Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.89 V 0.07 Y 0.01 F 0.01 C Shift Assignments>> C :: 177.719(D) CA :: 66.488(D) CB :: 37.382(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 :: 8.448(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 :: 117.733(D) Ave N Shift Values>> N :: 121.46(4.28) 1.D12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.35 Y 0.19 F 0.12 M 0.11 N 0.09 I 0.04 K 0.03 D 0.01 Q 0.01 C Shift Assignments>> C :: 177.324(D) CA :: 56.221(D) CB :: 36.85(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 :: 7.683(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 :: 117.197(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 R 0.21 F 0.17 L 0.17 Y 0.12 D 0.05 I 0.02 G 0.01 C Shift Assignments>> C :: 179.461(D) CA :: 58.151(D) CB :: 42.47(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.757(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 :: 122.525(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.69 V 0.21 P 0.09 C Shift Assignments>> C :: 177.66(D) CA :: 67.011(D) CB :: 28.947(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 :: 7.943(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 :: 121.718(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.46 K 0.13 P 0.1 R 0.09 M 0.07 E 0.06 Q 0.04 I 0.01 C Shift Assignments>> C :: 178.234(D) CA :: 60.65(D) CB :: 32.429(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.55(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.229(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.2 Q 0.19 R 0.18 E 0.16 I 0.15 L 0.06 M 0.01 C Shift Assignments>> C :: 179.362(D) CA :: 58.435(D) CB :: 28.187(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 :: 7.859(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.481(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.61 M 0.32 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 179.658(D) CA :: 55.056(D) CB :: 19.289(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.552(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.198(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.64 L 0.21 R 0.08 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.862(D) CA :: 44.692(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.109(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.502(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.32 E 0.27 R 0.2 I 0.06 M 0.05 L 0.04 K 0.02 C Shift Assignments>> C :: 176.572(D) CA :: 57.101(D) CB :: 28.853(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.316(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.421(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.35 F 0.34 I 0.13 D 0.06 L 0.06 N 0.02 HN Overlap>> 1.S42 1.S42 C Shift Assignments>> C :: 176.672 CA :: 57.953(D) CB :: 39.414(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 :: 8.065(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 :: 116.61(D) Ave N Shift Values>> N :: 120.52(4.2) 1.N21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.69 T 0.3 C Shift Assignments>> C :: 174.336(D) CA :: 55.993(D) CB :: 67.112(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.416(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 109.995(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.41 K 0.15 R 0.11 M 0.08 P 0.08 E 0.07 Q 0.04 I 0.01 C Shift Assignments>> C :: 178.293(D) CA :: 60.395(D) CB :: 32.307(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.921(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.214(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.21 K 0.2 I 0.19 Q 0.15 R 0.14 V 0.03 M 0.03 HN Overlap>> 1.E28 1.E28 C Shift Assignments>> C :: 178.728(D) CA :: 59.514(D) CB :: 29.252(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 :: 8.2(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.64(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.E25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.19 R 0.19 Q 0.19 I 0.17 E 0.15 L 0.06 M 0.01 C Shift Assignments>> C :: 178.827(D) CA :: 58.521(D) CB :: 28.111(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 :: 7.438(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 :: 117.351(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.57 M 0.38 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 178.234(D) CA :: 55.028(D) CB :: 18.991(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.809(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.167(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.21 E 0.18 K 0.17 V 0.16 M 0.13 Q 0.08 I 0.02 P 0.01 C Shift Assignments>> C :: 179.025(D) CA :: 59.23(D) CB :: 31.454(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 :: 8.397(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.763(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.26 I 0.18 Q 0.16 K 0.12 E 0.11 L 0.11 M 0.01 HN Overlap>> 1.R24 1.R24 C Shift Assignments>> C :: 177.126(D) CA :: 58.492(D) CB :: 27.579(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 :: 8.096(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 :: 119.671(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.67 A 0.26 I 0.06 C Shift Assignments>> C :: 179.48(D) CA :: 55.681(D) CB :: 17.761(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.187(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.202(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.94 F 0.02 Y 0.02 C Shift Assignments>> C :: 179.065(D) CA :: 66.273(D) CB :: 39.206 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 :: 7.505(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 :: 116.221(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.51 T 0.48 C Shift Assignments>> C :: 174.83(D) CA :: 62.155(D) CB :: 66.033(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.17(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 :: 116.473(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.53 M 0.41 I 0.02 V 0.01 C Shift Assignments>> C :: 178.57(D) CA :: 55.142(D) CB :: 18.89(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.655(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.083(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.64 V 0.18 Y 0.07 F 0.04 E 0.03 C Shift Assignments>> C :: 176.69(D) CA :: 63.064(D) CB :: 36.318(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.082(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.297(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.27 V 0.22 P 0.18 T 0.17 I 0.12 C Shift Assignments>> C :: 177.126(D) CA :: 64.711(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 :: 7.677(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 :: 106.968(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.23 K 0.16 L 0.13 D 0.08 I 0.06 R 0.01 C Shift Assignments>> C :: 180.331(D) CA :: 58.066(D) CB :: 41.03(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.158(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 :: 122.817(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.41 M 0.18 L 0.17 V 0.13 T 0.06 I 0.02 C Shift Assignments>> C :: 179.283(D) CA :: 56.164(D) CB :: 