Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 57.174 CB :: 63.083 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 3.944 HB2 :: 3.762 HB3 :: 3.762 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.H2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 Q 0.15 K 0.12 R 0.12 W 0.12 C 0.12 E 0.11 M 0.05 L 0.01 C Shift Assignments>> CA :: 55.523 CB :: 29.612 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.599 HA :: 4.532 HB2 :: 3.076 HB3 :: 3.076 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 120.845 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.301 CB :: 63.759 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.407 HA :: 4.295 HB2 :: 3.718 HB3 :: 3.718 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.754 Ave N Shift Values>> N :: 116.3(3.95) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.39 A 0.12 C Shift Assignments>> CA :: 55.513 CB :: 32.610 CG :: 31.933 CE :: 16.792 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.467 HA :: 4.371 HB2 :: 1.852 HB3 :: 1.965 HG2 :: 2.375 HG3 :: 2.454 HE1 :: 1.916 HE2 :: 1.916 HE3 :: 1.916 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.201 Ave N Shift Values>> N :: 120.1(3.88) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> CA :: 45.367 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.303 HA2 :: 3.809 HA3 :: 3.809 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.518 Ave N Shift Values>> N :: 109.91(4.29) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.2 C 0.15 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> CA :: 53.256 CB :: 38.894 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.275 HA :: 4.606 HB2 :: 2.618 HB3 :: 2.692 HD21 :: 7.481 HD22 :: 6.808 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.803 ND2 :: 112.703 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.559 CB :: 63.659 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.224 HA :: 4.310 HB2 :: 3.708 HB3 :: 3.708 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.840 Ave N Shift Values>> N :: 116.3(3.95) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.541 CB :: 63.661 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.228 HA :: 4.304 HB2 :: 3.759 HB3 :: 3.759 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.557 Ave N Shift Values>> N :: 116.3(3.95) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.19 M 0.03 C Shift Assignments>> CA :: 56.483 CB :: 32.782 CG :: 24.729 CD :: 28.893 CE :: 42.036 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.192 HA :: 4.181 HB2 :: 1.635 HB3 :: 1.740 HG2 :: 1.256 HG3 :: 1.321 HD2 :: 1.502 HD3 :: 1.502 HE2 :: 2.803 HE3 :: 2.803 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.301 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.543 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.275 HA2 :: 3.811 HA3 :: 3.811 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.122 Ave N Shift Values>> N :: 109.91(4.29) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> CA :: 60.773 CB :: 33.830 CG1 :: 21.523 CG2 :: 19.681 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.522 HA :: 4.415 HB :: 1.732 HG11 :: 0.630 HG12 :: 0.630 HG13 :: 0.630 HG21 :: 0.605 HG22 :: 0.605 HG23 :: 0.605 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.135 Ave N Shift Values>> N :: 121.02(4.96) 1.Y17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.22 C 0.21 D 0.12 N 0.08 L 0.06 E 0.03 C Shift Assignments>> CA :: 56.492 CB :: 39.131 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.929 HA :: 4.381 HB2 :: 2.890 HB3 :: 2.934 HD1 :: 6.802 HD2 :: 6.802 HE1 :: 6.494 HE2 :: 6.494 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.317 Ave N Shift Values>> N :: 120.79(4.69) 1.Y18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 L 0.16 F 0.16 Y 0.13 C 0.13 D 0.11 R 0.06 N 0.01 C Shift Assignments>> CA :: 56.891 CB :: 41.298 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.646 HA :: 5.326 HB2 :: 3.039 HB3 :: 3.249 HD1 :: 6.881 HD2 :: 6.881 HE1 :: 6.405 HE2 :: 6.405 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 117.105 Ave N Shift Values>> N :: 120.79(4.69) 1.