Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.51 I 0.34 A 0.13 C Shift Assignments>> CE :: 16.682 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HE1 :: 2.057 HE2 :: 2.057 HE3 :: 2.057 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.11 L 0.09 H 0.09 Q 0.09 R 0.08 K 0.08 E 0.06 W 0.06 D 0.05 C 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> CA :: 56.049 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.11 Y 0.11 C 0.1 W 0.1 S 0.08 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.033 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.517 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.200 Ave N Shift Values>> N :: 116.28(3.52) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.1 F 0.1 Y 0.1 C 0.1 E 0.09 S 0.07 K 0.07 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.862 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.360 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.200 Ave N Shift Values>> N :: 116.28(3.52) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.19 A 0.16 D 0.15 L 0.09 M 0.06 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.01 C Shift Assignments>> CA :: 53.834 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.319 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.367 Ave N Shift Values>> N :: 120.65(3.86) 1.K7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.11 M 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.02 A 0.02 S 0.02 C Shift Assignments>> CA :: 55.812 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.147(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.499(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.76 C 0.22 A 0.01 HN Overlap>> 1.L33 1.L33 C Shift Assignments>> CA :: 55.461 CD1 :: 23.939 CD2 :: 24.457 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.763(D) HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 HD21 :: 0.674 HD22 :: 0.674 HD23 :: 0.674 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.053(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.18 D 0.15 A 0.15 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> CA :: 53.925 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 6.704(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 110.539(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.16 D 0.16 A 0.13 L 0.09 M 0.07 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 HN Overlap>> 1.K97 1.D100 1.K97 1.D100 C Shift Assignments>> CA :: 54.084 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.290(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.781(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.45 V 0.4 L 0.08 A 0.05 C Shift Assignments>> CA :: 58.094 CG1 :: 22.991 CG2 :: 20.162 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.878(D) HG11 :: 1.061 HG12 :: 1.061 HG13 :: 1.061 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.794(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.14 A 0.11 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.241 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.395(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.267(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 K 0.1 Q 0.09 H 0.09 E 0.08 M 0.07 W 0.07 C 0.06 F 0.06 Y 0.06 L 0.06 S 0.03 D 0.03 C Shift Assignments>> CA :: 56.812 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.798(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.383(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.18 D 0.15 A 0.15 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> CA :: 53.921 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.433(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.582(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.11 C 0.11 F 0.11 W 0.09 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> 1.K119 1.K119 C Shift Assignments>> CA :: 58.186 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.651(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.794(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.1 H 0.1 R 0.1 K 0.09 M 0.08 E 0.07 W 0.07 L 0.07 C 0.06 F 0.05 Y 0.05 D 0.03 S 0.03 N 0.01 C Shift Assignments>> CA :: 56.576 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.692(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.794(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 HN Overlap>> 1.S55 1.S55 C Shift Assignments>> CA :: 45.130 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.094(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.978(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 Q 0.09 R 0.09 L 0.09 K 0.08 E 0.06 W 0.06 C 0.06 D 0.05 F 0.05 Y 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.180 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.473(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.194(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.32 N 0.23 P 0.11 D 0.09 L 0.04 M 0.03 C 0.03 H 0.02 R 0.01 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> CA :: 51.704 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.773(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.894(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 Q 0.1 H 0.1 K 0.09 M 0.08 E 0.08 W 0.07 C 0.06 L 0.06 F 0.06 Y 0.06 D 0.03 S 0.03 N 0.01 C Shift Assignments>> CA :: 56.681 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.589(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.692(D) Ave N Shift Values>> N :: 116.28(3.52) 1.C21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 F 0.09 Y 0.09 E 0.09 C 0.09 K 0.08 R 0.07 S 0.06 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> CA :: 57.694 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.043(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 125.273(D) Ave N Shift Values>> N :: 120.17(4.64) 1.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.06 E 0.06 W 0.06 C 0.05 F 0.04 Y 0.04 N 0.02 S 0.02 A 0.02 C Shift Assignments>> CA :: 55.880 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.556(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.187(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.1 E 0.09 R 0.09 W 0.08 Q 0.08 H 0.08 C 0.07 F 0.07 Y 0.07 M 0.07 L 0.05 S 0.04 D 0.02 C Shift Assignments>> CA :: 57.076 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.954(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.212(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.04 M 0.03 V 0.02 T 0.02 L 0.01 HN Overlap>> 1.T95 1.T95 C Shift Assignments>> CA :: 58.788 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.159(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.990(D) Ave N Shift Values>> N :: 120.17(4.64) 1.S25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.21 T 0.16 V 0.15 C 0.1 S 0.06 F 0.06 Y 0.06 W 0.04 P 0.03 E 0.01 R 0.01 K 0.01 H 0.01 HN Overlap>> 1.M43 1.M43 C Shift Assignments>> CA :: 61.034 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.079(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.069(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.12 L 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 K 0.06 N 0.06 C 0.05 W 0.05 A 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 HN Overlap>> 1.K192 1.K192 C Shift Assignments>> CA :: 55.136 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.249(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.600(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 I 0.04 Q 0.04 M 0.03 V 0.02 T 0.02 L 0.01 C Shift Assignments>> CA :: 58.834 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.712(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.320(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.87 C 0.07 A 0.04 C Shift Assignments>> CA :: 58.173 CG2 :: 16.924 CD1 :: 15.157 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.420(D) HG21 :: 0.677 HG22 :: 0.677 HG23 :: 0.677 HD11 :: 0.322 HD12 :: 0.322 HD13 :: 0.322 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.595(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.23 T 0.21 I 0.17 P 0.15 S 0.1 C 0.04 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 62.579 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.11 Y 0.11 F 0.11 W 0.09 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 C Shift Assignments>> CA :: 58.209 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.712(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.063(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 W 0.09 K 0.09 R 0.08 F 0.08 C 0.08 Y 0.08 H 0.07 Q 0.07 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.374 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.131(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.020(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 Y 0.11 F 0.11 S 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.05 Q 0.04 M 0.03 I 0.02 L 0.02 V 0.01 T 0.01 HN Overlap>> 1.E70 1.E70 C Shift Assignments>> CA :: 58.427 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.906(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.746(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.64 C 0.31 K 0.02 R 0.01 HN Overlap>> 1.L8 1.L8 C Shift Assignments>> CA :: 55.794 CD1 :: 25.764 CD2 :: 25.202 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.808(D) HD11 :: 0.283 HD12 :: 0.283 HD13 :: 0.283 HD21 :: 0.454 HD22 :: 0.454 HD23 :: 0.454 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.097(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 A 0.21 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 C 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 HN Overlap>> 1.W79 1.W79 C Shift Assignments>> CA :: 53.495 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.076(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.588(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.M35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 A 0.44 C 0.01 C Shift Assignments>> CA :: 53.003 CE :: 15.890 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.521(D) HE1 :: 1.071 HE2 :: 1.071 HE3 :: 1.071 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.607(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.73 A 0.12 N 0.05 D 0.01 C 0.01 C Shift Assignments>> CA :: 49.299 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.440(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.494(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.97 M 0.01 C Shift Assignments>> CA :: 59.805 CD1 :: 13.164 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.849(D) HD11 :: 0.590 HD12 :: 0.590 HD13 :: 0.590 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.136(D) Ave N Shift Values>> N :: 121.46(4.28) 1.M38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.5 A 0.47 C 0.01 C Shift Assignments>> CA :: 52.292 CE :: 15.276 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.242(D) HE1 :: 1.550 HE2 :: 1.550 HE3 :: 1.550 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 125.094(D) Ave N Shift Values>> N :: 120.09(3.57) 1.V39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.64 C 0.33 A 0.01 C Shift Assignments>> CA :: 59.383 CG1 :: 20.850 CG2 :: 18.838 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.523(D) HG11 :: 0.548 HG12 :: 0.548 HG13 :: 0.548 HG21 :: 0.111 HG22 :: 0.111 HG23 :: 0.111 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.400(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 H 0.09 D 0.08 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> CA :: 55.578 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.402(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.935(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S41 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.22 T 0.19 P 0.19 I 0.15 S 0.13 C 0.04 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 62.881 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.M43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 H 0.09 D 0.08 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 HN Overlap>> 1.S25 1.S25 C Shift Assignments>> CA :: 55.596 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.014(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.094(D) Ave N Shift Values>> N :: 120.09(3.57) 