20.418(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.822(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.345(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.72 V 0.24 P 0.03 C Shift Assignments>> C :: 177.62(D) CA :: 68.118(D) CB :: 28.853(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 :: 7.83(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 :: 117.204(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 R 0.15 K 0.13 Q 0.11 E 0.11 L 0.03 P 0.02 V 0.01 C Shift Assignments>> C :: 177.957(D) CA :: 59.912(D) CB :: 28.035(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 :: 8.022(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.166(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.552(D) CA :: 67.181(D) CB :: 68.573(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 :: 8.427(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.505(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.62 A 0.25 I 0.1 V 0.01 C Shift Assignments>> C :: 179.54(D) CA :: 56.306(D) CB :: 18.492(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.394(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.865(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.36 F 0.33 I 0.23 L 0.02 D 0.02 E 0.01 C Shift Assignments>> C :: 181.321(D) CA :: 59.041(D) CB :: 39.13(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 :: 8.282(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.779(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.Y20 1.Y20 C Shift Assignments>> C :: 174.811(D) CA :: 62.155(D) CB :: 62.993(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.079(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.583(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.29 K 0.27 Q 0.17 R 0.16 E 0.07 V 0.02 C Shift Assignments>> C :: 176.779(D) CA :: 56.079(D) CB :: 32.639(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.186(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.671(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 174.299(D) CA :: 46.083(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.876(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.59(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.25 R 0.2 K 0.2 L 0.17 E 0.11 M 0.03 I 0.01 C Shift Assignments>> C :: 173.944(D) CA :: 54.801(D) CB :: 28.187(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 :: 7.652(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 :: 119.548(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 178.953(D) CA :: 57.47(D) CB :: 63.373(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.133(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 :: 114.016(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.44 V 0.2 E 0.11 Y 0.11 F 0.06 K 0.02 M 0.01 C Shift Assignments>> C :: 173.92(D) CA :: 61.701(D) CB :: 35.938(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 :: 8.763(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 :: 119.885(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.44 R 0.27 K 0.11 Q 0.11 E 0.02 I 0.01 C Shift Assignments>> C :: 174.019(D) CA :: 54.602(D) CB :: 26.439(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 :: 8.838(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 128.234(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.3 K 0.11 R 0.1 N 0.06 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 175.602(D) CA :: 52.983(D) CB :: 42.322(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 :: 8.672(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 :: 131.338(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.82 F 0.09 Y 0.08 HN Overlap>> 1.K61 1.K61 C Shift Assignments>> C :: 177.284(D) CA :: 64.171(D) CB :: 39.738(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 :: 8.551(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 :: 125.944(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 173.05(D) CA :: 46.651(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.869(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 119.837(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.31 I 0.26 Y 0.25 K 0.1 L 0.03 R 0.01 C Shift Assignments>> C :: 175.088(D) CA :: 60.679(D) CB :: 41.182(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.213(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.509(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 169.587(D) CA :: 45.941(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.802(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.055(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.46 E 0.17 M 0.14 Y 0.07 F 0.05 K 0.03 D 0.02 Q 0.01 C Shift Assignments>> C :: 176.037(D) CA :: 53.438(D) CB :: 36.546(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.437(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.32(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.24 Y 0.19 K 0.19 L 0.16 D 0.11 I 0.04 R 0.02 N 0.01 C Shift Assignments>> C :: 174.276(D) CA :: 57.498(D) CB :: 41.182(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.145(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.999(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.28 M 0.22 Q 0.19 E 0.15 K 0.12 C Shift Assignments>> C :: 173.168(D) CA :: 54.091(D) CB :: 30.77(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 :: 9.256(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 :: 119.411(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.83 T 0.16 C Shift Assignments>> C :: 174.316(D) CA :: 55.909(D) CB :: 66.793(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 :: 8.168(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 :: 109.927(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 M 0.09 L 0.01 C Shift Assignments>> C :: 177.601(D) CA :: 52.983(D) CB :: 19.599 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.943(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.456(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.26 K 0.24 E 0.18 R 0.18 M 0.06 L 0.02 I 0.01 C Shift Assignments>> C :: 175.919(D) CA :: 55.565(D) CB :: 29.175(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 :: 8.427(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.544(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.27 M 0.21 Q 0.17 E 0.17 K 0.14 C Shift Assignments>> C :: 175.028(D) CA :: 55.177(D) CB :: 30.912(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 :: 9.001(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 :: 125.824(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 M 0.27 Q 0.26 R 0.1 E 0.04 V 0.03 HN Overlap>> 1.I50 1.I50 C Shift Assignments>> C :: 177.106(D) CA :: 56.788(D) CB :: 33.354(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.486(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.875(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 C Shift Assignments>> C :: 173.346(D) CA :: 45.146(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.204(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.593(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 M 0.29 K 0.25 R 0.07 E 0.03 V 0.02 C Shift Assignments>> C :: 176.255(D) CA :: 56.192(D) CB :: 33.734(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.161(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.755(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.26 