Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.16 E 0.15 R 0.15 H 0.14 Q 0.1 M 0.07 V 0.02 I 0.01 C Shift Assignments>> C :: 177.208(D) CA :: 57.8606(D) CB :: 30.6836(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) H Shift Assignments>> H :: 8.09203(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.093(D) Ave N Shift Values>> N :: 120.09(3.57) 1.S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.793(D) CA :: 61.4966(D) CB :: 62.7706(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.07203(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.118(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 R 0.15 W 0.14 H 0.13 E 0.12 M 0.12 Q 0.07 V 0.04 C Shift Assignments>> C :: 177.302(D) CA :: 58.0386(D) CB :: 31.4816(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 :: 7.91603(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.693(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Y4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 I 0.26 F 0.25 C 0.16 L 0.01 HN Overlap>> 1.F35 1.F35 C Shift Assignments>> C :: 176.168(D) CA :: 59.8106(D) CB :: 39.1706(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 :: 7.79303(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.865(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.48 C 0.17 Y 0.17 F 0.14 C Shift Assignments>> C :: 175.1(D) CA :: 61.6436(D) CB :: 38.5296(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 :: 7.63903(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 :: 115.013(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.16 H 0.16 E 0.14 W 0.14 C 0.14 Q 0.11 M 0.09 V 0.01 C Shift Assignments>> C :: 176.395(D) CA :: 56.7226(D) CB :: 30.7296(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.70003(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.643(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.V7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.43 P 0.32 C 0.18 W 0.02 C Shift Assignments>> C :: 176.094(D) CA :: 62.6716(D) CB :: 32.6096(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 :: 8.14103(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 :: 119.052(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.35(D) CA :: 61.8046(D) CB :: 69.8566(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 :: 7.93803(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.304(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.16 E 0.15 W 0.14 C 0.13 Q 0.13 M 0.08 C Shift Assignments>> C :: 176.065(D) CA :: 56.5986(D) CB :: 30.4416(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 :: 8.34703(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.456(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.28 F 0.1 N 0.08 Y 0.07 C 0.06 R 0.03 HN Overlap>> 1.D13 1.D13 C Shift Assignments>> C :: 176.226(D) CA :: 54.4226(D) CB :: 41.4676(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 :: 8.31103(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 :: 121.291(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.15 E 0.15 W 0.15 Q 0.14 C 0.13 M 0.07 I 0.01 C Shift Assignments>> C :: 176.157(D) CA :: 56.6776(D) CB :: 30.1536(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 :: 8.42703(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 :: 121.405(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.42 D 0.24 F 0.08 L 0.07 C 0.07 Y 0.07 C Shift Assignments>> C :: 174.689(D) CA :: 53.3086(D) CB :: 39.4066(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 :: 8.44803(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 :: 119.552(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 L 0.26 N 0.1 F 0.09 Y 0.07 C 0.06 R 0.02 HN Overlap>> 1.D10 1.D10 C Shift Assignments>> C :: 175.768(D) CA :: 54.1646(D) CB :: 41.3246(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 :: 8.28803(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 :: 121.316(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.19 Q 0.16 R 0.16 C 0.13 W 0.13 E 0.1 M 0.08 C Shift Assignments>> C :: 174.306(D) CA :: 54.2636(D) CB :: 29.9296(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 :: 8.20603(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.306(D) Ave N Shift Values>> N :: 120.67(3.48) 1.P15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.39 V 0.38 C 0.15 W 0.03 I 0.01 C Shift Assignments>> C :: 176.595(D) CA :: 62.9196(D) CB :: 32.0846(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.I16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 Y 0.22 F 0.2 C 0.16 C Shift Assignments>> C :: 175.579(D) CA :: 60.9246(D) CB :: 38.9976(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 :: 8.20503(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 :: 121.155(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.17 C 0.13 W 0.13 E 0.12 Q 0.12 M 0.11 C Shift Assignments>> C :: 175.482(D) CA :: 55.6886(D) CB :: 30.8076(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 :: 8.31003(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 :: 125.536(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>> Y 0.3 F 0.25 C 0.19 I 0.14 E 0.03 D 0.02 L 0.02 N 0.01 C Shift Assignments>> C :: 174.371(D) CA :: 58.2896(D) CB :: 38.5626(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 :: 8.37503(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 :: 124.483(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.21 P 0.2 T 0.19 I 0.15 S 0.14 C 0.03 F 0.01 Y 0.01 C Shift Assignments>> C :: 176.36(D) CA :: 62.9926(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.S20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 59.0946(D) CB :: 63.6446(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.01903(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.251(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 L 0.26 N 0.11 F 0.09 Y 0.06 C 0.05 R 0.02 HN Overlap>> 