Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.35 K 0.24 Q 0.21 R 0.13 E 0.04 C Shift Assignments>> C :: 172.33 CA :: 54.46(D) CB :: 32.96(D) 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) 1.K2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 K 0.27 Q 0.21 R 0.13 E 0.05 V 0.03 C Shift Assignments>> C :: 174.66(D) CA :: 56.51(D) CB :: 32.97(D) 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 :: 9.22(D) HA :: 4.77(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 :: 127.72(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.62 L 0.35 K 0.01 C Shift Assignments>> C :: 173.89(D) CA :: 50.53(D) CB :: 22.50(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.24(D) HA :: 5.01(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.67(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.96 M 0.02 C Shift Assignments>> C :: 177.39(D) CA :: 49.73(D) CB :: 19.39(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.10(D) HA :: 5.34(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.68(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.42 Y 0.29 F 0.25 E 0.01 C Shift Assignments>> C :: 177.77(D) CA :: 60.51(D) CB :: 38.85(D) 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 :: 9.06(D) HA :: 4.28(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 :: 122.37(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.18 D 0.18 K 0.16 F 0.07 Y 0.05 N 0.01 G 0.01 C Shift Assignments>> C :: 176.22(D) CA :: 55.11(D) CB :: 42.53(D) 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 :: 9.25(D) HA :: 4.38(D) 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 :: 126.32(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.51 E 0.12 Y 0.11 F 0.08 M 0.07 D 0.05 L 0.01 K 0.01 C Shift Assignments>> C :: 173.66(D) CA :: 53.91(D) CB :: 37.28(D) 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 :: 7.85(D) HA :: 4.41(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 :: 117.05(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.21 F 0.17 Y 0.14 K 0.09 N 0.08 I 0.01 C Shift Assignments>> C :: 176.88(D) CA :: 55.55(D) CB :: 40.75(D) 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 :: 8.46(D) HA :: 4.62(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 :: 118.31(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.63 I 0.09 P 0.06 K 0.05 Q 0.04 M 0.03 E 0.03 Y 0.02 R 0.01 C Shift Assignments>> C :: 175.83(D) CA :: 61.80(D) CB :: 34.31(D) 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 :: 8.85(D) HA :: 4.23(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 :: 123.51(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 V 0.18 R 0.17 M 0.16 E 0.12 Q 0.07 C Shift Assignments>> C :: 177.78(D) CA :: 59.03(D) CB :: 32.21(D) 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 :: 8.94(D) HA :: 4.03(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 :: 131.01(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 173.88(D) CA :: 45.49(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.96(D) HA2 :: 3.72(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.10(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.31 Q 0.25 K 0.25 R 0.1 E 0.03 V 0.01 C Shift Assignments>> C :: 175.79(D) CA :: 55.63(D) CB :: 33.23 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 :: 8.31(D) HA :: 4.69(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 :: 118.69(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 170.74(D) CA :: 45.37(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.01(D) HA2 :: 3.66(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.95(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.36 Q 0.26 K 0.17 E 0.08 N 0.04 R 0.03 Y 0.01 C Shift Assignments>> C :: 175.43(D) CA :: 53.74(D) CB :: 34.61(D) 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 :: 8.50(D) HA :: 4.66(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 :: 121.89(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.26 V 0.18 M 0.17 Q 0.14 R 0.13 E 0.08 C Shift Assignments>> C :: 177.40(D) CA :: 58.92(D) CB :: 32.74(D) 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 :: 8.96(D) HA :: 3.37(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 :: 120.76(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 174.63(D) CA :: 45.22(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.72(D) HA2 :: 3.66(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.48(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.23 M 0.22 K 0.21 E 0.17 Q 0.1 V 0.03 C Shift Assignments>> C :: 175.58(D) CA :: 57.17(D) CB :: 31.61(D) 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 :: 8.52(D) HA :: 4.32(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 :: 121.11(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.37 Y 0.3 F 0.29 L 0.01 C Shift Assignments>> C :: 176.88(D) CA :: 60.26(D) CB :: 39.27(D) 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 :: 8.42(D) HA :: 5.41(D) 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 :: 122.13(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.37 E 0.22 M 0.14 Y 0.1 F 0.06 K 0.03 D 0.02 Q 0.01 C Shift Assignments>> C :: 174.98(D) CA :: 54.06(D) CB :: 36.61(D) 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 :: 9.09(D) HA :: 4.93(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 :: 124.31(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.46 D 0.23 F 0.1 Y 0.1 L 0.07 C Shift Assignments>> C :: 175.41(D) CA :: 53.69(D) CB :: 39.10(D) 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 :: 8.88(D) HA :: 5.28(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 :: 120.60(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.38 Y 0.14 I 0.12 M 0.09 F 0.07 K 0.07 V 0.04 Q 0.04 C Shift Assignments>> C :: 174.27(D) CA :: 58.82(D) CB :: 35.97(D) 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 :: 8.96(D) HA :: 4.69(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 :: 119.55(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 M 0.14 C Shift Assignments>> C :: 178.96(D) CA :: 52.96(D) CB :: 19.07(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.73(D) HA :: 4.33(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.55(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 Y 0.31 I 0.1 L 0.09 D 0.07 K 0.05 N 0.01 C Shift Assignments>> C :: 178.00(D) CA :: 58.18(D) CB :: 40.35(D) 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 :: 8.70(D) HA :: 4.07(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 :: 122.69(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.89 L 0.04 A 0.02 P 0.01 C Shift Assignments>> C :: 175.76(D) CA :: 47.34(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.88(D) HA2 :: 3.97(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.72(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 Y 0.3 F 0.27 E 0.01 C Shift Assignments>> C :: 178.36(D) CA :: 60.28(D) CB :: 38.88(D) 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 :: 7.16(D) HA :: 4.48(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 :: 122.37(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.43 I 0.03 C Shift Assignments>> C :: 177.78(D) CA :: 55.07(D) CB :: 18.22(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.20 HA :: 4.21 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.44 Ave N Shift Values>> N :: 123.23(3.54) 1.N27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.26 N 0.13 D 0.13 L 0.07 I 0.05 E 0.02 M 0.01 C Shift Assignments>> C :: 177.48(D) CA :: 56.26(D) CB :: 38.87(D) 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 :: 8.31(D) HA :: 4.34(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 :: 112.83(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.34 D 0.21 Y 0.16 F 0.15 L 0.08 I 0.01 C Shift Assignments>> C :: 175.62(D) CA :: 54.67(D) CB :: 39.00(D) 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 :: 8.27(D) HA :: 4.67(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 :: 113.51(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.29 I 0.27 K 0.04 L 0.03 D 0.01 C Shift Assignments>> C :: 175.14(D) CA :: 60.24(D) CB :: 40.55(D) 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 :: 7.68(D) HA :: 4.64(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 :: 117.82(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 L 0.18 K 0.15 F 0.15 Y 0.1 D 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 177.29 CA :: 58.22(D) CB :: 42.94(D) 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 :: 7.44(D) HA :: 3.83(D) 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 :: 116.74(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 Y 0.15 M 0.14 F 0.09 N 0.07 K 0.05 I 0.03 Q 0.02 C Shift Assignments>> C :: 180.17(D) CA :: 56.28(D) CB :: 36.50(D) 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 :: 8.03 HA :: 4.54 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 :: 120.42 Ave N Shift Values>> N :: 120.45(4.18) 1.K32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 M 0.2 Q 0.17 V 0.13 R 0.12 E 0.07 C Shift Assignments>> C :: 177.94(D) CA :: 58.49(D) CB :: 32.92(D) 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 :: 7.02(D) HA :: 4.18(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 :: 119.93(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.27 K 0.25 E 0.18 R 0.16 M 0.05 L 0.04 I 0.02 C Shift Assignments>> C :: 176.42(D) CA :: 55.75(D) CB :: 28.86(D) 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 :: 7.49(D) HA :: 4.30(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 :: 113.30(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 174.19(D) CA :: 46.41(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.62(D) HA2 :: 3.95(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.28(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.26 D 0.13 K 0.13 F 0.07 Y 0.05 G 0.01 C Shift Assignments>> C :: 176.46(D) CA :: 55.64(D) CB :: 42.84(D) 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 :: 7.96(D) HA :: 4.15(D) 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 :: 115.66(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.62 A 0.21 K 0.08 P 0.07 C Shift Assignments>> C :: 173.48(D) CA :: 50.33(D) CB :: 23.62(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.48(D) HA :: 5.01(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.04(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.29 F 0.2 K 0.14 Y 0.13 L 0.1 I 0.05 G 0.04 D 0.01 C Shift Assignments>> C :: 173.72(D) CA :: 59.69(D) CB :: 42.91(D) 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 :: 8.52(D) HA :: 4.12(D) 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 :: 115.58(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.23 K 0.23 Q 0.21 R 0.17 I 0.06 M 0.04 V 0.01 L 0.01 C Shift Assignments>> C :: 177.71(D) CA :: 57.90(D) CB :: 29.30(D) 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 :: 8.40(D) HA :: 4.24(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 :: 125.76(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.83 M 0.16 C Shift Assignments>> C :: 176.91(D) CA :: 51.28(D) CB :: 17.52(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.64(D) HA :: 4.34(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.17(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 1 C Shift Assignments>> C :: 173.27(D) CA :: 59.69(D) CB :: 68.41(D) 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 :: 8.01(D) HA :: 4.67(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 :: 114.30(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.67 P 0.3 I 0.01 C Shift Assignments>> C :: 179.72(D) CA :: 66.17(D) CB :: 31.87(D) 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.