Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> A 0.88 M 0.05 C 0.03 L 0.02 C Shift Assignments>> C :: 173.426 CA :: 52.711(D) CB :: 20.085(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.D2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 D 0.26 F 0.11 C 0.1 L 0.09 C Shift Assignments>> C :: 174.959 CA :: 53.989(D) CB :: 39.341(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 :: 8.782(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 :: 117.146(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.79 M 0.11 C 0.04 L 0.03 C Shift Assignments>> C :: 177.680 CA :: 53.816(D) CB :: 19.886(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.492(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.593(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.2 W 0.2 C 0.18 Q 0.17 K 0.12 M 0.07 I 0.01 V 0.01 HN Overlap>> 1.D69 1.D69 C Shift Assignments>> C :: 176.050 CA :: 57.150(D) CB :: 30.079(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 :: 8.310(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.698(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.24 M 0.22 C 0.21 K 0.21 W 0.04 V 0.02 E 0.02 C Shift Assignments>> C :: 176.259 CA :: 56.824(D) CB :: 33.676(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 :: 8.256(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 :: 120.827(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.83 M 0.08 C 0.03 L 0.03 C Shift Assignments>> C :: 177.402 CA :: 53.400(D) CB :: 19.988(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.278(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.453(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.81 M 0.1 C 0.04 L 0.03 C Shift Assignments>> C :: 177.582 CA :: 53.676(D) CB :: 19.941(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.265(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.290(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.43 D 0.26 F 0.1 C 0.09 L 0.08 C Shift Assignments>> C :: 174.906 CA :: 53.676(D) CB :: 39.349(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 :: 8.344(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 :: 116.053(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.39 D 0.27 F 0.11 L 0.09 C 0.09 C Shift Assignments>> C :: 175.205 CA :: 53.934(D) CB :: 39.418(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 :: 8.295(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.540(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.24 C 0.22 M 0.21 K 0.2 W 0.04 E 0.03 V 0.03 HN Overlap>> 1.K77 1.Q68 1.K77 1.Q68 C Shift Assignments>> C :: 175.593 CA :: 56.945(D) CB :: 33.792(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 :: 8.109(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.669(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 Q 0.22 K 0.21 C 0.19 W 0.05 E 0.02 V 0.01 C Shift Assignments>> C :: 174.391 CA :: 55.057(D) CB :: 33.263(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 :: 8.258(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 :: 122.099(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.54 P 0.27 C 0.15 I 0.01 C Shift Assignments>> C :: 177.872 CA :: 63.882(D) CB :: 33.343(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.V13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.57 V 0.42 HN Overlap>> 1.K42 1.K42 C Shift Assignments>> C :: 177.924 CA :: 63.321(D) CB :: 29.943(D) CG1 :: 20.351(D) CG2 :: 23.752(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 :: 8.218(D) HG11 :: 0.547(D) HG12 :: 0.547(D) HG13 :: 0.547(D) HG21 :: 0.188(D) HG22 :: 0.188(D) HG23 :: 0.188(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 :: 118.455(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 N 0.3 L 0.13 F 0.12 C 0.08 C Shift Assignments>> C :: 175.867 CA :: 54.097(D) CB :: 39.875(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 :: 8.401(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.922(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.599 CA :: 59.210(D) CB :: 64.493(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.193(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.331(D) Ave N Shift Values>> N :: 116.28(3.52) 1.W16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.2 E 0.18 Q 0.11 K 0.1 M 0.09 V 0.04 I 0.01 HN Overlap>> 1.Q29 1.Q29 C Shift Assignments>> C :: 179.015 CA :: 58.247(D) CB :: 30.841(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 :: 8.128(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 :: 120.909(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 177.695 CA :: 62.288(D) CB :: 71.362(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 :: 7.929(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 :: 112.963(D) Ave N Shift Values>> N :: 115.42(4.75) 1.C18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.37 C 0.16 L 0.14 D 0.14 I 0.08 K 0.05 N 0.02 C Shift Assignments>> C :: 176.126 CA :: 57.490(D) CB :: 40.243(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.532(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 :: 117.594(D) Ave N Shift Values>> N :: 120.17(4.64) 1.E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.19 C 0.18 K 0.17 E 0.16 Q 0.15 I 0.07 M 0.02 V 0.01 C Shift Assignments>> C :: 177.376 CA :: 58.399(D) CB :: 29.109(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 :: 8.406(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.641(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.37 D 0.18 F 0.16 C 0.15 L 0.06 E 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 177.875 CA :: 54.763(D) CB :: 38.671(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 :: 8.073(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 :: 116.417(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.41 I 0.29 C 0.2 L 0.04 K 0.02 D 0.02 C Shift Assignments>> C :: 176.414 CA :: 59.714(D) CB :: 40.135(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 :: 7.862(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.252(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.46 C 0.43 G 0.05 A 0.04 HN Overlap>> 1.W82 1.W82 1.I85 1.I85 C Shift Assignments>> C :: 176.711 CA :: 56.645(D) CB :: 42.816(D) CD1 :: 22.268(D) CD2 :: 25.575(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 :: 7.975(D) HD11 :: 0.863(D) HD12 :: 0.863(D) HD13 :: 0.863(D) HD21 :: 0.750(D) HD22 :: 0.750(D) HD23 :: 0.750(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 :: 119.244(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.78 M 0.13 C 0.04 L 0.02 C Shift Assignments>> C :: 177.960 CA :: 53.964(D) CB :: 19.756(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.923(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.898(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.318 CA :: 63.584(D) CB :: 33.377(D) CG1 :: 21.715(D) CG2 :: 23.723(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 :: 7.766(D) HG11 :: 1.087(D) HG12 :: 1.087(D) HG13 :: 1.087(D) HG21 :: 1.044(D) HG22 :: 1.044(D) HG23 :: 1.044(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 :: 114.851(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.44 D 0.21 F 0.12 C 0.12 L 0.06 HN Overlap>> 1.K42 1.K42 C Shift Assignments>> C :: 177.384 CA :: 54.108(D) CB :: 38.891(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 :: 8.283(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 :: 118.574(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 E 0.18 W 0.18 K 0.18 C 0.16 M 0.05 I 0.02 HN Overlap>> 1.D83 1.D83 C Shift Assignments>> C :: 178.673 CA :: 56.953(D) CB :: 29.434(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 :: 8.140(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 :: 117.864(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.424 CA :: 59.353(D) CB :: 64.462(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.049(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 :: 113.451(D) Ave N Shift Values>> N :: 116.28(3.52) 1.F28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.42 C 0.19 I 0.18 L 0.08 D 0.05 K 0.05 C Shift Assignments>> C :: 176.089 CA :: 58.796(D) CB :: 40.319(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 :: 8.022(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 :: 119.502(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.21 C 0.19 W 0.18 E 0.14 M 0.12 K 0.12 HN Overlap>> 1.W16 1.W16 C Shift Assignments>> C :: 175.703 CA :: 54.108(D) CB :: 30.013(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 :: 8.088(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 :: 120.934(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.47 P 0.38 C 0.11 C Shift Assignments>> C :: 178.087 CA :: 64.216(D) CB :: 32.650(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.T31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.058 CA :: 62.584(D) CB :: 70.713(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 :: 8.034(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.183(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 M 0.08 C 0.04 L 0.04 C Shift Assignments>> C :: 178.461 CA :: 53.565(D) CB :: 20.067(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.225(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.989(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 177.751 CA :: 63.656(D) CB :: 33.328(D) CG1 :: 24.530(D) CG2 :: 21.390(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 :: 8.016(D) HG11 :: 1.303(D) HG12 :: 1.303(D) HG13 :: 1.303(D) HG21 :: 0.914(D) HG22 :: 0.914(D) HG23 :: 0.914(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 :: 116.838(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G34 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 :: 173.940 CA :: 46.268(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.287(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.564(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 K 0.22 C 0.18 L 0.15 I 0.07 G 0.05 D 0.02 HN Overlap>> 1.L39 1.L39 C Shift Assignments>> C :: 176.494 CA :: 59.478(D) CB :: 42.831(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 :: 8.026(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 :: 118.440(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.78 M 0.13 C 0.04 L 0.02 C Shift Assignments>> C :: 179.224 CA :: 53.944(D) CB :: 19.764(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.173(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.386(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 E 0.18 W 0.18 K 0.18 C 0.16 M 0.04 I 0.02 C Shift Assignments>> C :: 178.137 CA :: 57.097(D) CB :: 29.396(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 :: 8.058(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.605(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.79 M 0.1 C 0.04 L 0.03 C Shift Assignments>> C :: 179.670 CA :: 53.809(D) CB :: 19.951(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.115(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.128(D) Ave N Shift Values>> N :: 123.23(3.54) 1.L39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.66 C 0.28 G 0.03 HN Overlap>> 1.F35 1.F35 1.V52 1.V52 C Shift Assignments>> C :: 178.123 CA :: 56.436(D) CB :: 42.817(D) CD1 :: 25.243(D) CD2 :: 23.613(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 :: 8.027(D) HD11 :: 0.628(D) HD12 :: 0.628(D) HD13 :: 0.628(D) HD21 :: 0.519(D) HD22 :: 0.519(D) HD23 :: 0.519(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.353(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.34 D 0.29 F 0.13 L 0.11 C 0.09 HN Overlap>> 1.D43 1.D43 C Shift Assignments>> C :: 174.974 CA :: 54.226(D) CB :: 39.568(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 :: 8.194(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 :: 116.157(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.32 D 0.28 F 0.15 L 0.11 C 0.1 I 0.01 C Shift Assignments>> C :: 175.185 CA :: 54.507(D) CB :: 39.489(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 :: 8.215(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 :: 116.843(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 K 0.22 M 0.18 Q 0.16 W 0.07 V 0.05 E 0.05 HN Overlap>> 1.D25 1.V13 1.D25 1.V13 C Shift Assignments>> C :: 176.248 CA :: 57.591(D) CB :: 33.010(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 :: 8.189(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.538(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.46 D 0.21 C 0.11 F 0.11 L 0.06 HN Overlap>> 1.N40 1.N40 C Shift Assignments>> C :: 175.757 CA :: 53.856(D) CB :: 38.951(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 :: 8.255(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 :: 116.163(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.27 K 0.21 Q 0.21 C 0.19 W 0.05 E 0.03 V 0.01 C Shift Assignments>> C :: 175.584 CA :: 55.230(D) CB :: 33.183(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 :: 7.977(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.801(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.49 P 0.35 C 0.12 C Shift Assignments>> C :: 177.677 CA :: 64.201(D) CB :: 32.843(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.E46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.18 W 0.18 E 0.18 C 0.16 M 0.04 I 0.03 L 0.01 HN Overlap>> 1.D51 1.D51 C Shift Assignments>> C :: 175.389 CA :: 57.104(D) CB :: 29.343(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 :: 8.421(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 :: 117.938(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.37 C 0.21 D 0.12 I 0.09 L 0.08 N 0.07 E 0.01 C Shift Assignments>> C :: 175.103 CA :: 57.039(D) CB :: 39.187(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 :: 8.340(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 :: 117.084(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.8 M 0.1 C 0.04 L 0.03 C Shift Assignments>> C :: 176.538 CA :: 53.748(D) CB :: 19.951(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.102(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.965(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 173.953 CA :: 63.312(D) CB :: 33.352(D) CG1 :: 21.274(D) CG2 :: 20.359(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 :: 7.913(D) HG11 :: 0.777(D) HG12 :: 0.777(D) HG13 :: 0.777(D) HG21 :: 0.863(D) HG22 :: 0.863(D) HG23 :: 0.863(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 :: 116.556(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.42 C 0.42 G 0.09 K 0.03 A 0.02 C Shift Assignments>> C :: 173.952 CA :: 56.041(D) CB :: 43.172(D) CD1 :: 23.088(D) CD2 :: 26.520(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 :: 8.111(D) HD11 :: 0.236(D) HD12 :: 0.236(D) HD13 :: 0.236(D) HD21 :: 0.583(D) HD22 :: 0.583(D) HD23 :: 0.583(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 :: 122.481(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.47 D 0.21 C 0.1 F 0.1 L 0.06 HN Overlap>> 1.E46 1.E46 C Shift Assignments>> C :: 175.693 CA :: 53.814(D) CB :: 38.945(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 :: 8.347(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 :: 117.888(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.75 C 0.24 HN Overlap>> 1.L39 1.L39 C Shift Assignments>> C :: 176.882 CA :: 63.326(D) CB :: 33.376(D) CG1 :: 21.260(D) CG2 :: 21.292(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 :: 8.022(D) HG11 :: 0.472(D) HG12 :: 0.472(D) HG13 :: 0.472(D) HG21 :: 0.877(D) HG22 :: 0.877(D) HG23 :: 0.877(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 :: 118.302(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.2 W 0.19 Q 0.18 C 0.17 K 0.13 M 0.07 I 0.01 V 0.01 C Shift Assignments>> C :: 179.072 CA :: 57.060(D) CB :: 29.966(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 :: 