Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.22 K 0.19 C 0.16 Q 0.16 R 0.09 H 0.09 E 0.04 V 0.01 C Shift Assignments>> CA :: 55.789000 CB :: 32.936000 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>> HA :: 4.546000 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) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.H32 1.H32 C Shift Assignments>> CA :: 58.376000 CB :: 63.814000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.493000 HA :: 4.478000 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 :: 117.559000 Ave N Shift Values>> N :: 116.28(3.52) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T21 1.T21 C Shift Assignments>> CA :: 58.432000 CB :: 63.816000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.430000 HA :: 4.452000 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 :: 118.151000 Ave N Shift Values>> N :: 116.28(3.52) 1.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.H9 1.N99 1.H9 1.N99 C Shift Assignments>> CA :: 58.415000 CB :: 63.787000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.381000 HA :: 4.444000 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 :: 117.946000 Ave N Shift Values>> N :: 116.28(3.52) 1.A5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> A 0.84 M 0.12 C 0.01 C Shift Assignments>> C :: 178.274000 CA :: 52.895000 CB :: 19.127000(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.297000 HA :: 4.306000(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.979000 Ave N Shift Values>> N :: 123.23(3.54) 1.G6 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 :: 174.410000(D) CA :: 45.308000(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.359000(D) HA2 :: 3.970000(D) HA3 :: 3.970000(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.157000(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.170000(D) CA :: 58.565000 CB :: 63.898000(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.289000(D) HA :: 4.409000(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.738000(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G8 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 R 0.01 C Shift Assignments>> C :: 174.927000 CA :: 45.376000(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.509000(D) HA2 :: 3.906000(D) HA3 :: 3.906000(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.709000(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 K 0.17 H 0.17 C 0.13 R 0.12 E 0.11 M 0.04 L 0.03 HN Overlap>> 1.N99 1.S4 1.N99 1.S4 C Shift Assignments>> C :: 175.175000 CA :: 55.043000(D) CB :: 29.015000(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 :: 8.332000(D) HA :: 4.679000(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 :: 117.926000(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.19 H 0.17 K 0.16 C 0.14 R 0.11 E 0.08 L 0.05 M 0.04 C Shift Assignments>> CA :: 53.889000(D) CB :: 28.832000(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 :: 8.521000(D) HA :: 4.596000 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 :: 123.083000(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.42 V 0.39 C 0.14 I 0.01 C Shift Assignments>> CA :: 63.255000 CB :: 32.137000(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 :: 4.369000(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.S12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.521000(D) CB :: 63.721000(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.532000(D) HA :: 4.363000(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 :: 116.270000(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Consistent PRTL>> Q 0.17 H 0.17 K 0.14 R 0.14 E 0.14 C 0.12 M 0.05 I 0.01 HN Overlap>> 1.D119 1.D119 C Shift Assignments>> C :: 176.042000 CA :: 55.807000 CB :: 29.524000 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 :: 8.460000 HA :: 4.381000(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 :: 122.313000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.423000 CB :: 63.764000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.352000(D) HA :: 4.389000 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 :: 117.086000(D) Ave N Shift Values>> N :: 116.28(3.52) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 H 0.17 C 0.14 M 0.13 E 0.13 Q 0.11 K 0.1 HN Overlap>> 1.K92 1.K92 C Shift Assignments>> CA :: 55.779000 CB :: 30.950000 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 :: 8.330000 HA :: 4.322000 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 :: 123.213000 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.A16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.44 V 0.39 C 0.13 I 0.01 C Shift Assignments>> CA :: 63.485000(D) CB :: 32.038000(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 :: 4.969000(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.T19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.088000(D) CA :: 60.563000(D) CB :: 72.210000(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 :: 8.131000(D) HA :: 5.378000(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.234000(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 Q 0.2 K 0.18 C 0.17 R 0.07 H 0.07 E 0.02 V 0.01 C Shift Assignments>> C :: 174.237000(D) CA :: 55.288000(D) CB :: 33.317000(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 :: 8.772000(D) HA :: 4.565000(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 :: 123.615000(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.T21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.S3 1.S3 C Shift Assignments>> C :: 174.486000(D) CA :: 61.697000(D) CB :: 70.091000(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 :: 8.522000(D) HA :: 5.071000(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 :: 118.122000(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 V 0.27 I 0.07 K 0.06 E 0.05 Q 0.05 M 0.04 Y 0.02 P 0.01 R 0.01 F 0.01 C Shift Assignments>> C :: 174.208000(D) CA :: 60.956000(D) CB :: 34.572000(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 :: 8.888000(D) HA :: 4.222000(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 :: 127.377000(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 M 0.05 C 0.01 C Shift Assignments>> C :: 177.319000(D) CA :: 51.464000(D) CB :: 19.269000(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.657000(D) HA :: 4.888000(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.838000(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 Y 0.29 I 0.18 C 0.15 L 0.03 D 0.02 HN Overlap>> 1.Q69 1.N97 1.Q69 1.N97 C Shift Assignments>> C :: 175.286000(D) CA :: 59.244000(D) CB :: 39.828000(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.373000(D) HA :: 4.526000 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 :: 119.637000(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.624000(D) CA :: 58.546000(D) CB :: 64.197000(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.894000(D) HA :: 4.559000(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 :: 118.173000(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.38 L 0.31 R 0.14 D 0.07 C 0.04 F 0.02 Y 0.01 HN Overlap>> 1.L59 1.L59 C Shift Assignments>> C :: 175.373000(D) CA :: 53.568000(D) CB :: 44.310000(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 :: 7.626000(D) HA :: 4.390000(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 :: 121.200000(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.51 M 0.43 C 0.02 I 0.01 C Shift Assignments>> C :: 178.559000(D) CA :: 54.527000(D) CB :: 18.213000(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.576000(D) HA :: 3.646000(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.144000(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.71 