1.L27 1.L27 C Shift Assignments>> C :: 175.989(D) CA :: 53.9526(D) CB :: 41.3626(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 :: 8.32803(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 :: 123.806(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 D 0.26 F 0.11 R 0.09 Y 0.08 C 0.06 N 0.03 C Shift Assignments>> C :: 177.543(D) CA :: 55.2066(D) CB :: 41.8926(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 :: 8.35003(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 :: 123.259(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 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.811(D) CA :: 46.0186(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.48903(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.07(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.7446(D) CA :: 65.1346(D) CB :: 68.9886(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 :: 8.30803(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 :: 117.914(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.47 V 0.24 C 0.18 P 0.07 W 0.01 C Shift Assignments>> C :: 178.938(D) CA :: 65.9636(D) CB :: 29.4036 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 :: 8.75303(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 :: 123.71(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.2 L 0.17 C 0.11 R 0.1 D 0.06 I 0.05 HN Overlap>> 1.D22 1.D22 C Shift Assignments>> C :: 178.373(D) CA :: 58.3276(D) CB :: 41.8596(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 :: 8.32803(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 :: 123.846(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.2 L 0.18 C 0.11 D 0.08 R 0.07 I 0.05 HN Overlap>> 1.D65 1.D65 C Shift Assignments>> C :: 179.25(D) CA :: 58.0536(D) CB :: 41.6746(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 :: 8.37303(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 :: 118.51(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.163 CA :: 61.4776(D) CB :: 62.7446(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.35803(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.647(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.N70 1.N70 C Shift Assignments>> C :: 176.063(D) CA :: 66.2086(D) CB :: 68.5436(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 :: 8.06903(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 :: 117.664(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.62 P 0.25 C 0.09 I 0.02 C Shift Assignments>> C :: 177.373(D) CA :: 66.3576(D) CB :: 31.7226(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 :: 8.12003(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 :: 119.968(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.91(D) CA :: 65.3476(D) CB :: 68.9276(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 :: 8.14903(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 :: 111.52(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.72 M 0.23 C 0.02 C Shift Assignments>> C :: 178.616(D) CA :: 53.8566(D) CB :: 18.9376(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.53703(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.679(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.2 H 0.16 W 0.14 C 0.13 E 0.13 R 0.12 M 0.04 L 0.03 I 0.01 C Shift Assignments>> C :: 175.204(D) CA :: 55.6386(D) CB :: 28.8736(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 :: 7.68003(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.284(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.2 F 0.2 D 0.18 N 0.14 C 0.12 L 0.09 I 0.02 HN Overlap>> 1.Y4 1.Y4 C Shift Assignments>> C :: 175.234(D) CA :: 55.7526(D) CB :: 39.3566(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 :: 7.78503(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 :: 117.791(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.26 V 0.21 P 0.18 T 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 177.53(D) CA :: 64.6906(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.G37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.126(D) CA :: 45.8326(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.48003(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.704(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 M 0.13 C 0.02 C Shift Assignments>> C :: 177.612(D) CA :: 53.3006(D) CB :: 19.3106(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.10303(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.411(D) Ave N Shift Values>> N :: 123.23(3.54) 1.C39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 I 0.2 W 0.14 R 0.12 Q 0.1 E 0.09 H 0.07 L 0.03 C Shift Assignments>> C :: 174.353(D) CA :: 59.3646(D) CB :: 28.0376(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.04703(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.844(D) Ave N Shift Values>> N :: 120.17(4.64) 1.G40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.957(D) CA :: 45.5996(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.03603(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.796(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 D 0.23 R 0.16 F 0.09 Y 0.06 C 0.05 N 0.02 C Shift Assignments>> C :: 175.714(D) CA :: 55.1216(D) CB :: 42.2646(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 :: 8.00103(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 :: 120.579(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 M 0.17 R 0.15 H 0.14 W 0.12 E 0.11 Q 0.06 V 0.03 C Shift Assignments>> C :: 180.398(D) CA :: 57.2096(D) CB :: 31.8246(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.66803(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.813(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Y43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.17 T 0.13 V 0.12 C 0.12 S 0.09 F 0.08 Y 0.08 W 0.06 E 0.02 R 0.02 H 0.01 P 0.01 Q 0.01 M 0.01 C Shift Assignments>> CA :: 