Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.11 H 0.1 Q 0.09 L 0.09 R 0.09 K 0.08 E 0.06 W 0.06 C 0.05 D 0.05 F 0.05 Y 0.04 S 0.02 N 0.02 A 0.01 C Shift Assignments>> C :: 176.36 CA :: 56.11 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) 1.E2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 H 0.14 R 0.13 C 0.13 Q 0.12 K 0.08 M 0.05 I 0.01 C Shift Assignments>> C :: 176.50(D) CA :: 57.31 CB :: 30.04 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 :: 8.81 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 :: 122.13 Ave N Shift Values>> N :: 120.67(3.48) 1.S3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.218(D) CA :: 58.531(D) CB :: 63.843(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.234(D) HA :: 4.31 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 :: 116.315(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 R 0.2 D 0.15 K 0.15 F 0.07 Y 0.04 C 0.04 G 0.01 N 0.01 C Shift Assignments>> C :: 176.970(D) CA :: 55.345(D) CB :: 42.633(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 :: 8.172(D) HA :: 4.428(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 :: 124.048(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 V 0.21 K 0.12 W 0.08 M 0.06 R 0.06 Q 0.05 H 0.04 E 0.03 P 0.02 C Shift Assignments>> C :: 174.317(D) CA :: 59.980(D) CB :: 32.741(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 :: 8.090(D) HA :: 4.430(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 :: 122.031(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> P 0.42 V 0.39 C 0.12 W 0.01 I 0.01 C Shift Assignments>> C :: 177.41(D) CA :: 63.551(D) CB :: 32.155(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) H Shift Assignments>> HA :: 4.36 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 139.476(D) Ave N Shift Values>> N :: 134.16(6.62) 1.G7 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 HN Overlap>> 1.G146 1.G146 C Shift Assignments>> C :: 173.610(D) CA :: 45.391(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.457(D) HA2 :: 4.005(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.080(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.25 C 0.12 D 0.11 L 0.11 I 0.05 K 0.03 N 0.02 HN Overlap>> 1.R99 1.R99 C Shift Assignments>> C :: 174.050 CA :: 57.254(D) CB :: 40.181(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 :: 7.845(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 :: 118.667(D) Ave N Shift Values>> N :: 120.45(4.18) 1.N9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.45 D 0.25 L 0.07 C 0.07 F 0.07 Y 0.06 HN Overlap>> 1.E41 1.E41 C Shift Assignments>> C :: 175.093(D) CA :: 52.950 CB :: 39.470 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 :: 8.634(D) HA :: 4.570 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 :: 121.448(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.14 E 0.14 C 0.13 Q 0.12 H 0.12 K 0.12 R 0.11 M 0.03 I 0.02 C Shift Assignments>> C :: 176.918(D) CA :: 57.706(D) CB :: 29.57 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 :: 8.635(D) HA :: 4.410 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 :: 123.355(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 K 0.18 M 0.14 Q 0.1 R 0.1 H 0.08 W 0.08 E 0.05 V 0.04 C Shift Assignments>> C :: 178.140 CA :: 57.670 CB :: 32.650 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 :: 8.449(D) HA :: 4.30 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 :: 118.160(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 174.646(D) CA :: 62.621(D) CB :: 69.954(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 :: 7.690 HA :: 4.250 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) 1.H13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 E 0.19 M 0.18 Q 0.14 K 0.12 Y 0.03 H 0.01 R 0.01 F 0.01 V 0.01 W 0.01 I 0.01 HN Overlap>> 1.Y136 1.Y136 C Shift Assignments>> C :: 173.598(D) CA :: 56.478(D) CB :: 35.110(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 :: 8.261(D) HA :: 4.374(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 :: 122.177(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 E 0.15 V 0.11 I 0.09 K 0.06 Y 0.06 M 0.05 Q 0.04 F 0.02 HN Overlap>> 1.E87 1.V121 1.E87 1.V121 C Shift Assignments>> C :: 173.779(D) CA :: 60.009(D) CB :: 35.299(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 :: 8.985(D) HA :: 4.602(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 :: 117.034(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.16 Q 0.14 R 0.14 W 0.12 E 0.12 C 0.11 K 0.09 M 0.07 HN Overlap>> 1.A90 1.A90 C Shift Assignments>> C :: 174.822(D) CA :: 55.395(D) CB :: 29.950(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 :: 8.626(D) HA :: 4.876(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 :: 126.048(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 L 0.13 C 0.04 HN Overlap>> 1.K72 1.I114 1.K72 1.I114 C Shift Assignments>> C :: 175.666(D) CA :: 53.913(D) CB :: 45.951(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 :: 8.977(D) HA :: 4.912(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 :: 125.589(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.272(D) CA :: 56.857(D) CB :: 63.366(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.635(D) HA :: 5.108(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 :: 117.119(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.5 L 0.21 R 0.1 D 0.1 C 0.03 F 0.01 C Shift Assignments>> CA :: 51.632(D) CB :: 43.902(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.188(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.800(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.38 P 0.3 C 0.19 W 0.04 K 0.01 R 0.01 H 0.01 I 0.01 C Shift Assignments>> C :: 174.388(D) CA :: 62.333(D) CB :: 32.222(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) H Shift Assignments>> HA :: 4.093(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.28 C 0.24 P 0.13 W 0.09 R 0.05 K 0.04 E 0.03 H 0.03 M 0.02 I 0.01 Q 0.01 HN Overlap>> 1.A76 1.A76 C Shift Assignments>> C :: 174.961(D) CA :: 61.171(D) CB :: 31.758(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 :: 8.441(D) HA :: 4.733(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 :: 124.724(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 D 0.2 G 0.17 R 0.17 C 0.04 K 0.02 N 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.742(D) CA :: 51.989(D) CB :: 43.263(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 :: 8.901(D) HA :: 4.721(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.211(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.16 H 0.15 K 0.14 W 0.12 R 0.11 E 0.11 C 0.11 M 0.04 L 0.01 HN Overlap>> 1.V106 1.V106 C Shift Assignments>> C :: 178.546(D) CA :: 55.479(D) CB :: 29.270(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 :: 9.133(D) HA :: 4.508(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 :: 121.053(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.52 P 0.31 C 0.1 I 0.04 HN Overlap>> 1.K72 1.I114 1.K72 1.I114 C Shift Assignments>> C :: 175.938(D) CA :: 65.909(D) CB :: 31.282(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 :: 9.075(D) HA :: 3.786(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 :: 125.682(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 E 0.14 C 0.14 H 0.12 R 0.12 Q 0.11 K 0.1 M 0.03 I 0.03 V 0.01 HN Overlap>> 1.T170 1.T170 C Shift Assignments>> C :: 176.754(D) CA :: 58.057(D) CB :: 29.821(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 :: 8.065(D) HA :: 4.231(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 :: 117.723(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.D25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 D 0.19 K 0.16 R 0.15 F 0.07 Y 0.04 C 0.04 N 0.02 C Shift Assignments>> C :: 176.357(D) CA :: 54.983(D) CB :: 42.384(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 :: 7.720(D) HA :: 4.606(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 :: 117.139(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.44 V 0.41 C 0.11 W 0.01 I 0.01 C Shift Assignments>> C :: 177.212(D) CA :: 64.155(D) CB :: 32.117(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 :: 6.909(D) HA :: 3.977(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 :: 118.221(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>> R 0.32 L 0.22 K 0.1 F 0.1 Y 0.06 C 0.06 D 0.05 G 0.03 C Shift Assignments>> C :: 177.838(D) CA :: 57.390(D) CB :: 43.118(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.394(D) HA :: 4.282(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 :: 131.739(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.39 V 0.35 C 0.15 W 0.03 I 0.01 C Shift Assignments>> C :: 174.887(D) CA :: 62.944(D) CB :: 31.814(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 :: 10.056(D) HA :: 4.076(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 :: 126.705(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 W 0.14 H 0.14 R 0.14 C 0.13 Q 0.12 K 0.08 M 0.05 I 0.01 V 0.01 C Shift Assignments>> C :: 175.271(D) CA :: 57.266(D) CB :: 30.158(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 :: 8.035(D) HA :: 3.885(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 :: 119.808(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.G30 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 :: 172.143(D) CA :: 45.470(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.277(D) HA2 :: 4.437(D) HA3 :: 4.076(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.001(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.22 K 0.13 I 0.13 C 0.12 L 0.05 D 0.02 R 0.01 C Shift Assignments>> C :: 175.516(D) CA :: 59.632(D) CB :: 41.242(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 :: 9.697(D) HA :: 4.607(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 :: 115.678(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G32 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 :: 172.556(D) CA :: 45.787(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.542(D) HA2 :: 3.882(D) HA3 :: 4.249(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.783(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.28 D 0.12 K 0.08 F 0.06 C 0.04 Y 0.04 G 0.03 C Shift Assignments>> C :: 175.714(D) CA :: 55.370(D) CB :: 43.093(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 :: 8.481(D) HA :: 4.969(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.747(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 174.456(D) CA :: 56.413(D) CB :: 66.201(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.559(D) HA :: 4.775(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.216(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.77 P 0.1 C 0.09 I 0.02 C Shift Assignments>> C :: 176.157(D) CA :: 67.452(D) CB :: 31.678(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 :: 9.145(D) HA :: 3.460 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 :: 124.089(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.16 I 0.14 E 0.1 K 0.09 H 0.07 R 0.07 Q 0.07 V 0.03 M 0.01 C Shift Assignments>> C :: 179.424(D) CA :: 60.054(D) CB :: 29.346(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 :: 8.728(D) HA :: 4.167(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 :: 117.040(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.15 R 0.12 E 0.11 H 0.09 K 0.08 V 0.07 M 0.06 Q 0.05 I 0.01 C Shift Assignments>> C :: 178.721(D) CA :: 59.185(D) CB :: 31.214(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 :: 7.576(D) HA :: 4.019(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 :: 119.096(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.44 P 0.25 I 0.14 C 0.14 W 0.01 C Shift Assignments>> C :: 177.913(D) CA :: 65.854(D) CB :: 30.463(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 :: 8.507(D) HA :: 4.220(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 :: 112.416(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 F 0.18 Y 0.13 L 0.13 R 0.11 C 0.08 D 0.04 I 0.03 C Shift Assignments>> C :: 178.665(D) CA :: 58.333(D) CB :: 42.067(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 :: 7.604(D) HA :: 3.949(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 :: 120.659(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 178.341(D) CA :: 61.765(D) CB :: 62.523(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.501(D) HA :: 4.070(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 :: 113.741(D) Ave N Shift Values>> N :: 116.28(3.52) 1.E41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.15 E 0.13 R 0.12 H 0.11 K 0.07 Q 0.07 M 0.06 V 0.05 I 0.01 HN Overlap>> 1.N9 1.N9 C Shift Assignments>> C :: 179.355(D) CA :: 58.860(D) CB :: 30.892(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 :: 8.676(D) HA :: 4.092(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 :: 121.399(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.55 A 0.31 I 0.06 C 0.04 V 0.01 HN Overlap>> 1.R171 1.R171 C Shift Assignments>> C :: 179.310(D) CA :: 55.901(D) CB :: 18.529(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.431(D) HA :: 4.201(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.555(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 W 0.17 V 0.1 I 0.09 E 0.09 R 0.08 H 0.06 Q 0.04 K 0.04 P 0.02 M 0.02 C Shift Assignments>> C :: 178.844(D) CA :: 60.599(D) CB :: 30.265(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 :: 7.731(D) HA :: 4.145(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.693(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.Q44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.14 K 0.13 I 0.12 Q 0.11 E 0.1 H 0.08 R 0.08 L 0.01 M 0.01 C Shift Assignments>> C :: 177.839(D) CA :: 58.941(D) CB :: 28.472(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 :: 7.676(D) HA :: 3.957(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 :: 119.736(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 W 0.17 E 0.11 I 0.11 R 0.08 K 0.08 H 0.08 Q 0.07 V 0.04 M 0.01 C Shift Assignments>> C :: 178.602(D) CA :: 60.002(D) CB :: 29.658(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 :: 8.399(D) HA :: 4.425(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 :: 117.355(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.24 F 0.19 Y 0.14 L 0.12 R 0.11 C 0.08 D 0.04 I 0.03 C Shift Assignments>> C :: 179.535(D) CA :: 58.471(D) CB :: 42.064(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 :: 8.762(D) HA :: 4.095(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 :: 121.627(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 V 0.14 K 0.12 W 0.11 R 0.09 M 0.08 H 0.07 E 0.06 Q 0.04 C Shift Assignments>> C :: 178.273(D) CA :: 59.462(D) CB :: 32.242(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 :: 7.658(D) HA :: 4.033(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 :: 120.131(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 D 0.22 K 0.19 F 0.1 Y 0.07 R 0.05 C 0.05 N 0.03 C Shift Assignments>> C :: 176.935(D) CA :: 55.209(D) CB :: 41.736(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 :: 8.007(D) HA :: 4.355(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 :: 117.026(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 C 0.06 L 0.04 HN Overlap>> 1.G98 1.G98 C Shift Assignments>> C :: 176.189(D) CA :: 47.041(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.934(D) HA2 :: 4.339(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.929(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.89 S 0.1 C Shift Assignments>> C :: 174.198(D) CA :: 60.402(D) CB :: 67.454(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 :: 8.905(D) HA :: 4.927(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 :: 110.617(D) Ave N Shift Values>> N :: 115.42(4.75) 1.C51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.14 W 0.14 E 0.13 H 0.13 K 0.09 M 0.08 Q 0.08 V 0.02 HN Overlap>> 1.E176 1.E176 C Shift Assignments>> C :: 172.965(D) CA :: 57.681(D) CB :: 