M 0.25 C 0.01 C Shift Assignments>> C :: 178.262000(D) CA :: 53.581000(D) CB :: 18.527000(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.706000(D) HA :: 4.147000(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.737000(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.17 H 0.17 R 0.14 K 0.14 E 0.14 C 0.12 M 0.06 C Shift Assignments>> C :: 176.309000(D) CA :: 55.669000(D) CB :: 29.542000(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 :: 7.763000(D) HA :: 4.148000(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.697000(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 L 0.21 N 0.15 K 0.08 F 0.05 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> CA :: 52.831000(D) CB :: 41.346000(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 :: 7.372000(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 :: 121.539000(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.38 P 0.32 C 0.2 K 0.02 R 0.01 I 0.01 H 0.01 E 0.01 C Shift Assignments>> CA :: 62.290000(D) CB :: 32.082000(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 :: 4.502000(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.H32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.18 C 0.17 R 0.15 H 0.15 Q 0.13 K 0.08 M 0.06 I 0.02 V 0.02 HN Overlap>> 1.S2 1.S2 C Shift Assignments>> C :: 175.540000(D) CA :: 57.993000(D) CB :: 30.197000(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 :: 8.470000(D) HA :: 4.360000(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 :: 117.609000(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.41 D 0.3 L 0.09 C 0.06 F 0.06 Y 0.05 C Shift Assignments>> C :: 175.284000(D) CA :: 52.558000(D) CB :: 39.936000(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 :: 8.017000(D) HA :: 4.491000(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 :: 116.910000(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 C 0.21 F 0.2 E 0.1 I 0.09 N 0.03 D 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 173.767000(D) CA :: 57.416000(D) CB :: 37.926000(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.177000(D) HA :: 4.538000(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.053000(D) Ave N Shift Values>> N :: 120.52(4.2) 1.C35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.17 C 0.16 H 0.16 E 0.15 M 0.11 Q 0.1 K 0.1 V 0.01 C Shift Assignments>> C :: 172.538000(D) CA :: 57.180000(D) CB :: 30.968000(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.083000(D) HA :: 4.468000(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 :: 120.507000(D) Ave N Shift Values>> N :: 120.17(4.64) 1.T36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.025000(D) CA :: 59.962000(D) CB :: 71.562000(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 :: 8.127000(D) HA :: 5.907000(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 :: 112.959000(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> CA :: 60.783000(D) CB :: 69.143000(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>> HA :: 5.059000(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) 1.P38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.68 P 0.2 C 0.09 I 0.01 C Shift Assignments>> CA :: 66.559000(D) CB :: 32.036000(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 :: 4.216000(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.G39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 175.879000(D) CA :: 45.580000(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 11.087000(S) HA2 :: 4.030000(D) HA3 :: 3.820000(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.551000(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 HN Overlap>> 1.G49 1.G49 C Shift Assignments>> C :: 174.511000(D) CA :: 44.625000(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.309000(D) HA2 :: 4.379000(D) HA3 :: 3.510000(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.931000(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.K107 1.T50 1.K107 1.T50 C Shift Assignments>> C :: 173.271000(D) CA :: 65.907000(D) CB :: 67.288000(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 :: 8.379000(D) HA :: 4.391000(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 :: 121.876000(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.38 L 0.31 R 0.13 D 0.06 C 0.04 F 0.02 Y 0.01 C Shift Assignments>> C :: 176.499000(D) CA :: 54.042000(D) CB :: 44.422000(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 :: 8.848000(D) HA :: 5.457000(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 :: 128.458000(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.33 L 0.28 D 0.08 F 0.07 K 0.06 C 0.05 G 0.04 Y 0.04 C Shift Assignments>> C :: 173.322000(D) CA :: 56.197000(D) CB :: 43.361000(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 :: 9.270000(D) HA :: 6.232000(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 :: 118.836000(D) Ave N Shift Values>> N :: 120.45(4.18) 1.S44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.653000(D) CA :: 57.470000(D) CB :: 65.532000(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.453000(D) HA :: 4.776000(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.201000(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.563000(D) CA :: 60.669000(D) CB :: 71.079000(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 :: 8.311000(D) HA :: 5.677000(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 :: 114.036000(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> CA :: 60.869000(D) CB :: 69.008000(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>> HA :: 4.901000 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.P47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.68 P 0.2 C 0.09 I 0.01 C Shift Assignments>> CA :: 66.562000(D) CB :: 32.036000(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 :: 4.244000(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.G48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 175.879000(D) CA :: 45.543000(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 11.182000(S) HA2 :: 4.030000(D) HA3 :: 3.820000(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.652000(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.58 L 0.21 R 0.09 C 0.04 F 0.02 D 0.02 Y 0.01 HN Overlap>> 1.G40 1.G40 C Shift Assignments>> C :: 174.304000(D) CA :: 44.625000(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.309000(D) HA2 :: 4.379000(D) HA3 :: 3.510000(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.931000(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 0.99 HN Overlap>> 1.K107 1.K107 1.T41 1.T41 C Shift Assignments>> C :: 173.132000(D) CA :: 65.907000(D) CB :: 67.288000(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 :: 8.369000(D) HA :: 4.191000(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 :: 121.777000(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.19 R 0.16 H 0.15 C 0.15 K 0.13 E 0.09 Q 0.08 C Shift Assignments>> C :: 174.261000(D) CA :: 55.618000(D) CB :: 31.589000(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 :: 8.512000(D) HA :: 4.948000(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 :: 126.854000(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.I52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.22 C 0.2 I 0.19 E 0.04 D 0.01 C Shift Assignments>> C :: 175.045000(D) CA :: 58.936000(D) CB :: 38.273000(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 :: 9.143000(D) HA :: 4.511000(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 :: 128.344000(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.25 I 0.21 C 0.18 E 0.01 L 0.01 D 0.01 C Shift