60.5666(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 :: 8.53103(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.475(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R44 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N45 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.26 P 0.22 V 0.18 T 0.15 I 0.11 C 0.02 C Shift Assignments>> C :: 177.053(D) CA :: 63.7216(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.V47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.39 P 0.39 C 0.15 W 0.02 I 0.01 HN Overlap>> 1.V57 1.V57 C Shift Assignments>> C :: 176.447(D) CA :: 63.0296(D) CB :: 32.1956(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 :: 8.09203(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 :: 118.149(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.745(D) CA :: 58.4626(D) CB :: 64.2036(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.48203(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.399(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 R 0.16 E 0.15 W 0.15 C 0.13 Q 0.13 M 0.07 C Shift Assignments>> C :: 176.175(D) CA :: 56.7446(D) CB :: 30.3236(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 :: 8.54703(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 :: 121.859(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M51 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.14 C 0.13 Y 0.11 F 0.11 W 0.09 E 0.07 R 0.05 H 0.04 Q 0.04 I 0.04 M 0.03 V 0.02 T 0.02 L 0.02 C Shift Assignments>> C :: 174.796(D) CA :: 58.7906(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.45003(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 :: 117.716(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.802(D) CA :: 45.4206(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.35603(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.064(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.43 C 0.24 P 0.19 W 0.04 R 0.01 M 0.01 Q 0.01 H 0.01 E 0.01 C Shift Assignments>> C :: 175.015(D) CA :: 61.8796(D) CB :: 32.8976(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 :: 7.86903(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 :: 118.424(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R55 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L56 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.42 P 0.26 C 0.21 W 0.03 R 0.01 H 0.01 HN Overlap>> 1.V47 1.V47 C Shift Assignments>> C :: 175.657(D) CA :: 62.2206(D) CB :: 32.6036(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 :: 8.07203 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.077 Ave N Shift Values>> N :: 121.14(4.54) 1.E58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.17 E 0.16 C 0.15 H 0.14 R 0.13 Q 0.13 M 0.04 I 0.02 V 0.01 C Shift Assignments>> C :: 177.002(D) CA :: 57.8416(D) CB :: 29.8246(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 :: 8.85303(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.855(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.386(D) CA :: 45.6226(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.38503(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.762(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.53 C 0.16 Y 0.15 F 0.13 C Shift Assignments>> C :: 175.508(D) CA :: 62.0726(D) CB :: 38.6956(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 :: 7.79403(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 :: 118.724(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.33 D 0.24 R 0.15 F 0.1 Y 0.06 C 0.05 N 0.02 C Shift Assignments>> C :: 176.25(D) CA :: 55.1276(D) CB :: 42.2256(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 :: 8.01103(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 :: 120.855(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 H 0.17 M 0.14 C 0.14 W 0.12 E 0.12 Q 0.1 C Shift Assignments>> C :: 174.329(D) CA :: 55.7026(D) CB :: 31.0996(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.88703(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.281(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 175.35(D) CA :: 50.5996(D) CB :: 18.4216(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.12503(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.72(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.44 V 0.38 C 0.12 W 0.02 I 0.01 C Shift Assignments>> C :: 176.584(D) CA :: 63.5616(D) CB :: 31.9676(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.D65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.27 N 0.1 F 0.1 Y 0.07 C 0.06 R 0.02 HN Overlap>> 1.L28 1.L28 C Shift Assignments>> C :: 176.018(D) CA :: 54.2416(D) CB :: 41.3556(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 :: 8.26903(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 :: 118.499(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.09 C 0.01 C Shift Assignments>> C :: 177.574(D) CA :: 52.5986(D) CB :: 19.2926(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.13003(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.572(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 175.253(D) CA :: 45.6766(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.28103(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.256(D) Ave N Shift Values>> N :: 109.67(3.87) 1.W68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.19 W 0.18 E 0.15 R 0.12 H 0.11 Q 0.09 I 0.04 M 0.03 V 0.03 C Shift Assignments>> C :: 177.408(D) CA :: 59.1156(D) CB :: 30.1516(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.41403(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.238(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 175.163(D) CA :: 46.7296(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.74003(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.645(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.29 Y 0.16 D 0.15 F 0.15 C 0.13 L 