30.988(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.430(D) HA :: 5.419(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 :: 121.242(D) Ave N Shift Values>> N :: 120.17(4.64) 1.G52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 L 0.3 G 0.17 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 169.993(D) CA :: 43.807(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.785(D) HA2 :: 3.235(D) HA3 :: 3.243(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.995(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 L 0.1 C 0.08 C Shift Assignments>> C :: 174.189(D) CA :: 53.529(D) CB :: 47.215(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 :: 8.815(D) HA :: 5.178(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 :: 120.177(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 V 0.23 K 0.11 Q 0.09 M 0.07 W 0.04 R 0.03 H 0.02 E 0.02 I 0.01 P 0.01 Y 0.01 C Shift Assignments>> C :: 176.403(D) CA :: 60.142(D) CB :: 33.768(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 :: 9.464(D) HA :: 5.168(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 :: 125.198(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.15 E 0.14 C 0.13 H 0.12 R 0.12 Q 0.12 K 0.1 M 0.04 I 0.02 V 0.01 HN Overlap>> 1.L107 1.L104 1.L107 1.L104 C Shift Assignments>> C :: 176.869(D) CA :: 57.795(D) CB :: 29.825(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 :: 9.008(D) HA :: 4.823(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 :: 126.715(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.27 P 0.19 V 0.19 T 0.15 I 0.11 C 0.02 HN Overlap>> 1.L88 1.L88 C Shift Assignments>> C :: 174.834(D) CA :: 64.281(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 :: 8.564(D) HA :: 3.795(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 :: 121.692(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.25 Q 0.18 C 0.16 K 0.16 H 0.07 R 0.07 W 0.04 E 0.02 C Shift Assignments>> C :: 175.938 CA :: 54.447 CB :: 33.238 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 :: 7.005 HA :: 4.592(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 :: 124.312 Ave N Shift Values>> N :: 120.67(3.48) 1.K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.21 A 0.18 D 0.14 L 0.08 M 0.06 H 0.05 R 0.04 Q 0.04 C 0.03 K 0.03 W 0.02 F 0.02 E 0.01 Y 0.01 HN Overlap>> 1.D75 1.D75 1.L177 1.L149 1.L177 1.L149 C Shift Assignments>> C :: 177.945 CA :: 53.706 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 :: 8.279(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 :: 122.388(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 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 HN Overlap>> 1.V108 1.V108 C Shift Assignments>> C :: 175.538(D) CA :: 45.624(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.388(D) HA2 :: 3.990(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.631(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.77 C 0.1 P 0.1 I 0.01 HN Overlap>> 1.L64 1.L64 C Shift Assignments>> C :: 176.322 CA :: 66.440(D) CB :: 33.518 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 :: 7.942(D) HA :: 3.894(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 :: 121.756(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L61 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate C Shift Assignments>> C :: 174.565 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 :: 8.684(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 :: 119.602(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.25 V 0.23 T 0.17 P 0.16 I 0.12 C 0.02 C Shift Assignments>> C :: 177.054(D) CA :: 65.088 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.730 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.15 R 0.14 E 0.13 W 0.13 Q 0.13 C 0.12 K 0.07 M 0.07 C Shift Assignments>> C :: 175.448(D) CA :: 56.300(D) CB :: 30.192(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 :: 7.712(D) HA :: 4.592(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.589(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.22 G 0.16 D 0.13 C 0.04 F 0.03 K 0.01 Y 0.01 HN Overlap>> 1.V60 1.V60 C Shift Assignments>> C :: 174.984(D) CA :: 53.636(D) CB :: 43.747(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 :: 7.980(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 :: 121.795(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 M 0.14 C 0.13 W 0.11 K 0.1 E 0.1 Q 0.08 C Shift Assignments>> C :: 174.994(D) CA :: 55.771(D) CB :: 31.285(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 :: 7.344(D) HA :: 4.449(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.101(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.15 K 0.14 C 0.13 W 0.1 R 0.09 L 0.07 E 0.07 M 0.03 HN Overlap>> 1.K141 1.K141 C Shift Assignments>> C :: 174.231 CA :: 53.704(D) CB :: 28.604(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 :: 8.221(D) HA :: 4.606(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 :: 121.379(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.37 V 0.25 I 0.16 E 0.05 Y 0.04 K 0.02 M 0.01 F 0.01 Q 0.01 C Shift Assignments>> C :: 173.633(D) CA :: 61.657(D) CB :: 35.196(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) H Shift Assignments>> HA :: 4.437(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 139.674 Ave N Shift Values>> N :: 134.16(6.62) 1.Y68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.21 K 0.2 D 0.18 F 0.14 Y 0.11 C 0.06 R 0.03 N 0.02 I 0.01 HN Overlap>> 1.H83 1.H83 C Shift Assignments>> C :: 175.599 CA :: 56.131(D) CB :: 41.455(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) HA :: 4.652(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 :: 119.598(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.41 P 0.22 C 0.22 W 0.04 K 0.02 R 0.01 M 0.01 H 0.01 Q 0.01 C Shift Assignments>> C :: 174.455(D) CA :: 62.050(D) CB :: 32.703(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 :: 9.080(D) HA :: 4.580(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 :: 120.594(D) Ave N Shift Values>> N :: 121.14(4.54) 1.F70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.21 D 0.14 F 0.13 Y 0.1 R 0.07 C 0.06 N 0.01 I 0.01 C Shift Assignments>> C :: 176.251(D) CA :: 56.480(D) CB :: 41.796(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 :: 9.307(D) HA :: 4.340(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 :: 123.314(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.3 Y 0.29 I 0.16 C 0.14 L 0.04 D 0.02 HN Overlap>> 1.T151 1.T151 C Shift Assignments>> C :: 174.951(D) CA :: 58.928(D) CB :: 39.856 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 :: 8.087(D) HA :: 5.159(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 :: 113.093(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 C 0.23 E 0.18 M 0.13 Y 0.06 F 0.04 K 0.03 Q 0.02 D 0.01 HN Overlap>> 1.V23 1.L16 1.V23 1.L16 1.I114 1.I114 C Shift Assignments>> C :: 175.143(D) CA :: 53.998(D) CB :: 36.327(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.008(D) HA :: 5.173(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 :: 125.618(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.14 W 0.12 H 0.12 M 0.11 K 0.11 E 0.11 Q 0.06 V 0.02 C Shift Assignments>> C :: 176.552(D) CA :: 57.540(D) CB :: 31.415(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 :: 8.983(D) HA :: 4.340(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.208(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.S74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.940 CA :: 58.721(D) CB :: 64.449(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.790(D) HA :: 4.540(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 :: 120.886(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.26 K 0.15 F 0.07 N 0.05 Y 0.05 R 0.05 C 0.04 HN Overlap>> 1.K58 1.L177 1.L149 1.K58 1.L177 1.L149 C Shift Assignments>> C :: 175.72(D) CA :: 54.310 CB :: 41.752(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 :: 8.266(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.327(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.76 M 0.21 C 0.01 HN Overlap>> 1.V20 1.V20 C Shift Assignments>> C :: 177.368(D) CA :: 52.920 CB :: 18.310(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.437(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.776(D) Ave N Shift Values>> N :: 123.23(3.54) 1.R77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.1 Q 0.1 H 0.09 K 0.09 M 0.08 E 0.08 W 0.07 C 0.06 L 0.06 F 0.06 Y 0.06 S 0.03 D 0.03 HN Overlap>> 1.N160 1.N178 1.D139 1.N160 1.N178 1.D139 C Shift Assignments>> C :: 176.62(D) CA :: 56.700 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 :: 8.349(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 :: 118.699(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.T78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.660(D) CA :: 61.878(D) CB :: 70.226(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 :: 8.043(D) HA :: 4.372(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.049(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.79 M 0.18 C 0.01 C Shift Assignments>> C :: 176.922(D) CA :: 52.641(D) CB :: 18.340 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.274(D) HA :: 4.374(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.760(D) Ave N Shift Values>> N :: 123.23(3.54) 1.P80 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.03 C Shift Assignments>> C :: 173.874(D) CA :: 45.645(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.270 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.830 Ave N Shift Values>> N :: 109.67(3.87) 1.H83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.17 K 0.14 C 0.14 R 0.14 H 0.13 W 0.09 E 0.08 Q 0.06 V 0.01 HN Overlap>> 1.Y68 1.Y68 C Shift Assignments>> C :: 174.365(D) CA :: 56.172(D) CB :: 31.845 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.154(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.595(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.43 C 0.26 P 0.14 K 0.03 W 0.03 Q 0.01 M 0.01 R 0.01 I 0.01 H 0.01 HN Overlap>> 1.F143 1.F143 C Shift Assignments>> C :: 175.011(D) CA :: 61.857(D) CB :: 33.246(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 :: 8.090(D) HA :: 4.219(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 :: 121.529(D) Ave N Shift Values>> N :: 121.14(4.54) 1.M85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.21 Q 0.2 K 0.18 C 0.17 R 0.06 H 0.06 W 0.03 E 0.02 V 0.01 C Shift Assignments>> C :: 176.629(D) CA :: 55.966(D) CB :: 33.501(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 :: 8.783(D) HA :: 5.200(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 :: 127.869(D) Ave N Shift Values>> N :: 120.09(3.57) 1.V86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 E 0.2 Y 0.19 I 0.14 F 0.12 M 0.03 K 0.01 C Shift Assignments>> C :: 174.269(D) CA :: 58.779(D) CB :: 37.001(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 :: 8.849(D) HA :: 5.630(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 :: 117.261(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 Q 0.22 C 0.19 K 0.15 H 0.04 R 0.04 W 0.02 HN Overlap>> 1.V14 1.V14 C Shift Assignments>> C :: 174.272(D) CA :: 54.148(D) CB :: 34.023(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 :: 8.983(D) HA :: 4.670(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 :: 117.022(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.23 G 0.21 D 0.07 C 0.05 F 0.03 Y 0.02 HN Overlap>> 1.V56 1.V56 C Shift Assignments>> C :: 177.137(D) CA :: 54.869(D) CB :: 44.126(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 :: 8.556(D) HA :: 5.139(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 :: 121.708(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 I 0.27 E 0.12 Y 0.11 F 0.06 V 0.05 M 0.01 K 0.01 C Shift Assignments>> C :: 173.357(D) CA :: 60.855(D) CB :: 36.395(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 :: 8.761(D) HA :: 4.570(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 :: 119.965(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.42 A 0.36 C 0.16 K 0.02 HN Overlap>> 1.Q15 1.Q15 C Shift Assignments>> C :: 176.648(D) CA :: 50.628(D) CB :: 22.936(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.697(D) HA :: 5.872(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.998(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 C 0.23 Q 0.21 K 0.15 H 0.03 R 0.02 Y 0.02 W 0.01 N 0.01 V 0.01 C Shift Assignments>> C :: 175.049(D) CA :: 55.655(D) CB :: 34.763(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 :: 8.873(D) HA :: 4.958(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.510(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.35 L 0.23 F 0.09 K 0.07 C 0.06 Y 0.06 G 0.05 D 0.04 C Shift Assignments>> CA :: 57.337(D) CB :: 43.349(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 :: 8.855(D) HA :: 4.316(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 :: 123.859(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> E 0.1 W 0.09 K 0.09 R 0.08 F 0.08 C 0.08 Y 0.08 H 0.07 Q 0.07 M 0.06 S 0.05 L 0.04 D 0.01 I 0.01 C Shift Assignments>> C :: 177.457(D) CA :: 57.382(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>> HA :: 4.509(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) 1.G94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 174.074(D) CA :: 46.379(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.219(D) HA2 :: 4.057(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.379(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.55 C 0.16 Y 0.14 F 0.12 C Shift Assignments>> C :: 176.308 CA :: 62.256(D) CB :: 38.679(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 :: 7.589(D) HA :: 3.984(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 :: 119.401(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> M 0.1 H 0.1 Q 0.1 R 0.09 K 0.08 L 0.08 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> C :: 177.143(D) CA :: 56.293(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) 1.Y97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.12 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 H 0.04 I 0.04 Q 0.04 M 0.03 V 0.02 T 0.02 L 0.01 C Shift Assignments>> C :: 174.917(D) CA :: 58.849(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 :: 8.881(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 :: 120.286(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G98 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 HN Overlap>> 1.G49 1.G49 C Shift Assignments>> C :: 173.70 CA :: 46.152(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.934(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.994(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.11 M 0.11 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.02 A 0.02 S 0.01 HN Overlap>> 1.F8 1.F8 C Shift Assignments>> C :: 176.18 CA :: 55.795(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 :: 7.826(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 :: 118.720(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.S100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Consistent N Shift Assignments>> N :: 115.52 Ave N Shift Values>> N :: 116.28(3.52) 1.G101 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 :: 174.208(D) CA :: 45.871(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.684(D) HA2 :: 4.371(D) HA3 :: 4.157(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.902(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 W 0.14 E 0.13 C 0.13 Q 0.1 M 0.08 K 0.07 V 0.01 C Shift Assignments>> C :: 176.164 CA :: 57.055 CB :: 30.714(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 :: 8.367(D) HA :: 4.735(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 :: 119.022(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.S166 1.S166 C Shift Assignments>> C :: 174.247(D) CA :: 63.244(D) CB :: 74.890(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 :: 8.295(D) HA :: 4.368(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 :: 117.708(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.32 L 0.26 K 0.08 F 0.08 D 0.07 C 0.05 Y 0.05 G 0.03 HN Overlap>> 1.L107 1.L107 1.E55 1.E55 C Shift Assignments>> C :: 177.245(D) CA :: 56.500(D) CB :: 43.204(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.036(D) HA :: 5.173(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.730(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G105 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 :: 170.124(D) CA :: 45.651(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.486(D) HA2 :: 4.194(D) HA3 :: 4.348(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.851(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 V 0.16 E 0.1 I 0.07 K 0.07 Q 0.06 M 0.05 Y 0.04 F 0.01 W 0.01 R 0.01 HN Overlap>> 1.Q22 1.Q22 C Shift Assignments>> C :: 174.727(D) CA :: 60.270(D) CB :: 34.906(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 :: 9.190(D) HA :: 4.566(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 :: 121.126(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.23 G 0.16 D 0.12 C 0.04 F 0.03 Y 0.01 K 0.01 HN Overlap>> 1.L104 1.E55 1.L104 1.E55 C Shift Assignments>> C :: 174.973(D) CA :: 53.701(D) CB :: 43.763(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.007(D) HA :: 5.360(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.703(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 K 0.18 Q 0.17 M 0.14 V 0.07 R 0.05 H 0.04 W 0.04 E 0.02 HN Overlap>> 1.G59 1.G59 C Shift Assignments>> C :: 172.499 CA :: 58.314(D) CB :: 33.598(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 :: 8.403(D) HA :: 4.469(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 :: 113.588(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.44 V 0.37 C 0.12 W 0.01 I 0.01 C Shift Assignments>> C :: 173.340(D) CA :: 63.643(D) CB :: 31.906(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) H Shift Assignments>> HA :: 4.769(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.H110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.24 A 0.21 D 0.13 L 0.07 M 0.05 H 0.04 R 0.03 Q 0.03 C 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 C Shift Assignments>> C :: 175.828(D) CA :: 53.499(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 :: 8.086(D) HA :: 5.158(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.935(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 V 0.23 W 0.11 K 0.07 R 0.06 P 0.06 E 0.05 H 0.05 M 0.04 Q 0.01 I 0.01 C Shift Assignments>> C :: 175.520(D) CA :: 60.576(D) CB :: 31.925 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 :: 10.348(D) HA :: 4.412(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 :: 130.009(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.798(D) CA :: 45.323(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.619(D) HA2 :: 3.945(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.299(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.17 W 0.17 E 0.14 R 0.11 H 0.1 Q 0.09 K 0.07 I 0.05 M 0.03 V 0.03 C Shift Assignments>> C :: 177.208(D) CA :: 59.059(D) CB :: 29.991(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 :: 10.669(S) 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 :: 124.740(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.25 Y 0.21 I 0.16 E 0.16 F 0.14 M 0.02 HN Overlap>> 1.V23 1.L16 1.K72 1.V23 1.L16 1.K72 C Shift Assignments>> CA :: 58.808(D) CB :: 37.311(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 :: 9.017(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 :: 125.658(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.46 P 0.22 C 0.21 W 0.02 K 0.02 I 0.01 C Shift Assignments>> C :: 177.397(D) CA :: 62.449(D) CB :: 33.115(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) H Shift Assignments>> HA :: 4.643(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.V116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.39 C 0.25 P 0.14 W 0.04 K 0.04 R 0.02 M 0.02 Q 0.02 H 0.01 E 0.01 C Shift Assignments>> C :: 175.684(D) CA :: 61.562(D) CB :: 32.906(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 :: 8.864(D) HA :: 4.370(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 :: 114.430(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 L 0.06 C 0.04 M 0.01 C Shift Assignments>> C :: 174.043(D) CA :: 51.325(D) CB :: 21.049(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.755(D) HA :: 4.458(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.587(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.23 L 0.16 R 0.16 F 0.15 Y 0.11 C 0.07 D 0.05 I 0.02 C Shift Assignments>> C :: 175.795(D) CA :: 57.903(D) CB :: 42.316(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 :: 8.440(D) HA :: 5.307(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 :: 115.994(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.17 H 0.13 K 0.13 R 0.13 W 0.07 Q 0.06 E 0.04 C Shift Assignments>> C :: 174.763(D) CA :: 53.459(D) CB :: 32.155(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 :: 9.402(D) HA :: 4.783(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.273(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.K120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 E 0.22 M 0.17 Q 0.11 K 0.1 Y 0.04 F 0.02 H 0.01 N 0.01 R 0.01 I 0.01 V 0.01 C Shift Assignments>> C :: 176.812(D) CA :: 56.327(D) CB :: 35.332(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 :: 8.600(D) HA :: 5.140(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.561(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 E 0.26 Y 0.11 I 0.1 F 0.06 M 0.05 K 0.03 V 0.02 Q 0.01 HN Overlap>> 1.V14 1.V14 C Shift Assignments>> C :: 173.515(D) CA :: 58.918(D) CB :: 36.194(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 :: 8.986(D) HA :: 5.262(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 :: 117.139(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.67 L 0.19 R 0.04 C 0.03 D 0.03 F 0.01 C Shift Assignments>> C :: 174.888(D) CA :: 53.355(D) CB :: 44.901(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 :: 8.776(D) HA :: 5.187(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 :: 123.330(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 L 0.13 C 0.03 C Shift Assignments>> C :: 176.094(D) CA :: 53.805(D) CB :: 45.834(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 :: 8.928(D) HA :: 4.842(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 :: 125.100(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 W 0.14 E 0.14 C 0.13 Q 0.1 M 0.08 K 0.07 V 0.01 C Shift Assignments>> C :: 176.468(D) CA :: 57.048(D) CB :: 30.688(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 :: 8.766(D) HA :: 4.164(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.283(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.K125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.22 Q 0.18 K 0.18 M 0.16 R 0.05 V 0.05 H 0.05 W 0.04 E 0.02 C Shift Assignments>> C :: 175.241(D) CA :: 57.854(D) CB :: 33.633(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 :: 8.442(D) HA :: 4.666(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.120 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.23 K 0.15 F 0.1 Y 0.07 N 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 178.906 CA :: 54.908(D) CB :: 41.379(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 :: 7.904(D) HA :: 4.506(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 :: 124.315(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G127 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 176.580 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.N128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.22 K 0.14 D 0.14 F 0.07 Y 0.05 C 0.04 G 0.01 N 0.01 C Shift Assignments>> C :: 176.019 CA :: 55.509 CB :: 42.700 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 :: 8.440 HA :: 4.316 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 :: 118.900 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.12 Q 0.12 V 0.11 M 0.1 E 0.09 I 0.02 Y 0.02 W 0.02 R 0.02 H 0.02 F 0.01 C Shift Assignments>> C :: 177.070(D) CA :: 59.266 CB :: 34.515 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 :: 7.833 HA :: 4.302 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 :: 119.692 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.96(D) CA :: 45.330 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.390 HA2 :: 3.930 HA3 :: 3.960 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.67(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 M 0.12 C 0.01 C Shift Assignments>> C :: 178.25(D) CA :: 52.890 CB :: 19.120 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.272(D) HA :: 4.310 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.630(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.66 CA :: 45.390 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.430 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.17(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.620 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.210 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.445(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.24 L 0.21 C 0.14 Q 0.11 W 0.07 H 0.06 E 0.04 K 0.04 I 0.04 HN Overlap>> 1.N162 1.N162 C Shift Assignments>> C :: 174.70 CA :: 56.740 CB :: 26.94 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.223(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 :: 118.964(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.020 CA :: 58.180 CB :: 63.86 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.265 HA :: 4.420 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 :: 117.56 Ave N Shift Values>> N :: 116.28(3.52) 1.Y136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.27 C 0.17 I 0.14 D 0.03 L 0.02 E 0.01 N 0.01 HN Overlap>> 1.H13 1.H13 C Shift Assignments>> C :: 176.300(D) CA :: 58.330 CB :: 38.930 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 :: 8.311(D) HA :: 4.530 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.208(D) Ave N Shift Values>> N :: 120.52(4.2) 1.G137 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 :: 174.015(D) CA :: 45.684(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.343(D) HA2 :: 3.861(D) HA3 :: 3.860 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.491(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.08 C 0.02 L 0.01 C Shift Assignments>> C :: 177.373(D) CA :: 52.863(D) CB :: 19.637(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.098(D) HA :: 4.329(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.653(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.22 K 0.11 N 0.09 F 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.N160 1.N178 1.N160 1.N178 1.R77 1.R77 C Shift Assignments>> C :: 176.202(D) CA :: 54.406(D) CB :: 41.165(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 :: 8.361(D) HA :: 4.610(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 :: 118.670(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 K 0.18 R 0.16 D 0.15 F 0.08 Y 0.05 C 0.05 N 0.01 C Shift Assignments>> C :: 177.365(D) CA :: 55.598(D) CB :: 42.420(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 :: 8.047(D) HA :: 4.355(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 :: 122.219(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.19 C 0.16 Q 0.15 R 0.09 H 0.08 W 0.06 E 0.04 V 0.02 HN Overlap>> 1.Q66 1.Q66 C Shift Assignments>> C :: 176.497(D) CA :: 56.521(D) CB :: 32.959(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 :: 8.244(D) HA :: 4.340(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 :: 121.376(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.170(D) CA :: 58.349(D) CB :: 63.813(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.122(D) HA :: 4.426(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 :: 116.097(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.28 C 0.14 I 0.09 D 0.07 L 0.07 N 0.01 K 0.01 HN Overlap>> 1.V84 1.V84 C Shift Assignments>> C :: 175.128(D) CA :: 57.817(D) CB :: 39.810(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 :: 8.141(D) HA :: 4.667(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 :: 121.569(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.25 K 0.15 F 0.08 N 0.06 Y 0.05 C 0.05 R 0.04 C Shift Assignments>> C :: 176.003(D) CA :: 54.399(D) CB :: 41.675(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 :: 8.292(D) HA :: 4.664(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 :: 121.747(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 R 0.18 K 0.17 D 0.14 F 0.08 Y 0.05 C 0.04 N 0.01 HN Overlap>> 1.K164 1.K164 C Shift Assignments>> C :: 177.945(D) CA :: 55.616(D) CB :: 42.530(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 :: 8.198(D) HA :: 4.359(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 :: 122.673(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G146 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 HN Overlap>> 1.G7 1.G7 C Shift Assignments>> C :: 174.118(D) CA :: 45.700(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.432(D) HA2 :: 4.003(D) HA3 :: 4.020(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.059(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.27 L 0.25 K 0.15 F 0.09 Y 0.06 N 0.06 C 0.05 R 0.03 C Shift Assignments>> C :: 176.517(D) CA :: 54.584(D) CB :: 41.575(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 :: 8.214(D) HA :: 4.670(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 :: 120.457(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.42 C 0.38 M 0.07 I 0.04 K 0.04 Q 0.02 C Shift Assignments>> C :: 176.630(D) CA :: 57.065(D) CB :: 30.234(D) CG :: 36.754(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 :: 8.469(D) HA :: 4.308(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 :: 120.824(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 R 0.2 K 0.15 D 0.14 F 0.07 Y 0.05 C 0.04 G 0.01 N 0.01 HN Overlap>> 1.D75 1.K58 1.L177 1.D75 1.K58 1.L177 C Shift Assignments>> C :: 177.961(D) CA :: 55.571(D) CB :: 42.633(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 :: 8.262(D) HA :: 4.385(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 :: 122.386(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G150 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 :: 174.201(D) CA :: 45.602(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.366(D) HA2 :: 4.026(D) HA3 :: 4.036(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.211(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.I71 1.I71 C Shift Assignments>> C :: 174.088(D) CA :: 61.706(D) CB :: 70.233(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 :: 7.984(D) HA :: 4.378(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 :: 113.096(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 L 0.23 N 0.14 K 0.08 F 0.05 C 0.05 Y 0.03 R 0.02 C Shift Assignments>> C :: 174.862 CA :: 52.560(D) CB :: 41.581(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 :: 8.470(D) HA :: 4.924(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 :: 124.405(D) Ave N Shift Values>> N :: 120.65(3.86) 1.P153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> P 0.43 V 0.39 C 0.12 W 0.01 I 0.01 C Shift Assignments>> C :: 176.808(D) CA :: 63.702(D) CB :: 32.062(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) H Shift Assignments>> HA :: 4.402(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 136.647 Ave N Shift Values>> N :: 134.16(6.62) 1.Y154 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 M 0.01 C Shift Assignments>> C :: 176.021(D) CA :: 58.173(D) CB :: 38.516(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 :: 8.238(D) HA :: 4.554(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 :: 119.310(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 W 0.13 E 0.13 C 0.13 Q 0.1 M 0.08 K 0.08 V 0.01 C Shift Assignments>> C :: 175.874(D) CA :: 56.974(D) CB :: 