K 0.23 E 0.19 R 0.18 M 0.07 L 0.02 I 0.01 HN Overlap>> 1.K79 1.K79 C Shift Assignments>> C :: 175.939(D) CA :: 55.709(D) CB :: 29.251(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 :: 8.3(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 :: 121.294(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.13 R 0.02 F 0.01 C Shift Assignments>> C :: 172.872(D) CA :: 45.061(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.18(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.395(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 M 0.29 K 0.25 R 0.07 E 0.03 V 0.02 C Shift Assignments>> C :: 176.591(D) CA :: 56.164(D) CB :: 33.768(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.102(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.216(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.35 K 0.15 R 0.14 E 0.11 M 0.09 P 0.06 Q 0.04 I 0.02 C Shift Assignments>> C :: 174.642 CA :: 60.224(D) CB :: 31.909(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 :: 8.18(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 :: 124.149(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> S 0.29 P 0.21 V 0.19 T 0.16 I 0.12 C Shift Assignments>> C :: 177.66(D) CA :: 64.086(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.G69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 176.44(D) CA :: 45.771(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.49(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.658(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.139(D) CA :: 57.953(D) CB :: 64.986(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.907(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 :: 114.539(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.65 D 0.1 Y 0.08 F 0.06 E 0.02 L 0.02 M 0.02 C Shift Assignments>> C :: 175.226(D) CA :: 53.069(D) CB :: 37.99(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 :: 8.382(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.873(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 M 0.27 Q 0.24 R 0.11 E 0.05 V 0.03 C Shift Assignments>> C :: 176.156(D) CA :: 56.732(D) CB :: 33.171(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.063(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.482(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.138(D) CA :: 61.644(D) CB :: 70.765(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 :: 7.884(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 :: 113.768(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 Y 0.33 I 0.1 D 0.08 L 0.08 N 0.02 K 0.01 C Shift Assignments>> C :: 175.068(D) CA :: 57.782(D) CB :: 39.813(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 :: 8.114(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 :: 121.775(D) Ave N Shift Values>> N :: 120.52(4.2) 1.K75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.3 M 0.28 K 0.25 R 0.08 E 0.03 V 0.02 C Shift Assignments>> C :: 176.394(D) CA :: 56.306(D) CB :: 33.658(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.198(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.199(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.158(D) CA :: 61.928(D) CB :: 70.366(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 :: 8.113(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 :: 115.605(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.26 K 0.21 R 0.2 E 0.19 M 0.08 L 0.01 I 0.01 HN Overlap>> 1.R80 1.R80 C Shift Assignments>> C :: 175.365(D) CA :: 55.482(D) CB :: 29.456(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 :: 8.215(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 :: 121.463(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.59 D 0.17 Y 0.08 F 0.07 L 0.04 M 0.01 C Shift Assignments>> C :: 174.474(D) CA :: 53.154(D) CB :: 38.598(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 :: 8.397(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.677(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.28 K 0.27 Q 0.17 R 0.16 E 0.07 V 0.02 HN Overlap>> 1.E64 1.E64 C Shift Assignments>> C :: 176.453(D) CA :: 56.229(D) CB :: 32.639(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.358(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.212(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 K 0.27 Q 0.26 R 0.1 E 0.04 V 0.03 HN Overlap>> 1.E77 1.E77 C Shift Assignments>> C :: 175.543(D) CA :: 56.63(D) CB :: 33.354(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 :: 8.127(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 :: 121.454(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.V81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.17 Y 0.14 F 0.14 I 0.1 E 0.07 V 0.06 T 0.06 K 0.06 R 0.05 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 174.87 CA :: 59.434(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 :: 7.885(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.875(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> I 0.27 T 0.22 V 0.2 S 0.06 F 0.06 Y 0.05 P 0.05 E 0.01 R 0.01 K 0.01 C Shift Assignments>> C :: 175.325(D) CA :: 61.36(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.K83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.27 Y 0.19 N 0.18 F 0.13 M 0.09 I 0.03 D 0.03 K 0.02 L 0.01 C Shift Assignments>> C :: 173.55(D) CA :: 55.624(D) CB :: 37.089(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.917(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.647(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.26 D 0.15 K 0.11 F 0.06 Y 0.04 G 0.02 N 0.01 C Shift Assignments>> C :: 173.742(D) CA :: 55.085(D) CB :: 42.93(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.645(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.269(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.32 P 0.23 N 0.21 D 0.08 L 0.04 M 0.02 R 0.01 Q 0.01 C Shift Assignments>> C :: 178.51 CA :: 51.393(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.404(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.983(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> P 0.25 V 0.2 S 0.18 T 0.18 I 0.14 F 0.01 Y 0.01 C Shift Assignments>> C :: 175.167(D) CA :: 63.234(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.G87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.36 L 0.31 G 0.14 D 0.05 F 0.05 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.257(D) CA :: 43.698(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.082(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.881(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.51 K 0.13 Q 0.08 P 0.07 M 0.07 R 0.05 E 0.02 I 0.01 C Shift Assignments>> C :: 176.789(D) CA :: 60.769(D) CB :: 33.24(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.376(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.25(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.077(D) CA :: 66.5(D) CB :: 68.108(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 :: 8.168(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 :: 115.123(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.22 K 0.22 L 0.09 I 0.09 R 0.03 D 0.03 C Shift