0.06 I 0.01 E 0.01 M 0.01 HN Overlap>> 1.T30 1.T30 C Shift Assignments>> C :: 176.142(D) CA :: 54.9216(D) CB :: 38.7536(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 :: 8.08403(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 :: 117.706(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 R 0.18 F 0.17 Y 0.12 D 0.12 C 0.08 I 0.01 C Shift Assignments>> C :: 177.442(D) CA :: 57.0256(D) CB :: 42.1966(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 :: 8.03403(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 :: 119.631(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.44 V 0.41 C 0.1 I 0.01 W 0.01 C Shift Assignments>> C :: 175.873(D) CA :: 64.4036(D) CB :: 31.8896(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 :: 7.54703(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 :: 114.555(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Y73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 I 0.25 F 0.23 C 0.18 E 0.01 C Shift Assignments>> C :: 176.116(D) CA :: 59.5376(D) CB :: 38.6636(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 :: 7.46703(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.685(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.41 P 0.4 C 0.14 W 0.02 C Shift Assignments>> C :: 175.143(D) CA :: 63.3046(D) CB :: 32.3456(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 :: 7.58803(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 :: 114.737(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.39 P 0.28 C 0.2 W 0.04 R 0.01 H 0.01 E 0.01 C Shift Assignments>> C :: 174.47(D) CA :: 62.1816(D) CB :: 32.3096(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 :: 7.43803(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 :: 114.392(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.44 D 0.26 L 0.08 C 0.07 F 0.06 Y 0.06 C Shift Assignments>> C :: 173.395(D) CA :: 52.8726(D) CB :: 39.5596(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 :: 7.75703(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 :: 119.433(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.28 I 0.22 C 0.16 L 0.02 D 0.01 C Shift Assignments>> C :: 179.37(D) CA :: 59.4686(D) CB :: 39.4836(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 :: 7.39103(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 :: 124.854(D) Ave N Shift Values>> N :: 120.52(4.2) ########################################################################### Overall Results: #Consistent: 7 #Clerical: 70 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 70 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 77 #Suspicious: 0 C Shift Results: #Consistent: 2 #Duplicate: 194 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 1 #Duplicate: 64 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 1 #Duplicate: 64 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.M1 C = 177.208(D), Expected = 176.18, Std = 2.0900, ChiSquare = 6.2281e-01 1.M1 CA = 57.8606(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.3244e-01 1.M1 CB = 30.6836(D), Expected = 32.99, Std = 2.2400, ChiSquare = 3.0318e-01 1.M1 H = 8.09203(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.7952e-01 1.M1 N = 120.093(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.9933e-01 1.S2 C = 175.793(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.9525e-01 1.S2 CA = 61.4966(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.7981e-01 1.S2 CB = 62.7706(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.8672e-01 1.S2 H = 8.07203(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.2447e-01 1.S2 N = 114.118(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.3908e-01 1.E3 C = 177.302(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.2467e-01 1.E3 CA = 58.0386(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.3098e-01 1.E3 CB = 31.4816(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.9223e-01 1.E3 H = 7.91603(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.8290e-01 1.E3 N = 119.693(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7890e-01 1.Y4 C = 176.168(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.9955e-01 1.Y4 CA = 59.8106(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.0314e-01 1.Y4 CB = 39.1706(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.4486e-01 1.Y4 H = 7.79303(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.7037e-01 1.Y4 N = 117.865(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.2729e-01 1.I5 C = 175.1(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.9607e-01 1.I5 CA = 61.6436(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.9000e-01 1.I5 CB = 38.5296(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.6036e-01 1.I5 H = 7.63903(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.4588e-01 1.I5 N = 115.013(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.3199e-01 1.R6 C = 176.395(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.9410e-01 1.R6 CA = 56.7226(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.8363e-01 1.R6 CB = 30.7296(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.8709e-01 1.R6 H = 7.70003(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.7605e-01 1.R6 N = 121.643(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.1881e-01 1.V7 C = 176.094(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.0299e-01 1.V7 CA = 62.6716(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.4937e-01 1.V7 CB = 32.6096(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.4637e-01 1.V7 H = 8.14103(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2405e-01 1.V7 N = 119.052(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.4558e-01 1.T8 C = 174.35(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.1403e-01 1.T8 CA = 61.8046(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.7258e-01 