8.368(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 :: 120.936(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G54 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 :: 175.313 CA :: 46.324(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.273(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.515(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 179.101 CA :: 61.874(D) CB :: 39.613(D) CD1 :: 13.485(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 :: 7.864(D) HD11 :: 0.695(D) HD12 :: 0.695(D) HD13 :: 0.695(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.899(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.82 M 0.08 C 0.04 L 0.03 C Shift Assignments>> C :: 179.770 CA :: 53.513(D) CB :: 20.079(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.329(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.507(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.160 CA :: 63.005(D) CB :: 70.612(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 :: 8.013(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 111.734(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 177.275 CA :: 63.154(D) CB :: 33.424(D) CG1 :: 21.672(D) CG2 :: 22.438(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 :: 8.084(D) HG11 :: 1.008(D) HG12 :: 1.008(D) HG13 :: 1.008(D) HG21 :: 0.992(D) HG22 :: 0.992(D) HG23 :: 0.992(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 :: 120.412(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 173.448 CA :: 60.578(D) CB :: 70.176(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 :: 7.657(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.879(D) Ave N Shift Values>> N :: 115.42(4.75) 1.P60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> V 0.52 C 0.22 P 0.17 I 0.02 W 0.01 K 0.01 C Shift Assignments>> C :: 179.149 CA :: 62.921(D) CB :: 33.670(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.A61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.66 M 0.23 C 0.05 L 0.02 V 0.01 I 0.01 C Shift Assignments>> C :: 180.746 CA :: 54.732(D) CB :: 19.544(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.129(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.435(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.55 I 0.44 C Shift Assignments>> C :: 177.902 CA :: 63.398(D) CB :: 39.034(D) CD1 :: 17.178(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 :: 7.741(D) HD11 :: 0.901(D) HD12 :: 0.901(D) HD13 :: 0.901(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.809(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 179.100 CA :: 65.424(D) CB :: 32.868(D) CG1 :: 20.774(D) CG2 :: 23.106(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 :: 7.806(D) HG11 :: 0.901(D) HG12 :: 0.901(D) HG13 :: 0.901(D) HG21 :: 1.124(D) HG22 :: 1.124(D) HG23 :: 1.124(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 :: 120.034(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.2 C 0.19 E 0.18 Q 0.15 K 0.15 I 0.05 M 0.04 V 0.01 C Shift Assignments>> C :: 178.442 CA :: 58.269(D) CB :: 29.577(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 :: 8.235(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 :: 119.304(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.7 M 0.18 C 0.05 L 0.03 V 0.01 C Shift Assignments>> C :: 181.601 CA :: 54.515(D) CB :: 19.682(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.010(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.547(D) Ave N Shift Values>> N :: 123.23(3.54) 1.C66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 D 0.2 L 0.2 K 0.11 C 0.11 N 0.04 I 0.03 C Shift Assignments>> C :: 176.360 CA :: 56.652(D) CB :: 40.718(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.211(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.758(D) Ave N Shift Values>> N :: 120.17(4.64) 1.T67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.158 CA :: 63.896(D) CB :: 70.550(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 :: 8.041(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 :: 112.577(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.29 K 0.27 M 0.24 W 0.06 V 0.06 E 0.04 Q 0.01 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> C :: 175.548 CA :: 57.529(D) CB :: 33.454(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 :: 8.195(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 :: 119.603(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.38 D 0.26 F 0.12 C 0.1 L 0.09 HN Overlap>> 1.Q4 1.Q4 C Shift Assignments>> C :: 174.572 CA :: 54.091(D) CB :: 39.345(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) 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 :: 117.692(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.24 K 0.21 Q 0.19 M 0.17 V 0.06 W 0.05 E 0.03 C Shift Assignments>> C :: 177.323 CA :: 57.987(D) CB :: 33.419(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 :: 8.583(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 :: 120.874(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.19 W 0.19 Q 0.18 C 0.17 K 0.14 M 0.06 I 0.02 C Shift Assignments>> C :: 176.023 CA :: 57.004(D) CB :: 29.826(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 :: 8.208(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.157(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.77 M 0.12 C 0.04 L 0.03 C Shift Assignments>> C :: 176.280 CA :: 54.003(D) CB :: 19.912(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.179(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.580(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.37 D 0.29 F 0.11 L 0.1 C 0.09 C Shift Assignments>> C :: 175.445 CA :: 53.971(D) CB :: 39.547(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 :: 8.203(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 :: 115.173(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 C 0.15 L 0.04 F 0.01 HN Overlap>> 1.V78 1.V78 C Shift Assignments>> C :: 175.885 CA :: 59.059(D) CB :: 46.785(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 :: 8.065(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 :: 118.781(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 K 0.21 Q 0.2 M 0.19 W 0.05 V 0.05 E 0.03 C Shift Assignments>> C :: 178.637 CA :: 57.582(D) CB :: 33.412(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 :: 9.888(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 :: 121.389(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.4 D 0.24 F 0.12 C 0.11 L 0.08 C Shift Assignments>> C :: 179.110 CA :: 54.169(D) CB :: 39.138(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 :: 8.171(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 :: 117.014(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 K 0.21 Q 0.21 M 0.19 W 0.05 V 0.04 E 0.03 HN Overlap>> 1.K10 1.K10 1.M89 1.M89 C Shift Assignments>> C :: 178.902 CA :: 57.465(D) CB :: 33.451(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 :: 8.144(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.738(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.66 C 0.33 HN Overlap>> 1.F74 1.F74 C Shift Assignments>> C :: 176.859 CA :: 63.231(D) CB :: 33.537(D) CG1 :: 20.809(D) CG2 :: 23.414(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 :: 7.967(D) HG11 :: 0.696(D) HG12 :: 0.696(D) HG13 :: 0.696(D) HG21 :: 0.054(D) HG22 :: 0.054(D) HG23 :: 0.054(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 :: 118.759(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 K 0.21 Q 0.21 M 0.19 W 0.05 V 0.05 E 0.02 C Shift Assignments>> C :: 178.758 CA :: 57.615(D) CB :: 33.537(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 :: 8.319(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.160(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G80 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 :: 176.689 CA :: 46.211(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.214(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.644(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.18 