30.794(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 :: 7.970(D) HA :: 4.217(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 :: 121.910(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.29 L 0.24 K 0.14 F 0.09 N 0.07 Y 0.06 C 0.05 R 0.02 HN Overlap>> 1.E159 1.E159 C Shift Assignments>> C :: 176.084(D) CA :: 54.517(D) CB :: 41.441(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 :: 8.229(D) HA :: 4.596(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 :: 121.056(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.29 C 0.15 I 0.13 L 0.04 D 0.04 N 0.01 C Shift Assignments>> C :: 175.873(D) CA :: 58.355(D) CB :: 39.412(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 :: 8.122(D) HA :: 4.564(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 :: 120.674(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.15 H 0.14 E 0.13 W 0.13 R 0.12 K 0.12 C 0.11 M 0.04 I 0.01 HN Overlap>> 1.W161 1.W161 C Shift Assignments>> C :: 175.957(D) CA :: 56.232(D) CB :: 29.590(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 :: 8.116(D) HA :: 4.197(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 :: 121.261(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 H 0.14 W 0.14 R 0.13 Q 0.13 C 0.12 K 0.08 M 0.05 I 0.01 HN Overlap>> 1.D156 1.D156 C Shift Assignments>> C :: 176.500(D) CA :: 56.951(D) CB :: 30.048(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 :: 8.291(D) HA :: 4.164(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 :: 121.044(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.24 K 0.13 F 0.08 N 0.07 Y 0.06 C 0.05 R 0.02 HN Overlap>> 1.N178 1.D139 1.R77 1.N178 1.D139 1.R77 C Shift Assignments>> C :: 175.448(D) CA :: 54.292(D) CB :: 41.475(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 :: 8.357(D) HA :: 4.348(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 :: 118.710(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.W161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.14 E 0.14 K 0.13 C 0.13 Q 0.13 H 0.12 R 0.1 I 0.03 M 0.03 HN Overlap>> 1.Q158 1.Q158 C Shift Assignments>> C :: 176.741(D) CA :: 57.805(D) CB :: 29.304(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 :: 8.140(D) HA :: 4.181(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 :: 121.292(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> D 0.31 L 0.25 K 0.13 N 0.08 F 0.07 Y 0.04 C 0.04 R 0.03 HN Overlap>> 1.H134 1.H134 C Shift Assignments>> C :: 175.710 CA :: 53.787(D) CB :: 41.625(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 :: 8.220 HA :: 4.682(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 :: 118.970 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.850(D) CA :: 62.800(D) CB :: 70.329(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 :: 7.944(D) HA :: 4.380(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 :: 113.652(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.18 C 0.17 M 0.17 Q 0.12 R 0.09 H 0.08 W 0.07 E 0.05 V 0.02 HN Overlap>> 1.L145 1.L173 1.L145 1.L173 C Shift Assignments>> C :: 174.391(D) CA :: 56.991(D) CB :: 32.751(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 :: 8.107(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 :: 122.664(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H165 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 174.68 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) 1.S166 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.T103 1.T103 H Shift Assignments>> H :: 8.212 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 :: 117.669 Ave N Shift Values>> N :: 116.28(3.52) 1.S167 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 175.05 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) 1.G168 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 :: 174.176(D) CA :: 45.657(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.400 HA2 :: 4.063(D) HA3 :: 3.951(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.61(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.44 P 0.29 C 0.18 W 0.02 K 0.01 C Shift Assignments>> C :: 176.426(D) CA :: 62.704(D) CB :: 32.773(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 :: 7.959(D) HA :: 4.226(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 :: 119.254(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.R24 1.R24 C Shift Assignments>> C :: 174.640 CA :: 62.270(D) CB :: 69.860(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 :: 8.102(D) HA :: 4.378(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 :: 117.796(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 C 0.13 W 0.12 M 0.12 E 0.11 K 0.09 Q 0.09 V 0.01 HN Overlap>> 1.A42 1.A42 C Shift Assignments>> C :: 176.112(D) CA :: 56.468(D) CB :: 31.113(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 :: 8.365(D) HA :: 4.308(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.557(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.E172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.15 W 0.14 R 0.14 H 0.14 C 0.13 Q 0.11 K 0.07 M 0.06 I 0.01 V 0.01 C Shift Assignments>> C :: 176.752(D) CA :: 57.360(D) CB :: 30.252(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 :: 8.451(D) HA :: 4.339(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 :: 121.794(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 K 0.18 R 0.17 D 0.14 F 0.09 Y 0.06 C 0.05 N 0.01 HN Overlap>> 1.K164 1.K164 C Shift Assignments>> C :: 177.584(D) CA :: 55.828(D) CB :: 42.456(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 :: 8.143(D) HA :: 4.364(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 :: 122.561(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 K 0.18 C 0.15 Q 0.12 R 0.1 H 0.09 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 176.487(D) CA :: 56.072(D) CB :: 32.689(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 :: 8.255(D) HA :: 4.492(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 :: 120.277(D) Ave N Shift Values>> N :: 120.09(3.57) 1.R175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 C 0.13 W 0.12 E 0.12 M 0.1 Q 0.09 K 0.09 V 0.01 C Shift Assignments>> C :: 176.619(D) CA :: 56.738(D) CB :: 30.985(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 :: 8.184(D) HA :: 4.381(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 :: 121.790(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.E176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.14 R 0.14 E 0.14 W 0.14 C 0.13 Q 0.12 M 0.06 K 0.06 I 0.01 HN Overlap>> 1.C51 1.C51 C Shift Assignments>> C :: 176.849(D) CA :: 57.020 CB :: 30.327(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 :: 8.396(D) HA :: 4.341(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 :: 121.271(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 R 0.18 K 0.17 D 0.14 F 0.08 Y 0.05 C 0.04 N 0.01 HN Overlap>> 1.D75 1.K58 1.D75 1.K58 1.L149 1.L149 C Shift Assignments>> C :: 177.371(D) CA :: 55.629(D) CB :: 42.511(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 :: 8.244(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 :: 122.425(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.42 D 0.19 Y 0.1 C 0.1 F 0.1 L 0.06 HN Overlap>> 1.N160 1.N160 1.D139 1.R77 1.D139 1.R77 C Shift Assignments>> C :: 175.353(D) CA :: 53.884(D) CB :: 38.920(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 :: 8.377(D) HA :: 4.681(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 :: 118.695(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G179 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 :: 173.749(D) CA :: 45.629(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.295(D) HA2 :: 4.002(D) HA3 :: 4.005(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.789(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G180 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 :: 179.020(D) CA :: 46.274(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.969(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.104(D) Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 10 #Clerical: 168 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 172 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 180 #Suspicious: 0 C Shift Results: #Consistent: 63 #Duplicate: 423 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 29 #Duplicate: 293 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 12 #Duplicate: 155 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E2 C = 176.50(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.4951e-01 1.S3 C = 174.218(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.1520e-01 1.S3 CA = 58.531(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.2725e-01 1.S3 CB = 63.843(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.7682e-01 1.S3 H = 8.234(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.3786e-01 1.S3 N = 116.315(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.9207e-01 1.L4 C = 176.970(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.9194e-01 1.L4 CA = 55.345(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.9727e-01 1.L4 CB = 42.633(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.6359e-01 1.L4 H = 8.172(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.2890e-01 1.L4 HA = 4.428(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.1826e-01 1.L4 N = 124.048(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.7478e-01 1.V5 C = 174.317(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.9285e-01 1.V5 CA = 59.980(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.8015e-01 1.V5 CB = 32.741(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.9510e-01 1.V5 H = 8.090(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6532e-01 1.V5 HA = 4.430(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.7903e-01 1.V5 N = 122.031(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.4441e-01 1.P6 C = 177.41(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.6205e-01 1.P6 CA = 63.551(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.8440e-01 1.P6 CB = 32.155(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.9604e-01 1.P6 N = 139.476(D), Expected = 134.16, Std = 6.6200, ChiSquare = 4.2196e-01 1.G7 C = 173.610(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.9001e-01 1.G7 CA = 45.391(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7559e-01 1.G7 H = 8.457(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4509e-01 1.G7 HA2 = 4.005(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.2464e-01 1.G7 N = 109.080(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.7883e-01 1.F8 CA = 57.254(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.4791e-01 1.F8 CB = 40.181(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.2718e-01 1.F8 H = 7.845(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.7444e-01 1.F8 N = 118.667(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.6970e-01 1.N9 C = 175.093(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.2123e-01 1.N9 H = 8.634(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.4074e-01 1.N9 N = 121.448(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.3209e-01 1.E10 C = 176.918(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.8036e-01 1.E10 CA = 57.706(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.5347e-01 1.E10 H = 8.635(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.0519e-01 1.E10 N = 123.355(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.4038e-01 1.K11 H = 8.449(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.6598e-01 1.K11 N = 118.160(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.4333e-01 1.T12 C = 174.646(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.5197e-01 1.T12 CA = 62.621(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.7696e-01 1.T12 CB = 69.954(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.9070e-01 1.H13 C = 173.598(D), Expected = 175.25, Std = 1.9700, ChiSquare = 4.0171e-01 1.H13 CA = 56.478(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.8549e-01 1.H13 CB = 35.110(D), Expected = 30.24, Std = 2.0700, ChiSquare = 1.8640e-02 1.H13 H = 8.261(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.7536e-01 1.H13 HA = 4.374(D), Expected = 4.61, Std = 0.4300, ChiSquare = 5.8312e-01 1.H13 N = 122.177(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.3411e-01 1.V14 C = 173.779(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.3257e-01 1.V14 CA = 60.009(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.8568e-01 1.V14 CB = 35.299(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.5123e-01 1.V14 H = 8.985(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.9959e-01 1.V14 HA = 4.602(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.7749e-01 1.V14 N = 117.034(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.6578e-01 1.Q15 C = 174.822(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.4542e-01 1.Q15 CA = 55.395(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.8296e-01 1.Q15 CB = 29.950(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.7625e-01 1.Q15 H = 8.626(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.9137e-01 1.Q15 HA = 4.876(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.6843e-01 1.Q15 N = 126.048(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.7163e-02 1.L16 C = 175.666(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.0370e-01 1.L16 CA = 53.913(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.2290e-01 1.L16 CB = 45.951(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.2782e-02 1.L16 H = 8.977(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.5046e-01 1.L16 HA = 4.912(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.0782e-01 1.L16 N = 125.589(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.3899e-01 1.S17 C = 174.272(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.3966e-01 1.S17 CA = 56.857(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.6812e-01 1.S17 CB = 63.366(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.6934e-01 1.S17 H = 8.635(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.4738e-01 1.S17 HA = 5.108(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.1641e-01 1.S17 N = 117.119(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.1161e-01 1.L18 CA = 51.632(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.1165e-02 1.L18 CB = 43.902(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.9710e-01 1.L18 H = 9.188(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.4052e-01 1.L18 N = 126.800(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.0527e-01 1.P19 C = 174.388(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.1776e-01 1.P19 CA = 62.333(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.1188e-01 1.P19 CB = 32.222(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.5257e-01 1.P19 HA = 4.093(D), Expected = 4.40, Std = 0.3300, ChiSquare = 3.5221e-01 1.V20 C = 174.961(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.2871e-01 1.V20 CA = 61.171(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.4466e-01 1.V20 CB = 31.758(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.8712e-01 1.V20 H = 8.441(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.2169e-01 1.V20 HA = 4.733(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.4917e-01 1.V20 N = 124.724(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.2986e-01 1.L21 C = 176.742(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.0032e-01 1.L21 CA = 51.989(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.8251e-02 1.L21 CB = 43.263(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.1221e-01 1.L21 H = 8.901(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.0193e-01 1.L21 HA = 4.721(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.9355e-01 1.L21 N = 126.211(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.6458e-01 1.Q22 C = 