Assignments>> C :: 173.9(D) CA :: 59.032(D) CB :: 41.473(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.338(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 :: 121.686(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.53 P 0.22 K 0.07 R 0.05 M 0.03 E 0.03 Q 0.02 I 0.01 C Shift Assignments>> C :: 178.887(D) CA :: 61.36(D) CB :: 32.44(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.131(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.153(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.31 K 0.17 E 0.14 R 0.14 Q 0.14 L 0.03 M 0.01 P 0.01 V 0.01 C Shift Assignments>> C :: 178.353(D) CA :: 59.6(D) CB :: 28.255(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 :: 7.889(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.732(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 R 0.17 M 0.17 V 0.17 E 0.12 Q 0.08 C Shift Assignments>> C :: 179.223(D) CA :: 58.918(D) CB :: 32.241(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.339(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.262(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.63 P 0.34 I 0.01 C Shift Assignments>> C :: 177.324(D) CA :: 65.818(D) CB :: 32.062(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 :: 7.511(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 :: 115.111(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.25 Q 0.21 R 0.21 K 0.18 M 0.07 I 0.04 V 0.01 C Shift Assignments>> C :: 180.232(D) CA :: 57.825(D) CB :: 29.783(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 :: 8.013(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 :: 119.772(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.26 K 0.25 E 0.18 R 0.14 L 0.06 M 0.03 I 0.03 C Shift Assignments>> C :: 176.631(D) CA :: 56.471(D) CB :: 28.571(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 :: 8.036(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 :: 117.278(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.9 L 0.08 C Shift Assignments>> C :: 173.564(D) CA :: 45.703(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.628(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.91(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.16 D 0.13 M 0.13 Q 0.1 R 0.09 K 0.08 E 0.06 N 0.06 F 0.05 A 0.04 Y 0.04 S 0.01 C Shift Assignments>> C :: 177.917 CA :: 55.34(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.967(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.976(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 11 #Clerical: 87 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 87 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 98 #Suspicious: 0 C Shift Results: #Consistent: 7 #Duplicate: 238 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 84 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 84 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I11 C = 177.719(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.3034e-01 1.I11 CA = 66.488(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.8736e-02 1.I11 CB = 37.382(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.3669e-01 1.I11 H = 8.448(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.0486e-01 1.I11 N = 117.733(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.8387e-01 1.D12 C = 177.324(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.9750e-01 1.D12 CA = 56.221(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.5074e-01 1.D12 CB = 36.85(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.2859e-02 1.D12 H = 7.683(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.7968e-01 1.D12 N = 117.197(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.7102e-01 1.L13 C = 179.461(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.1204e-01 1.L13 CA = 58.151(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3473e-01 1.L13 CB = 42.47(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.3218e-01 1.L13 H = 7.757(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.6680e-01 1.L13 N = 122.525(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6461e-01 1.V14 C = 177.66(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.8296e-01 1.V14 CA = 67.011(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1393e-01 1.V14 CB = 28.947(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.4566e-02 1.V14 H = 7.943(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.0452e-01 1.V14 N = 121.718(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.9869e-01 1.K15 C = 178.234(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.2545e-01 1.K15 CA = 60.65(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.2604e-02 1.K15 CB = 32.429(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.3928e-01 1.K15 H = 8.55(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.4851e-01 1.K15 N = 120.229(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2761e-01 1.E16 C = 179.362(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.0127e-01 1.E16 CA = 58.435(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.9369e-01 1.E16 CB = 28.187(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.8920e-01 1.E16 H = 7.859(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.2469e-01 1.E16 N = 116.481(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.2869e-01 1.A17 C = 179.658(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.6787e-01 1.A17 CA = 55.056(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3321e-01 1.A17 CB = 19.289(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7883e-01 1.A17 H = 8.552(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.5743e-01 1.A17 N = 123.198(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.9279e-01 1.G18 C = 171.862(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.8548e-01 1.G18 CA = 44.692(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.2339e-01 1.G18 H = 8.109(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.3386e-01 1.G18 N = 102.502(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.3998e-02 1.K19 C = 176.572(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.7288e-01 1.K19 CA = 57.101(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.4528e-01 1.K19 CB = 28.853(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.6981e-02 1.K19 H = 7.316(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.4521e-01 1.K19 N = 116.421(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.1950e-01 1.Y20 CA = 57.953(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.4378e-01 1.Y20 CB = 39.414(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.6529e-01 1.Y20 H = 8.065(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.2685e-01 1.Y20 N = 116.61(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.5188e-01 1.S22 C = 174.336(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.6885e-01 1.S22 CA = 55.993(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.8771e-01 1.S22 CB = 67.112(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.5232e-02 1.S22 H = 7.416(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.4308e-01 1.S22 N = 109.995(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.4179e-02 