1.T8 CB = 69.8566(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.3809e-01 1.T8 H = 7.93803(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.2622e-01 1.T8 N = 115.304(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.8052e-01 1.E9 C = 176.065(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.7974e-01 1.E9 CA = 56.5986(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.2997e-01 1.E9 CB = 30.4416(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.0187e-01 1.E9 H = 8.34703(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7697e-01 1.E9 N = 122.456(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.0780e-01 1.D10 C = 176.226(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.2080e-01 1.D10 CA = 54.4226(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.9520e-01 1.D10 CB = 41.4676(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.1682e-01 1.D10 H = 8.31103(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.9858e-01 1.D10 N = 121.291(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.6811e-01 1.E11 C = 176.157(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.1463e-01 1.E11 CA = 56.6776(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.5856e-01 1.E11 CB = 30.1536(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.3346e-01 1.E11 H = 8.42703(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.6937e-01 1.E11 N = 121.405(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.3273e-01 1.N12 C = 174.689(D), Expected = 175.27, Std = 1.7900, ChiSquare = 7.4550e-01 1.N12 CA = 53.3086(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.0204e-01 1.N12 CB = 39.4066(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.7155e-01 1.N12 H = 8.44803(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.6385e-01 1.N12 N = 119.552(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.7734e-01 1.D13 C = 175.768(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.1799e-01 1.D13 CA = 54.1646(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.9578e-01 1.D13 CB = 41.3246(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.8374e-01 1.D13 H = 8.28803(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.6978e-01 1.D13 N = 121.316(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.6301e-01 1.E14 C = 174.306(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.8855e-01 1.E14 CA = 54.2636(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4363e-01 1.E14 CB = 29.9296(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.6272e-01 1.E14 H = 8.20603(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.3358e-01 1.E14 N = 122.306(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.3827e-01 1.P15 C = 176.595(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.1824e-01 1.P15 CA = 62.9196(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.8716e-01 1.P15 CB = 32.0846(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.4241e-01 1.I16 C = 175.579(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.8775e-01 1.I16 CA = 60.9246(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.9815e-01 1.I16 CB = 38.9976(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.5560e-01 1.I16 H = 8.20503(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.1221e-01 1.I16 N = 121.155(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.4319e-01 1.E17 C = 175.482(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.7659e-01 1.E17 CA = 55.6886(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.3505e-01 1.E17 CB = 30.8076(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.4285e-01 1.E17 H = 8.31003(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7300e-01 1.E17 N = 125.536(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.6203e-01 1.I18 C = 174.371(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.4111e-01 1.I18 CA = 58.2896(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.1536e-01 1.I18 CB = 38.5626(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.7338e-01 1.I18 H = 8.37503(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.8886e-01 1.I18 N = 124.483(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.8000e-01 1.P19 C = 176.36(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.9619e-01 1.P19 CA = 62.9926(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.2433e-01 1.S20 CA = 59.0946(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.5639e-01 1.S20 CB = 63.6446(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.1638e-01 1.S20 H = 8.01903(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.5826e-01 1.S20 N = 117.251(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.8266e-01 1.D22 C = 175.989(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.1432e-01 1.D22 CA = 53.9526(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.1642e-01 1.D22 CB = 41.3626(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.6578e-01 1.D22 H = 8.32803(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7520e-01 1.D22 N = 123.806(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.1358e-01 1.D23 C = 177.543(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.1366e-01 1.D23 CA = 55.2066(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.9912e-01 1.D23 CB = 41.8926(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.3193e-01 1.D23 H = 8.35003(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.4498e-01 1.D23 N = 123.259(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.9910e-01 1.G24 C = 174.811(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.1670e-01 1.G24 CA = 46.0186(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.1781e-01 1.G24 H = 8.48903(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0672e-01 1.G24 N = 108.07(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.7929e-01 1.T25 C = 176.7446(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.1035e-01 1.T25 CA = 65.1346(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.6045e-01 1.T25 CB = 68.9886(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.4922e-01 1.T25 H = 8.30803(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.1263e-01 1.T25 N = 117.914(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.9955e-01 1.V26 C = 178.938(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.0756e-02 1.V26 CA = 65.9636(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.2454e-01 1.V26 H = 8.75303(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.8951e-01 1.V26 N = 123.71(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.7134e-01 1.L27 C = 178.373(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.8487e-01 1.L27 CA = 58.3276(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.0367e-01 1.L27 CB = 41.8596(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.1066e-01 1.L27 H = 8.32803(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8012e-01 1.L27 N = 123.846(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1059e-01 1.L28 C = 179.25(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.5370e-01 1.L28 CA = 58.0536(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5323e-01 1.L28 CB = 41.6746(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.3538e-01 1.L28 H = 8.37303(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.2584e-01 1.L28 N = 118.51(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.9035e-01 1.S29 CA = 61.4776(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.8280e-01 1.S29 CB = 62.7446(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.7578e-01 1.S29 H = 8.35803(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.9478e-01 1.S29 N = 115.647(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.5729e-01 1.T30 C = 176.063(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.8685e-01 1.T30 CA = 66.2086(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.2356e-01 1.T30 CB = 68.5436(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.6670e-01 1.T30 H = 8.06903(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.8273e-01 1.T30 N = 117.664(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.3663e-01 1.V31 C = 177.373(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.5620e-01 1.V31 CA = 66.3576(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7628e-01 1.V31 CB = 31.7226(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.7358e-01 1.V31 H = 8.12003(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.9974e-01 1.V31 N = 119.968(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.9629e-01 1.T32 C = 175.91(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.3633e-01 1.T32 CA = 65.3476(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.2721e-01 1.T32 CB = 68.9276(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.2253e-01 1.T32 H = 8.14903(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.8335e-01 1.T32 N = 111.52(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.1162e-01 1.A33 C = 178.616(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.8088e-01 1.A33 CA = 53.8566(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.1741e-01 1.A33 CB = 18.9376(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.6844e-01 1.A33 H = 7.53703(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.6918e-01 1.A33 N = 121.679(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.6129e-01 1.Q34 C = 175.204(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.7059e-01 1.Q34 CA = 55.6386(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.6339e-01 1.Q34 CB = 28.8736(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.6199e-01 1.Q34 H = 7.68003(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.6009e-01 1.Q34 N = 114.284(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.1942e-01 1.F35 C = 175.234(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.2553e-01 1.F35 CA = 55.7526(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.6515e-01 1.F35 CB = 39.3566(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.6184e-01 1.F35 H = 7.78503(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.2454e-01 1.F35 N = 117.791(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.2470e-01 1.P36 C = 177.53(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.0547e-01 1.P36 CA = 64.6906(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.7072e-01 1.G37 C = 175.126(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.0408e-01 1.G37 CA = 45.8326(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.1874e-01 1.G37 H = 8.48003(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1746e-01 1.G37 N = 107.704(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.1145e-01 1.A38 C = 177.612(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.5208e-01 1.A38 CA = 53.3006(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.3535e-01 1.A38 CB = 19.3106(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.6952e-01 1.A38 H = 8.10303(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7161e-01 1.A38 N = 123.411(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.5922e-01 1.C39 C = 174.353(D), Expected = 174.95, Std = 2.0700, ChiSquare = 7.7304e-01 1.C39 CA = 59.3646(D), Expected = 58.30, Std = 3.3300, ChiSquare = 7.4920e-01 1.C39 CB = 28.0376(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.5880e-01 1.C39 H = 8.04703(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.0872e-01 1.C39 N = 113.844(D), Expected = 120.17, Std = 4.6400, ChiSquare = 1.7277e-01 1.G40 C = 173.957(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6309e-01 1.G40 CA = 45.5996(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5223e-01 1.G40 H = 