178.546(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.5152e-01 1.Q22 CA = 55.479(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.1018e-01 1.Q22 CB = 29.270(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.6494e-01 1.Q22 H = 9.133(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.2175e-01 1.Q22 HA = 4.508(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.8857e-01 1.Q22 N = 121.053(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.4665e-01 1.V23 C = 175.938(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.6708e-01 1.V23 CA = 65.909(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.3191e-01 1.V23 CB = 31.282(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.1855e-01 1.V23 H = 9.075(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.4134e-01 1.V23 HA = 3.786(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.8608e-01 1.V23 N = 125.682(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.1710e-01 1.R24 C = 176.754(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.6544e-01 1.R24 CA = 58.057(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.7743e-01 1.R24 CB = 29.821(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.3099e-01 1.R24 H = 8.065(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.7420e-01 1.R24 HA = 4.231(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.8076e-01 1.R24 N = 117.723(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.0308e-01 1.D25 C = 176.357(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.8040e-01 1.D25 CA = 54.983(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.8524e-01 1.D25 CB = 42.384(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.5320e-01 1.D25 H = 7.720(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.0904e-01 1.D25 HA = 4.606(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.6012e-01 1.D25 N = 117.139(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.6304e-01 1.V26 C = 177.212(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.0209e-01 1.V26 CA = 64.155(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.6045e-01 1.V26 CB = 32.117(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.3201e-01 1.V26 H = 6.909(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.9285e-02 1.V26 HA = 3.977(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.1344e-01 1.V26 N = 118.221(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.2026e-01 1.L27 C = 177.838(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.6844e-01 1.L27 CA = 57.390(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.0598e-01 1.L27 CB = 43.118(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.6735e-01 1.L27 H = 9.394(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.3330e-02 1.L27 HA = 4.282(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.3556e-01 1.L27 N = 131.739(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1307e-02 1.V28 C = 174.887(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.9965e-01 1.V28 CA = 62.944(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.7387e-01 1.V28 CB = 31.814(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.0884e-01 1.V28 H = 10.056(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.3934e-03 1.V28 HA = 4.076(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.4418e-01 1.V28 N = 126.705(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.2028e-01 1.R29 C = 175.271(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.7474e-01 1.R29 CA = 57.266(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.2999e-01 1.R29 CB = 30.158(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.6710e-01 1.R29 H = 8.035(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.3682e-01 1.R29 HA = 3.885(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.6696e-01 1.R29 N = 119.808(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.8749e-01 1.G30 C = 172.143(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.5830e-01 1.G30 CA = 45.470(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2864e-01 1.G30 H = 7.277(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.0523e-01 1.G30 HA2 = 4.437(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.0689e-01 1.G30 HA3 = 4.076(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.3431e-01 1.G30 N = 106.001(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.4310e-01 1.F31 C = 175.516(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.6152e-01 1.F31 CA = 59.632(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.4592e-01 1.F31 CB = 41.242(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.4914e-01 1.F31 H = 9.697(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.3319e-02 1.F31 HA = 4.607(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.6781e-01 1.F31 N = 115.678(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.5361e-01 1.G32 C = 172.556(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.8459e-01 1.G32 CA = 45.787(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.4433e-01 1.G32 H = 7.542(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.2539e-01 1.G32 HA2 = 3.882(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.1201e-01 1.G32 HA3 = 4.249(D), Expected = 3.90, Std = 0.3700, ChiSquare = 3.4556e-01 1.G32 N = 106.783(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.5567e-01 1.D33 C = 175.714(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.9506e-01 1.D33 CA = 55.370(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.3764e-01 1.D33 CB = 43.093(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.7192e-01 1.D33 H = 8.481(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.6813e-01 1.D33 HA = 4.969(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.3626e-01 1.D33 N = 115.747(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.0401e-01 1.S34 C = 174.456(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.2404e-01 1.S34 CA = 56.413(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.6507e-01 1.S34 CB = 66.201(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.0474e-01 1.S34 H = 7.559(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.2169e-01 1.S34 HA = 4.775(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.6082e-01 1.S34 N = 112.216(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.4828e-01 1.V35 C = 176.157(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.7746e-01 1.V35 CA = 67.452(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.2747e-02 1.V35 CB = 31.678(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.5673e-01 1.V35 H = 9.145(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.0191e-01 1.V35 N = 124.089(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.1598e-01 1.E36 C = 179.424(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.9028e-01 1.E36 CA = 60.054(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.9083e-01 1.E36 CB = 29.346(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.9946e-01 1.E36 H = 8.728(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.9995e-01 1.E36 HA = 4.167(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.3957e-01 1.E36 N = 117.040(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.9690e-01 1.E37 C = 178.721(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.4250e-01 1.E37 CA = 59.185(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.7221e-01 1.E37 CB = 31.214(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.8393e-01 1.E37 H = 7.576(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.0126e-01 1.E37 HA = 4.019(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.7315e-01 1.E37 N = 119.096(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.5105e-01 1.V38 C = 177.913(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.2749e-01 1.V38 CA = 65.854(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.3951e-01 1.V38 CB = 30.463(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.0534e-01 1.V38 H = 8.507(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.4603e-01 1.V38 HA = 4.220(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.5875e-01 1.V38 N = 112.416(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.4658e-02 1.L39 C = 178.665(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.9758e-01 1.L39 CA = 58.333(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.0277e-01 1.L39 CB = 42.067(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9716e-01 1.L39 H = 7.604(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3551e-01 1.L39 HA = 3.949(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.2990e-01 1.L39 N = 120.659(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.5812e-01 1.S40 C = 178.341(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.0513e-02 1.S40 CA = 61.765(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4129e-01 1.S40 CB = 62.523(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.8823e-01 1.S40 H = 7.501(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.8672e-01 1.S40 HA = 4.070(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.0536e-01 1.S40 N = 113.741(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.7072e-01 1.E41 C = 179.355(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.0254e-01 1.E41 CA = 58.860(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.6122e-01 1.E41 CB = 30.892(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.0810e-01 1.E41 H = 8.676(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.5758e-01 1.E41 HA = 4.092(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.9997e-01 1.E41 N = 121.399(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.3407e-01 1.A42 C = 179.310(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.6107e-01 1.A42 CA = 55.901(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.6318e-01 1.A42 CB = 18.529(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.9267e-01 1.A42 H = 8.431(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0024e-01 1.A42 HA = 4.201(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.9333e-01 1.A42 N = 123.555(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2685e-01 1.R43 C = 178.844(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.3052e-01 1.R43 CA = 60.599(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.7403e-02 1.R43 CB = 30.265(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.1211e-01 1.R43 H = 7.731(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.0404e-01 1.R43 HA = 4.145(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.3615e-01 1.R43 N = 114.693(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.7013e-02 1.Q44 C = 177.839(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.3298e-01 1.Q44 CA = 58.941(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.6789e-01 1.Q44 CB = 28.472(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.9321e-01 1.Q44 H = 7.676(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.5651e-01 1.Q44 HA = 3.957(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.7686e-01 1.Q44 N = 119.736(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.6588e-01 1.H45 C = 178.602(D), Expected = 175.25, Std = 1.9700, ChiSquare = 8.8845e-02 1.H45 CA = 60.002(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.3172e-01 1.H45 CB = 29.658(D), Expected = 30.24, Std = 2.0700, ChiSquare = 7.7859e-01 1.H45 H = 8.399(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.1512e-01 1.H45 HA = 4.425(D), Expected = 4.61, Std = 0.4300, ChiSquare = 6.6703e-01 1.H45 N = 117.355(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.5939e-01 1.L46 C = 179.535(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.9867e-01 1.L46 CA = 58.471(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.8073e-01 1.L46 CB = 42.064(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9589e-01 1.L46 H = 8.762(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.1309e-01 1.L46 HA = 4.095(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.3214e-01 1.L46 N = 121.627(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.5236e-01 1.K47 C = 178.273(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.1421e-01 1.K47 CA = 59.462(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.5353e-01 1.K47 CB = 32.242(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.5818e-01 1.K47 H = 7.658(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.7526e-01 1.K47 HA = 4.033(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.9014e-01 1.K47 N = 120.131(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.0741e-01 1.D48 C = 176.935(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.5982e-01 1.D48 CA = 55.209(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.9821e-01 1.D48 CB = 41.736(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.9723e-01 1.D48 H = 8.007(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.0138e-01 1.D48 HA = 4.355(D), Expected = 4.59, Std = 0.3200, ChiSquare = 4.6272e-01 1.D48 N = 117.026(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.4780e-01 1.G49 C = 176.189(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.1739e-01 1.G49 CA = 47.041(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.0697e-01 1.G49 H = 7.934(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.4237e-01 1.G49 HA2 = 4.339(D), Expected = 3.97, Std = 0.3700, ChiSquare = 3.1862e-01 1.G49 N = 108.929(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.4816e-01 1.T50 C = 174.198(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.4593e-01 1.T50 CA = 60.402(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.8272e-01 1.T50 CB = 67.454(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.6262e-01 1.T50 H = 8.905(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.8346e-01 1.T50 HA = 4.927(D), Expected = 4.46, Std = 0.4800, ChiSquare = 3.3059e-01 1.T50 N = 110.617(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.1194e-01 1.C51 C = 172.965(D), Expected = 174.95, Std = 2.0700, ChiSquare = 3.3759e-01 1.C51 CA = 57.681(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.5253e-01 1.C51 CB = 30.988(D), Expected = 32.49, Std = 6.0100, ChiSquare = 8.0265e-01 1.C51 H = 8.430(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.5239e-01 1.C51 HA = 5.419(D), Expected = 4.66, Std = 0.5500, ChiSquare = 1.6759e-01 1.C51 N = 121.242(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.1729e-01 1.G52 C = 169.993(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.9185e-02 1.G52 CA = 43.807(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.4953e-01 1.G52 H = 9.785(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.5191e-02 1.G52 HA2 = 3.235(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.6979e-02 1.G52 HA3 = 3.243(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.5787e-02 1.G52 N = 112.995(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.9025e-01 1.L53 C = 174.189(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.5717e-01 1.L53 CA = 53.529(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.2625e-01 1.L53 CB = 47.215(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.0796e-03 1.L53 H = 8.815(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.6812e-01 1.L53 HA = 5.178(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.7921e-02 1.L53 N = 120.177(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.6608e-01 1.V54 C = 176.403(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.8026e-01 1.V54 CA = 60.142(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.1166e-01 1.V54 CB = 33.768(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.6199e-01 1.V54 H = 9.464(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.9733e-02 1.V54 HA = 5.168(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.1756e-02 1.V54 N = 125.198(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.7141e-01 1.E55 C = 