E 0.18 W 0.18 C 0.16 M 0.05 I 0.02 L 0.01 C Shift Assignments>> C :: 178.116 CA :: 56.939(D) CB :: 29.364(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 :: 8.063(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 :: 117.747(D) Ave N Shift Values>> N :: 120.67(3.48) 1.W82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.21 C 0.2 E 0.19 Q 0.14 K 0.11 M 0.05 I 0.03 V 0.02 HN Overlap>> 1.L22 1.L22 C Shift Assignments>> C :: 177.884 CA :: 58.221(D) CB :: 29.979(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 :: 8.085(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 :: 119.224(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.44 D 0.21 F 0.12 C 0.11 L 0.07 HN Overlap>> 1.E26 1.E26 C Shift Assignments>> C :: 177.002 CA :: 54.060(D) CB :: 38.943(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 :: 8.114(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 :: 117.924(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.23 Q 0.21 K 0.21 M 0.19 W 0.05 V 0.04 E 0.02 C Shift Assignments>> C :: 177.762 CA :: 57.417(D) CB :: 33.532(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 :: 7.918(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.068(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.78 C 0.21 HN Overlap>> 1.L22 1.L22 C Shift Assignments>> C :: 177.009 CA :: 62.122(D) CB :: 39.261(D) CD1 :: 13.014(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 :: 7.883(D) HD11 :: 0.459(D) HD12 :: 0.459(D) HD13 :: 0.459(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 :: 119.192(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.23 C 0.23 K 0.2 M 0.2 W 0.04 V 0.03 E 0.03 C Shift Assignments>> C :: 176.783 CA :: 57.284(D) CB :: 33.762(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 :: 8.258(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.667(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.23 C 0.22 K 0.21 M 0.2 W 0.04 V 0.03 E 0.03 C Shift Assignments>> C :: 176.235 CA :: 57.186(D) CB :: 33.734(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.189(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 :: 120.296(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.44 D 0.22 F 0.12 C 0.11 L 0.07 C Shift Assignments>> C :: 174.466 CA :: 54.030(D) CB :: 38.989(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 :: 8.422(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 :: 118.149(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.21 W 0.18 E 0.18 C 0.16 K 0.15 M 0.08 I 0.01 HN Overlap>> 1.K77 1.K77 C Shift Assignments>> C :: 178.916 CA :: 55.829(D) CB :: 29.770(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 :: 8.212(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 :: 119.813(D) Ave N Shift Values>> N :: 120.09(3.57) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 89 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 89 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 89 #Suspicious: 0 C Shift Results: #Consistent: 89 #Duplicate: 200 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 159 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 84 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A1 CA = 52.711(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.2847e-01 1.A1 CB = 20.085(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.5691e-01 1.D2 CA = 53.989(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.2985e-01 1.D2 CB = 39.341(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.4211e-01 1.D2 H = 8.782(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.1576e-01 1.D2 N = 117.146(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.6400e-01 1.A3 CA = 53.816(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.3279e-01 1.A3 CB = 19.886(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.3216e-01 1.A3 H = 8.492(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.2649e-01 1.A3 N = 123.593(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.1833e-01 1.Q4 CA = 57.150(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.8637e-01 1.Q4 CB = 30.079(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.2522e-01 1.Q4 H = 8.310(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.7876e-01 1.Q4 N = 117.698(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.4260e-01 1.K5 CA = 56.824(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.5433e-01 1.K5 CB = 33.676(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.1866e-01 1.K5 H = 8.256(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.1241e-01 1.K5 N = 120.827(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.5283e-01 1.A6 CA = 53.400(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.9553e-01 1.A6 CB = 19.988(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.9305e-01 1.A6 H = 8.278(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.9657e-01 1.A6 N = 123.453(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4977e-01 1.A7 CA = 53.676(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.8662e-01 1.A7 CB = 19.941(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.1093e-01 1.A7 H = 8.265(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.1373e-01 1.A7 N = 121.290(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.8368e-01 1.D8 CA = 53.676(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.1742e-01 1.D8 CB = 39.349(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.4463e-01 1.D8 H = 8.344(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.5325e-01 1.D8 N = 116.053(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.3368e-01 1.N9 CA = 53.934(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.3400e-01 1.N9 CB = 39.418(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.6664e-01 1.N9 H = 8.295(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.4306e-01 1.N9 N = 117.540(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.3016e-01 1.K10 CA = 56.945(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.9819e-01 1.K10 CB = 33.792(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.7349e-01 1.K10 H = 8.109(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.9261e-01 1.K10 N = 119.669(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.1413e-01 1.K11 CA = 55.057(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.8954e-01 1.K11 CB = 33.263(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.9045e-01 1.K11 H = 8.258(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0977e-01 1.K11 N = 122.099(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.8082e-01 1.P12 CA = 63.882(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.1649e-01 1.P12 CB = 33.343(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.0578e-01 1.V13 CA = 63.321(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.7139e-01 1.V13 CB = 29.943(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.1947e-01 1.V13 CG1 = 20.351(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.0231e-01 1.V13 CG2 = 23.752(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.1017e-01 1.V13 H = 8.218(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.1442e-01 1.V13 HG11 = 0.547(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.7639e-01 1.V13 HG12 = 0.547(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.7639e-01 1.V13 HG13 = 0.547(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.7639e-01 1.V13 HG21 = 0.188(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.8837e-02 1.V13 HG22 = 0.188(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.8837e-02 1.V13 HG23 = 0.188(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.8837e-02 1.V13 N = 118.455(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.5425e-01 1.N14 CA = 54.097(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.6702e-01 