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 G 0.31 K 0.03 R 0.02 C Shift Assignments>> CA :: 54.797 CB :: 35.578 CD :: 44.048 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.373 HA :: 5.549 HB2 :: 1.493 HB3 :: 1.628 HG2 :: 1.300 HG3 :: 1.836 HD2 :: 2.981 HD3 :: 3.051 HE :: 7.004 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.698 NE :: 84.245 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.59 C 0.21 D 0.12 Y 0.02 F 0.02 L 0.01 C Shift Assignments>> CA :: 49.964 CB :: 38.555 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.651 HA :: 4.952 HB2 :: 1.382(S) HB3 :: 2.976 HD21 :: 7.414 HD22 :: 6.672 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.244 ND2 :: 111.932 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.39 K 0.12 Q 0.05 M 0.02 C Shift Assignments>> CA :: 58.786 CB :: 28.995 CG :: 36.175 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.889 HA :: 3.922 HB2 :: 1.897 HB3 :: 1.944 HG2 :: 2.182 HG3 :: 2.227 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.795 Ave N Shift Values>> N :: 120.68(3.68) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 K 0.12 Q 0.05 M 0.05 C Shift Assignments>> CA :: 56.230 CB :: 29.389 CG :: 36.323 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.280 HA :: 4.122 HB2 :: 1.684 HB3 :: 1.981 HG2 :: 2.046 HG3 :: 2.046 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.576 Ave N Shift Values>> N :: 120.68(3.68) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> CA :: 45.135 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.732 HA2 :: 3.264 HA3 :: 4.063 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.901 Ave N Shift Values>> N :: 109.91(4.29) 1.Q24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.29 Q 0.25 K 0.23 E 0.16 R 0.04 M 0.01 C Shift Assignments>> CA :: 56.109 CB :: 28.095 CG :: 34.657 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.737 HA :: 4.126 HB2 :: 0.769(S) HB3 :: 1.513 HG2 :: 1.852 HG3 :: 2.043 HE21 :: 6.849 HE22 :: 5.737 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 121.137 NE2 :: 110.315 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.6 C 0.39 C Shift Assignments>> CA :: 60.280 CB :: 73.126 CG2 :: 21.649 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.351 HA :: 5.829 HB :: 4.245 HG21 :: 1.117 HG22 :: 1.117 HG23 :: 1.117 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 109.710 Ave N Shift Values>> N :: 115.7(5.05) 1.W26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 K 0.16 C 0.16 R 0.11 W 0.1 H 0.09 E 0.08 Q 0.07 V 0.02 C Shift Assignments>> CA :: 56.638 CB :: 32.266 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 9.480 HA :: 5.275 HB2 :: 3.071 HB3 :: 3.260 HD1 :: 7.985 HE1 :: 9.324 HE3 :: 6.646 HZ2 :: 7.296 HZ3 :: 6.012 HH2 :: 7.077 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.132 NE1 :: 134.402 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.522 CB :: 64.161 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.802 HA :: 4.231 HB2 :: 3.793 HB3 :: 3.793 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 124.023 Ave N Shift Values>> N :: 116.3(3.95) 1.G28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> G 0.33 L 0.24 R 0.23 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.228 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 0.844(S) HA3 :: 3.452 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> CA :: 60.724 CB :: 34.256 CG1 :: 21.966 CG2 :: 20.702 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 6.540 HA :: 3.799 HB :: 1.638 HG11 :: 0.793 HG12 :: 0.793 HG13 :: 0.793 HG21 :: 0.563 HG22 :: 0.563 HG23 :: 0.563 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 117.282 Ave N Shift Values>> N :: 121.02(4.96) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.618 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.348 HA2 :: 3.742 HA3 :: 4.091 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.415 Ave N Shift Values>> N :: 109.91(4.29) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 R 0.2 L 0.19 C 0.16 F 0.03 Y 0.02 D 0.01 C Shift Assignments>> CA :: 57.420 CD :: 44.634 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.840 HA :: 3.598 HD2 :: 2.957 HD3 :: 3.285 HE :: 7.311 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.607 NE :: 85.220 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.Q32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 Q 0.24 K 0.17 R 0.08 P 0.04 E 0.03 M 0.01 C Shift Assignments>> CA :: 52.780 CB :: 