176.869(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.9959e-01 1.E55 CA = 57.795(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.2021e-01 1.E55 CB = 29.825(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.1435e-01 1.E55 H = 9.008(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.5049e-01 1.E55 HA = 4.823(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.6224e-01 1.E55 N = 126.715(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2375e-02 1.V56 C = 174.834(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.7911e-01 1.V56 CA = 64.281(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.3117e-01 1.V56 H = 8.564(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.8257e-01 1.V56 HA = 3.795(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.9585e-01 1.V56 N = 121.692(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.0323e-01 1.E57 HA = 4.592(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.0420e-01 1.K58 H = 8.279(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8208e-01 1.K58 N = 122.388(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.2266e-01 1.G59 C = 175.538(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.7495e-01 1.G59 CA = 45.624(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.3798e-01 1.G59 H = 8.388(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.2890e-01 1.G59 HA2 = 3.990(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.5689e-01 1.G59 N = 113.631(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.0606e-01 1.V60 CA = 66.440(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6724e-01 1.V60 H = 7.942(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.0348e-01 1.V60 HA = 3.894(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.0981e-01 1.V60 N = 121.756(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.9207e-01 1.L61 H = 8.684(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.8489e-01 1.L61 N = 119.602(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6261e-01 1.P62 C = 177.054(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.4044e-01 1.Q63 C = 175.448(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.5845e-01 1.Q63 CA = 56.300(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.9960e-01 1.Q63 CB = 30.192(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.8194e-01 1.Q63 H = 7.712(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.8923e-01 1.Q63 HA = 4.592(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.6428e-01 1.Q63 N = 113.589(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.0070e-02 1.L64 C = 174.984(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.1100e-01 1.L64 CA = 53.636(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.5162e-01 1.L64 CB = 43.747(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.4465e-01 1.L64 H = 7.980(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0052e-01 1.L64 N = 121.795(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.8670e-01 1.E65 C = 174.994(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.3602e-01 1.E65 CA = 55.771(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.5860e-01 1.E65 CB = 31.285(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.5852e-01 1.E65 H = 7.344(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4685e-02 1.E65 HA = 4.449(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.2742e-01 1.E65 N = 118.101(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.6038e-01 1.Q66 CA = 53.704(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.8049e-01 1.Q66 CB = 28.604(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.4747e-01 1.Q66 H = 8.221(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.9865e-01 1.Q66 HA = 4.606(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.4508e-01 1.Q66 N = 121.379(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.7916e-01 1.P67 C = 173.633(D), Expected = 176.75, Std = 1.5100, ChiSquare = 3.8995e-02 1.P67 CA = 61.657(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.7105e-01 1.P67 CB = 35.196(D), Expected = 31.85, Std = 1.1800, ChiSquare = 4.5741e-03 1.P67 HA = 4.437(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.1073e-01 1.Y68 CA = 56.131(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.2579e-01 1.Y68 CB = 41.455(D), Expected = 39.32, Std = 2.1600, ChiSquare = 3.2294e-01 1.Y68 H = 8.065(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.2685e-01 1.Y68 HA = 4.652(D), Expected = 4.63, Std = 0.5600, ChiSquare = 9.6866e-01 1.Y68 N = 119.598(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.2624e-01 1.V69 C = 174.455(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.3977e-01 1.V69 CA = 62.050(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.7773e-01 1.V69 CB = 32.703(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.8797e-01 1.V69 H = 9.080(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.3836e-01 1.V69 HA = 4.580(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.0132e-01 1.V69 N = 120.594(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.0427e-01 1.F70 C = 176.251(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.7625e-01 1.F70 CA = 56.480(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.3357e-01 1.F70 CB = 41.796(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.8753e-01 1.F70 H = 9.307(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.8842e-01 1.F70 HA = 4.340(D), Expected = 4.63, Std = 0.5700, ChiSquare = 6.1091e-01 1.F70 N = 123.314(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.9324e-01 1.I71 C = 174.951(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.3962e-01 1.I71 CA = 58.928(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.1695e-01 1.I71 H = 8.087(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.7655e-01 1.I71 HA = 5.159(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.0427e-02 1.I71 N = 113.093(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.0594e-02 1.K72 C = 175.143(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.5416e-01 1.K72 CA = 53.998(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.7965e-01 1.K72 CB = 36.327(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.6914e-02 1.K72 H = 9.008(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.7278e-01 1.K72 HA = 5.173(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.0143e-02 1.K72 N = 125.618(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.2564e-01 1.R73 C = 176.552(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.4423e-01 1.R73 CA = 57.540(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.3888e-01 1.R73 CB = 31.415(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.9601e-01 1.R73 H = 8.983(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.2321e-01 1.R73 HA = 4.340(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.3071e-01 1.R73 N = 123.208(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.1289e-01 1.S74 CA = 58.721(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.9961e-01 1.S74 CB = 64.449(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.6101e-01 1.S74 H = 8.790(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.8736e-01 1.S74 HA = 4.540(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.8076e-01 1.S74 N = 120.886(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.9070e-01 1.D75 C = 175.72(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.9759e-01 1.D75 CB = 41.752(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.9039e-01 1.D75 H = 8.266(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.3953e-01 1.D75 N = 122.327(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.6396e-01 1.A76 C = 177.368(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.6136e-01 1.A76 CB = 18.310(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.0208e-01 1.A76 H = 8.437(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.9284e-01 1.A76 N = 124.776(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.6231e-01 1.R77 C = 176.62(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.1761e-01 1.R77 H = 8.349(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.5818e-01 1.R77 N = 118.699(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.6805e-01 1.T78 C = 173.660(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.1707e-01 1.T78 CA = 61.878(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.9495e-01 1.T78 CB = 70.226(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.6090e-01 1.T78 H = 8.043(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.5068e-01 1.T78 HA = 4.372(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.5454e-01 1.T78 N = 114.049(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.7286e-01 1.A79 C = 176.922(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.0095e-01 1.A79 CA = 52.641(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.0103e-01 1.A79 H = 8.274(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0184e-01 1.A79 HA = 4.374(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.9556e-01 1.A79 N = 127.760(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.0066e-01 1.G82 C = 173.874(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.9830e-01 1.G82 CA = 45.645(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2575e-01 1.H83 C = 174.365(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.5326e-01 1.H83 CA = 56.172(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.8025e-01 1.H83 H = 8.154(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.9936e-01 1.H83 N = 119.595(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.8105e-01 1.V84 C = 175.011(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.4857e-01 1.V84 CA = 61.857(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.2484e-01 1.V84 CB = 33.246(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.7314e-01 1.V84 H = 8.090(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.6532e-01 1.V84 HA = 4.219(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.6012e-01 1.V84 N = 121.529(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3172e-01 1.M85 C = 176.629(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.2990e-01 1.M85 CA = 55.966(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.4851e-01 1.M85 CB = 33.501(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.1955e-01 1.M85 H = 8.783(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.8339e-01 1.M85 HA = 5.200(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.9798e-02 1.M85 N = 127.869(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.9332e-02 1.V86 C = 174.269(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.7705e-01 1.V86 CA = 58.779(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9444e-01 1.V86 CB = 37.001(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.7031e-02 1.V86 H = 8.849(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.0410e-01 1.V86 HA = 5.630(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.3037e-02 1.V86 N = 117.261(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.9288e-01 1.E87 C = 174.272(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.8276e-01 1.E87 CA = 54.148(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.2909e-01 1.E87 CB = 34.023(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.9641e-02 1.E87 H = 8.983(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.6839e-01 1.E87 HA = 4.670(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.0565e-01 1.E87 N = 117.022(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.9451e-01 1.L88 C = 177.137(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.4082e-01 1.L88 CA = 54.869(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.2440e-01 1.L88 CB = 44.126(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.3407e-01 1.L88 H = 8.556(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.1599e-01 1.L88 HA = 5.139(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.1412e-02 1.L88 N = 121.708(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.6891e-01 1.V89 C = 173.357(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.3363e-01 1.V89 CA = 60.855(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.6754e-01 1.V89 CB = 36.395(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.0610e-02 1.V89 H = 8.761(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.8207e-01 1.V89 HA = 4.570(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.1236e-01 1.V89 N = 119.965(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.9578e-01 1.A90 C = 176.648(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.0818e-01 1.A90 CA = 50.628(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.0455e-01 1.A90 CB = 22.936(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.1924e-02 1.A90 H = 8.697(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.0748e-01 1.A90 HA = 5.872(S), Expected = 4.26, Std = 0.4400, ChiSquare = 2.4866e-04 1.A90 N = 125.998(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.3426e-01 1.E91 C = 175.049(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.5038e-01 1.E91 CA = 55.655(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.2565e-01 1.E91 CB = 34.763(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.7208e-03 1.E91 H = 8.873(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.5740e-01 1.E91 HA = 4.958(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.4198e-02 1.E91 N = 118.510(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.3480e-01 1.L92 CA = 57.337(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.2018e-01 1.L92 CB = 43.349(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.8050e-01 1.L92 H = 8.855(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.3628e-01 1.L92 HA = 4.316(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.9321e-01 1.L92 N = 123.859(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0826e-01 1.E93 C = 177.457(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.6339e-01 1.E93 CA = 57.382(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.7633e-01 1.E93 HA = 4.509(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.2758e-01 1.G94 C = 174.074(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.1359e-01 1.G94 CA = 46.379(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.4254e-01 1.G94 H = 8.219(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.6441e-01 1.G94 HA2 = 4.057(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.1410e-01 1.G94 N = 106.379(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.9511e-01 1.I95 CA = 62.256(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.0952e-01 1.I95 CB = 38.679(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.8065e-01 1.I95 H = 7.589(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.0955e-01 1.I95 HA = 3.984(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.2634e-01 1.I95 N = 119.401(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.3046e-01 1.Q96 C = 177.143(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.6925e-01 1.Q96 CA = 56.293(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.9701e-01 1.Y97 C = 174.917(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.0823e-01 1.Y97 CA = 58.849(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.7453e-01 1.Y97 H = 8.881(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.4219e-01 1.Y97 N = 120.286(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.5557e-01 1.G98 CA = 46.152(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.4950e-01 1.G98 H = 7.934(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.4237e-01 1.G98 N = 108.994(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6133e-01 1.R99 CA = 55.795(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.7297e-01 1.R99 H = 7.826(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.9734e-01 1.R99 N = 118.720(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.7193e-01 