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.48 M 0.46 I 0.03 C Shift Assignments>> C :: 180.92(D) CA :: 55.21(D) CB :: 18.68(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.38(D) HA :: 4.13(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.20(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.28 E 0.21 Y 0.17 F 0.12 M 0.08 D 0.04 I 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 178.57(D) CA :: 55.07(D) CB :: 37.21(D) 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 :: 7.84(D) HA :: 4.59(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 :: 119.05(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.31 Y 0.26 L 0.12 K 0.1 D 0.09 I 0.07 N 0.01 C Shift Assignments>> C :: 180.12(D) CA :: 57.92(D) CB :: 40.70(D) 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 :: 8.63(D) HA :: 4.05(D) 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 :: 120.44(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 V 0.2 R 0.16 M 0.16 E 0.11 Q 0.08 HN Overlap>> 1.K53 1.K53 C Shift Assignments>> C :: 179.34(D) CA :: 59.14(D) CB :: 32.28(D) 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 :: 8.01 HA :: 4.12 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 :: 120.68 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.51 A 0.45 I 0.02 C Shift Assignments>> C :: 180.63(D) CA :: 54.83(D) CB :: 18.08(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.63(D) HA :: 4.23(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.44(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 L 0.18 F 0.18 Y 0.13 R 0.11 D 0.07 I 0.02 C Shift Assignments>> C :: 179.87(D) CA :: 57.66(D) CB :: 42.03(D) 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 :: 7.94(D) HA :: 4.12(D) 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 :: 119.73(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.25 K 0.19 Q 0.19 R 0.19 I 0.08 M 0.05 V 0.02 C Shift Assignments>> C :: 178.56(D) CA :: 58.62(D) CB :: 29.62(D) 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 :: 7.93(D) HA :: 4.09(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 :: 120.26(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.61 M 0.36 I 0.01 C Shift Assignments>> C :: 179.89(D) CA :: 54.19(D) CB :: 18.39(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.87(D) HA :: 4.23(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.71(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 Q 0.23 E 0.2 R 0.14 I 0.06 M 0.03 L 0.03 C Shift Assignments>> C :: 177.50(D) CA :: 57.53(D) CB :: 28.81(D) 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 :: 7.81(D) HA :: 4.17(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 :: 117.83(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.28 M 0.21 R 0.15 Q 0.14 V 0.09 E 0.09 C Shift Assignments>> C :: 178.12(D) CA :: 58.11(D) CB :: 32.62(D) 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 :: 7.87(D) HA :: 4.19(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 :: 120.55(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 Q 0.24 E 0.21 R 0.16 M 0.05 I 0.03 L 0.02 C Shift Assignments>> C :: 177.19(D) CA :: 56.88(D) CB :: 29.07(D) 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 :: 8.04(D) HA :: 4.21(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 :: 118.88(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.28 M 0.24 Q 0.19 R 0.13 E 0.07 V 0.06 HN Overlap>> 1.K45 1.K45 C Shift Assignments>> C :: 177.20(D) CA :: 57.48(D) CB :: 32.88(D) 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 :: 7.97(D) HA :: 4.24(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 :: 120.69(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.25 E 0.25 Q 0.21 M 0.12 K 0.12 I 0.01 V 0.01 C Shift Assignments>> C :: 176.57(D) CA :: 56.76(D) CB :: 30.30(D) 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 :: 8.10(D) HA :: 4.26(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 :: 120.22(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.25 E 0.21 K 0.21 R 0.2 M 0.07 I 0.01 L 0.01 C Shift Assignments>> C :: 175.18(D) CA :: 56.22(D) CB :: 29.53(D) 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 :: 8.18(D) HA :: 4.34(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 :: 121.31(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R56 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 8.02(D) HA :: 4.21(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 :: 128.18(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) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 56 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 55 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 56 #Suspicious: 0 C Shift Results: #Consistent: 3 #Duplicate: 157 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 6 #Duplicate: 102 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 3 #Duplicate: 51 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M1 CA = 54.46(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.5935e-01 1.M1 CB = 32.96(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.8931e-01 1.K2 C = 174.66(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.2217e-01 1.K2 CA = 56.51(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.4148e-01 1.K2 CB = 32.97(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1945e-01 1.K2 H = 9.22(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.6040e-02 1.K2 HA = 4.77(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.5580e-01 1.K2 N = 127.72(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.6855e-02 1.A3 C = 173.89(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.0683e-02 1.A3 CA = 50.53(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.8744e-01 1.A3 CB = 22.50(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.6507e-02 1.A3 H = 9.24(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.3037e-02 1.A3 HA = 5.01(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.8279e-02 1.A3 N = 129.67(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.8880e-02 1.A4 C = 177.39(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.6948e-01 