27.170 CG :: 34.048 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 6.214 HA :: 2.702(S) HB2 :: 0.710(S) HB3 :: 1.271 HG2 :: 1.075(S) HG3 :: 1.900 HE21 :: 6.844 HE22 :: 5.971 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.299 NE2 :: 105.358 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.8 G 0.11 P 0.07 C Shift Assignments>> CA :: 60.514 CB :: 32.182 CG :: 27.439 CD :: 47.744 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.387 HB2 :: 1.180 HB3 :: 1.963 HG2 :: 0.276(S) HG3 :: 1.393 HD2 :: 1.393(S) HD3 :: 1.670(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 G 0.09 K 0.07 L 0.01 C Shift Assignments>> CA :: 59.864 CB :: 29.478 CG :: 27.146 CD :: 43.287 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.154 HA :: 3.482 HB2 :: 1.705 HB3 :: 1.759 HG2 :: 1.434 HG3 :: 1.531 HD2 :: 3.062 HD3 :: 3.062 HE :: 7.284 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.469 NE :: 84.466 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.W35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.23 C 0.16 L 0.12 Q 0.11 W 0.1 K 0.1 H 0.07 E 0.06 C Shift Assignments>> CA :: 58.573 CB :: 27.025 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.813 HA :: 4.094 HB2 :: 2.971 HB3 :: 3.088 HD1 :: 7.346 HE1 :: 10.041 HE3 :: 6.630 HZ2 :: 6.838 HZ3 :: 5.409 HH2 :: 6.466 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 113.687 NE1 :: 130.775 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 L 0.41 R 0.03 K 0.01 C Shift Assignments>> CA :: 56.386 CB :: 40.308 CG :: 26.194 CD1 :: 27.546 CD2 :: 23.642 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 5.622(S) HA :: 3.284 HB2 :: -1.166(S) HB3 :: 0.301(S) HG :: 0.698 HD11 :: -0.171(S) HD12 :: -0.171(S) HD13 :: -0.171(S) HD21 :: 0.190 HD22 :: 0.190 HD23 :: 0.190 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.176 Ave N Shift Values>> N :: 121.98(4.07) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.19 M 0.01 C Shift Assignments>> CA :: 59.677 CB :: 31.577 CG :: 24.089 CD :: 28.516 CE :: 41.498 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.264 HA :: 3.466 HB2 :: 1.467 HB3 :: 1.467 HG2 :: 1.054 HG3 :: 1.128 HD2 :: 1.349 HD3 :: 1.479 HE2 :: 2.708 HE3 :: 2.708 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.347 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.42 K 0.08 M 0.02 Q 0.02 C Shift Assignments>> CA :: 59.145 CB :: 29.180 CG :: 36.658 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.355 HA :: 3.738 HB2 :: 1.832 HB3 :: 1.832 HG2 :: 2.064 HG3 :: 2.234 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.166 Ave N Shift Values>> N :: 120.68(3.68) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.36 C 0.03 V 0.01 C Shift Assignments>> CA :: 55.364 CB :: 18.505 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.220 HA :: 4.187 HB1 :: 1.640 HB2 :: 1.640 HB3 :: 1.640 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.540 Ave N Shift Values>> N :: 123.23(3.7) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.48 C Shift Assignments>> CA :: 57.252 CB :: 40.193 CG :: 27.231 CD1 :: 23.143 CD2 :: 24.633 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.143 HA :: 4.217 HB2 :: 1.429 HB3 :: 1.615 HG :: 1.755 HD11 :: 0.603 HD12 :: 0.603 HD13 :: 0.603 HD21 :: 0.547 HD22 :: 0.547 HD23 :: 0.547 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.110 Ave N Shift Values>> N :: 121.98(4.07) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.35 R 0.03 C Shift Assignments>> CA :: 57.247 CB :: 41.660 CG :: 26.599 CD1 :: 23.252 CD2 :: 24.921 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.754 HA :: 4.042 HB2 :: 1.482 HB3 :: 1.724 HG :: 1.610 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 HD21 :: 0.724 HD22 :: 0.724 HD23 :: 0.724 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.655 Ave N Shift Values>> N :: 121.98(4.07) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.23 C 0.14 Y 0.07 F 0.06 L 0.05 C Shift Assignments>> CA :: 53.052 CB :: 39.237 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.475 HA :: 4.746 HB2 :: 2.694 HB3 :: 2.969 HD21 :: 7.444 HD22 :: 6.833 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.379 ND2 :: 113.237 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> CA :: 45.811 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.674 HA2 :: 3.662 HA3 :: 4.210 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.130 Ave N Shift Values>> N :: 109.91(4.29) 1.