1.K23 C = 178.293(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.0852e-01 1.K23 CA = 60.395(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1737e-01 1.K23 CB = 32.307(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.8612e-01 1.K23 H = 8.921(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.2310e-01 1.K23 N = 123.214(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.6596e-01 1.R24 C = 178.728(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.5351e-01 1.R24 CA = 59.514(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.3488e-01 1.R24 CB = 29.252(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.2879e-01 1.R24 H = 8.2(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.4772e-01 1.R24 N = 119.64(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.5260e-01 1.E25 C = 178.827(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.1558e-01 1.E25 CA = 58.521(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.6553e-01 1.E25 CB = 28.111(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.6956e-01 1.E25 H = 7.438(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.3057e-01 1.E25 N = 117.351(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.4022e-01 1.A26 C = 178.234(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.1660e-01 1.A26 CA = 55.028(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.4032e-01 1.A26 CB = 18.991(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.9172e-01 1.A26 H = 6.809(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.0431e-02 1.A26 N = 122.167(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.6396e-01 1.E27 C = 179.025(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.6910e-01 1.E27 CA = 59.23(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.6078e-01 1.E27 CB = 31.454(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.0117e-01 1.E27 H = 8.397(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0959e-01 1.E27 N = 116.763(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.6156e-01 1.E28 C = 177.126(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.9555e-01 1.E28 CA = 58.492(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.7496e-01 1.E28 CB = 27.579(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.5755e-01 1.E28 H = 8.096(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.9165e-01 1.E28 N = 119.671(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.7406e-01 1.A29 C = 179.48(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.1399e-01 1.A29 CA = 55.681(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.9938e-01 1.A29 CB = 17.761(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.9491e-01 1.A29 H = 7.187(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.1347e-02 1.A29 N = 122.202(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7151e-01 1.I30 C = 179.065(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.4036e-02 1.I30 CA = 66.273(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.1872e-02 1.I30 H = 7.505(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.5441e-01 1.I30 N = 116.221(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.2093e-01 1.S31 C = 174.83(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.0283e-01 1.S31 CA = 62.155(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.7031e-02 1.S31 CB = 66.033(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.3135e-01 1.S31 H = 8.17(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.5210e-01 1.S31 N = 116.473(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5627e-01 1.A32 C = 178.57(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.9678e-01 1.A32 CA = 55.142(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1196e-01 1.A32 CB = 18.89(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.4772e-01 1.A32 H = 8.655(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4825e-01 1.A32 N = 122.083(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.4593e-01 1.F33 C = 176.69(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.2335e-01 1.F33 CA = 63.064(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.2465e-02 1.F33 CB = 36.318(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.8929e-02 1.F33 H = 8.082(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.9941e-01 1.F33 N = 115.297(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.1766e-01 1.T34 C = 177.126(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.4175e-01 1.T34 CA = 64.711(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.3616e-01 1.T34 H = 7.677(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.6384e-01 1.T34 N = 106.968(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.5180e-02 1.L35 C = 180.331(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.1532e-02 1.L35 CA = 58.066(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5082e-01 1.L35 CB = 41.03(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.9597e-01 1.L35 H = 8.158(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.1180e-01 1.L35 N = 122.817(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.0616e-01 1.A36 C = 179.283(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.6881e-01 1.A36 CA = 56.164(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.2669e-01 1.A36 CB = 20.418(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.4166e-01 1.A36 H = 7.822(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2869e-01 1.A36 N = 123.345(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.7408e-01 1.V37 C = 177.62(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.9251e-01 1.V37 CA = 68.118(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.9087e-02 1.V37 CB = 28.853(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.0317e-02 1.V37 H = 7.83(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.9236e-01 1.V37 N = 117.204(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.8596e-01 1.E38 C = 177.957(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.7723e-01 1.E38 CA = 59.912(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.1490e-01 1.E38 CB = 28.035(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.5086e-01 1.E38 H = 8.022(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.0165e-01 1.E38 N = 116.166(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.9558e-01 1.T39 C = 176.552(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.5296e-01 1.T39 CA = 67.181(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.5436e-02 1.T39 CB = 68.573(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.7782e-01 1.T39 H = 8.427(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.6295e-01 1.T39 N = 116.505(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.1932e-01 1.A40 C = 179.54(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.9807e-01 1.A40 CA = 56.306(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.0982e-01 1.A40 CB = 18.492(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.7713e-01 1.A40 H = 8.394(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.4644e-01 1.A40 N = 124.865(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.4418e-01 1.L41 C = 