1.A4 CA = 49.73(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5029e-02 1.A4 CB = 19.39(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.3550e-01 1.A4 H = 9.10(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.3361e-01 1.A4 HA = 5.34(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.4106e-02 1.A4 N = 123.68(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.9885e-01 1.F5 C = 177.77(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.3764e-01 1.F5 CA = 60.51(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.4439e-01 1.F5 CB = 38.85(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.8544e-01 1.F5 H = 9.06(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.3094e-01 1.F5 HA = 4.28(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.3919e-01 1.F5 N = 122.37(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.4600e-01 1.L6 C = 176.22(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.9736e-01 1.L6 CA = 55.11(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1077e-01 1.L6 CB = 42.53(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.0684e-01 1.L6 H = 9.25(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.1659e-01 1.L6 HA = 4.38(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.9842e-01 1.L6 N = 126.32(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5279e-01 1.K7 C = 173.66(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.3622e-01 1.K7 CA = 53.91(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.6703e-01 1.K7 CB = 37.28(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.1653e-02 1.K7 H = 7.85(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.7094e-01 1.K7 HA = 4.41(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.5035e-01 1.K7 N = 117.05(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.8869e-01 1.D8 C = 176.88(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.8386e-01 1.D8 CA = 55.55(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.7182e-01 1.D8 CB = 40.75(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.3604e-01 1.D8 H = 8.46(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.9593e-01 1.D8 HA = 4.62(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.2531e-01 1.D8 N = 118.31(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.4437e-01 1.V9 C = 175.83(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.1199e-01 1.V9 CA = 61.80(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.0935e-01 1.V9 CB = 34.31(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.7741e-01 1.V9 H = 8.85(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.0326e-01 1.V9 HA = 4.23(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.4502e-01 1.V9 N = 123.51(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.0165e-01 1.K10 C = 177.78(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.6868e-01 1.K10 CA = 59.03(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.4443e-01 1.K10 CB = 32.21(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.4454e-01 1.K10 H = 8.94(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.1130e-01 1.K10 HA = 4.03(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.8544e-01 1.K10 N = 131.01(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2440e-03 1.G11 C = 173.88(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.9576e-01 1.G11 CA = 45.49(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1679e-01 1.G11 H = 8.96(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.3243e-01 1.G11 HA2 = 3.72(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.9925e-01 1.G11 N = 115.10(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.6059e-01 1.K12 C = 175.79(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.7084e-01 1.K12 CA = 55.63(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.4851e-01 1.K12 H = 8.31(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.4148e-01 1.K12 HA = 4.69(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.3981e-01 1.K12 N = 118.69(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.3132e-01 1.G13 C = 170.74(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.5934e-02 1.G13 CA = 45.37(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8809e-01 1.G13 H = 8.01(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.2250e-01 1.G13 HA2 = 3.66(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.0212e-01 1.G13 N = 105.95(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.3643e-01 1.K14 C = 175.43(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.4518e-01 1.K14 CA = 53.74(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.4454e-01 1.K14 CB = 34.61(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.0656e-01 1.K14 H = 8.50(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.0539e-01 1.K14 HA = 4.66(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.7542e-01 1.K14 N = 121.89(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2368e-01 1.K15 C = 177.40(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.0395e-01 1.K15 CA = 58.92(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.7054e-01 1.K15 CB = 32.74(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.7759e-01 1.K15 H = 8.96(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.9938e-01 1.K15 HA = 3.37(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.0810e-02 1.K15 N = 120.76(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.3868e-01 1.G16 C = 174.63(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.8602e-01 1.G16 CA = 45.22(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2271e-01 1.G16 H = 8.72(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.4851e-01 1.G16 HA2 = 3.66(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.0212e-01 1.G16 N = 115.48(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3328e-01 1.E17 C = 175.58(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.0827e-01 