1.F44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.15 L 0.11 M 0.09 N 0.08 H 0.07 Q 0.06 R 0.06 A 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> CA :: 54.826 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.038(D) HD1 :: 6.476 HD2 :: 6.476 HE1 :: 6.706 HE2 :: 6.706 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.285(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.27 N 0.23 D 0.12 L 0.07 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 53.162 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.373(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.794(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.36 L 0.27 R 0.2 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.234 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.382(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.990(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.17 D 0.15 A 0.14 L 0.09 M 0.07 H 0.06 R 0.05 Q 0.05 C 0.04 K 0.03 W 0.03 E 0.02 F 0.02 Y 0.02 HN Overlap>> 1.T95 1.T95 C Shift Assignments>> CA :: 54.030 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.049(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.894(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.4 C 0.34 V 0.23 L 0.01 C Shift Assignments>> CA :: 56.703 CG1 :: 21.503 CG2 :: 19.170 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.920(D) HG11 :: 0.608 HG12 :: 0.608 HG13 :: 0.608 HG21 :: 0.583 HG22 :: 0.583 HG23 :: 0.583 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.436(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.25 T 0.2 V 0.19 C 0.08 P 0.06 F 0.04 Y 0.04 S 0.04 W 0.03 E 0.01 C Shift Assignments>> CA :: 61.596 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.H50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.18 D 0.15 A 0.15 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> CA :: 53.907 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.678(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 124.294(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.09 E 0.09 R 0.09 W 0.08 Q 0.08 H 0.08 C 0.07 F 0.07 Y 0.07 M 0.06 L 0.05 S 0.04 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.129 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.756(D) HE1 :: 10.555 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.479(D) NE1 :: 130.090 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.09 L 0.09 Q 0.09 R 0.08 K 0.08 E 0.06 W 0.06 C 0.05 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> CA :: 56.066 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.313(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.163(D) Ave N Shift Values>> N :: 120.52(4.2) 1.H53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.08 W 0.08 V 0.05 T 0.05 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.604 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.838(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.763(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.24 S 0.21 V 0.19 T 0.16 I 0.12 C 0.03 HN Overlap>> 1.E205 1.E205 C Shift Assignments>> CA :: 63.458 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.501(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.038(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.22 T 0.17 V 0.16 C 0.09 S 0.05 F 0.05 Y 0.05 W 0.04 P 0.04 E 0.01 R 0.01 K 0.01 H 0.01 HN Overlap>> 1.G17 1.G17 C Shift Assignments>> CA :: 61.219 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.170(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 108.978(D) Ave N Shift Values>> N :: 116.28(3.52) 1.C56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.22 T 0.2 P 0.17 I 0.16 S 0.12 C 0.04 F 0.01 Y 0.01 W 0.01 C Shift Assignments>> CA :: 62.790 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.016(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.739(D) Ave N Shift Values>> N :: 120.17(4.64) 1.F57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.2 T 0.15 V 0.14 C 0.1 S 0.07 F 0.06 Y 0.06 W 0.05 P 0.02 E 0.02 R 0.01 K 0.01 H 0.01 Q 0.01 HN Overlap>> 1.L199 1.L199 C Shift Assignments>> CA :: 60.929 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.017(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.761(D) Ave N Shift Values>> N :: 120.45(4.18) 1.W58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 R 0.09 M 0.09 K 0.08 L 0.07 E 0.07 W 0.07 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.453 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.496(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 114.702(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 R 0.09 M 0.09 K 0.09 E 0.07 L 0.07 W 0.07 C 0.06 F 0.05 Y 0.05 D 0.03 S 0.03 N 0.01 C Shift Assignments>> CA :: 56.514 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.539(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.393(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.9 C 0.09 HN Overlap>> 1.V69 1.V69 C Shift Assignments>> CA :: 62.105 CG1 :: 21.123 CG2 :: 20.008 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.072(D) HG11 :: 0.640 HG12 :: 0.640 HG13 :: 0.640 HG21 :: 0.465 HG22 :: 0.465 HG23 :: 0.465 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.682(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.394 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.428(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.827(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 D 0.09 H 0.09 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.03 S 0.01 C Shift Assignments>> CA :: 55.540 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.560(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.294(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.1 R 0.09 E 0.09 Q 0.08 H 0.08 W 0.08 C 0.07 F 0.07 M 0.07 Y 0.07 L 0.05 S 0.04 D 0.02 C Shift Assignments>> CA :: 57.052 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.374(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.800(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.98 C Shift Assignments>> CA :: 60.192 CD1 :: 12.851 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.765(D) HD11 :: 0.027 HD12 :: 0.027 HD13 :: 0.027 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 125.724(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 K 0.09 Q 0.09 H 0.09 E 0.08 M 0.08 W 0.07 C 0.06 F 0.06 Y 0.06 L 0.06 S 0.03 D 0.03 C Shift Assignments>> CA :: 56.787 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.989(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.352(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.H66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.23 D 0.1 P 0.08 L 0.04 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> CA :: 51.801 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.828(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 115.852(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.24 S 0.24 T 0.18 P 0.15 I 0.13 C 0.02 C Shift Assignments>> CA :: 65.218 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.D68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.14 L 0.12 M 0.09 H 0.07 N 0.07 Q 0.07 R 0.06 A 0.05 K 0.05 C 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 54.924 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.534(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 110.757(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.91 C 0.08 HN Overlap>> 1.V60 1.V60 C Shift Assignments>> CA :: 62.228 CG1 :: 21.123 CG2 :: 20.424 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.165(D) HG11 :: 0.913 HG12 :: 0.913 HG13 :: 0.913 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.622(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 W 0.1 K 0.08 F 0.08 C 0.08 Y 0.08 R 0.08 H 0.07 Q 0.07 M 0.05 S 0.05 L 0.04 D 0.01 I 0.01 HN Overlap>> 1.S32 1.S32 C Shift Assignments>> CA :: 57.436 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.841(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.759(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.74 C 0.21 L 0.03 C Shift Assignments>> CA :: 60.245 CG1 :: 22.555 CG2 :: 21.645 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.807(D) HG11 :: 0.824 HG12 :: 0.824 HG13 :: 0.824 HG21 :: 0.787 HG22 :: 0.787 HG23 :: 0.787 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.015(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 D 0.07 K 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> CA :: 55.707 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.015(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 131.432(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.920 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.675(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.946(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.24 V 0.22 I 0.2 P 0.11 S 0.06 C 0.05 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> CA :: 62.193 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.634(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.533(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.13 C 0.12 S 0.1 T 0.09 V 0.09 Y 0.09 F 0.09 W 0.07 E 0.03 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 C Shift Assignments>> CA :: 60.174 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.686(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 109.154(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.07 E 0.06 D 0.06 W 0.06 C 0.05 F 0.05 Y 0.04 N 0.02 S 0.02 A 0.01 C Shift Assignments>> CA :: 55.987 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.404(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.000(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.51 L 0.26 C 0.21 C Shift Assignments>> CA :: 53.829 CD1 :: 25.535 CD2 :: 21.061 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.058(D) HD11 :: 0.498 HD12 :: 0.498 HD13 :: 0.498 HD21 :: 0.195 HD22 :: 0.195 HD23 :: 0.195 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.235(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.1 R 0.09 E 0.09 Q 0.08 H 0.08 W 0.08 C 0.07 M 0.07 F 0.07 Y 0.06 L 0.05 S 0.04 D 0.02 C Shift Assignments>> CA :: 57.014 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.618(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.006(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.W79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 T 0.21 V 0.19 C 0.07 P 0.07 F 0.04 Y 0.03 S 0.03 W 0.03 HN Overlap>> 1.R34 1.R34 C Shift Assignments>> CA :: 61.693 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.117(D) HE1 :: 10.143 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 124.564(D) NE1 :: 129.472 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 K 0.1 Q 0.09 H 0.09 E 0.08 M 0.07 W 0.07 C 0.06 F 0.06 Y 0.06 L 0.06 S 0.03 D 0.03 C Shift Assignments>> CA :: 56.821 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.008(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.485(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.1 H 0.1 R 0.1 K 0.09 M 0.08 E 0.07 W 0.07 L 0.06 C 0.06 F 0.06 Y 0.05 D 0.03 S 0.03 N 0.01 C Shift Assignments>> CA :: 56.611 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.212(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.725(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.13 Y 0.1 F 0.1 W 0.08 I 0.07 E 0.05 V 0.04 T 0.04 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.376 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.113(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.276(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 E 0.09 F 0.09 C 0.08 Y 0.08 K 0.08 R 0.08 H 0.07 Q 0.07 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 C Shift Assignments>> CA :: 57.550 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.598(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.743(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.13 Y 0.1 F 0.1 W 0.08 I 0.06 E 0.05 K 0.04 V 0.04 R 0.04 T 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.337 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.580(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.052(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.96 C 0.03 C Shift