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.35 A 0.2 C Shift Assignments>> CA :: 55.077 CB :: 32.646 CG :: 33.092 CE :: 17.348 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.731 HA :: 4.527 HB2 :: 1.626 HB3 :: 2.362 HG2 :: 2.463 HG3 :: 2.637 HE1 :: 1.919 HE2 :: 1.919 HE3 :: 1.919 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.621 Ave N Shift Values>> N :: 120.1(3.88) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.39 R 0.11 M 0.01 G 0.01 C Shift Assignments>> CA :: 54.117 CB :: 34.837 CG :: 24.476 CD :: 28.781 CE :: 42.115 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.594 HA :: 4.673 HB2 :: 1.568 HB3 :: 1.904 HG2 :: 1.306 HG3 :: 1.364 HD2 :: 1.575 HD3 :: 1.575 HE2 :: 2.850 HE3 :: 2.899 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.415 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.28 R 0.19 C Shift Assignments>> CA :: 61.319 CB :: 32.233 CG :: 26.369 CD :: 30.035 CE :: 41.428 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.050 HA :: 3.816 HB2 :: 1.719 HB3 :: 1.750 HG2 :: 1.200 HG3 :: 1.348 HD2 :: 1.492 HD3 :: 1.532 HE2 :: 2.680 HE3 :: 2.775 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.938 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 E 0.38 K 0.06 Q 0.01 C Shift Assignments>> CA :: 59.738 CB :: 28.530 CG :: 36.910 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.129 HA :: 4.049 HB2 :: 1.945 HB3 :: 1.999 HG2 :: 2.215 HG3 :: 2.338 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.163 Ave N Shift Values>> N :: 120.68(3.68) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.21 C 0.17 D 0.13 L 0.11 K 0.07 N 0.03 C Shift Assignments>> CA :: 56.900 CB :: 40.180 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.829 HA :: 4.202 HB2 :: 2.067 HB3 :: 2.412 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.868 Ave N Shift Values>> N :: 120.73(4.2) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 C 0.17 L 0.1 D 0.09 K 0.09 N 0.01 R 0.01 C Shift Assignments>> CA :: 57.464 CB :: 40.396 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.909 HA :: 4.745 HB2 :: 3.079 HB3 :: 3.954 HD1 :: 7.424 HD2 :: 7.442 HE1 :: 7.200 HE2 :: 7.200 HZ :: 7.066 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 116.115 Ave N Shift Values>> N :: 120.69(4.18) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.27 G 0.11 R 0.08 C Shift Assignments>> CA :: 56.197 CB :: 43.590 CG :: 26.979 CD1 :: 25.045 CD2 :: 24.544 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.974 HA :: 3.896 HB2 :: 1.404 HB3 :: 1.515 HG :: 1.198 HD11 :: 0.520 HD12 :: 0.520 HD13 :: 0.520 HD21 :: 0.544 HD22 :: 0.544 HD23 :: 0.544 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.224 Ave N Shift Values>> N :: 121.98(4.07) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> CA :: 61.739 CB :: 33.333 CG1 :: 21.500 CG2 :: 21.313 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.648 HA :: 3.862 HB :: 1.136 HG11 :: 0.577 HG12 :: 0.577 HG13 :: 0.577 HG21 :: 0.416 HG22 :: 0.416 HG23 :: 0.416 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.077 Ave N Shift Values>> N :: 121.02(4.96) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.37 R 0.14 M 0.02 C Shift Assignments>> CA :: 55.341 CB :: 33.813 CG :: 24.654 CD :: 29.161 CE :: 42.007 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.077 HA :: 4.387 HB2 :: 1.489 HB3 :: 1.633 HG2 :: 1.200 HG3 :: 1.200 HD2 :: 1.482 HD3 :: 1.482 HE2 :: 2.798 HE3 :: 2.798 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.896 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 K 0.12 C 0.11 N 0.09 F 0.08 Y 0.07 R 0.03 C Shift Assignments>> CA :: 54.327 CB :: 41.138 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.332 HA :: 4.534 HB2 :: 2.446 HB3 :: 2.588 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.944 Ave N Shift Values>> N :: 120.73(4.2) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 61.564 CB :: 69.719 CG2 :: 21.570 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.950 HA :: 4.184 HB :: 4.092 HG21 :: 1.034 HG22 :: 1.034 HG23 :: 1.034 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.734 Ave N Shift Values>> N :: 