Assignments>> C :: 175.508000(D) CA :: 59.192000(D) CB :: 38.755000(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.586000(D) HA :: 4.525000(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 :: 125.289000(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.25 C 0.17 I 0.08 D 0.06 N 0.05 L 0.04 E 0.02 M 0.01 C Shift Assignments>> C :: 175.037000(D) CA :: 57.161000(D) CB :: 38.752000(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 :: 8.124000(D) HA :: 4.962000(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.829000(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.26 K 0.12 N 0.07 R 0.06 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> C :: 176.355000(D) CA :: 53.219000(D) CB :: 41.951000(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 :: 8.753000(D) HA :: 4.677000(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 :: 125.342000(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 R 0.16 Q 0.16 E 0.15 C 0.13 K 0.1 M 0.07 C Shift Assignments>> C :: 176.288000(D) CA :: 56.263000(D) CB :: 29.995000(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 :: 8.442000(D) HA :: 4.265000(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.512000(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.K57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.18 C 0.17 K 0.17 R 0.14 H 0.13 E 0.09 Q 0.05 V 0.02 C Shift Assignments>> C :: 176.713000(D) CA :: 56.948000(D) CB :: 32.037000(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 :: 8.545000(D) HA :: 4.137000(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 :: 124.317000(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.25 C 0.17 D 0.07 I 0.07 N 0.05 L 0.04 E 0.02 C Shift Assignments>> C :: 175.529000(D) CA :: 57.024000(D) CB :: 38.828000(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 :: 7.682000(D) HA :: 4.592000(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 :: 116.172000(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 K 0.19 D 0.18 R 0.12 F 0.08 Y 0.05 C 0.04 N 0.02 HN Overlap>> 1.D26 1.D26 C Shift Assignments>> C :: 177.251000(D) CA :: 55.293000(D) CB :: 42.211000(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 :: 7.721000(D) HA :: 4.228000(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 :: 121.190000(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 K 0.18 D 0.18 R 0.14 F 0.08 Y 0.05 C 0.04 N 0.01 C Shift Assignments>> C :: 177.057000(D) CA :: 55.261000(D) CB :: 42.303000(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 :: 7.993000(D) HA :: 4.279000(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 :: 121.762000(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.22 N 0.11 K 0.1 F 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.030000(D) CA :: 54.282000(D) CB :: 41.102000(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 :: 8.188000(D) HA :: 4.538000(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 :: 120.656000(D) Ave N Shift Values>> N :: 120.65(3.86) 1.R62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.18 E 0.14 C 0.14 Q 0.13 M 0.11 K 0.08 HN Overlap>> 1.R106 1.R106 C Shift Assignments>> C :: 176.702000(D) CA :: 55.846000(D) CB :: 30.583000(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 :: 8.117000(D) HA :: 4.299000(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 :: 121.290000(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.R63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.18 E 0.15 C 0.14 Q 0.13 M 0.1 K 0.08 HN Overlap>> 1.D90 1.E117 1.D90 1.E117 C Shift Assignments>> C :: 176.111000(D) CA :: 56.217000(D) CB :: 30.628000(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 :: 8.366000(D) HA :: 4.266000(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 :: 122.194000(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.N64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.47 D 0.22 C 0.08 F 0.07 Y 0.07 L 0.06 C Shift Assignments>> CA :: 53.137000(D) CB :: 39.236000(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 :: 8.565000(D) HA :: 4.718000(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 :: 120.018000(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.263000(D) CB :: 64.694000(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.045000 HA :: 4.866000 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 :: 125.061000 Ave N Shift Values>> N :: 116.28(3.52) 1.P66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.44 V 0.39 C 0.13 I 0.01 C Shift Assignments>> CA :: 63.554000(D) CB :: 32.101000(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 :: 4.363000(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.M67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.23 K 0.19 C 0.16 Q 0.15 R 0.09 H 0.09 E 0.03 V 0.01 C Shift Assignments>> CA :: 55.449000(D) CB :: 32.917000(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 :: 8.457000(D) HA :: 4.375000(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 :: 120.287000(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.09 C 0.01 HN Overlap>> 1.A109 1.A109 C Shift Assignments>> C :: 177.500000(D) CA :: 52.520000(D) CB :: 19.308000(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.306000(D) HA :: 4.256000(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.774000(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 Q 0.17 R 0.15 E 0.13 C 0.13 K 0.12 M 0.07 HN Overlap>> 1.N97 1.I24 1.N97 1.I24 C Shift Assignments>> C :: 175.267000(D) CA :: 55.274000(D) CB :: 29.782000(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 :: 8.308000(D) HA :: 4.268000(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 :: 119.588000(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.210000(D) CB :: 72.493000(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 :: 8.356000 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 :: 127.185000 Ave N Shift Values>> N :: 115.42(4.75) 1.P71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.39 P 0.38 C 0.16 I 0.01 K 0.01 R 0.01 C Shift Assignments>> CA :: 62.829000 CB :: 32.095000 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 :: 4.390000 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.C73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 R 0.15 Q 0.14 K 0.13 E 0.11 I 0.1 H 0.1 L 0.05 M 0.01 C Shift Assignments>> C :: 174.215000 CA :: 58.234000(D) CB :: 28.045000(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.369000(D) HA :: 4.400000 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 :: 119.328000(D) Ave N Shift Values>> N :: 120.17(4.64) 1.H74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 H 0.17 K 0.17 C 0.13 R 0.12 E 0.11 M 0.04 L 0.03 C Shift Assignments>> CA :: 54.838000 CB :: 28.989000 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 :: 8.581000 HA :: 4.726000 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 :: 121.058000 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.4 V 0.39 C 0.15 I 0.01 C Shift Assignments>> CA :: 63.022000(D) CB :: 32.091000(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 :: 4.351000(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.N77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.52 D 0.17 C 0.09 F 0.07 Y 0.07 L 0.04 C Shift Assignments>> CA :: 53.106000(D) CB :: 38.818000(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 :: 8.470000(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 :: 118.617000(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I78 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.I88 1.I88 H Shift Assignments>> H :: 8.135000 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 :: 123.123000 Ave N Shift