1.E17 CA = 57.17(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.4278e-01 1.E17 CB = 31.61(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.5225e-01 1.E17 H = 8.52(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.4743e-01 1.E17 HA = 4.32(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.6443e-01 1.E17 N = 121.11(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.9939e-01 1.I18 C = 176.88(D), Expected = 175.85, Std = 1.9200, ChiSquare = 5.9164e-01 1.I18 CA = 60.26(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.1445e-01 1.I18 CB = 39.27(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.5137e-01 1.I18 H = 8.42(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.3688e-01 1.I18 HA = 5.41(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.8061e-02 1.I18 N = 122.13(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.7561e-01 1.K19 C = 174.98(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.0654e-01 1.K19 CA = 54.06(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.8897e-01 1.K19 CB = 36.61(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.1868e-02 1.K19 H = 9.09(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.3361e-01 1.K19 HA = 4.93(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.3361e-01 1.K19 N = 124.31(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.8719e-01 1.N20 C = 175.41(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.3766e-01 1.N20 CA = 53.69(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.3641e-01 1.N20 CB = 39.10(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.0831e-01 1.N20 H = 8.88(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.9137e-01 1.N20 HA = 5.28(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.0181e-02 1.N20 N = 120.60(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.7859e-01 1.V21 C = 174.27(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.7738e-01 1.V21 CA = 58.82(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9942e-01 1.V21 CB = 35.97(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.0287e-02 1.V21 H = 8.96(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1731e-01 1.V21 HA = 4.69(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.8865e-01 1.V21 N = 119.55(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.2617e-01 1.A22 C = 178.96(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.6680e-01 1.A22 CA = 52.96(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.2757e-01 1.A22 CB = 19.07(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.7384e-01 1.A22 H = 8.73(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.7706e-01 1.A22 HA = 4.33(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.7360e-01 1.A22 N = 126.55(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.4832e-01 1.D23 C = 178.00(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.6057e-01 1.D23 CA = 58.18(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.5576e-02 1.D23 CB = 40.35(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.4355e-01 1.D23 H = 8.70(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.0132e-01 1.D23 HA = 4.07(D), Expected = 4.59, Std = 0.3200, ChiSquare = 1.0416e-01 1.D23 N = 122.69(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.9715e-01 1.G24 C = 175.76(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.1474e-01 1.G24 CA = 47.34(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.3752e-01 1.G24 H = 8.88(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.9747e-01 1.G24 HA2 = 3.97(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.0000e+00 1.G24 N = 106.72(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.4590e-01 1.Y25 C = 178.36(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.3690e-01 1.Y25 CA = 60.28(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.9168e-01 1.Y25 CB = 38.88(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.3859e-01 1.Y25 H = 7.16(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.1205e-01 1.Y25 HA = 4.48(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.8881e-01 1.Y25 N = 122.37(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.5959e-01 1.A26 C = 177.78(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.8502e-01 1.A26 CA = 55.07(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.2969e-01 1.A26 CB = 18.22(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.6596e-01 1.N27 C = 177.48(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.1697e-01 1.N27 CA = 56.26(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.4795e-01 1.N27 CB = 38.87(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.1518e-01 1.N27 H = 8.31(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.6202e-01 1.N27 HA = 4.34(D), Expected = 4.67, Std = 0.3600, ChiSquare = 3.5932e-01 1.N27 N = 112.83(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.3012e-01 1.N28 C = 175.62(D), Expected = 175.27, Std = 1.7900, ChiSquare = 8.4498e-01 1.N28 CA = 54.67(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.4780e-01 1.N28 CB = 39.00(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.5446e-01 1.N28 H = 8.27(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.1153e-01 1.N28 HA = 4.67(D), Expected = 4.67, Std = 0.3600, ChiSquare = 1.0000e+00 1.N28 N = 113.51(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.7865e-01 1.F29 C = 175.14(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.8810e-01 1.F29 CA = 60.24(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.0065e-01 1.F29 CB = 40.55(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.8874e-01 1.F29 H = 7.68(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.4494e-01 1.F29 HA = 4.64(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.8600e-01 1.F29 N = 117.82(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.2923e-01 1.L30 CA = 58.22(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2222e-01 