181.321(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.8715e-02 1.L41 CA = 59.041(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.0825e-01 1.L41 CB = 39.13(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.0743e-02 1.L41 H = 8.282(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.3624e-01 1.L41 N = 115.779(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1894e-01 1.S42 C = 174.811(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.1158e-01 1.S42 CA = 62.155(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.7031e-02 1.S42 CB = 62.993(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.8557e-01 1.S42 H = 8.079(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3335e-01 1.S42 N = 116.583(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.3140e-01 1.K43 C = 176.779(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.4459e-01 1.K43 CA = 56.079(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.9217e-01 1.K43 CB = 32.639(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.3240e-01 1.K43 H = 7.186(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.4262e-02 1.K43 N = 119.671(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.1453e-01 1.G44 C = 174.299(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.1950e-01 1.G44 CA = 46.083(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.8437e-01 1.G44 H = 7.876(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.8489e-01 1.G44 N = 107.59(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.9094e-01 1.E45 C = 173.944(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.3348e-01 1.E45 CA = 54.801(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.2810e-01 1.E45 CB = 28.187(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.8920e-01 1.E45 H = 7.652(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.5049e-01 1.E45 N = 119.548(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.4714e-01 1.S46 C = 178.953(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.1763e-02 1.S46 CA = 57.47(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.4593e-01 1.S46 CB = 63.373(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.7295e-01 1.S46 H = 8.133(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.0324e-01 1.S46 N = 114.016(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.2011e-01 1.V47 C = 173.92(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.7093e-01 1.V47 CA = 61.701(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.8264e-01 1.V47 CB = 35.938(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.3104e-02 1.V47 H = 8.763(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.8021e-01 1.V47 N = 119.885(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8222e-01 1.E48 C = 174.019(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.4373e-01 1.E48 CA = 54.602(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.9344e-01 1.E48 CB = 26.439(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.7879e-02 1.E48 H = 8.838(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.8923e-01 1.E48 N = 128.234(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.9738e-02 1.L49 C = 175.602(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.8330e-01 1.L49 CA = 52.983(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.1571e-01 1.L49 CB = 42.322(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.9491e-01 1.L49 H = 8.672(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.9650e-01 1.L49 N = 131.338(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.5088e-02 1.I50 C = 177.284(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.5514e-01 1.I50 CA = 64.171(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.3928e-01 1.I50 CB = 39.738(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.8334e-01 1.I50 H = 8.551(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.9024e-01 1.I50 N = 125.944(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.9479e-01 1.G51 C = 173.05(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.6271e-01 1.G51 CA = 46.651(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.3160e-01 1.G51 H = 8.869(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.0697e-01 1.G51 N = 119.837(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6108e-03 1.F52 C = 175.088(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.6750e-01 1.F52 CA = 60.679(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.1188e-01 1.F52 CB = 41.182(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.6845e-01 1.F52 H = 8.213(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.3822e-01 1.F52 N = 123.509(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.6428e-01 1.G53 C = 169.587(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.2715e-02 1.G53 CA = 45.941(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.5918e-01 1.G53 H = 8.802(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.6774e-01 1.G53 N = 106.055(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.5025e-01 1.K54 C = 176.037(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.6303e-01 1.K54 CA = 53.438(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1041e-01 1.K54 CB = 36.546(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.4849e-02 1.K54 H = 7.437(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.0948e-01 1.K54 N = 118.32(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.6898e-01 1.F55 C = 174.276(D), Expected = 175.42, Std = 1.9900, ChiSquare = 5.6538e-01 1.F55 CA = 57.498(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.2084e-01 1.F55 CB = 41.182(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.6845e-01 1.F55 H = 9.145(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.7559e-01 1.F55 N = 123.999(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.9586e-01 1.E56 C = 173.168(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.7636e-02 1.E56 CA = 54.091(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.2235e-01 1.E56 CB = 30.77(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.5859e-01 1.E56 H = 9.256(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.1653e-01 1.E56 N = 119.411(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.1751e-01 1.T57 C = 174.316(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.9872e-01 1.T57 CA = 55.909(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.4823e-02 1.T57 CB = 66.793(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.1571e-02 1.T57 H = 8.168(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.0755e-01 1.T57 N = 109.927(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.4751e-01 1.A58 C = 177.601(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.4797e-01 1.A58 CA = 52.983(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.3680e-01 1.A58 H = 8.943(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.1559e-01 1.A58 N = 123.456(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4910e-01 1.E59 C = 175.919(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.2577e-01 1.E59 CA = 55.565(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.0107e-01 1.E59 CB = 