Values>> N :: 121.46(4.28) 1.P79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.44 V 0.39 C 0.12 I 0.01 C Shift Assignments>> CA :: 63.599000(D) CB :: 32.091000(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 :: 4.334000(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.G80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.030000(D) CA :: 45.233000(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.483000(D) HA2 :: 3.925000(D) HA3 :: 3.925000(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.737000(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.46 C 0.22 P 0.22 K 0.02 R 0.01 Q 0.01 I 0.01 C Shift Assignments>> C :: 176.311000(D) CA :: 62.308000(D) CB :: 33.074000(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 :: 7.963000(D) HA :: 4.177000(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 :: 119.702000(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.N100 1.N100 C Shift Assignments>> C :: 173.767000(D) CA :: 61.594000(D) CB :: 69.677000(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 :: 8.316000(D) HA :: 4.293000(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 :: 118.505000(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.97 T 0.02 C Shift Assignments>> CA :: 54.998000(D) CB :: 66.045000(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.387000 HA :: 4.889000 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) 1.P84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.44 V 0.39 C 0.13 I 0.01 C Shift Assignments>> CA :: 63.465000(D) CB :: 32.046000(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 :: 4.386000(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.G85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.263000(D) CA :: 45.240000(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.539000(D) HA2 :: 3.944000(D) HA3 :: 3.944000(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.298000(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.222000(D) CA :: 62.078000(D) CB :: 69.678000(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 :: 7.945000(D) HA :: 4.252000(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 :: 114.174000(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.27 D 0.19 K 0.17 R 0.13 F 0.08 Y 0.05 C 0.04 N 0.02 HN Overlap>> 1.D105 1.D105 C Shift Assignments>> C :: 176.973000(D) CA :: 55.124000(D) CB :: 42.303000(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 :: 8.331000(D) HA :: 4.368000(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 :: 125.356000(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 Y 0.21 C 0.18 F 0.17 E 0.01 HN Overlap>> 1.I78 1.I78 C Shift Assignments>> C :: 176.214000(D) CA :: 60.946000(D) CB :: 38.568000(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.221000(D) HA :: 4.106000(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 :: 123.169000(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.17 E 0.16 C 0.14 Q 0.14 M 0.09 K 0.07 C Shift Assignments>> C :: 176.131000(D) CA :: 56.510000(D) CB :: 30.475000(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 :: 8.531000(D) HA :: 4.255000(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.615000(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.R63 1.R63 C Shift Assignments>> C :: 176.373000(D) CA :: 54.418000(D) CB :: 41.239000(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 :: 8.382000(D) HA :: 4.567000(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 :: 122.206000(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.627000(D) CA :: 58.551000(D) CB :: 63.583000(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.273000(D) HA :: 4.366000(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 :: 116.418000(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 K 0.19 C 0.17 Q 0.14 R 0.1 H 0.09 E 0.04 V 0.01 HN Overlap>> 1.R15 1.R15 C Shift Assignments>> C :: 176.497000(D) CA :: 56.267000(D) CB :: 32.808000(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 :: 8.342000(D) HA :: 4.311000(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 :: 123.208000(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.44 P 0.26 C 0.21 K 0.02 R 0.01 C Shift Assignments>> C :: 176.055000(D) CA :: 62.358000(D) CB :: 32.787000(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 :: 8.007000(D) HA :: 4.029000(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 :: 121.232000(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.17 E 0.16 Q 0.14 C 0.14 M 0.08 K 0.07 C Shift Assignments>> C :: 176.475000(D) CA :: 56.359000(D) CB :: 30.332000(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 :: 8.474000(D) HA :: 4.303000(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.231000(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.44 P 0.28 C 0.2 K 0.01 R 0.01 C Shift Assignments>> C :: 175.906000(D) CA :: 62.441000(D) CB :: 32.749000(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 :: 8.228000(D) HA :: 4.044000(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 :: 121.572000(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 D 0.19 C 0.08 F 0.07 Y 0.07 L 0.05 C Shift Assignments>> CA :: 53.177000(D) CB :: 38.945000(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 :: 8.513000(D) HA :: 4.689000(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 :: 121.906000(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.49 D 0.16 C 0.09 Y 0.08 F 0.08 L 0.04 HN Overlap>> 1.Q69 1.Q69 1.I24 1.I24 C Shift Assignments>> CA :: 53.418000(D) CB :: 38.726000(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 :: 8.405000(D) HA :: 4.672000(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 :: 119.542000(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.25 K 0.21 D 0.18 F 0.1 R 0.08 Y 0.07 C 0.05 N 0.02 C Shift Assignments>> C :: 177.442000(D) CA :: 55.639000(D) CB :: 41.953000(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 :: 8.219000(D) HA :: 4.242000(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 :: 121.982000(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.49 D 0.16 C 0.1 Y 0.08 F 0.08 L 0.04 HN Overlap>> 1.H9 1.H9 1.S4 1.S4 C Shift Assignments>> CA :: 53.482000(D) CB :: 38.705000(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 :: 8.323000(D) HA :: 4.625000(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 :: 118.019000(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 D 0.16 C 0.1 Y 0.08 F 0.07 L 0.04 HN Overlap>> 1.T82 1.T82 1.Q115 1.Q115 C Shift Assignments>> CA :: 53.406000(D) CB :: 38.682000(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 :: 8.216000(D) HA :: 4.648000(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 :: 118.491000(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 K 0.2 D 0.18 R 0.11 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 177.456000 CA :: 55.519000(D) CB :: 42.109000(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 :: 8.116000(D) HA :: 4.728000 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 :: 121.720000(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N102 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N103 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H104 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> D 0.27 L 0.25 K 0.15 F 0.08 Y 0.06 N 0.06 C 0.05 R 0.04 HN Overlap>> 1.L87 1.L87 C Shift Assignments>> C :: 176.272000(D) CA :: 54.526000(D) CB :: 41.602000(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 :: 8.376000 HA :: 4.517000(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 :: 125.329000 Ave N Shift Values>> N :: 120.65(3.86) 1.R106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.18 