1.N14 CB = 39.875(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.8319e-01 1.N14 H = 8.401(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.2287e-01 1.N14 N = 119.922(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.0556e-01 1.S15 CA = 59.210(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.1288e-01 1.S15 CB = 64.493(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.3961e-01 1.S15 H = 8.193(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.8277e-01 1.S15 N = 114.331(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.7979e-01 1.W16 CA = 58.247(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.2002e-01 1.W16 CB = 30.841(D), Expected = 30.01, Std = 2.0100, ChiSquare = 6.7929e-01 1.W16 H = 8.128(D), Expected = 8.29, Std = 0.7900, ChiSquare = 8.3752e-01 1.W16 N = 120.909(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.5366e-01 1.T17 CA = 62.288(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.7905e-01 1.T17 CB = 71.362(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.1672e-01 1.T17 H = 7.929(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.1594e-01 1.T17 N = 112.963(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.0497e-01 1.C18 CA = 57.490(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.0782e-01 1.C18 CB = 40.243(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.9704e-01 1.C18 H = 8.532(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.3215e-01 1.C18 N = 117.594(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.7878e-01 1.E19 CA = 58.399(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.0567e-01 1.E19 CB = 29.109(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.0039e-01 1.E19 H = 8.406(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.9751e-01 1.E19 N = 116.641(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.4696e-01 1.D20 CA = 54.763(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.7131e-01 1.D20 CB = 38.671(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.7270e-01 1.D20 H = 8.073(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.8282e-01 1.D20 N = 116.417(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.7280e-01 1.F21 CA = 59.714(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.2491e-01 1.F21 CB = 40.135(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.4469e-01 1.F21 H = 7.862(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.8915e-01 1.F21 N = 117.252(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.4423e-01 1.L22 CA = 56.645(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.3036e-01 1.L22 CB = 42.816(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.8781e-01 1.L22 CD1 = 22.268(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.2304e-01 1.L22 CD2 = 25.575(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.6969e-01 1.L22 H = 7.975(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9483e-01 1.L22 HD11 = 0.863(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8653e-01 1.L22 HD12 = 0.863(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8653e-01 1.L22 HD13 = 0.863(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8653e-01 1.L22 HD21 = 0.750(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.4502e-01 1.L22 HD22 = 0.750(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.4502e-01 1.L22 HD23 = 0.750(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.4502e-01 1.L22 N = 119.244(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.0237e-01 1.A23 CA = 53.964(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.7729e-01 1.A23 CB = 19.756(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.8353e-01 1.A23 H = 7.923(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.4432e-01 1.A23 N = 120.898(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.1005e-01 1.V24 CA = 63.584(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.0208e-01 1.V24 CB = 33.377(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.1776e-01 1.V24 CG1 = 21.715(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.6860e-01 1.V24 CG2 = 23.723(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.1437e-01 1.V24 H = 7.766(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.3416e-01 1.V24 HG11 = 1.087(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.2293e-01 1.V24 HG12 = 1.087(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.2293e-01 1.V24 HG13 = 1.087(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.2293e-01 1.V24 HG21 = 1.044(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.8352e-01 1.V24 HG22 = 1.044(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.8352e-01 1.V24 HG23 = 1.044(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.8352e-01 1.V24 N = 114.851(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.6598e-01 1.D25 CA = 54.108(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.7434e-01 1.D25 CB = 38.891(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.1953e-01 1.D25 H = 8.283(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.6287e-01 1.D25 N = 118.574(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.9070e-01 1.E26 CA = 56.953(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.6061e-01 1.E26 CB = 29.434(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.3771e-01 1.E26 H = 8.140(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.4743e-01 1.E26 N = 117.864(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.2006e-01 1.S27 CA = 59.353(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.5976e-01 1.S27 CB = 64.462(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.5466e-01 1.S27 H = 8.049(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.9541e-01 1.S27 N = 113.451(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.2157e-01 1.F28 CA = 58.796(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.8055e-01 1.F28 CB = 40.319(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.7492e-01 1.F28 H = 8.022(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.3875e-01 1.F28 N = 119.502(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.2058e-01 1.Q29 CA = 54.108(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.4995e-01 1.Q29 CB = 30.013(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.5113e-01 1.Q29 H = 8.088(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.2297e-01 1.Q29 N = 120.934(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.7182e-01 1.P30 CA = 64.216(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.5996e-01 1.P30 CB = 32.650(D), Expected = 31.85, Std = 1.1800, ChiSquare = 4.9779e-01 1.T31 CA = 62.584(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.8823e-01 1.T31 CB = 70.713(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.4646e-01 1.T31 H = 8.034(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.3969e-01 1.T31 N = 111.183(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.7239e-01 1.A32 CA = 53.565(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.3004e-01 1.A32 CB = 20.067(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.6354e-01 1.A32 H = 8.225(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6676e-01 1.A32 N = 123.989(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.3023e-01 1.V33 CA = 63.656(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.8350e-01 1.V33 CB = 33.328(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.3832e-01 1.V33 CG1 = 24.530(D), Expected = 21.49, Std = 1.3600, ChiSquare = 2.5398e-02 1.V33 CG2 = 21.390(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.3359e-01 1.V33 H = 8.016(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.8257e-01 1.V33 HG11 = 1.303(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.8876e-02 1.V33 HG12 = 1.303(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.8876e-02 1.V33 HG13 = 