29.175(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.2735e-01 1.E59 H = 8.427(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.6941e-01 1.E59 N = 120.544(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.7112e-01 1.Q60 C = 175.028(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.1090e-01 1.Q60 CA = 55.177(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.1509e-01 1.Q60 CB = 30.912(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.4407e-01 1.Q60 H = 9.001(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.8559e-01 1.Q60 N = 125.824(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.9284e-02 1.K61 C = 177.106(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.1576e-01 1.K61 CA = 56.788(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.4130e-01 1.K61 CB = 33.354(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.5135e-01 1.K61 H = 8.486(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.2178e-01 1.K61 N = 125.875(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.0060e-01 1.G62 C = 173.346(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.8046e-01 1.G62 CA = 45.146(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.7900e-01 1.G62 H = 8.204(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4630e-01 1.G62 N = 110.593(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.1149e-01 1.K63 C = 176.255(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.4735e-01 1.K63 CA = 56.192(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.3044e-01 1.K63 CB = 33.734(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.9588e-01 1.K63 H = 8.161(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.6145e-01 1.K63 N = 120.755(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.3763e-01 1.E64 C = 175.939(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.3305e-01 1.E64 CA = 55.709(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.4082e-01 1.E64 CB = 29.251(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.5901e-01 1.E64 H = 8.3(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.5945e-01 1.E64 N = 121.294(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.5769e-01 1.G65 C = 172.872(D), Expected = 173.87, Std = 1.8800, ChiSquare = 5.9552e-01 1.G65 CA = 45.061(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2924e-01 1.G65 H = 8.18(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1749e-01 1.G65 N = 110.395(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5140e-01 1.K66 C = 176.591(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.8045e-01 1.K66 CA = 56.164(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.2089e-01 1.K66 CB = 33.768(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.8270e-01 1.K66 H = 8.102(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8340e-01 1.K66 N = 120.216(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2492e-01 1.V67 CA = 60.224(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.2818e-01 1.V67 CB = 31.909(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.4648e-01 1.V67 H = 8.18(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.6959e-01 1.V67 N = 124.149(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.0747e-01 1.P68 C = 177.66(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.4674e-01 1.P68 CA = 64.086(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.1893e-01 1.G69 C = 176.44(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.7162e-01 1.G69 CA = 45.771(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.5338e-01 1.G69 H = 8.49(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.0556e-01 1.G69 N = 110.658(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9849e-01 1.S70 C = 174.139(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.7975e-01 1.S70 CA = 57.953(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.1099e-01 1.S70 CB = 64.986(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.2293e-01 1.S70 H = 7.907(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.2725e-01 1.S70 N = 114.539(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.2088e-01 1.D71 C = 175.226(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.0231e-01 1.D71 CA = 53.069(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.2457e-01 1.D71 CB = 37.99(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.4432e-02 1.D71 H = 8.382(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.0121e-01 1.D71 N = 119.873(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.4047e-01 1.K72 C = 176.156(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.0878e-01 1.K72 CA = 56.732(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.2107e-01 1.K72 CB = 33.171(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.3051e-01 1.K72 H = 8.063(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.3237e-01 1.K72 N = 120.482(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.8024e-01 1.T73 C = 174.138(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.1933e-01 1.T73 CA = 61.644(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.2401e-01 1.T73 CB = 70.765(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.2545e-01 1.T73 H = 7.884(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.6584e-01 1.T73 N = 113.768(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.2800e-01 1.Y74 C = 175.068(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.6750e-01 1.Y74 CA = 57.782(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.8973e-01 1.Y74 CB = 39.813(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.1946e-01 1.Y74 H = 8.114(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.7780e-01 1.Y74 N = 121.775(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.6509e-01 1.K75 C = 176.394(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.0211e-01 1.K75 CA = 56.306(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.6973e-01 1.K75 CB = 33.658(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.2580e-01 1.K75 H = 8.198(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8936e-01 1.K75 N = 122.199(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.6054e-01 1.T76 C = 174.158(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.2817e-01 1.T76 CA = 61.928(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.1024e-01 1.T76 CB = 70.366(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.9640e-01 1.T76 H = 8.113(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.3770e-01 1.T76 N = 115.605(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.6893e-01 1.E77 C = 175.365(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.4024e-01 1.E77 CA = 55.482(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.7917e-01 1.E77 CB = 29.456(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.4738e-01 1.E77 H = 8.215(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.4546e-01 1.E77 N = 121.463(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.1974e-01 1.D78 C = 174.474(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.7108e-01 1.D78 CA = 53.154(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.4926e-01 1.D78 CB = 38.598(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.5894e-01 