1.G101 C = 174.208(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.5732e-01 1.G101 CA = 45.871(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.9742e-01 1.G101 H = 8.684(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.8602e-01 1.G101 HA2 = 4.371(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.7846e-01 1.G101 HA3 = 4.157(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.8731e-01 1.G101 N = 112.902(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.0364e-01 1.E102 CB = 30.714(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.8232e-01 1.E102 H = 8.367(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.5000e-01 1.E102 HA = 4.735(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.3684e-01 1.E102 N = 119.022(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.3581e-01 1.T103 C = 174.247(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.6778e-01 1.T103 CA = 63.244(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.9257e-01 1.T103 CB = 74.890(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.5474e-03 1.T103 H = 8.295(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.2931e-01 1.T103 HA = 4.368(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.4800e-01 1.T103 N = 117.708(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.3003e-01 1.L104 C = 177.245(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.9753e-01 1.L104 CA = 56.500(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.7950e-01 1.L104 CB = 43.204(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.3441e-01 1.L104 H = 9.036(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.1498e-01 1.L104 HA = 5.173(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.9540e-02 1.L104 N = 126.730(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.1177e-01 1.G105 C = 170.124(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.6310e-02 1.G105 CA = 45.651(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2227e-01 1.G105 H = 7.486(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.9413e-01 1.G105 HA2 = 4.194(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.4491e-01 1.G105 HA3 = 4.348(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.2597e-01 1.G105 N = 103.851(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3268e-01 1.V106 C = 174.727(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.3835e-01 1.V106 CA = 60.270(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.3762e-01 1.V106 CB = 34.906(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.2412e-01 1.V106 H = 9.190(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7918e-01 1.V106 HA = 4.566(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.1681e-01 1.V106 N = 121.126(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.9754e-01 1.L107 C = 174.973(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.0835e-01 1.L107 CA = 53.701(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.6762e-01 1.L107 CB = 43.763(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.3960e-01 1.L107 H = 9.007(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.3194e-01 1.L107 HA = 5.360(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.6914e-02 1.L107 N = 126.703(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.1431e-01 1.V108 CA = 58.314(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4425e-01 1.V108 CB = 33.598(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.2774e-01 1.V108 H = 8.403(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.6607e-01 1.V108 HA = 4.469(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.3049e-01 1.V108 N = 113.588(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.6225e-02 1.P109 C = 173.340(D), Expected = 176.75, Std = 1.5100, ChiSquare = 2.3928e-02 1.P109 CA = 63.643(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.3685e-01 1.P109 CB = 31.906(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.6215e-01 1.P109 HA = 4.769(D), Expected = 4.40, Std = 0.3300, ChiSquare = 2.6349e-01 1.H110 C = 175.828(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.6922e-01 1.H110 CA = 53.499(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.9094e-01 1.H110 H = 8.086(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.2084e-01 1.H110 HA = 5.158(D), Expected = 4.61, Std = 0.4300, ChiSquare = 2.0251e-01 1.H110 N = 120.935(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.5561e-01 1.V111 C = 175.520(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.5803e-01 1.V111 CA = 60.576(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.0335e-01 1.V111 H = 10.348(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.1289e-03 1.V111 HA = 4.412(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.0190e-01 1.V111 N = 130.009(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.0758e-02 1.G112 C = 174.798(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.2158e-01 1.G112 CA = 45.323(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8392e-01 1.G112 H = 6.619(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4807e-03 1.G112 HA2 = 3.945(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.4613e-01 1.G112 N = 107.299(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.4010e-01 1.E113 C = 177.208(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.6239e-01 1.E113 CA = 59.059(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.0538e-01 1.E113 CB = 29.991(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.9119e-01 1.E113 H = 10.669(S), Expected = 8.33, Std = 0.5900, ChiSquare = 7.3579e-05 1.E113 N = 124.740(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.4219e-01 1.I114 CA = 58.808(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.9578e-01 1.I114 CB = 37.311(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.1378e-01 1.I114 H = 9.017(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.7844e-01 1.I114 N = 125.658(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.2667e-01 1.P115 C = 177.397(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.6830e-01 1.P115 CA = 62.449(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.6218e-01 1.P115 CB = 33.115(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.8370e-01 1.P115 HA = 4.643(D), Expected = 4.40, Std = 0.3300, ChiSquare = 4.6151e-01 1.V116 C = 175.684(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.7313e-01 1.V116 CA = 61.562(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.4558e-01 1.V116 CB = 32.906(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.2168e-01 1.V116 H = 8.864(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.9160e-01 1.V116 HA = 4.370(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.5630e-01 1.V116 N = 114.430(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.3941e-01 1.A117 C = 174.043(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.2620e-02 1.A117 CA = 51.325(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.5932e-01 1.A117 CB = 21.049(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.6519e-01 1.A117 H = 7.755(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.5829e-01 1.A117 HA = 4.458(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.5271e-01 1.A117 N = 120.587(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.5530e-01 1.Y118 C = 175.795(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.4266e-01 1.Y118 CA = 57.903(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.2794e-01 1.Y118 CB = 42.316(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.6543e-01 1.Y118 H = 8.440(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.6943e-01 1.Y118 HA = 5.307(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.2669e-01 1.Y118 N = 115.994(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.8120e-01 1.R119 C = 174.763(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.1718e-01 1.R119 CA = 53.459(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.5176e-01 1.R119 CB = 32.155(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.2657e-01 1.R119 H = 9.402(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.6791e-02 1.R119 HA = 4.783(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.9372e-01 1.R119 N = 122.273(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.8896e-01 1.K120 C = 176.812(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.3147e-01 1.K120 CA = 56.327(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.7704e-01 1.K120 CB = 35.332(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.5327e-01 1.K120 H = 8.600(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.9440e-01 1.K120 HA = 5.140(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.8011e-02 1.K120 N = 126.561(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.4379e-01 1.V121 C = 173.515(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.6791e-01 1.V121 CA = 58.918(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.1168e-01 1.V121 CB = 36.194(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.2966e-02 1.V121 H = 8.986(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.9890e-01 1.V121 HA = 5.262(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.4563e-02 1.V121 N = 117.139(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.7817e-01 1.L122 C = 174.888(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.8841e-01 1.L122 CA = 53.355(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.8761e-01 1.L122 CB = 44.901(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.6814e-01 1.L122 H = 8.776(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0091e-01 1.L122 HA = 5.187(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.5084e-02 1.L122 N = 123.330(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.0623e-01 1.L123 C = 176.094(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.5089e-01 1.L123 CA = 53.805(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.9415e-01 1.L123 CB = 45.834(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.0866e-02 1.L123 H = 8.928(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.8289e-01 1.L123 HA = 4.842(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.6672e-01 1.L123 N = 125.100(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.0610e-01 1.R124 C = 176.468(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.7721e-01 1.R124 CA = 57.048(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.0421e-01 1.R124 CB = 30.688(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.9477e-01 1.R124 H = 8.766(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.8853e-01 1.R124 HA = 4.164(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.6750e-01 1.R124 N = 126.283(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.3624e-01 1.K125 C = 175.241(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.8424e-01 1.K125 CA = 57.854(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.8114e-01 1.K125 CB = 33.633(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.3579e-01 1.K125 H = 8.442(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.7449e-01 1.K125 HA = 4.666(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.6812e-01 1.N126 CA = 54.908(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.6682e-01 1.N126 CB = 41.379(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.1158e-01 1.N126 H = 7.904(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.8890e-01 1.N126 HA = 4.506(D), Expected = 4.67, Std = 0.3600, ChiSquare = 6.4871e-01 1.N126 N = 124.315(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.8147e-01 1.K129 C = 177.070(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.2977e-01 1.G130 C = 173.96(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6182e-01 1.G130 N = 109.67(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.0000e+00 1.A131 C = 178.25(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.1077e-01 1.A131 H = 8.272(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0448e-01 1.A131 N = 123.630(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.1004e-01 1.G132 N = 108.17(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.9831e-01 1.G133 N = 114.445(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.1726e-01 1.H134 H = 8.223(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.8006e-01 1.H134 N = 118.964(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.5598e-01 1.Y136 C = 176.300(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.5108e-01 1.Y136 H = 8.311(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.9016e-01 1.Y136 N = 122.208(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.8775e-01 1.G137 C = 174.015(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.3852e-01 1.G137 CA = 45.684(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.0316e-01 1.G137 H = 8.343(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8404e-01 1.G137 HA2 = 3.861(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.6830e-01 1.G137 N = 110.491(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3199e-01 1.A138 C = 177.373(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.6320e-01 1.A138 CA = 52.863(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.8874e-01 1.A138 CB = 19.637(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.3188e-01 1.A138 H = 8.098(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6501e-01 1.A138 HA = 4.329(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.7539e-01 1.A138 N = 123.653(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.0489e-01 1.D139 C = 176.202(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.0992e-01 1.D139 CA = 54.406(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.8874e-01 1.D139 CB = 41.165(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.6035e-01 1.D139 H = 8.361(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.2993e-01 1.D139 HA = 4.610(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.5016e-01 1.D139 N = 118.670(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.0798e-01 1.L140 C = 177.365(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.4978e-01 1.L140 CA = 55.598(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.9176e-01 1.L140 CB = 42.420(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.5334e-01 1.L140 H = 8.047(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.7830e-01 1.L140 HA = 4.355(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.4064e-01 1.L140 N = 122.219(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.2666e-01 1.K141 C = 176.497(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.4300e-01 1.K141 CA = 56.521(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.4539e-01 1.K141 CB = 32.959(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.2436e-01 1.K141 H = 8.244(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.2829e-01 1.K141 HA = 4.340(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.7360e-01 1.K141 N = 121.376(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.3109e-01 1.S142 C = 174.170(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.9361e-01 1.S142 CA = 58.349(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.5776e-01 1.S142 CB = 63.813(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.9299e-01 1.S142 H = 8.122(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.8886e-01 1.S142 HA = 4.426(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.9261e-01 1.S142 N = 116.097(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5854e-01 1.F143 C = 175.128(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.8334e-01 1.F143 CA = 57.817(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.1849e-01 1.F143 CB = 39.810(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.3137e-01 1.F143 H = 8.141(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.6100e-01 1.F143 HA = 