1.303(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.8876e-02 1.V33 HG21 = 0.914(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8390e-01 1.V33 HG22 = 0.914(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8390e-01 1.V33 HG23 = 0.914(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8390e-01 1.V33 N = 116.838(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.4334e-01 1.G34 CA = 46.268(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.9330e-01 1.G34 H = 8.287(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4726e-01 1.G34 N = 109.564(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.7815e-01 1.F35 CA = 59.478(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.8646e-01 1.F35 CB = 42.831(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.7404e-01 1.F35 H = 8.026(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.4273e-01 1.F35 N = 118.440(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.3061e-01 1.A36 CA = 53.944(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.8470e-01 1.A36 CB = 19.764(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.8032e-01 1.A36 H = 8.173(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.6411e-01 1.A36 N = 122.386(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.1156e-01 1.E37 CA = 57.097(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.1503e-01 1.E37 CB = 29.396(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.2111e-01 1.E37 H = 8.058(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4479e-01 1.E37 N = 116.605(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.4276e-01 1.A38 CA = 53.809(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.3545e-01 1.A38 CB = 19.951(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.0711e-01 1.A38 H = 8.115(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8734e-01 1.A38 N = 122.128(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.5557e-01 1.L39 CA = 56.436(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.0165e-01 1.L39 CB = 42.817(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.8741e-01 1.L39 CD1 = 25.243(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.4221e-01 1.L39 CD2 = 23.613(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.9713e-01 1.L39 H = 8.027(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.5481e-01 1.L39 HD11 = 0.628(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6304e-01 1.L39 HD12 = 0.628(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6304e-01 1.L39 HD13 = 0.628(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6304e-01 1.L39 HD21 = 0.519(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.6687e-01 1.L39 HD22 = 0.519(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.6687e-01 1.L39 HD23 = 0.519(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.6687e-01 1.L39 N = 118.353(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.6853e-01 1.N40 CA = 54.226(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.1519e-01 1.N40 CB = 39.568(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.0339e-01 1.N40 H = 8.194(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.1674e-01 1.N40 N = 116.157(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.9140e-01 1.N41 CA = 54.507(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.0700e-01 1.N41 CB = 39.489(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.3637e-01 1.N41 H = 8.215(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.4272e-01 1.N41 N = 116.843(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.0455e-01 1.K42 CA = 57.591(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.7077e-01 1.K42 CB = 33.010(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.0164e-01 1.K42 H = 8.189(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.9867e-01 1.K42 N = 118.538(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.0521e-01 1.D43 CA = 53.856(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.8119e-01 1.D43 CB = 38.951(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.3376e-01 1.D43 H = 8.255(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.2445e-01 1.D43 N = 116.163(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.4506e-01 1.K44 CA = 55.230(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.3432e-01 1.K44 CB = 33.183(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.2526e-01 1.K44 H = 7.977(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.2259e-01 1.K44 N = 119.801(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.4042e-01 1.P45 CA = 64.201(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.6663e-01 1.P45 CB = 32.843(D), Expected = 31.85, Std = 1.1800, ChiSquare = 4.0005e-01 1.E46 CA = 57.104(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.1769e-01 1.E46 CB = 29.343(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.9817e-01 1.E46 H = 8.421(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.7742e-01 1.E46 N = 117.938(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.3242e-01 1.D47 CA = 57.039(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.4721e-01 1.D47 CB = 39.187(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.9599e-01 1.D47 H = 8.340(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.5875e-01 1.D47 N = 117.084(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.5557e-01 1.A48 CA = 53.748(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.5879e-01 1.A48 CB = 19.951(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.0711e-01 1.A48 H = 8.102(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7026e-01 1.A48 N = 121.965(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.2083e-01 1.V49 CA = 63.312(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.7380e-01 1.V49 CB = 33.352(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.2823e-01 1.V49 CG1 = 21.274(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.7381e-01 1.V49 CG2 = 20.359(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.6356e-01 1.V49 H = 7.913(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.7365e-01 1.V49 HG11 = 0.777(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.3847e-01 1.V49 HG12 = 0.777(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.3847e-01 1.V49 HG13 = 0.777(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.3847e-01 1.V49 HG21 = 0.863(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.2198e-01 1.V49 HG22 = 0.863(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.2198e-01 1.V49 HG23 = 0.863(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.2198e-01 1.V49 N = 116.556(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.1264e-01 1.L50 CA = 56.041(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.4332e-01 1.L50 CB = 43.172(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.4659e-01 1.L50 CD1 = 23.088(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.0470e-01 1.L50 CD2 = 26.520(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.4624e-01 1.L50 H = 8.111(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.5474e-01 1.L50 HD11 = 0.236(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6400e-02 1.L50 HD12 = 0.236(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6400e-02 1.L50 HD13 = 0.236(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6400e-02 1.L50 HD21 = 0.583(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.1223e-01 1.L50 HD22 = 0.583(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.1223e-01 1.L50 HD23 = 0.583(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.1223e-01 1.L50 N = 122.481(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.7349e-01 1.D51 CA = 53.814(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.6608e-01 1.D51 CB = 38.945(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.3230e-01 1.D51 H = 8.347(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.4914e-01 