1.D78 H = 8.397(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.8076e-01 1.D78 N = 120.677(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.9442e-01 1.K79 C = 176.453(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.2551e-01 1.K79 CA = 56.229(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.4312e-01 1.K79 CB = 32.639(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.3240e-01 1.K79 H = 8.358(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.7948e-01 1.K79 N = 121.212(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.6572e-01 1.R80 C = 175.543(D), Expected = 176.41, Std = 2.0300, ChiSquare = 6.6931e-01 1.R80 CA = 56.63(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.5167e-01 1.R80 CB = 33.354(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.4698e-01 1.R80 H = 8.127(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.5304e-01 1.R80 N = 121.454(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.5895e-01 1.V81 CA = 59.434(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.8528e-01 1.V81 H = 7.885(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.4553e-01 1.V81 N = 120.875(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.5345e-01 1.P82 C = 175.325(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.4532e-01 1.P82 CA = 61.36(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.9496e-01 1.K83 C = 173.55(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.2235e-01 1.K83 CA = 55.624(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.4669e-01 1.K83 CB = 37.089(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.5728e-02 1.K83 H = 8.917(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.2564e-01 1.K83 N = 119.647(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.0978e-01 1.F84 C = 173.742(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.9911e-01 1.F84 CA = 55.085(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.4387e-01 1.F84 CB = 42.93(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.5952e-01 1.F84 H = 8.645(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.9223e-01 1.F84 N = 122.269(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.6344e-01 1.K85 CA = 51.393(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1540e-02 1.K85 H = 8.404(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.2134e-01 1.K85 N = 128.983(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.5357e-02 1.P86 C = 175.167(D), Expected = 176.75, Std = 1.5100, ChiSquare = 2.9448e-01 1.P86 CA = 63.234(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.4964e-01 1.G87 C = 174.257(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.3691e-01 1.G87 CA = 43.698(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.1764e-01 1.G87 H = 8.082(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.0280e-01 1.G87 N = 111.881(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6778e-01 1.K88 C = 176.789(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.4061e-01 1.K88 CA = 60.769(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.2580e-02 1.K88 CB = 33.24(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0042e-01 1.K88 H = 8.376(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.5656e-01 1.K88 N = 118.25(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.5766e-01 1.T89 C = 176.077(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.8250e-01 1.T89 CA = 66.5(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.8431e-02 1.T89 CB = 68.108(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.1969e-01 1.T89 H = 8.168(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.0755e-01 1.T89 N = 115.123(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.5014e-01 1.L90 C = 173.9(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.1862e-01 1.L90 CA = 59.032(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.0918e-01 1.L90 CB = 41.473(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.5617e-01 1.L90 H = 7.338(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.6997e-01 1.L90 N = 121.686(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.6441e-01 1.K91 C = 178.887(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.6123e-01 1.K91 CA = 61.36(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.5012e-02 1.K91 CB = 32.44(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.4412e-01 1.K91 H = 8.131(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.2167e-01 1.K91 N = 114.153(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.7333e-02 1.Q92 C = 178.353(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.9478e-01 1.Q92 CA = 59.6(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.5681e-01 1.Q92 CB = 28.255(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.0744e-01 1.Q92 H = 7.889(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.7479e-01 1.Q92 N = 119.732(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.6499e-01 1.K93 C = 179.223(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.9653e-01 1.K93 CA = 58.918(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.7103e-01 1.K93 CB = 32.241(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.5776e-01 1.K93 H = 8.339(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0388e-01 1.K93 N = 117.262(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.1501e-01 1.V94 C = 177.324(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.6980e-01 1.V94 CA = 65.818(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.4457e-01 1.V94 CB = 32.062(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.0901e-01 1.V94 H = 7.511(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.4496e-01 1.V94 N = 115.111(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.8419e-01 1.E95 C = 180.232(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.4689e-02 1.E95 CA = 57.825(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.0907e-01 1.E95 CB = 29.783(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.9500e-01 1.E95 H = 8.013(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.9107e-01 1.E95 N = 119.772(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.9637e-01 1.E96 C = 176.631(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.0245e-01 1.E96 CA = 56.471(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.8458e-01 1.E96 CB = 28.571(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.0280e-01 1.E96 H = 8.036(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.1827e-01 1.E96 N = 117.278(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.2970e-01 1.G97 C = 173.564(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.7070e-01 1.G97 CA = 45.703(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9222e-01 1.G97 H = 7.628(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.8014e-01 1.G97 N = 107.91(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.4927e-01 1.K98 CA = 55.34(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.6428e-01 1.K98 H = 7.967(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.1014e-01 1.K98 N = 119.976(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.7574e-01