1.L30 CB = 42.94(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.3754e-01 1.L30 H = 7.44(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.2422e-01 1.L30 HA = 3.83(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.9716e-01 1.L30 N = 116.74(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.8924e-01 1.F31 C = 180.17(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.6990e-02 1.F31 CA = 56.28(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.8368e-01 1.F31 CB = 36.50(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.4948e-02 1.K32 C = 177.94(D), Expected = 176.64, Std = 2.0000, ChiSquare = 5.1569e-01 1.K32 CA = 58.49(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8393e-01 1.K32 CB = 32.92(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.4178e-01 1.K32 H = 7.02(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.1176e-02 1.K32 HA = 4.18(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.3793e-01 1.K32 N = 119.93(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.6640e-01 1.Q33 C = 176.42(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.5502e-01 1.Q33 CA = 55.75(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.0159e-01 1.Q33 CB = 28.86(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.5612e-01 1.Q33 H = 7.49(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.1598e-01 1.Q33 HA = 4.30(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.4564e-01 1.Q33 N = 113.30(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.7167e-02 1.G34 C = 174.19(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.6484e-01 1.G34 CA = 46.41(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.2892e-01 1.G34 H = 7.62(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.7470e-01 1.G34 HA2 = 3.95(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.5689e-01 1.G34 N = 107.28(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.3686e-01 1.L35 C = 176.46(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.8895e-01 1.L35 CA = 55.64(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.9251e-01 1.L35 CB = 42.84(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.7801e-01 1.L35 H = 7.96(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.7786e-01 1.L35 HA = 4.15(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.1757e-01 1.L35 N = 115.66(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1189e-01 1.A36 C = 173.48(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.5500e-02 1.A36 CA = 50.33(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.5584e-01 1.A36 CB = 23.62(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.1765e-02 1.A36 H = 7.48(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.3014e-01 1.A36 HA = 5.01(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.8279e-02 1.A36 N = 116.04(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.2248e-02 1.I37 C = 173.72(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.6727e-01 1.I37 CA = 59.69(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.7373e-01 1.I37 CB = 42.91(D), Expected = 38.63, Std = 2.0200, ChiSquare = 3.4106e-02 1.I37 H = 8.52(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.2413e-01 1.I37 HA = 4.12(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.1468e-01 1.I37 N = 115.58(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.6949e-01 1.E38 C = 177.71(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.6664e-01 1.E38 CA = 57.90(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.8139e-01 1.E38 CB = 29.30(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.7976e-01 1.E38 H = 8.40(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0556e-01 1.E38 HA = 4.24(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.8054e-01 1.E38 N = 125.76(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.4356e-01 1.A39 C = 176.91(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.9678e-01 1.A39 CA = 51.28(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.4753e-01 1.A39 CB = 17.52(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.1553e-01 1.A39 H = 8.64(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.6336e-01 1.A39 HA = 4.34(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.5573e-01 1.A39 N = 132.17(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.1556e-02 1.T40 C = 173.27(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.7055e-01 1.T40 CA = 59.69(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.2865e-01 1.T40 CB = 68.41(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.1805e-01 1.T40 H = 8.01(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.1066e-01 1.T40 HA = 4.67(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.6175e-01 1.T40 N = 114.30(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.1360e-01 1.P41 C = 179.72(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.9196e-02 1.P41 CA = 66.17(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.1704e-02 1.P41 CB = 31.87(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.8648e-01 1.A42 C = 180.92(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.3545e-01 1.A42 CA = 55.21(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.9581e-01 1.A42 CB = 18.68(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.5690e-01 1.A42 H = 8.38(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.6418e-01 1.A42 HA = 4.13(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.6765e-01 1.A42 N = 118.20(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.5534e-01 1.N43 C = 178.57(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.5245e-02 1.N43 CA = 55.07(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.1574e-01 1.N43 CB = 37.21(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.8117e-01 1.N43 H = 7.84(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.2740e-01 1.N43 HA = 