Assignments>> CA :: 67.173 CG1 :: 23.261 CG2 :: 21.496 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.460(D) HG11 :: 1.215 HG12 :: 1.215 HG13 :: 1.215 HG21 :: 1.170 HG22 :: 1.170 HG23 :: 1.170 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.053(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.14 C 0.12 T 0.1 V 0.1 S 0.1 F 0.08 Y 0.08 W 0.07 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 M 0.01 P 0.01 C Shift Assignments>> CA :: 60.312 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.280(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.221(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 S 0.11 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.05 Q 0.04 M 0.03 I 0.03 L 0.02 V 0.02 T 0.01 C Shift Assignments>> CA :: 58.507 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.643(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.522(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.31 T 0.2 S 0.18 I 0.14 P 0.1 C 0.02 HN Overlap>> 1.L170 1.L170 C Shift Assignments>> CA :: 66.081 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.837(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.017(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.14 A 0.12 L 0.1 M 0.07 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.197 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.830(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.210(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 F 0.1 Y 0.1 C 0.1 E 0.09 S 0.07 K 0.07 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.866 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.712(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.765(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 P 0.01 Y 0.01 C Shift Assignments>> CA :: 52.512 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.473(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.568(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.896(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.372(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.46 L 0.25 R 0.15 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.404 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.772(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.355(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.9 C 0.09 C Shift Assignments>> CA :: 61.921 CG1 :: 21.265 CG2 :: 20.529 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.838(D) HG11 :: 0.961 HG12 :: 0.961 HG13 :: 0.961 HG21 :: 0.963 HG22 :: 0.963 HG23 :: 0.963 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.147(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.24 T 0.2 V 0.18 C 0.08 P 0.06 F 0.04 Y 0.04 S 0.04 W 0.03 E 0.01 HN Overlap>> 1.C24 1.C24 1.K47 1.K47 C Shift Assignments>> CA :: 61.544 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.147(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.905(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.69 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.858 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.318(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.815(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.06 E 0.06 W 0.06 C 0.05 F 0.04 Y 0.04 N 0.02 S 0.02 A 0.01 HN Overlap>> 1.R10 1.R10 C Shift Assignments>> CA :: 55.966 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.245(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.781(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 45.016 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.485(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.911(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 D 0.09 H 0.09 Q 0.08 R 0.07 K 0.06 W 0.05 C 0.05 E 0.05 F 0.04 N 0.04 Y 0.04 A 0.03 S 0.01 C Shift Assignments>> CA :: 55.478 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.291(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.745(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.14 A 0.11 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 HN Overlap>> 1.R10 1.R10 C Shift Assignments>> CA :: 54.258 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.372(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.767(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.087 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.273(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.642(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.97 C 0.02 C Shift Assignments>> CA :: 61.114 CG2 :: 16.794 CD1 :: 12.780 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.990(D) HG21 :: 0.890 HG22 :: 0.890 HG23 :: 0.890 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.653(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.990 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.517(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.288(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.11 F 0.11 C 0.11 W 0.1 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.120 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.163 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.552 Ave N Shift Values>> N :: 116.28(3.52) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.11 H 0.09 L 0.09 Q 0.09 R 0.08 K 0.08 E 0.06 W 0.06 C 0.05 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> CA :: 56.058 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.337 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.601 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.24 D 0.11 L 0.05 M 0.04 C 0.03 H 0.03 P 0.02 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 HN Overlap>> 1.I132 1.I132 C Shift Assignments>> CA :: 52.213 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.153(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.219(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.11 M 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.02 A 0.02 S 0.01 C Shift Assignments>> CA :: 55.794 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.239(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.472(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 M 0.1 R 0.09 K 0.08 L 0.07 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.383 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.605(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.677(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.23 V 0.21 I 0.21 P 0.09 C 0.06 S 0.05 F 0.03 Y 0.02 W 0.02 C Shift Assignments>> CA :: 62.041 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.021(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.958(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.42 A 0.35 L 0.21 C Shift Assignments>> CA :: 54.258 CD1 :: 21.921 CD2 :: 26.387 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.920(D) HD11 :: 0.451 HD12 :: 0.451 HD13 :: 0.451 HD21 :: 0.404 HD22 :: 0.404 HD23 :: 0.404 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.056(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.622 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.418(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.863(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.23 A 0.2 D 0.13 L 0.08 M 0.06 H 0.04 R 0.03 Q 0.03 C 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> CA :: 53.565 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.680(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.365(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 Q 0.09 L 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.05 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> CA :: 56.112 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.232(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.749(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.65 A 0.15 N 0.08 D 0.03 C 0.01 L 0.01 C Shift Assignments>> CA :: 50.537 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.392(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.603(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.75 A 0.11 N 0.06 D 0.02 C 0.01 HN Overlap>> 1.T124 1.T124 C Shift Assignments>> CA :: 50.203 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.616(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.473(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.16 N 0.13 A 0.1 L 0.1 M 0.08 H 0.06 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.311 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.695(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.847(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 F 0.1 Y 0.09 C 0.09 E 0.09 K 0.07 R 0.07 S 0.07 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> CA :: 57.752 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.921(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.299(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 A 0.23 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 C 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> CA :: 53.372 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.290(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.586(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.11 F 0.11 C 0.11 W 0.1 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> 1.K15 1.K15 C Shift Assignments>> CA :: 58.120 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.659(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.852(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.1 R 0.09 E 0.09 Q 0.08 H 0.08 W 0.08 C 0.07 M 0.07 F 0.07 Y 0.06 L 0.05 S 0.04 D 0.02 C Shift Assignments>> CA :: 56.997 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.548(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.350(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 R 0.09 M 0.09 K 0.09 E 0.07 L 0.07 W 0.07 C 0.06 F 0.05 Y 0.05 D 0.03 S 0.03 N 0.01 C Shift Assignments>> CA :: 56.532 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.653(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.994(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 E 0.09 F 0.09 Y 0.09 C 0.09 K 0.08 R 0.07 H 0.07 Q 0.06 S 0.06 M 0.05 L 0.03 D 0.01 I 0.01 C Shift Assignments>> CA :: 57.611 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.424(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.994(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.25 T 0.2 V 0.19 C 0.07 P 0.06 F 0.04 Y 0.04 S 0.03 W 0.03 HN Overlap>> 1.A115 1.A115 C Shift Assignments>> CA :: 61.652 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.685(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.394(D) Ave N Shift Values>> N :: 115.42(4.75) 1.C125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 K 0.09 W 0.09 R 0.09 Q 0.08 H 0.08 C 0.07 F 0.07 Y 0.07 M 0.06 S 0.04 L 0.04 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.197 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.332(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.502(D) Ave N Shift Values>> N :: 120.17(4.64) 1.K126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.12 L 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 K 0.06 N 0.06 C 0.05 W 0.05 A 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 55.136 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.638(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.394(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.534 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.154(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.594(D) Ave N Shift Values>> N :: 109.67(3.87) 1.C128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.11 F 0.11 C 0.11 W 0.09 S 0.09 E 0.08 K 0.06 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 HN Overlap>> 1.V213 1.V213 C Shift Assignments>> CA :: 58.163 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.103(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.591(D) Ave N Shift Values>> N :: 120.17(4.64) 1.M129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 R 0.09 M 0.09 K 0.09 E 0.07 L 0.07 W 0.07 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.03 N 0.01 C Shift Assignments>> CA :: 56.505 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.163(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.296(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 