1.D51 N = 117.888(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.7427e-01 1.V52 CA = 63.326(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.7005e-01 1.V52 CB = 33.376(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.1818e-01 1.V52 CG1 = 21.260(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.6570e-01 1.V52 CG2 = 21.292(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.8363e-01 1.V52 H = 8.022(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.8916e-01 1.V52 HG11 = 0.472(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6854e-01 1.V52 HG12 = 0.472(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6854e-01 1.V52 HG13 = 0.472(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6854e-01 1.V52 HG21 = 0.877(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8332e-01 1.V52 HG22 = 0.877(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8332e-01 1.V52 HG23 = 0.877(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8332e-01 1.V52 N = 118.302(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.3190e-01 1.Q53 CA = 57.060(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.1889e-01 1.Q53 CB = 29.966(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.6984e-01 1.Q53 H = 8.368(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.0193e-01 1.Q53 N = 120.936(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.7139e-01 1.G54 CA = 46.324(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.6731e-01 1.G54 H = 8.273(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.3012e-01 1.G54 N = 107.515(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.7763e-01 1.I55 CA = 61.874(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.2153e-01 1.I55 CB = 39.613(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.2652e-01 1.I55 CD1 = 13.485(D), Expected = 13.43, Std = 1.6700, ChiSquare = 9.7373e-01 1.I55 H = 7.864(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.4069e-01 1.I55 HD11 = 0.695(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.5875e-01 1.I55 HD12 = 0.695(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.5875e-01 1.I55 HD13 = 0.695(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.5875e-01 1.I55 N = 117.899(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.0540e-01 1.A56 CA = 53.513(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5058e-01 1.A56 CB = 20.079(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.5912e-01 1.A56 H = 8.329(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.2977e-01 1.A56 N = 125.507(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.2008e-01 1.T57 CA = 63.005(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.6182e-01 1.T57 CB = 70.612(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.8844e-01 1.T57 H = 8.013(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.1427e-01 1.T57 N = 111.734(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.3775e-01 1.V58 CA = 63.154(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.1641e-01 1.V58 CB = 33.424(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.9823e-01 1.V58 CG1 = 21.672(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.9354e-01 1.V58 CG2 = 22.438(D), Expected = 21.26, Std = 1.5600, ChiSquare = 4.5017e-01 1.V58 H = 8.084(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.5849e-01 1.V58 HG11 = 1.008(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.9359e-01 1.V58 HG12 = 1.008(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.9359e-01 1.V58 HG13 = 1.008(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.9359e-01 1.V58 HG21 = 0.992(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9289e-01 1.V58 HG22 = 0.992(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9289e-01 1.V58 HG23 = 0.992(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9289e-01 1.V58 N = 120.412(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7260e-01 1.T59 CA = 60.578(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.2610e-01 1.T59 CB = 70.176(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.8438e-01 1.T59 H = 7.657(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.4705e-01 1.T59 N = 116.879(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.5872e-01 1.P60 CA = 62.921(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.8787e-01 1.P60 CB = 33.670(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.2298e-01 1.A61 CA = 54.732(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.2137e-01 1.A61 CB = 19.544(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.7044e-01 1.A61 H = 8.129(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.0580e-01 1.A61 N = 119.435(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.8370e-01 1.I62 CA = 63.398(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.0467e-01 1.I62 CB = 39.034(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.4148e-01 1.I62 CD1 = 17.178(D), Expected = 13.43, Std = 1.6700, ChiSquare = 2.4812e-02 1.I62 H = 7.741(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.2798e-01 1.I62 HD11 = 0.901(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4602e-01 1.I62 HD12 = 0.901(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4602e-01 1.I62 HD13 = 0.901(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4602e-01 1.I62 N = 117.809(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.9364e-01 1.V63 CA = 65.424(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.0495e-01 1.V63 CB = 32.868(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.3855e-01 1.V63 CG1 = 20.774(D), Expected = 21.49, Std = 1.3600, ChiSquare = 5.9856e-01 1.V63 CG2 = 23.106(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.3668e-01 1.V63 H = 7.806(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.7006e-01 1.V63 HG11 = 0.901(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.8479e-01 1.V63 HG12 = 0.901(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.8479e-01 1.V63 HG13 = 0.901(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.8479e-01 1.V63 HG21 = 1.124(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.4721e-01 1.V63 HG22 = 1.124(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.4721e-01 1.V63 HG23 = 1.124(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.4721e-01 1.V63 N = 120.034(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0753e-01 1.Q64 CA = 58.269(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.2724e-01 1.Q64 CB = 29.577(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.3161e-01 1.Q64 H = 8.235(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.7972e-01 1.Q64 N = 119.304(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.7069e-01 1.A65 CA = 54.515(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.8740e-01 1.A65 CB = 19.682(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.1346e-01 1.A65 H = 8.010(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.5150e-01 1.A65 N = 120.547(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.4851e-01 1.C66 CA = 56.652(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.2067e-01 1.C66 CB = 40.718(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.7098e-01 1.C66 H = 8.211(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.8934e-01 1.C66 N = 113.758(D), Expected = 120.17, Std = 4.6400, ChiSquare = 1.6700e-01 1.T67 CA = 63.896(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.1756e-01 1.T67 CB = 70.550(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.1492e-01 1.T67 H = 8.041(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.4823e-01 1.T67 N = 112.577(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.4949e-01 1.Q68 CA = 57.529(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.5406e-01 1.Q68 CB = 33.454(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.9137e-02 1.Q68 H = 