4.667(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.4824e-01 1.F143 N = 121.569(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.8893e-01 1.D144 C = 176.003(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.2053e-01 1.D144 CA = 54.399(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.8601e-01 1.D144 CB = 41.675(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.2361e-01 1.D144 H = 8.292(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.7524e-01 1.D144 HA = 4.664(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.1712e-01 1.D144 N = 121.747(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.7626e-01 1.L145 C = 177.945(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.2958e-01 1.L145 CA = 55.616(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.9850e-01 1.L145 CB = 42.530(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.0684e-01 1.L145 H = 8.198(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6074e-01 1.L145 HA = 4.359(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.3387e-01 1.L145 N = 122.673(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.3487e-01 1.G146 C = 174.118(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.9505e-01 1.G146 CA = 45.700(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9394e-01 1.G146 H = 8.432(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.7531e-01 1.G146 HA2 = 4.003(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.2893e-01 1.G146 HA3 = 4.020(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.4569e-01 1.G146 N = 109.059(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.7455e-01 1.D147 C = 176.517(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.4670e-01 1.D147 CA = 54.584(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.5836e-01 1.D147 CB = 41.575(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.6791e-01 1.D147 H = 8.214(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.6854e-01 1.D147 HA = 4.670(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.0259e-01 1.D147 N = 120.457(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.6012e-01 1.E148 C = 176.630(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.0205e-01 1.E148 CA = 57.065(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.0289e-01 1.E148 CB = 30.234(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.9638e-01 1.E148 CG = 36.754(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.8839e-01 1.E148 H = 8.469(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.1375e-01 1.E148 HA = 4.308(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.8750e-01 1.E148 N = 120.824(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.6470e-01 1.L149 C = 177.961(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.2385e-01 1.L149 CA = 55.571(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.8165e-01 1.L149 CB = 42.633(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.6359e-01 1.L149 H = 8.262(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6074e-01 1.L149 HA = 4.385(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.9001e-01 1.L149 N = 122.386(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.9271e-01 1.G150 C = 174.201(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.6024e-01 1.G150 CA = 45.602(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5083e-01 1.G150 H = 8.366(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.5583e-01 1.G150 HA2 = 4.026(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.7970e-01 1.G150 HA3 = 4.036(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.1320e-01 1.G150 N = 109.211(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.0559e-01 1.T151 C = 174.088(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.9732e-01 1.T151 CA = 61.706(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4269e-01 1.T151 CB = 70.233(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.5763e-01 1.T151 H = 7.984(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.7968e-01 1.T151 HA = 4.378(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.6435e-01 1.T151 N = 113.096(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.2466e-01 1.D152 CA = 52.560(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.9406e-01 1.D152 CB = 41.581(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.6522e-01 1.D152 H = 8.470(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.8265e-01 1.D152 HA = 4.924(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.9660e-01 1.D152 N = 124.405(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.3065e-01 1.P153 C = 176.808(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.6936e-01 1.P153 CA = 63.702(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.0666e-01 1.P153 CB = 32.062(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.5742e-01 1.P153 HA = 4.402(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.9516e-01 1.Y154 C = 176.021(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.5499e-01 1.Y154 CA = 58.173(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.8633e-01 1.Y154 CB = 38.516(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.0973e-01 1.Y154 H = 8.238(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.1056e-01 1.Y154 HA = 4.554(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.9205e-01 1.Y154 N = 119.310(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.7327e-01 1.E155 C = 175.874(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.0951e-01 1.E155 CA = 56.974(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.6851e-01 1.E155 CB = 30.794(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.4852e-01 1.E155 H = 7.970(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.4175e-01 1.E155 HA = 4.217(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.3585e-01 1.E155 N = 121.910(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.2160e-01 1.D156 C = 176.084(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.5670e-01 1.D156 CA = 54.517(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.3209e-01 1.D156 CB = 41.441(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.2912e-01 1.D156 H = 8.229(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.8893e-01 1.D156 HA = 4.596(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.8504e-01 1.D156 N = 121.056(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.1623e-01 1.F157 C = 175.873(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.1993e-01 1.F157 CA = 58.355(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.1479e-01 1.F157 CB = 39.412(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.8212e-01 1.F157 H = 8.122(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.4098e-01 1.F157 HA = 4.564(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.0782e-01 1.F157 N = 120.674(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.5726e-01 1.Q158 C = 175.957(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.5635e-01 1.Q158 CA = 56.232(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.7450e-01 1.Q158 CB = 29.590(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.2604e-01 1.Q158 H = 8.116(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.6008e-01 1.Q158 HA = 4.197(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.6823e-01 1.Q158 N = 121.261(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.0333e-01 1.E159 C = 176.500(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.4951e-01 1.E159 CA = 56.951(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.5986e-01 1.E159 CB = 30.048(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.8237e-01 1.E159 H = 8.291(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4730e-01 1.E159 HA = 4.164(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.3386e-01 1.E159 N = 121.044(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.1442e-01 1.N160 C = 175.448(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.2079e-01 1.N160 CA = 54.292(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.8916e-01 1.N160 CB = 41.475(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.9367e-02 1.N160 H = 8.357(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.7847e-01 1.N160 HA = 4.348(D), Expected = 4.67, Std = 0.3600, ChiSquare = 3.7108e-01 1.N160 N = 118.710(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.5646e-01 1.W161 C = 176.741(D), Expected = 176.12, Std = 2.0100, ChiSquare = 7.5736e-01 1.W161 CA = 57.805(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.5518e-01 1.W161 CB = 29.304(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.2541e-01 1.W161 H = 8.140(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.4941e-01 1.W161 HA = 4.181(D), Expected = 4.68, Std = 0.5300, ChiSquare = 3.4644e-01 1.W161 N = 121.292(D), Expected = 121.68, Std = 4.1800, ChiSquare = 9.2604e-01 1.N162 CA = 53.787(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.9547e-01 1.N162 CB = 41.625(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.2443e-02 1.N162 HA = 4.682(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.7341e-01 1.T163 C = 174.850(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.6019e-01 1.T163 CA = 62.800(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.2281e-01 1.T163 CB = 70.329(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.1326e-01 1.T163 H = 7.944(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.3306e-01 1.T163 HA = 4.380(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.6763e-01 1.T163 N = 113.652(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.0974e-01 1.K164 C = 174.391(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.6080e-01 1.K164 CA = 56.991(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.8513e-01 1.K164 CB = 32.751(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.8252e-01 1.K164 H = 8.107(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8998e-01 1.K164 N = 122.664(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.6857e-01 1.G168 C = 174.176(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.7070e-01 1.G168 CA = 45.657(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.1879e-01 1.G168 HA2 = 4.063(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.0154e-01 1.G168 HA3 = 3.951(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.9037e-01 1.G168 N = 110.61(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0809e-01 1.V169 C = 176.426(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.7141e-01 1.V169 CA = 62.704(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.4035e-01 1.V169 CB = 32.773(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.8083e-01 1.V169 H = 7.959(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.2128e-01 1.V169 HA = 4.226(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.5051e-01 1.V169 N = 119.254(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.7784e-01 1.T170 CA = 62.270(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.8460e-01 1.T170 CB = 69.860(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.3643e-01 1.T170 H = 8.102(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.2386e-01 1.T170 HA = 4.378(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.6435e-01 1.T170 N = 117.796(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.1693e-01 1.R171 C = 176.112(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.8329e-01 1.R171 CA = 56.468(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.9598e-01 1.R171 CB = 31.113(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.2145e-01 1.R171 H = 8.365(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.3764e-01 1.R171 HA = 4.308(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.8612e-01 1.R171 N = 123.557(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.5375e-01 1.E172 C = 176.752(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.5175e-01 1.E172 CA = 57.360(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.8473e-01 1.E172 CB = 30.252(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.8811e-01 1.E172 H = 8.451(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.3751e-01 1.E172 HA = 4.339(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.2815e-01 1.E172 N = 121.794(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.4670e-01 1.L173 C = 177.584(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.6418e-01 1.L173 CA = 55.828(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.2221e-01 1.L173 CB = 42.456(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.3810e-01 1.L173 H = 8.143(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.9352e-01 1.L173 HA = 4.364(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.2541e-01 1.L173 N = 122.561(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.5735e-01 1.M174 C = 176.487(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.8322e-01 1.M174 CA = 56.072(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.8640e-01 1.M174 CB = 32.689(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.9311e-01 1.M174 H = 8.255(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.9335e-01 1.M174 HA = 4.492(D), Expected = 4.41, Std = 0.4800, ChiSquare = 8.6435e-01 1.M174 N = 120.277(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.5823e-01 1.R175 C = 176.619(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.1800e-01 1.R175 CA = 56.738(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.8895e-01 1.R175 CB = 30.985(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.7624e-01 1.R175 H = 8.184(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.2685e-01 1.R175 HA = 4.381(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.6023e-01 1.R175 N = 121.790(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.8791e-01 1.E176 C = 176.849(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.9141e-01 1.E176 CB = 30.327(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.5378e-01 1.E176 H = 8.396(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.1093e-01 1.E176 HA = 4.341(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.2435e-01 1.E176 N = 121.271(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.6289e-01 1.L177 C = 177.371(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.4741e-01 1.L177 CA = 55.629(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.9663e-01 1.L177 CB = 42.511(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1486e-01 1.L177 H = 8.244(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8282e-01 1.L177 N = 122.425(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8481e-01 1.N178 C = 175.353(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.6302e-01 1.N178 CA = 53.884(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.5481e-01 1.N178 CB = 38.920(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.9175e-01 1.N178 H = 8.377(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.5317e-01 1.N178 HA = 4.681(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.7562e-01 1.N178 N = 118.695(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.5350e-01 1.G179 C = 173.749(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.4868e-01 1.G179 CA = 45.629(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.3507e-01 1.G179 H = 8.295(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.5706e-01 1.G179 HA2 = 4.002(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.3108e-01 1.G179 HA3 = 4.005(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.7658e-01 1.G179 N = 109.789(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.7547e-01 1.G180 C = 179.020(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.1559e-03 1.G180 CA = 46.274(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.9048e-01 1.G180 H = 7.969(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.7863e-01 1.G180 N = 115.104(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.6028e-01