L 0.11 N 0.1 A 0.08 M 0.08 H 0.07 Q 0.06 R 0.06 K 0.04 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 54.534 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.310(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.063(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.08 E 0.06 W 0.06 D 0.06 C 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> CA :: 56.014 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.625(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.472(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.97 C 0.02 HN Overlap>> 1.A106 1.A106 C Shift Assignments>> CA :: 60.376 CG2 :: 16.828 CD1 :: 13.643 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.119(D) HG21 :: 0.692 HG22 :: 0.692 HG23 :: 0.692 HD11 :: 0.384 HD12 :: 0.384 HD13 :: 0.384 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.241(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 H 0.1 Q 0.09 R 0.09 L 0.09 K 0.08 E 0.06 W 0.06 C 0.06 F 0.05 D 0.05 Y 0.05 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.198 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.721(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.930(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 Y 0.1 C 0.1 W 0.1 E 0.08 S 0.08 K 0.07 R 0.06 H 0.06 Q 0.05 M 0.04 L 0.03 I 0.02 V 0.01 D 0.01 T 0.01 C Shift Assignments>> CA :: 57.971 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.273(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.211(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.65 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.779 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.810(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.703(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.11 L 0.11 A 0.09 M 0.08 H 0.07 Q 0.06 R 0.06 K 0.04 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 54.504 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.649(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.199(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.79 C 0.2 C Shift Assignments>> CA :: 64.089 CG1 :: 23.892 CG2 :: 21.873 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.846(D) HG11 :: 0.888 HG12 :: 0.888 HG13 :: 0.888 HG21 :: 0.728 HG22 :: 0.728 HG23 :: 0.728 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.636(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.26 N 0.23 D 0.12 L 0.07 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 53.214 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.923(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.470(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.82 C 0.16 A 0.01 C Shift Assignments>> CA :: 52.424 CD1 :: 24.965 CD2 :: 24.805 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.080(D) HD11 :: 0.361 HD12 :: 0.361 HD13 :: 0.361 HD21 :: 0.324 HD22 :: 0.324 HD23 :: 0.324 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.615(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 N 0.11 L 0.11 A 0.09 M 0.08 H 0.07 Q 0.06 R 0.06 K 0.04 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 54.504 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.278(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.766(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 L 0.11 N 0.09 M 0.09 A 0.07 H 0.07 Q 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 54.680 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.840(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.714(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 L 0.11 N 0.11 A 0.08 M 0.08 H 0.07 Q 0.06 R 0.06 K 0.04 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 54.522 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.063(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.494(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.65 A 0.3 I 0.02 C 0.01 C Shift Assignments>> CA :: 54.675 CE :: 16.855 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.804(D) HE1 :: 2.014 HE2 :: 2.014 HE3 :: 2.014 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.894(D) Ave N Shift Values>> N :: 120.09(3.57) 1.V144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.89 C 0.1 C Shift Assignments>> CA :: 61.645 CG1 :: 21.596 CG2 :: 20.931 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.193(D) HG11 :: 0.691 HG12 :: 0.691 HG13 :: 0.691 HG21 :: 0.711 HG22 :: 0.711 HG23 :: 0.711 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.028(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.74 A 0.11 N 0.06 D 0.02 C 0.01 C Shift Assignments>> CA :: 50.326 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.811(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 131.694(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.28 P 0.2 V 0.19 T 0.15 I 0.11 C 0.02 C Shift Assignments>> CA :: 64.107 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.108 HB2 :: 1.934 HB3 :: 2.253 HG2 :: 2.024 HG3 :: 2.024 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 R 0.09 K 0.09 M 0.09 E 0.07 L 0.07 W 0.07 C 0.06 F 0.05 Y 0.05 D 0.03 S 0.03 N 0.01 C Shift Assignments>> CA :: 56.541 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.320(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.294(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.28 N 0.23 D 0.12 L 0.06 M 0.05 H 0.04 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 53.097 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.660(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.929(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.26 V 0.22 P 0.17 T 0.17 I 0.12 C 0.02 C Shift Assignments>> CA :: 64.886 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.233 HB2 :: 1.817 HB3 :: 1.966 HG2 :: 1.877 HG3 :: 1.877 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.1 R 0.1 Q 0.09 H 0.09 E 0.08 W 0.08 M 0.07 C 0.07 F 0.06 Y 0.06 L 0.05 S 0.03 D 0.02 C Shift Assignments>> CA :: 56.883 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.378(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.531(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.49 L 0.27 C 0.22 C Shift Assignments>> CA :: 54.333 CD1 :: 25.010 CD2 :: 20.878 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.142(D) HD11 :: 0.238 HD12 :: 0.238 HD13 :: 0.238 HD21 :: 0.352 HD22 :: 0.352 HD23 :: 0.352 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.441(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.38 L 0.27 R 0.19 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.272 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.441(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.991(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.67 A 0.25 I 0.05 C 0.02 HN Overlap>> 1.D211 1.D211 C Shift Assignments>> CA :: 55.456 CE :: 17.435 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.224(D) HE1 :: 1.845 HE2 :: 1.845 HE3 :: 1.845 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.094(D) Ave N Shift Values>> N :: 120.09(3.57) 1.I154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.86 M 0.11 C 0.01 C Shift Assignments>> CA :: 58.867 CD1 :: 14.051 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.168(D) HD11 :: 0.475 HD12 :: 0.475 HD13 :: 0.475 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.419(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.11 M 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.02 A 0.02 S 0.02 C Shift Assignments>> CA :: 55.803 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.966(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.739(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.17 L 0.11 N 0.09 M 0.09 A 0.07 H 0.07 Q 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 54.689 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.803(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.603(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.W157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 K 0.09 Q 0.09 H 0.09 E 0.08 M 0.08 W 0.07 C 0.06 F 0.06 L 0.06 Y 0.06 S 0.03 D 0.03 C Shift Assignments>> CA :: 56.769 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.527(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.394(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 M 0.09 R 0.09 K 0.08 L 0.07 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.389 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.752(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.400(D) Ave N Shift Values>> N :: 120.52(4.2) 1.H159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 W 0.09 K 0.09 R 0.08 C 0.08 F 0.08 Y 0.08 H 0.07 Q 0.07 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.330 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.511(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.603(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.36 V 0.35 I 0.13 S 0.08 P 0.04 C 0.02 C Shift Assignments>> CA :: 67.118 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.096 HB3 :: 2.148 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> CA :: 46.543 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.233(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.275(D) Ave N Shift Values>> N :: 109.67(3.87) 1.C162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.24 V 0.22 I 0.2 P 0.1 S 0.06 C 0.06 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> CA :: 62.166 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.172(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.207(D) Ave N Shift Values>> N :: 120.17(4.64) 1.F163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.19 T 0.14 V 0.14 C 0.11 S 0.07 F 0.07 Y 0.07 W 0.05 P 0.02 E 0.02 R 0.01 K 0.01 H 0.01 Q 0.01 C Shift Assignments>> CA :: 60.820 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.659(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.835(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.95 C 0.03 HN Overlap>> 1.E193 1.E193 C Shift Assignments>> CA :: 66.673 CG1 :: 23.135 CG2 :: 21.388 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.235(D) HG11 :: 1.166 HG12 :: 1.166 HG13 :: 1.166 HG21 :: 1.093 HG22 :: 1.093 HG23 :: 1.093 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.858(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.03 M 0.03 V 0.02 T 0.02 L 0.01 C Shift Assignments>> CA :: 58.727 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.511(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.473(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.31 N 0.24 D 0.12 L 0.06 M 0.04 H 0.03 C 0.03 R 0.02 Q 0.02 W 0.02 K 0.01 F 0.01 Y 0.01 C Shift Assignments>> CA :: 52.635 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.171(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.649(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.16 C 0.12 T 0.12 V 0.11 S 0.09 F 0.08 Y 0.08 W 0.06 E 0.03 K 0.02 R 0.02 H 0.02 Q 0.01 P 0.01 M 0.01 C Shift Assignments>> CA :: 60.481 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.119(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.145(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.1 W 0.09 E 0.06 I 0.05 K 0.05 R 0.04 H 0.04 Q 0.03 V 0.03 T 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.103 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.424(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.509(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.04 H 0.04 Q 0.04 M 0.03 V 0.03 T 0.02 L 0.01 HN Overlap>> 1.R208 1.K209 1.R208 1.K209 C Shift Assignments>> CA :: 58.892 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.395(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.739(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L170 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.43 C 0.34 A 0.21 HN Overlap>> 1.T88 1.T88 C Shift Assignments>> CA :: 54.925 CD1 :: 22.037 CD2 :: 25.017 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.761(D) HD11 :: 0.707 HD12 :: 0.707 HD13 :: 0.707 HD21 :: -0.385(S) HD22 :: -0.385(S) HD23 :: -0.385(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.955(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.188 