4.59(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.2414e-01 1.N43 N = 119.05(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.7625e-01 1.L44 C = 180.12(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.1392e-01 1.L44 CA = 57.92(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8023e-01 1.L44 CB = 40.70(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.9179e-01 1.L44 H = 8.63(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.3830e-01 1.L44 HA = 4.05(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.6565e-01 1.L44 N = 120.44(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.1578e-01 1.K45 C = 179.34(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.7702e-01 1.K45 CA = 59.14(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.1952e-01 1.K45 CB = 32.28(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.7448e-01 1.A46 C = 180.63(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.7484e-01 1.A46 CA = 54.83(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.9336e-01 1.A46 CB = 18.08(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.1132e-01 1.A46 H = 7.63(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.4211e-01 1.A46 HA = 4.23(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.4564e-01 1.A46 N = 122.44(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.2341e-01 1.L47 C = 179.87(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.4579e-01 1.L47 CA = 57.66(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3819e-01 1.L47 CB = 42.03(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.8160e-01 1.L47 H = 7.94(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5549e-01 1.L47 HA = 4.12(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.7045e-01 1.L47 N = 119.73(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.8496e-01 1.E48 C = 178.56(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.8612e-01 1.E48 CA = 58.62(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.3394e-01 1.E48 CB = 29.62(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.2062e-01 1.E48 H = 7.93(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.9779e-01 1.E48 HA = 4.09(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.9636e-01 1.E48 N = 120.26(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.0621e-01 1.A49 C = 179.89(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.1279e-01 1.A49 CA = 54.19(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.9590e-01 1.A49 CB = 18.39(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.3476e-01 1.A49 H = 7.87(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.8232e-01 1.A49 HA = 4.23(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.4564e-01 1.A49 N = 121.71(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.6765e-01 1.Q50 C = 177.50(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.4169e-01 1.Q50 CA = 57.53(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.5372e-01 1.Q50 CB = 28.81(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.3461e-01 1.Q50 H = 7.81(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.8711e-01 1.Q50 HA = 4.17(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.2021e-01 1.Q50 N = 117.83(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.6717e-01 1.K51 C = 178.12(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.5930e-01 1.K51 CA = 58.11(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.9800e-01 1.K51 CB = 32.62(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.2391e-01 1.K51 H = 7.87(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.9380e-01 1.K51 HA = 4.19(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.5573e-01 1.K51 N = 120.55(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.9449e-01 1.Q52 C = 177.19(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.5179e-01 1.Q52 CA = 56.88(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.8482e-01 1.Q52 CB = 29.07(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.4743e-01 1.Q52 H = 8.04(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.6030e-01 1.Q52 HA = 4.21(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.9153e-01 1.Q52 N = 118.88(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.7905e-01 1.K53 C = 177.20(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.7948e-01 1.K53 CA = 57.48(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.0963e-01 1.K53 CB = 32.88(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.5967e-01 1.K53 H = 7.97(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.1387e-01 1.K53 HA = 4.24(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.4564e-01 1.K53 N = 120.69(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.2393e-01 1.E54 C = 176.57(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.7773e-01 1.E54 CA = 56.76(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.8874e-01 1.E54 CB = 30.30(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.6611e-01 1.E54 H = 8.10(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9666e-01 1.E54 HA = 4.26(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.8054e-01 1.E54 N = 120.22(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.9711e-01 1.Q55 C = 175.18(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.6226e-01 1.Q55 CA = 56.22(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.7008e-01 1.Q55 CB = 29.53(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.5181e-01 1.Q55 H = 8.18(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.4595e-01 1.Q55 HA = 4.34(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.7360e-01 1.Q55 N = 121.31(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.9325e-01 1.R56 H = 8.02(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.1836e-01 1.R56 HA = 4.21(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.4488e-01 1.R56 N = 128.18(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.4917e-02