8.03603(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.5108e-01 1.G40 N = 107.796(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.2822e-01 1.L41 C = 175.714(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.1929e-01 1.L41 CA = 55.1216(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1499e-01 1.L41 CB = 42.2646(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8073e-01 1.L41 H = 8.00103(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.2464e-01 1.L41 N = 120.579(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.4256e-01 1.R42 C = 180.398(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.9468e-02 1.R42 CA = 57.2096(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.4907e-01 1.R42 CB = 31.8246(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.3886e-01 1.R42 H = 7.66803(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.4842e-01 1.R42 N = 124.813(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.7550e-01 1.Y43 CA = 60.5666(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.3167e-01 1.Y43 H = 8.53103(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.7252e-01 1.Y43 N = 118.475(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.2633e-01 1.P46 C = 177.053(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.4096e-01 1.P46 CA = 63.7216(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.9669e-01 1.V47 C = 176.447(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.6337e-01 1.V47 CA = 63.0296(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.5035e-01 1.V47 CB = 32.1956(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.6529e-01 1.V47 H = 8.09203(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6763e-01 1.V47 N = 118.149(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.1002e-01 1.S48 C = 174.745(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.4207e-01 1.S48 CA = 58.4626(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.0104e-01 1.S48 CB = 64.2036(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.8508e-01 1.S48 H = 8.48203(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3203e-01 1.S48 N = 116.399(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.7303e-01 1.Q49 C = 176.175(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.4481e-01 1.Q49 CA = 56.7446(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.3497e-01 1.Q49 CB = 30.3236(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.3338e-01 1.Q49 H = 8.54703(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.7938e-01 1.Q49 N = 121.859(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.8442e-01 1.R52 C = 174.796(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.2657e-01 1.R52 CA = 58.7906(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.8173e-01 1.R52 H = 8.45003(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.3061e-01 1.R52 N = 117.716(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.0201e-01 1.G53 C = 173.802(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.7115e-01 1.G53 CA = 45.4206(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5798e-01 1.G53 H = 8.35603(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6806e-01 1.G53 N = 110.064(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.1891e-01 1.V54 C = 175.015(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.5017e-01 1.V54 CA = 61.8796(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.3099e-01 1.V54 CB = 32.8976(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.2540e-01 1.V54 H = 7.86903(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.2980e-01 1.V54 N = 118.424(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.4968e-01 1.V57 C = 175.657(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.8446e-01 1.V57 CA = 62.2206(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.2495e-01 1.V57 CB = 32.6036(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.4370e-01 1.E58 C = 177.002(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.4603e-01 1.E58 CA = 57.8416(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.0292e-01 1.E58 CB = 29.8246(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.1416e-01 1.E58 H = 8.85303(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.7535e-01 1.E58 N = 123.855(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.6007e-01 1.G59 C = 174.386(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.8372e-01 1.G59 CA = 45.6226(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.3880e-01 1.G59 H = 8.38503(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3253e-01 1.G59 N = 108.762(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1450e-01 1.I60 C = 175.508(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.5862e-01 1.I60 CA = 62.0726(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.6296e-01 1.I60 CB = 38.6956(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.7409e-01 1.I60 H = 7.79403(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.7482e-01 1.I60 N = 118.724(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.2266e-01 1.L61 C = 176.25(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.0860e-01 1.L61 CA = 55.1276(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1718e-01 1.L61 CB = 42.2256(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.6419e-01 1.L61 H = 8.01103(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.3621e-01 1.L61 N = 120.855(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.9664e-01 1.H62 C = 174.329(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.4013e-01 1.H62 CA = 55.7026(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.2345e-01 1.H62 CB = 31.0996(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.7795e-01 1.H62 H = 7.88703(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.0371e-01 1.H62 N = 118.281(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.2465e-01 