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.734(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.618(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 F 0.09 Y 0.09 C 0.09 E 0.09 K 0.08 R 0.07 S 0.07 H 0.06 Q 0.06 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> CA :: 57.734 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.125(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.738(D) Ave N Shift Values>> N :: 120.45(4.18) 1.R173 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.12 D 0.12 M 0.1 H 0.08 Q 0.07 R 0.07 K 0.06 N 0.05 C 0.05 W 0.05 A 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 55.154 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 5.925(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.794(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.P174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.24 V 0.24 T 0.17 P 0.15 I 0.12 C 0.02 C Shift Assignments>> CA :: 65.163 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.175 HB2 :: 1.785 HB3 :: 2.295 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.1 R 0.09 Q 0.09 E 0.09 H 0.09 W 0.08 M 0.07 C 0.07 F 0.06 Y 0.06 L 0.05 S 0.04 D 0.02 C Shift Assignments>> CA :: 56.944 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.966(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 112.619(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.29 N 0.23 D 0.12 L 0.06 M 0.05 H 0.03 C 0.03 R 0.03 Q 0.02 K 0.02 W 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 52.993 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.514(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.386(D) Ave N Shift Values>> N :: 120.52(4.2) 1.S177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 D 0.1 H 0.08 Q 0.08 R 0.07 K 0.06 C 0.05 W 0.05 E 0.05 N 0.04 F 0.04 Y 0.03 A 0.03 S 0.01 C Shift Assignments>> CA :: 55.415 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.126(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.252(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.18 D 0.15 A 0.14 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 C Shift Assignments>> CA :: 53.959 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.449(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.897(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.04 H 0.04 Q 0.04 M 0.03 V 0.03 T 0.02 L 0.01 C Shift Assignments>> CA :: 58.892 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.450(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 106.363(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.06 E 0.06 W 0.06 C 0.05 F 0.04 Y 0.04 N 0.02 S 0.02 A 0.01 C Shift Assignments>> CA :: 55.953 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.598(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.340(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.54 C 0.32 K 0.11 R 0.01 C Shift Assignments>> CA :: 55.136 CD1 :: 26.640 CD2 :: 24.492 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.652(D) HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 HD21 :: 0.580 HD22 :: 0.580 HD23 :: 0.580 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.508(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.05 R 0.05 H 0.04 Q 0.04 I 0.03 M 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> CA :: 58.640 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.088(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.519(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.71 L 0.16 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.902 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.929(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.965(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.25 T 0.2 V 0.19 C 0.08 P 0.06 F 0.04 Y 0.04 S 0.04 W 0.03 E 0.01 C Shift Assignments>> CA :: 61.614 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.162(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.827(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 T 0.12 V 0.12 C 0.12 S 0.08 F 0.08 Y 0.08 W 0.06 E 0.02 R 0.02 K 0.02 H 0.01 P 0.01 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.578 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.495(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 107.653(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.67 C 0.22 A 0.09 C Shift Assignments>> CA :: 54.698 CD1 :: 25.160 CD2 :: 22.555 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.401(D) HD11 :: 1.036 HD12 :: 1.036 HD13 :: 1.036 HD21 :: 0.913 HD22 :: 0.913 HD23 :: 0.913 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.838(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L187 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.39 A 0.3 C 0.29 C Shift Assignments>> CA :: 54.130 CD1 :: 26.332 CD2 :: 21.805 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.232(D) HD11 :: 0.390 HD12 :: 0.390 HD13 :: 0.390 HD21 :: 0.050 HD22 :: 0.050 HD23 :: 0.050 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.799(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.33 N 0.23 P 0.1 D 0.1 L 0.04 M 0.03 C 0.03 H 0.02 R 0.02 Q 0.01 W 0.01 K 0.01 C Shift Assignments>> CA :: 51.748 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.753(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.252(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.42 T 0.23 I 0.15 S 0.1 P 0.05 C 0.03 C Shift Assignments>> CA :: 67.109 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.860(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.939(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.08 W 0.08 T 0.06 V 0.06 E 0.05 K 0.04 R 0.04 H 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.648 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.627(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.485(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D191 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.1 R 0.09 E 0.09 Q 0.08 H 0.08 W 0.08 C 0.07 M 0.07 F 0.07 Y 0.06 L 0.05 S 0.04 D 0.02 C Shift Assignments>> CA :: 57.005 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.103(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.581(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K192 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 I 0.12 S 0.11 Y 0.09 F 0.09 T 0.08 V 0.08 W 0.07 E 0.04 K 0.03 R 0.03 H 0.02 Q 0.02 M 0.01 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> CA :: 60.087 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.213(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.596(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E193 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.12 S 0.11 Y 0.11 F 0.11 W 0.09 E 0.07 K 0.06 R 0.05 H 0.05 Q 0.04 M 0.03 I 0.03 L 0.02 V 0.02 T 0.01 HN Overlap>> 1.V164 1.V164 C Shift Assignments>> CA :: 58.510 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.218(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.800(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A194 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.15 L 0.11 M 0.09 N 0.08 H 0.07 Q 0.06 A 0.06 R 0.06 K 0.05 C 0.04 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> CA :: 54.811 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.627(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.240(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L195 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 L 0.46 K 0.01 C Shift Assignments>> CA :: 57.254 CD1 :: 23.353 CD2 :: 25.895 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.075(D) HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.009(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K196 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.13 S 0.13 Y 0.1 F 0.1 W 0.08 I 0.07 E 0.05 V 0.05 T 0.05 K 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.454 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.421(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.919(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K197 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.11 Y 0.11 C 0.11 W 0.1 S 0.08 E 0.08 K 0.07 R 0.06 H 0.05 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.085 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.322(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.298(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q198 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.1 W 0.09 K 0.09 R 0.08 C 0.08 F 0.08 H 0.07 Q 0.07 Y 0.07 M 0.06 S 0.05 L 0.04 D 0.02 I 0.01 C Shift Assignments>> CA :: 57.281 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.315(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.826(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L199 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.68 C 0.25 A 0.06 HN Overlap>> 1.F57 1.F57 C Shift Assignments>> CA :: 51.380 CD1 :: 24.067 CD2 :: 25.699 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.025(D) HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 HD21 :: 0.493 HD22 :: 0.493 HD23 :: 0.493 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.828(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.23 S 0.22 V 0.18 T 0.16 I 0.12 C 0.03 C Shift Assignments>> CA :: 63.527 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.G201 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.4 L 0.27 R 0.18 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> CA :: 44.297 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.370(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.409(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V202 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.23 T 0.18 V 0.17 C 0.09 S 0.05 F 0.05 Y 0.05 P 0.04 W 0.04 E 0.01 R 0.01 K 0.01 C Shift Assignments>> CA :: 61.298 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.050(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.044(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K203 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 H 0.09 Q 0.08 D 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> CA :: 55.636 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.350(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.891(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S204 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.1 F 0.1 Y 0.1 C 0.1 E 0.09 K 0.07 S 0.07 R 0.07 H 0.06 Q 0.06 M 0.04 L 0.03 I 0.01 D 0.01 V 0.01 T 0.01 C Shift Assignments>> CA :: 57.849 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.375(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.895(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E205 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.1 H 0.1 Q 0.1 R 0.09 L 0.08 K 0.08 E 0.06 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.05 S 0.02 N 0.01 A 0.01 HN Overlap>> 1.F54 1.F54 C Shift Assignments>> CA :: 56.237 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.516(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.136(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G206 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.69 L 0.16 R 0.05 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.867 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.378(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.546(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K207 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 D 0.08 K 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> CA :: 55.675 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.120(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.795(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R208 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 H 0.09 Q 0.08 D 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 HN Overlap>> 1.E169 1.E169 1.K209 1.K209 C Shift Assignments>> CA :: 55.610 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.403(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.719(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K209 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.1 H 0.1 Q 0.1 R 0.09 K 0.08 L 0.08 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 HN