E 0.15 C 0.14 Q 0.14 M 0.09 K 0.07 HN Overlap>> 1.R62 1.R62 C Shift Assignments>> C :: 176.386000(D) CA :: 56.240000(D) CB :: 30.481000(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 :: 8.210000(D) HA :: 4.231000(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 :: 121.245000(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.K107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.2 K 0.2 C 0.17 Q 0.14 R 0.1 H 0.09 E 0.05 V 0.02 HN Overlap>> 1.T50 1.T41 1.T50 1.T41 C Shift Assignments>> C :: 176.464000(D) CA :: 56.470000(D) CB :: 32.790000(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 :: 8.297000(D) HA :: 4.185000(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 :: 121.838000(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.18 C 0.14 E 0.14 Q 0.13 M 0.11 K 0.08 C Shift Assignments>> C :: 174.798000(D) CA :: 55.841000(D) CB :: 30.712000(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 :: 8.212000(D) HA :: 4.570000(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 :: 120.019000(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 M 0.07 C 0.01 HN Overlap>> 1.A68 1.A68 C Shift Assignments>> C :: 177.432000(D) CA :: 52.219000(D) CB :: 19.457000(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.264000(D) HA :: 4.319000(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.694000(D) Ave N Shift Values>> N :: 123.23(3.54) 1.V110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.45 P 0.25 C 0.21 K 0.02 R 0.01 C Shift Assignments>> C :: 176.717000(D) CA :: 62.371000(D) CB :: 32.855000(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 :: 8.184000(D) HA :: 4.076000(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 :: 119.333000(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.8 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.073000(D) CA :: 45.169000(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.471000(D) HA2 :: 3.945000(D) HA3 :: 3.945000(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.393000(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.3 L 0.22 K 0.11 F 0.1 N 0.09 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.M118 1.M118 C Shift Assignments>> C :: 176.235000(D) CA :: 54.511000(D) CB :: 41.163000(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 :: 8.261000(D) HA :: 4.565000(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 :: 120.901000(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.21 N 0.11 F 0.1 K 0.08 Y 0.08 C 0.06 C Shift Assignments>> C :: 176.257000(D) CA :: 54.532000(D) CB :: 40.944000(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 :: 8.339000(D) HA :: 4.508000(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 :: 120.282000(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 177.733000(D) CA :: 52.781000(D) CB :: 19.126000(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.111000(D) HA :: 4.189000(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.872000(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.18 H 0.16 K 0.16 E 0.14 R 0.13 C 0.12 M 0.05 L 0.01 I 0.01 HN Overlap>> 1.N100 1.N100 C Shift Assignments>> C :: 175.684000(D) CA :: 55.854000(D) CB :: 29.337000(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 :: 8.161000(D) HA :: 4.191000(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 :: 118.586000(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.28 C 0.14 D 0.08 I 0.08 L 0.07 N 0.02 C Shift Assignments>> C :: 175.550000(D) CA :: 57.534000(D) CB :: 39.655000(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 :: 8.070000(D) HA :: 4.608000(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 :: 120.642000(D) Ave N Shift Values>> N :: 120.45(4.18) 1.E117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.18 R 0.17 E 0.16 Q 0.14 C 0.14 M 0.08 K 0.07 HN Overlap>> 1.R63 1.R63 C Shift Assignments>> C :: 175.923000(D) CA :: 56.450000(D) CB :: 30.334000(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 :: 8.258000(D) HA :: 4.215000(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.182000(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 Q 0.2 K 0.18 C 0.17 R 0.07 H 0.07 E 0.02 HN Overlap>> 1.D112 1.D112 C Shift Assignments>> CA :: 55.196000(D) CB :: 33.398000(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 :: 8.251000(D) HA :: 4.433000(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 :: 120.959000(D) Ave N Shift Values>> N :: 120.09(3.57) 1.D119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.2 N 0.13 F 0.1 Y 0.08 K 0.07 C 0.06 HN Overlap>> 1.Q13 1.Q13 C Shift Assignments>> C :: 174.965000(D) CA :: 54.310000(D) CB :: 40.875000(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 :: 8.421000(D) HA :: 4.624000(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 :: 122.390000(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.56 C 0.14 F 0.14 Y 0.13 C Shift Assignments>> CA :: 62.707000(D) CB :: 39.825000(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 :: 7.584000(D) HA :: 4.210000 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.699000(D) Ave N Shift Values>> N :: 121.46(4.28) ########################################################################### Overall Results: #Consistent: 15 #Clerical: 103 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 112 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 120 #Suspicious: 0 C Shift Results: #Consistent: 27 #Duplicate: 266 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 28 #Duplicate: 188 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 11 #Duplicate: 88 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.A5 CB = 19.127000(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.4902e-01 1.A5 HA = 4.306000(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.1674e-01 1.G6 C = 174.410000(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.7393e-01 1.G6 CA = 45.308000(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7500e-01 1.G6 H = 8.359000(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6441e-01 1.G6 HA2 = 3.970000(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.0000e+00 1.G6 HA3 = 3.970000(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.4994e-01 1.G6 N = 108.157000(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.9583e-01 1.S7 C = 175.170000(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.4914e-01 1.S7 CB = 63.898000(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.4721e-01 1.S7 H = 8.289000(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.8783e-01 1.S7 HA = 4.409000(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.5912e-01 1.S7 N = 115.738000(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.7763e-01 1.G8 CA = 45.376000(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.8452e-01 1.G8 H = 8.509000(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.8302e-01 1.G8 HA2 = 3.906000(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.6267e-01 1.G8 HA3 = 3.906000(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.8706e-01 1.G8 N = 110.709000(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.8833e-01 1.H9 CA = 55.043000(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.2257e-01 1.H9 CB = 29.015000(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.5399e-01 1.H9 H = 8.332000(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.9238e-01 1.H9 HA = 4.679000(D), Expected = 4.61, Std = 0.4300, ChiSquare = 8.7251e-01 1.H9 N = 117.926000(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.5921e-01 1.Q10 CA = 53.889000(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.1028e-01 1.Q10 CB = 