1.A63 C = 175.35(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.6183e-01 1.A63 CA = 50.5996(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.9948e-01 1.A63 CB = 18.4216(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.4781e-01 1.A63 H = 8.12503(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0056e-01 1.A63 N = 125.72(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.8181e-01 1.P64 C = 176.584(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.1246e-01 1.P64 CA = 63.5616(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.7890e-01 1.P64 CB = 31.9676(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.2061e-01 1.D65 C = 176.018(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.2721e-01 1.D65 CA = 54.2416(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.2518e-01 1.D65 CB = 41.3556(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.6908e-01 1.D65 H = 8.26903(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.4369e-01 1.D65 N = 118.499(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.7735e-01 1.A66 C = 177.574(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.3788e-01 1.A66 CA = 52.5986(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.8452e-01 1.A66 CB = 19.2926(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7727e-01 1.A66 H = 8.13003(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0716e-01 1.A66 N = 123.572(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2304e-01 1.G67 C = 175.253(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.6195e-01 1.G67 CA = 45.6766(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.0744e-01 1.G67 H = 8.28103(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3995e-01 1.G67 N = 106.256(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.7768e-01 1.W68 C = 177.408(D), Expected = 176.12, Std = 2.0100, ChiSquare = 5.2166e-01 1.W68 CA = 59.1156(D), Expected = 57.66, Std = 2.5800, ChiSquare = 5.7263e-01 1.W68 CB = 30.1516(D), Expected = 30.01, Std = 2.0100, ChiSquare = 9.4384e-01 1.W68 H = 8.41403(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.7525e-01 1.W68 N = 121.238(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.1579e-01 1.G69 C = 175.163(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.9160e-01 1.G69 CA = 46.7296(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.0322e-01 1.G69 H = 8.74003(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.2816e-01 1.G69 N = 106.645(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.3442e-01 1.N70 C = 176.142(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.2615e-01 1.N70 CA = 54.9216(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.6240e-01 1.N70 CB = 38.7536(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.6998e-01 1.N70 H = 8.08403(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.8452e-01 1.N70 N = 117.706(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.6134e-01 1.L71 C = 177.442(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.1943e-01 1.L71 CA = 57.0256(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.0931e-01 1.L71 CB = 42.1966(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.5190e-01 1.L71 H = 8.03403(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.6304e-01 1.L71 N = 119.631(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6763e-01 1.V72 C = 175.873(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.9407e-01 1.V72 CA = 64.4036(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.0344e-01 1.V72 CB = 31.8896(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.3871e-01 1.V72 H = 7.54703(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.6747e-01 1.V72 N = 114.555(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.4694e-01 1.Y73 C = 176.116(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.1900e-01 1.Y73 CA = 59.5376(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.7494e-01 1.Y73 CB = 38.6636(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.6121e-01 1.Y73 H = 7.46703(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.4262e-01 1.Y73 N = 117.685(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.9968e-01 1.V74 C = 175.143(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.0177e-01 1.V74 CA = 63.3046(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.7578e-01 1.V74 CB = 32.3456(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.2996e-01 1.V74 H = 7.58803(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.9477e-01 1.V74 N = 114.737(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.5844e-01 1.V75 C = 174.47(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.4500e-01 1.V75 CA = 62.1816(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1413e-01 1.V75 CB = 32.3096(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.1432e-01 1.V75 H = 7.43803(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.0352e-01 1.V75 N = 114.392(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.3719e-01 1.N76 C = 173.395(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.9488e-01 1.N76 CA = 52.8726(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.2259e-01 1.N76 CB = 39.5596(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.0686e-01 1.N76 H = 7.75703(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.5478e-01 1.N76 N = 119.433(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.0067e-01 1.Y77 C = 179.37(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.6046e-02 1.Y77 CA = 59.4686(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.9382e-01 1.Y77 CB = 39.4836(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.3963e-01 1.Y77 H = 7.39103(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.0317e-01 1.Y77 N = 124.854(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.0212e-01