Overlap>> 1.E169 1.R208 1.E169 1.R208 C Shift Assignments>> CA :: 56.294 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.344 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.771 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G210 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.060 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.587(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.488(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D211 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.18 D 0.15 A 0.15 L 0.09 M 0.07 H 0.05 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 HN Overlap>> 1.M153 1.M153 C Shift Assignments>> CA :: 53.933 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.192(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.011(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E212 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.1 Q 0.1 R 0.09 M 0.09 K 0.08 L 0.07 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.435 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.386(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.328(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V213 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.88 C 0.11 HN Overlap>> 1.C128 1.C128 C Shift Assignments>> CA :: 61.539 CG1 :: 20.918 CG2 :: 19.878 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.070(D) HG11 :: 0.882 HG12 :: 0.882 HG13 :: 0.882 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.504(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D214 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.13 M 0.1 H 0.09 D 0.08 Q 0.08 R 0.08 K 0.07 W 0.05 C 0.05 E 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> CA :: 55.594 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.919(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 128.466(D) Ave N Shift Values>> N :: 120.65(3.86) 2.DG1 Overall Status: Residue type DG not supported. 2.DC2 Overall Status: Residue type DC not supported. 2.DT3 Overall Status: Residue type DT not supported. 2.DG4 Overall Status: Residue type DG not supported. 2.DG5 Overall Status: Residue type DG not supported. 2.DC6 Overall Status: Residue type DC not supported. 2.DT7 Overall Status: Residue type DT not supported. 2.DT8 Overall Status: Residue type DT not supported. 2.DC9 Overall Status: Residue type DC not supported. 2.DG10 Overall Status: Residue type DG not supported. 2.DT11 Overall Status: Residue type DT not supported. 2.DA12 Overall Status: Residue type DA not supported. 2.DA13 Overall Status: Residue type DA not supported. 2.DG14 Overall Status: Residue type DG not supported. 2.DA15 Overall Status: Residue type DA not supported. 2.DA16 Overall Status: Residue type DA not supported. 2.DG17 Overall Status: Residue type DG not supported. 2.DC18 Overall Status: Residue type DC not supported. 2.DC19 Overall Status: Residue type DC not supported. 2.DA20 Overall Status: Residue type DA not supported. 2.DG21 Overall Status: Residue type DG not supported. 2.DC22 Overall Status: Residue type DC not supported. 2.DT23 Overall Status: Residue type DT not supported. 2.DC24 Overall Status: Residue type DC not supported. 2.DG25 Overall Status: Residue type DG not supported. 2.DC26 Overall Status: Residue type DC not supported. 2.DG27 Overall Status: Residue type DG not supported. 2.DG28 Overall Status: Residue type DG not supported. 2.DT29 Overall Status: Residue type DT not supported. 2.DC30 Overall Status: Residue type DC not supported. 2.DA31 Overall Status: Residue type DA not supported. 2.DG32 Overall Status: Residue type DG not supported. 2.DC33 Overall Status: Residue type DC not supported. 2.DT34 Overall Status: Residue type DT not supported. 2.DT35 Overall Status: Residue type DT not supported. 2.DG36 Overall Status: Residue type DG not supported. 2.DC37 Overall Status: Residue type DC not supported. 2.DT38 Overall Status: Residue type DT not supported. 2.DG39 Overall Status: Residue type DG not supported. 2.DA40 Overall Status: Residue type DA not supported. 2.DC41 Overall Status: Residue type DC not supported. 2.DC42 Overall Status: Residue type DC not supported. 2.DG43 Overall Status: Residue type DG not supported. 2.DC44 Overall Status: Residue type DC not supported. 2.DG45 Overall Status: Residue type DG not supported. 3.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 20 #Clerical: 192 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 211 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 214 #Suspicious: 0 C Shift Results: #Consistent: 272 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 210 #Duplicate: 193 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 8 #Duplicate: 194 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K7 H = 8.147(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.4287e-01 1.K7 N = 120.499(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.8380e-01 1.L8 H = 8.763(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.1222e-01 1.L8 N = 123.053(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.5968e-01 1.Y9 H = 6.704(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.6850e-02 1.Y9 N = 110.539(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.7481e-02 1.R10 H = 8.290(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.3467e-01 1.R10 N = 120.781(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.9588e-01 1.V11 H = 8.878(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.8015e-01 1.V11 N = 122.794(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.1562e-01 1.E12 H = 8.395(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.1228e-01 1.E12 N = 119.267(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.8683e-01 1.Y13 H = 7.798(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.7457e-01 1.Y13 N = 118.383(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.1089e-01 1.A14 H = 9.433(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.9879e-02 1.A14 N = 125.582(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.0643e-01 1.K15 H = 6.651(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.0318e-02 1.K15 N = 121.794(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.4356e-01 1.S16 H = 7.692(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.1895e-01 1.S16 N = 112.794(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.2201e-01 1.G17 H = 9.094(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.3984e-01 1.G17 N = 108.978(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5809e-01 1.R18 H = 8.473(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.0249e-01 1.R18 N = 115.194(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.2767e-01 1.A19 H = 8.773(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.3958e-01 1.A19 N = 123.894(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5121e-01 1.S20 H = 8.589(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.0047e-01 1.S20 N = 116.692(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.0682e-01 1.C21 H = 8.043(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.0452e-01 1.C21 N = 125.273(D), Expected = 120.17, Std = 4.6400, ChiSquare = 2.7143e-01 1.K22 H = 8.556(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.4186e-01 1.K22 N = 128.187(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.8344e-02 1.K23 H = 8.954(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.0290e-01 1.K23 N = 121.212(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.6572e-01 1.C24 H = 8.159(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.3026e-01 1.C24 N = 116.990(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.9313e-01 1.S25 H = 8.079(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3335e-01 1.S25 N = 116.069(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5220e-01 1.E26 H = 8.249(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.9080e-01 1.E26 N = 120.600(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.8395e-01 1.S27 H = 8.712(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.6404e-01 1.S27 N = 116.320(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.9093e-01 1.I28 H = 8.420(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.3688e-01 1.I28 N = 126.595(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.3023e-01 1.K30 H = 8.712(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.8430e-01 1.K30 N = 125.063(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.8712e-01 1.D31 H = 9.131(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.5692e-01 1.D31 N = 120.020(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7035e-01 1.S32 H = 7.906(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.2615e-01 1.S32 N = 115.746(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.7942e-01 1.L33 H = 8.808(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.7388e-01 1.L33 N = 123.097(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.5111e-01 1.R34 H = 9.076(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.7053e-01 1.R34 N = 124.588(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.0332e-01 1.M35 H = 8.521(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.6356e-01 1.M35 N = 118.607(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.7784e-01 1.A36 H = 9.440(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.8766e-02 1.A36 N = 123.494(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4055e-01 1.I37 H = 7.849(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.2620e-01 1.I37 N = 116.136(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.1353e-01 1.M38 H = 8.242(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.7607e-01 1.M38 N = 125.094(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.6101e-01 1.V39 H = 8.523(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.2802e-01 1.V39 N = 121.400(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.5433e-01 1.Q40 H = 8.402(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.5772e-01 1.Q40 N = 123.935(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.6118e-01 1.M43 H = 8.014(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.8181e-01 1.M43 N = 116.094(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.6300e-01 1.F44 H = 7.038(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.6341e-02 1.F44 N = 115.285(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.1659e-01 1.D45 H = 8.373(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.1350e-01 1.D45 N = 118.794(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.3064e-01 1.G46 H = 7.382(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.4471e-01 1.G46 N = 110.990(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.3304e-01 1.K47 H = 8.049(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.1421e-01 1.K47 N = 116.894(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.7029e-01 1.V48 H = 8.920(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.4706e-01 1.V48 N = 116.436(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.0014e-01 1.H50 H = 8.678(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.1950e-01 1.H50 N = 124.294(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.4973e-01 1.W51 H = 8.756(D), Expected = 8.29, Std = 0.7900, ChiSquare = 5.5528e-01 1.W51 N = 121.479(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.6165e-01 1.Y52 H = 9.313(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.7374e-01 1.Y52 N = 114.163(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.3013e-01 1.H53 H = 8.838(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.7918e-01 1.H53 N = 118.763(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.1673e-01 1.F54 H = 8.501(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.4474e-01 1.F54 N = 123.038(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.3582e-01 1.S55 H = 9.170(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.3143e-01 1.S55 N = 108.978(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.8039e-02 1.C56 H = 7.016(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.0292e-02 1.C56 N = 119.739(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.2599e-01 