28.832000(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.4406e-01 1.Q10 H = 8.521000(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.0993e-01 1.Q10 N = 123.083000(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.7511e-01 1.P11 CB = 32.137000(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.0783e-01 1.P11 HA = 4.369000(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.2516e-01 1.S12 CA = 58.521000(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.2341e-01 1.S12 CB = 63.721000(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.5743e-01 1.S12 H = 8.532000(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.6929e-01 1.S12 HA = 4.363000(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.6990e-01 1.S12 N = 116.270000(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.9773e-01 1.Q13 HA = 4.381000(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.0083e-01 1.S14 H = 8.352000(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.0287e-01 1.S14 N = 117.086000(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.1889e-01 1.P18 CA = 63.485000(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.1878e-01 1.P18 CB = 32.038000(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.7342e-01 1.P18 HA = 4.969000(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.4664e-02 1.T19 C = 174.088000(D), Expected = 174.54, Std = 1.7600, ChiSquare = 7.9732e-01 1.T19 CA = 60.563000(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.2232e-01 1.T19 CB = 72.210000(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.2814e-01 1.T19 H = 8.131000(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.6045e-01 1.T19 HA = 5.378000(D), Expected = 4.46, Std = 0.4800, ChiSquare = 5.5812e-02 1.T19 N = 115.234000(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.6876e-01 1.R20 C = 174.237000(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.8442e-01 1.R20 CA = 55.288000(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.2116e-01 1.R20 CB = 33.317000(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.5270e-01 1.R20 H = 8.772000(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.8314e-01 1.R20 HA = 4.565000(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.6456e-01 1.R20 N = 123.615000(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.4430e-01 1.T21 C = 174.486000(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.7552e-01 1.T21 CA = 61.697000(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.3997e-01 1.T21 CB = 70.091000(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.2472e-01 1.T21 H = 8.522000(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.4923e-01 1.T21 HA = 5.071000(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.0305e-01 1.T21 N = 118.122000(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.6946e-01 1.V22 C = 174.208000(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.5739e-01 1.V22 CA = 60.956000(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.9171e-01 1.V22 CB = 34.572000(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.0346e-01 1.V22 H = 8.888000(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.7211e-01 1.V22 HA = 4.222000(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.5600e-01 1.V22 N = 127.377000(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.6951e-01 1.A23 C = 177.319000(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.4332e-01 1.A23 CA = 51.464000(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.9729e-01 1.A23 CB = 19.269000(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8745e-01 1.A23 H = 8.657000(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4626e-01 1.A23 HA = 4.888000(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.5350e-01 1.A23 N = 129.838000(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1948e-02 1.I24 C = 175.286000(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.6895e-01 1.I24 CA = 59.244000(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.7733e-01 1.I24 CB = 39.828000(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.5313e-01 1.I24 H = 8.373000(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.9122e-01 1.I24 N = 119.637000(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.7016e-01 1.S25 C = 173.624000(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.6254e-01 1.S25 CA = 58.546000(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.3301e-01 1.S25 CB = 64.197000(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.8851e-01 1.S25 H = 8.894000(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.9803e-01 1.S25 HA = 4.559000(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.4344e-01 1.S25 N = 118.173000(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.9073e-01 1.D26 C = 175.373000(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.5730e-01 1.D26 CA = 53.568000(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.8046e-01 1.D26 CB = 44.310000(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.4236e-02 1.D26 H = 7.626000(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.3827e-01 1.D26 HA = 4.390000(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.3197e-01 1.D26 N = 121.200000(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.8670e-01 1.A27 C = 178.559000(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.0060e-01 1.A27 CA = 54.527000(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.8361e-01 1.A27 CB = 18.213000(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.6319e-01 1.A27 H = 8.576000(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.3088e-01 1.A27 HA = 3.646000(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.6288e-01 1.A27 N = 127.144000(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.6888e-01 1.A28 C = 178.262000(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.0640e-01 1.A28 CA = 53.581000(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.2375e-01 1.A28 CB = 18.527000(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.9183e-01 1.A28 H = 8.706000(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.9904e-01 1.A28 HA = 4.147000(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.9732e-01 1.A28 N = 120.737000(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.8129e-01 1.Q29 C = 176.309000(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.9959e-01 1.Q29 CA = 55.669000(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.7373e-01 1.Q29 CB = 29.542000(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.4664e-01 1.Q29 H = 7.763000(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.3859e-01 1.Q29 HA = 4.148000(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.8157e-01 1.Q29 N = 114.697000(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.4916e-01 1.L30 CA = 52.831000(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9040e-01 1.L30 CB = 41.346000(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.0811e-01 1.L30 H = 7.372000(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8683e-01 1.L30 N = 121.539000(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.3440e-01 1.P31 CA = 62.290000(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.9384e-01 1.P31 CB = 32.082000(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.4413e-01 1.P31 HA = 4.502000(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.5725e-01 1.H32 C = 175.540000(D), Expected = 175.25, Std = 1.9700, ChiSquare = 8.8297e-01 1.H32 CA = 57.993000(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.2369e-01 1.H32 CB = 30.197000(D), Expected = 30.24, Std = 2.0700, ChiSquare = 9.8343e-01 1.H32 H = 8.470000(D), Expected = 