8.195(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.6620e-01 1.Q68 N = 119.603(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3646e-01 1.D69 CA = 54.091(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.6794e-01 1.D69 CB = 39.345(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.4337e-01 1.D69 H = 8.229(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.8893e-01 1.D69 N = 117.692(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.4349e-01 1.K70 CA = 57.987(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.3738e-01 1.K70 CB = 33.419(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.2381e-01 1.K70 H = 8.583(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.1247e-01 1.K70 N = 120.874(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.6277e-01 1.Q71 CA = 57.004(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.3929e-01 1.Q71 CB = 29.826(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.2675e-01 1.Q71 H = 8.208(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.8377e-01 1.Q71 N = 118.157(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.3024e-01 1.A72 CA = 54.003(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.6294e-01 1.A72 CB = 19.912(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.2209e-01 1.A72 H = 8.179(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.7208e-01 1.A72 N = 122.580(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5431e-01 1.N73 CA = 53.971(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.1867e-01 1.N73 CB = 39.547(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.1208e-01 1.N73 H = 8.203(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.2785e-01 1.N73 N = 115.173(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.5120e-01 1.F74 CA = 59.059(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.0325e-01 1.F74 CB = 46.785(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.1492e-03 1.F74 H = 8.065(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.8201e-01 1.F74 N = 118.781(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.8968e-01 1.K75 CA = 57.582(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.7390e-01 1.K75 CB = 33.412(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.2676e-01 1.K75 H = 9.888(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.6548e-03 1.K75 N = 121.389(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.2835e-01 1.D76 CA = 54.169(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.9745e-01 1.D76 CB = 39.138(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.8224e-01 1.D76 H = 8.171(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.1060e-01 1.D76 N = 117.014(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.4621e-01 1.K77 CA = 57.465(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.1491e-01 1.K77 CB = 33.451(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.1038e-01 1.K77 H = 8.144(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.3889e-01 1.K77 N = 119.738(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.2783e-01 1.V78 CA = 63.231(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.9556e-01 1.V78 CB = 33.537(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.5211e-01 1.V78 CG1 = 20.809(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.1656e-01 1.V78 CG2 = 23.414(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.6735e-01 1.V78 H = 7.967(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.2974e-01 1.V78 HG11 = 0.696(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0628e-01 1.V78 HG12 = 0.696(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0628e-01 1.V78 HG13 = 0.696(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0628e-01 1.V78 HG21 = 0.054(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.7152e-03 1.V78 HG22 = 0.054(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.7152e-03 1.V78 HG23 = 0.054(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.7152e-03 1.V78 N = 118.759(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.9997e-01 1.K79 CA = 57.615(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.6244e-01 1.K79 CB = 33.537(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.7473e-01 1.K79 H = 8.319(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.2977e-01 1.K79 N = 123.160(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.7570e-01 1.G80 CA = 46.211(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.2052e-01 1.G80 H = 8.214(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.5836e-01 1.G80 N = 107.644(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.0062e-01 1.E81 CA = 56.939(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.5535e-01 1.E81 CB = 29.364(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.0723e-01 1.E81 H = 8.063(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5088e-01 1.E81 N = 117.747(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.0094e-01 1.W82 CA = 58.221(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.2786e-01 1.W82 CB = 29.979(D), Expected = 30.01, Std = 2.0100, ChiSquare = 9.8769e-01 1.W82 H = 8.085(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.9525e-01 1.W82 N = 119.224(D), Expected = 121.68, Std = 4.1800, ChiSquare = 5.5683e-01 1.D83 CA = 54.060(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.5630e-01 1.D83 CB = 38.943(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.3182e-01 1.D83 H = 8.114(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.3541e-01 1.D83 N = 117.924(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.8005e-01 1.K84 CA = 57.417(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.3189e-01 1.K84 CB = 33.532(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.7678e-01 1.K84 H = 7.918(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.5031e-01 1.K84 N = 119.068(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.9908e-01 1.I85 CA = 62.122(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.4849e-01 1.I85 CB = 39.261(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.5475e-01 1.I85 CD1 = 13.014(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.0328e-01 1.I85 H = 7.883(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.5934e-01 1.I85 HD11 = 0.459(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4602e-01 1.I85 HD12 = 0.459(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4602e-01 1.I85 HD13 = 0.459(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4602e-01 1.I85 N = 119.192(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.9618e-01 1.K86 CA = 57.284(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.7933e-01 1.K86 CB = 33.762(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.8502e-01 1.K86 H = 8.258(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.0977e-01 1.K86 N = 123.667(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.8758e-01 1.K87 CA = 57.186(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.1457e-01 1.K87 CB = 33.734(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.9588e-01 1.K87 H = 8.189(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.9867e-01 1.K87 N = 120.296(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.4148e-01 1.D88 CA = 54.030(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.4509e-01 1.D88 CB = 38.989(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.4310e-01 1.D88 H = 8.422(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.4688e-01 1.D88 N = 118.149(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.1703e-01 1.M89 CA = 55.829(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.9973e-01 1.M89 CB = 29.770(D), Expected = 32.99, Std = 2.2400, ChiSquare = 1.5058e-01 1.M89 H = 8.212(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.3624e-01 1.M89 N = 119.813(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.3815e-01