1.F57 H = 8.017(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.3380e-01 1.F57 N = 117.761(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.2003e-01 1.W58 H = 6.496(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.3154e-02 1.W58 N = 114.702(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.5042e-02 1.K59 H = 7.539(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.7792e-01 1.K59 N = 117.393(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.3203e-01 1.V60 H = 7.072(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.9078e-02 1.V60 N = 114.682(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.5489e-01 1.G61 H = 7.428(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.6523e-01 1.G61 N = 105.827(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.2070e-01 1.H62 H = 7.560(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.1731e-01 1.H62 N = 119.294(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.2114e-01 1.S63 H = 8.374(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.7342e-01 1.S63 N = 116.800(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.8256e-01 1.I64 H = 8.765(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.7570e-01 1.I64 N = 125.724(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.1912e-01 1.R65 H = 8.989(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.1950e-01 1.R65 N = 126.352(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.3138e-01 1.H66 H = 8.828(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.8720e-01 1.H66 N = 115.852(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.3731e-01 1.D68 H = 8.534(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.9934e-01 1.D68 N = 110.757(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.0379e-02 1.V69 H = 7.165(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.3132e-02 1.V69 N = 114.622(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.5109e-01 1.E70 H = 7.841(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.0721e-01 1.E70 N = 115.759(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.5818e-01 1.V71 H = 7.807(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.7097e-01 1.V71 N = 117.015(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.6357e-01 1.D72 H = 9.015(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.2417e-01 1.D72 N = 131.432(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.2179e-03 1.G73 H = 8.675(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.9558e-01 1.G73 N = 112.946(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.9727e-01 1.F74 H = 7.634(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.1329e-01 1.F74 N = 122.533(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.1825e-01 1.S75 H = 8.686(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.9137e-01 1.S75 N = 109.154(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.2926e-02 1.E76 H = 7.404(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.1653e-01 1.E76 N = 118.000(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.4294e-01 1.L77 H = 7.058(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.1376e-02 1.L77 N = 118.235(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.5264e-01 1.R78 H = 8.618(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.3547e-01 1.R78 N = 120.006(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.2917e-01 1.W79 H = 9.117(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.9518e-01 1.W79 N = 124.564(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.9022e-01 1.D80 H = 9.008(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.2880e-01 1.D80 N = 115.485(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.8087e-01 1.D81 H = 7.212(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.8344e-02 1.D81 N = 119.725(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.1061e-01 1.Q82 H = 8.113(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5609e-01 1.Q82 N = 121.276(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.0024e-01 1.Q83 H = 7.598(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.9177e-01 1.Q83 N = 114.743(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.5280e-01 1.K84 H = 7.580(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.0931e-01 1.K84 N = 120.052(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.9122e-01 1.V85 H = 8.460(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.9970e-01 1.V85 N = 121.053(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8471e-01 1.K86 H = 8.280(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8076e-01 1.K86 N = 118.221(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.5302e-01 1.K87 H = 8.643(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.5025e-01 1.K87 N = 117.522(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.4937e-01 1.T88 H = 7.837(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.1569e-01 1.T88 N = 116.017(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.9998e-01 1.A89 H = 7.830(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3745e-01 1.A89 N = 123.210(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9549e-01 1.E90 H = 7.712(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.9489e-01 1.E90 N = 116.765(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.6181e-01 1.A91 H = 7.473(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.2564e-01 1.A91 N = 120.568(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.5206e-01 1.G92 H = 7.896(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.0433e-01 1.G92 N = 106.372(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.9411e-01 1.G93 H = 7.772(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.9064e-01 1.G93 N = 106.355(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.9167e-01 1.V94 H = 7.838(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9991e-01 1.V94 N = 118.147(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.0973e-01 1.T95 H = 8.147(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.8076e-01 1.T95 N = 116.905(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.5456e-01 1.G96 H = 8.318(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8527e-01 1.G96 N = 110.815(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.6733e-01 1.K97 H = 8.245(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.2696e-01 1.K97 N = 120.781(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4312e-01 1.G98 H = 8.485(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1152e-01 1.G98 N = 109.911(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5034e-01 1.Q99 H = 8.291(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.0421e-01 1.Q99 N = 119.745(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.6787e-01 1.D100 H = 8.372(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.1487e-01 1.D100 N = 120.767(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.7582e-01 1.G101 H = 8.273(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3012e-01 1.G101 N = 108.642(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9052e-01 1.I102 H = 7.990(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.6976e-01 1.I102 N = 119.653(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.7288e-01 1.G103 H = 8.517(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7358e-01 1.G103 N = 112.288(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.9873e-01 1.A106 H = 8.153(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3756e-01 1.A106 N = 124.219(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7995e-01 1.E107 H = 8.239(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.7742e-01 1.E107 N = 119.472(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.3066e-01 1.K108 H = 8.605(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.8915e-01 1.K108 N = 123.677(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.8592e-01 1.T109 H = 8.021(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.2392e-01 1.T109 N = 115.958(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.0982e-01 1.L110 H = 8.920(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.8845e-01 1.L110 N = 127.056(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.8276e-01 1.G111 H = 8.418(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9231e-01 1.G111 N = 106.863(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.6825e-01 1.D112 H = 8.680(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.2352e-01 1.D112 N = 115.365(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.7095e-01 1.F113 H = 7.232(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.1719e-01 1.F113 N = 115.749(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.6074e-01 1.A114 H = 8.392(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.4897e-01 1.A114 N = 123.603(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.1608e-01 1.A115 H = 8.616(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.8810e-01 1.A115 N = 118.473(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.7902e-01 1.E116 H = 8.695(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.3615e-01 1.E116 N = 114.847(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.4273e-02 1.Y117 H = 7.921(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.8467e-01 1.Y117 N = 117.299(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.4314e-01 1.A118 H = 9.290(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.9268e-02 1.A118 N = 124.586(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.0168e-01 1.K119 H = 6.659(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.0721e-02 1.K119 N = 121.852(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.3154e-01 1.S120 H = 7.548(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.1472e-01 1.S120 N = 112.350(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.6422e-01 1.R122 H = 8.653(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.9837e-01 1.R122 N = 114.994(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.1463e-01 1.S123 H = 9.424(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.2503e-02 1.S123 N = 119.994(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.9137e-01 1.T124 H = 8.685(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.7292e-01 1.T124 N = 118.394(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.3125e-01 1.C125 H = 8.332(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.3102e-01 1.C125 N = 126.502(D), Expected = 120.17, Std = 4.6400, ChiSquare = 1.7236e-01 1.K126 H = 8.638(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.5527e-01 1.K126 N = 128.394(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.1414e-02 1.G127 H = 9.154(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.0491e-01 1.G127 N = 111.594(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.1908e-01 1.C128 H = 8.103(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.6839e-01 1.C128 N = 119.591(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.0069e-01 1.M129 H = 8.163(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.7157e-01 1.M129 N = 117.296(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.3384e-01 1.E130 H = 8.310(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7296e-01 1.E130 N = 119.063(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.4424e-01 1.K131 H = 8.625(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.6845e-01 1.K131 N = 119.472(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.7553e-01 1.I132 H = 8.119(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.1284e-01 1.I132 N = 124.241(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.1584e-01 1.E133 H = 8.721(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.0752e-01 1.E133 N = 128.930(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.7617e-02 1.K134 H = 8.273(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8998e-01 1.K134 N = 122.211(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.5811e-01 1.G135 H = 8.810(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.6023e-01 1.G135 N = 113.703(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.9736e-01 