8.24, Std = 0.6800, ChiSquare = 7.3519e-01 1.H32 HA = 4.360000(D), Expected = 4.61, Std = 0.4300, ChiSquare = 5.6097e-01 1.H32 N = 117.609000(D), Expected = 119.69, Std = 4.0000, ChiSquare = 6.0289e-01 1.D33 C = 175.284000(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.2366e-01 1.D33 CA = 52.558000(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.9360e-01 1.D33 CB = 39.936000(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.6008e-01 1.D33 H = 8.017000(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.1344e-01 1.D33 HA = 4.491000(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.5704e-01 1.D33 N = 116.910000(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.3259e-01 1.Y34 C = 173.767000(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.1187e-01 1.Y34 CA = 57.416000(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.7606e-01 1.Y34 CB = 37.926000(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.1869e-01 1.Y34 H = 7.177000(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.1741e-01 1.Y34 HA = 4.538000(D), Expected = 4.63, Std = 0.5600, ChiSquare = 8.6951e-01 1.Y34 N = 117.053000(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.0910e-01 1.C35 C = 172.538000(D), Expected = 174.95, Std = 2.0700, ChiSquare = 2.4393e-01 1.C35 CA = 57.180000(D), Expected = 58.30, Std = 3.3300, ChiSquare = 7.3662e-01 1.C35 CB = 30.968000(D), Expected = 32.49, Std = 6.0100, ChiSquare = 8.0008e-01 1.C35 H = 9.083000(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.0098e-01 1.C35 HA = 4.468000(D), Expected = 4.66, Std = 0.5500, ChiSquare = 7.2702e-01 1.C35 N = 120.507000(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.4210e-01 1.T36 C = 176.025000(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.9881e-01 1.T36 CA = 59.962000(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.8331e-01 1.T36 CB = 71.562000(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.6104e-01 1.T36 H = 8.127000(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.5538e-01 1.T36 HA = 5.907000(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.5733e-03 1.T36 N = 112.959000(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.0438e-01 1.T37 CA = 60.783000(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.7901e-01 1.T37 CB = 69.143000(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.1876e-01 1.T37 HA = 5.059000(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.1206e-01 1.P38 CA = 66.559000(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.3642e-02 1.P38 CB = 32.036000(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.7475e-01 1.P38 HA = 4.216000(D), Expected = 4.40, Std = 0.3300, ChiSquare = 5.7713e-01 1.G39 C = 175.879000(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.8524e-01 1.G39 CA = 45.580000(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.6372e-01 1.G39 H = 11.087000(S), Expected = 8.33, Std = 0.6500, ChiSquare = 2.2199e-05 1.G39 HA2 = 4.030000(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.7118e-01 1.G39 HA3 = 3.820000(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.2882e-01 1.G39 N = 109.551000(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.7547e-01 1.G40 C = 174.511000(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.3314e-01 1.G40 CA = 44.625000(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.8848e-01 1.G40 H = 8.309000(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7423e-01 1.G40 HA2 = 4.379000(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.6898e-01 1.G40 HA3 = 3.510000(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.9186e-01 1.G40 N = 107.931000(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.5318e-01 1.T41 C = 173.271000(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.7090e-01 1.T41 CA = 65.907000(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.5458e-01 1.T41 CB = 67.288000(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.3409e-01 1.T41 H = 8.379000(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.2261e-01 1.T41 HA = 4.391000(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.8570e-01 1.T41 N = 121.876000(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.7410e-01 1.L42 C = 176.499000(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.0415e-01 1.L42 CA = 54.042000(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.5879e-01 1.L42 CB = 44.422000(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.6127e-01 1.L42 H = 8.848000(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4172e-01 1.L42 HA = 5.457000(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.5557e-02 1.L42 N = 128.458000(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.0685e-02 1.F43 C = 173.322000(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.9176e-01 1.F43 CA = 56.197000(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.6375e-01 1.F43 CB = 43.361000(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.0676e-01 1.F43 H = 9.270000(D), Expected = 8.36, Std = 0.7200, ChiSquare = 2.0627e-01 1.F43 HA = 6.232000(D), Expected = 4.63, Std = 0.5700, ChiSquare = 4.9461e-03 1.F43 N = 118.836000(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.9940e-01 1.S44 C = 172.653000(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.5279e-01 1.S44 CA = 57.470000(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.4593e-01 1.S44 CB = 65.532000(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.4189e-01 1.S44 H = 9.453000(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.6797e-02 1.S44 HA = 4.776000(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.5930e-01 1.S44 N = 115.201000(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.5920e-01 1.T45 C = 175.563000(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.6107e-01 1.T45 CA = 60.669000(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.4928e-01 1.T45 CB = 71.079000(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.0789e-01 1.T45 H = 8.311000(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.0883e-01 1.T45 HA = 5.677000(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.1231e-02 1.T45 N = 114.036000(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.7077e-01 1.T46 CA = 60.869000(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.0193e-01 1.T46 CB = 69.008000(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.5781e-01 1.P47 CA = 66.562000(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.3477e-02 1.P47 CB = 32.036000(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.7475e-01 1.P47 HA = 4.244000(D), Expected = 4.40, Std = 0.3300, ChiSquare = 6.3641e-01 1.G48 C = 175.879000(D), Expected = 173.87, Std = 1.8800, ChiSquare = 2.8524e-01 1.G48 CA = 45.543000(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.8548e-01 1.G48 H = 11.182000(S), Expected = 8.33, Std = 0.6500, ChiSquare = 1.1456e-05 1.G48 HA2 = 4.030000(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.7118e-01 1.G48 HA3 = 3.820000(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.2882e-01 1.G48 N = 109.652000(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9629e-01 1.G49 C = 174.304000(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.1743e-01 1.G49 CA = 44.625000(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.8848e-01 1.G49 H = 8.309000(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7423e-01 1.G49 HA2 = 4.379000(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.6898e-01 1.G49 HA3 = 3.510000(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.9186e-01 1.G49 N = 107.931000(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.5318e-01 