115.7(5.05) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.09 Q 0.06 C Shift Assignments>> CA :: 56.427 CB :: 30.177 CG :: 36.097 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.289 HA :: 4.163 HB2 :: 1.787 HB3 :: 1.927 HG2 :: 2.094 HG3 :: 2.127 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.650 Ave N Shift Values>> N :: 120.68(3.68) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.13 K 0.08 Q 0.06 C Shift Assignments>> CA :: 56.355 CB :: 30.442 CG :: 36.070 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.192 HA :: 4.145 HB2 :: 1.753 HB3 :: 1.921 HG2 :: 2.119 HG3 :: 2.119 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.892 Ave N Shift Values>> N :: 120.68(3.68) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.39 M 0.13 K 0.04 Q 0.02 C Shift Assignments>> CA :: 57.980 CB :: 30.998 CG :: 36.363 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.892 HA :: 3.942 HB2 :: 1.726 HB3 :: 1.873 HG2 :: 2.056 HG3 :: 2.056 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.940 Ave N Shift Values>> N :: 120.68(3.68) 2.DG1 Overall Status: Residue type DG not supported. 2.DC2 Overall Status: Residue type DC not supported. 2.DG3 Overall Status: Residue type DG not supported. 2.DA4 Overall Status: Residue type DA not supported. 2.DT5 Overall Status: Residue type DT not supported. 2.DA6 Overall Status: Residue type DA not supported. 2.DA7 Overall Status: Residue type DA not supported. 2.DT8 Overall Status: Residue type DT not supported. 2.DT9 Overall Status: Residue type DT not supported. 2.DG10 Overall Status: Residue type DG not supported. 2.DA11 Overall Status: Residue type DA not supported. 2.DT12 Overall Status: Residue type DT not supported. 2.DA13 Overall Status: Residue type DA not supported. 2.DG14 Overall Status: Residue type DG not supported. 2.DG15 Overall Status: Residue type DG not supported. 3.DC1 Overall Status: Residue type DC not supported. 3.DC2 Overall Status: Residue type DC not supported. 3.DT3 Overall Status: Residue type DT not supported. 3.DA4 Overall Status: Residue type DA not supported. 3.DT5 Overall Status: Residue type DT not supported. 3.DC6 Overall Status: Residue type DC not supported. 3.DA7 Overall Status: Residue type DA not supported. 3.DA8 Overall Status: Residue type DA not supported. 3.DT9 Overall Status: Residue type DT not supported. 3.DT10 Overall Status: Residue type DT not supported. 3.DA11 Overall Status: Residue type DA not supported. 3.DT12 Overall Status: Residue type DT not supported. 3.DC13 Overall Status: Residue type DC not supported. 3.DG14 Overall Status: Residue type DG not supported. 3.DC15 Overall Status: Residue type DC not supported. ########################################################################### Overall Results: #Consistent: 51 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 52 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 57 #Suspicious: 0 C Shift Results: #Consistent: 151 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 340 #Duplicate: 0 #Unknown: 0 #Suspicious: 15 #Anomalous: 0 N Shift Results: #Consistent: 59 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N20 HB2 = 1.382(S), Expected = 2.80, Std = 0.3400, ChiSquare = 3.0381e-05 1.Q24 HB2 = 0.769(S), Expected = 2.05, Std = 0.2800, ChiSquare = 4.7622e-06 1.G28 HA2 = 0.844(S), Expected = 3.95, Std = 0.4000, ChiSquare = 8.1645e-15 1.Q32 HA = 2.702(S), Expected = 4.28, Std = 0.4400, ChiSquare = 3.3532e-04 1.Q32 HB2 = 0.710(S), Expected = 2.05, Std = 0.2800, ChiSquare = 1.7038e-06 1.Q32 HG2 = 1.075(S), Expected = 2.32, Std = 0.2900, ChiSquare = 1.7619e-05 1.P33 HG2 = 0.276(S), Expected = 1.93, Std = 0.3600, ChiSquare = 4.3390e-06 1.P33 HD2 = 1.393(S), Expected = 3.64, Std = 0.3600, ChiSquare = 4.3293e-10 1.P33 HD3 = 1.670(S), Expected = 3.63, Std = 0.4000, ChiSquare = 9.5837e-07 1.L36 H = 5.622(S), Expected = 8.22, Std = 0.6500, ChiSquare = 6.4171e-05 1.L36 HB2 = -1.166(S), Expected = 1.63, Std = 0.3400, ChiSquare = 1.9760e-16 1.L36 HB3 = 0.301(S), Expected = 1.57, Std = 0.3600, ChiSquare = 4.2348e-04 1.L36 HD11 = -0.171(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.9180e-04 1.L36 HD12 = -0.171(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.9180e-04 1.L36 HD13 = -0.171(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.9180e-04