1.Q136 H = 7.649(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.3315e-01 1.Q136 N = 118.199(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.3855e-01 1.V137 H = 8.846(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.0662e-01 1.V137 N = 122.636(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.4177e-01 1.R138 H = 8.923(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.6285e-01 1.R138 N = 121.470(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.5553e-01 1.L139 H = 9.080(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.9098e-01 1.L139 N = 121.615(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.4991e-01 1.S140 H = 9.278(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.0737e-02 1.S140 N = 115.766(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.8390e-01 1.K141 H = 7.840(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.5967e-01 1.K141 N = 118.714(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.3550e-01 1.K142 H = 8.063(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.3237e-01 1.K142 N = 126.494(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.4873e-01 1.M143 H = 8.804(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.6458e-01 1.M143 N = 119.894(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.5622e-01 1.V144 H = 8.193(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8489e-01 1.V144 N = 122.028(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.4493e-01 1.D145 H = 9.811(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.6554e-03 1.D145 N = 131.694(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.2212e-03 1.E147 H = 8.320(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.8648e-01 1.E147 N = 115.294(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.2239e-01 1.K148 H = 7.660(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.7706e-01 1.K148 N = 117.929(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.0775e-01 1.Q150 H = 9.378(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.9680e-02 1.Q150 N = 119.531(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.2057e-01 1.L151 H = 7.142(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.4161e-02 1.L151 N = 117.441(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5718e-01 1.G152 H = 7.441(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7141e-01 1.G152 N = 103.991(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.4226e-01 1.M153 H = 8.224(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.5216e-01 1.M153 N = 120.094(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.9911e-01 1.I154 H = 8.168(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.6918e-01 1.I154 N = 121.419(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.9236e-01 1.D155 H = 7.966(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.5311e-01 1.D155 N = 118.739(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.2055e-01 1.R156 H = 7.803(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.7375e-01 1.R156 N = 123.603(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.4625e-01 1.W157 H = 8.527(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.6418e-01 1.W157 N = 122.394(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.6437e-01 1.Y158 H = 9.752(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.9804e-02 1.Y158 N = 114.400(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.4508e-01 1.H159 H = 9.511(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.1607e-02 1.H159 N = 120.603(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.1945e-01 1.G161 H = 9.233(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.6476e-01 1.G161 N = 102.275(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6024e-02 1.C162 H = 7.172(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.9078e-02 1.C162 N = 122.207(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.6066e-01 1.F163 H = 8.659(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.7794e-01 1.F163 N = 123.835(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.1805e-01 1.V164 H = 8.235(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.3458e-01 1.V164 N = 115.858(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.4465e-01 1.K165 H = 7.511(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.5777e-01 1.K165 N = 118.473(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.9426e-01 1.N166 H = 7.171(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.3517e-02 1.N166 N = 115.649(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.1556e-01 1.R167 H = 7.119(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.6106e-02 1.R167 N = 119.145(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.5291e-01 1.E168 H = 8.424(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.7342e-01 1.E168 N = 118.509(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.3461e-01 1.E169 H = 8.395(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.1228e-01 1.E169 N = 122.739(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.5215e-01 1.L170 H = 7.761(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.7058e-01 1.L170 HD21 = -0.385(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2064e-04 1.L170 HD22 = -0.385(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2064e-04 1.L170 HD23 = -0.385(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2064e-04 1.L170 N = 115.955(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3000e-01 1.G171 H = 7.734(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.5918e-01 1.G171 N = 106.618(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.3033e-01 1.F172 H = 8.125(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.4413e-01 1.F172 N = 123.738(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.3151e-01 1.R173 H = 5.925(S), Expected = 8.24, Std = 0.6100, ChiSquare = 1.4759e-04 1.R173 N = 126.794(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.0335e-01 1.E175 H = 8.966(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.8105e-01 1.E175 N = 112.619(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.0695e-02 1.Y176 H = 7.514(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.6955e-01 1.Y176 N = 122.386(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.5684e-01 1.S177 H = 8.126(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.9408e-01 1.S177 N = 112.252(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.5249e-01 1.A178 H = 8.449(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.7814e-01 1.A178 N = 121.897(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.0651e-01 1.S179 H = 7.450(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.5949e-01 1.S179 N = 106.363(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.8425e-03 1.Q180 H = 7.598(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.9177e-01 1.Q180 N = 118.340(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.6679e-01 1.L181 H = 7.652(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.7388e-01 1.L181 N = 119.508(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.4646e-01 1.K182 H = 9.088(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.3448e-01 1.K182 N = 128.519(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.7573e-02 1.G183 H = 8.929(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.5677e-01 1.G183 N = 113.965(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.6708e-01 1.F184 H = 8.162(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.8332e-01 1.F184 N = 122.827(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.6959e-01 1.S185 H = 8.495(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.1555e-01 1.S185 N = 107.653(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.4252e-02 1.L186 H = 7.401(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.0217e-01 1.L186 N = 119.838(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0414e-01 1.L187 H = 7.232(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2469e-01 1.L187 N = 118.799(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.3253e-01 1.A188 H = 8.753(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.5670e-01 1.A188 N = 122.252(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.8234e-01 1.T189 H = 8.860(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.1731e-01 1.T189 N = 118.939(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.5879e-01 1.E190 H = 9.627(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.7927e-02 1.E190 N = 118.485(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.3009e-01 1.D191 H = 7.103(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.7431e-02 1.D191 N = 118.581(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.9195e-01 1.K192 H = 8.213(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.6942e-01 1.K192 N = 120.596(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.0415e-01 1.E193 H = 8.218(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.4944e-01 1.E193 N = 115.800(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.6169e-01 1.A194 H = 7.627(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.3958e-01 1.A194 N = 121.240(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.7402e-01 1.L195 H = 8.075(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.1152e-01 1.L195 N = 118.009(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.2343e-01 1.K196 H = 8.421(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.0024e-01 1.K196 N = 118.919(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.7190e-01 1.K197 H = 7.322(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.4799e-01 1.K197 N = 115.298(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.2708e-01 1.Q198 H = 7.315(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.2505e-01 1.Q198 N = 115.826(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.5894e-01 1.L199 H = 8.025(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.5247e-01 1.L199 N = 117.828(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.0121e-01 1.G201 H = 8.370(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.5093e-01 1.G201 N = 108.409(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4455e-01 1.V202 H = 8.050(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.2019e-01 1.V202 N = 120.044(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0924e-01 1.K203 H = 8.350(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.8973e-01 1.K203 N = 124.891(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.0828e-01 1.S204 H = 8.375(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.7208e-01 1.S204 N = 117.895(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.4637e-01 1.E205 H = 8.516(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.5257e-01 1.E205 N = 123.136(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.7856e-01 1.G206 H = 8.378(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4113e-01 1.G206 N = 109.546(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.7444e-01 1.K207 H = 8.120(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0712e-01 1.K207 N = 120.795(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.4607e-01 1.R208 H = 8.403(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.8930e-01 1.R208 N = 122.719(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.0204e-01 1.G210 H = 8.587(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.9256e-01 1.G210 N = 110.488(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3260e-01 1.D211 H = 8.192(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.3878e-01 1.D211 N = 120.011(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.6852e-01 1.E212 H = 8.386(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.2438e-01 1.E212 N = 120.328(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.2171e-01 1.V213 H = 8.070(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.4264e-01 1.V213 N = 119.504(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.1858e-01 1.D214 H = 7.919(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.0022e-01 1.D214 N = 128.466(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.2881e-02