1.T50 C = 173.132000(D), Expected = 174.54, Std = 1.7600, ChiSquare = 4.2371e-01 1.T50 CA = 65.907000(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.5458e-01 1.T50 CB = 67.288000(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.3409e-01 1.T50 H = 8.369000(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.3518e-01 1.T50 HA = 4.191000(D), Expected = 4.46, Std = 0.4800, ChiSquare = 5.7520e-01 1.T50 N = 121.777000(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.8079e-01 1.R51 C = 174.261000(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.8977e-01 1.R51 CA = 55.618000(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.1799e-01 1.R51 CB = 31.589000(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.2711e-01 1.R51 H = 8.512000(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.5567e-01 1.R51 HA = 4.948000(D), Expected = 4.30, Std = 0.4600, ChiSquare = 1.5892e-01 1.R51 N = 126.854000(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.9947e-02 1.I52 C = 175.045000(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.7502e-01 1.I52 CA = 58.936000(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.1840e-01 1.I52 CB = 38.273000(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.5972e-01 1.I52 H = 9.143000(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.0440e-01 1.I52 HA = 4.511000(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.5447e-01 1.I52 N = 128.344000(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.0775e-01 1.I53 C = 175.508000(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.5862e-01 1.I53 CA = 59.192000(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.6693e-01 1.I53 CB = 38.755000(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.5066e-01 1.I53 H = 8.586000(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.5271e-01 1.I53 HA = 4.525000(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.3785e-01 1.I53 N = 125.289000(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.7099e-01 1.Y54 C = 175.037000(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.5526e-01 1.Y54 CA = 57.161000(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.9946e-01 1.Y54 CB = 38.752000(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.9258e-01 1.Y54 H = 8.124000(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.8832e-01 1.Y54 HA = 4.962000(D), Expected = 4.63, Std = 0.5600, ChiSquare = 5.5328e-01 1.Y54 N = 124.829000(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.0491e-01 1.D55 C = 176.355000(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.7949e-01 1.D55 CA = 53.219000(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.6868e-01 1.D55 CB = 41.951000(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.0854e-01 1.D55 H = 8.753000(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.4499e-01 1.D55 HA = 4.677000(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.8572e-01 1.D55 N = 125.342000(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.2416e-01 1.R56 C = 176.288000(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.5208e-01 1.R56 CA = 56.263000(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.2628e-01 1.R56 CB = 29.995000(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.0005e-01 1.R56 H = 8.442000(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.4053e-01 1.R56 HA = 4.265000(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.3935e-01 1.R56 N = 124.512000(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.1312e-01 1.K57 C = 176.713000(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.7088e-01 1.K57 CA = 56.948000(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.9927e-01 1.K57 CB = 32.037000(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.7227e-01 1.K57 H = 8.545000(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.5407e-01 1.K57 HA = 4.137000(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.6244e-01 1.K57 N = 124.317000(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.8617e-01 1.F58 C = 175.529000(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.5632e-01 1.F58 CA = 57.024000(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.8115e-01 1.F58 CB = 38.828000(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.7822e-01 1.F58 H = 7.682000(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.4636e-01 1.F58 HA = 4.592000(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.4685e-01 1.F58 N = 116.172000(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.0610e-01 1.L59 C = 177.251000(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.9513e-01 1.L59 CA = 55.293000(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.7799e-01 1.L59 CB = 42.211000(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.5800e-01 1.L59 H = 7.721000(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3358e-01 1.L59 HA = 4.228000(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.4481e-01 1.L59 N = 121.190000(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6360e-01 1.L60 C = 177.057000(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.7301e-01 1.L60 CA = 55.261000(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.6615e-01 1.L60 CB = 42.303000(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.9703e-01 1.L60 H = 7.993000(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.1540e-01 1.L60 HA = 4.279000(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.3049e-01 1.L60 N = 121.762000(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7995e-01 1.D61 C = 176.030000(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.3255e-01 1.D61 CA = 54.282000(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.4071e-01 1.D61 CB = 41.102000(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.9100e-01 1.D61 H = 8.188000(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.3340e-01 1.D61 HA = 4.538000(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.7091e-01 1.D61 N = 120.656000(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.9876e-01 1.R62 C = 176.702000(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.8563e-01 1.R62 CA = 55.846000(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.8916e-01 1.R62 CB = 30.583000(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.4902e-01 1.R62 H = 8.117000(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.4020e-01 1.R62 HA = 4.299000(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.9827e-01 1.R62 N = 121.290000(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.9407e-01 1.R63 C = 176.111000(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.8290e-01 1.R63 CA = 56.217000(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.1080e-01 1.R63 CB = 30.628000(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.6862e-01 1.R63 H = 8.366000(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.3636e-01 1.R63 HA = 4.266000(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.4108e-01 1.R63 N = 122.194000(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.0483e-01 1.N64 CA = 53.137000(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.3027e-01 1.N64 CB = 39.236000(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.4664e-01 1.N64 H = 8.565000(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.2098e-01 1.N64 HA = 4.718000(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.9393e-01 1.N64 N = 120.018000(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.8718e-01 1.S65 CA = 56.263000(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.3524e-01 1.S65 CB = 64.694000(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.4581e-01 1.P66 CA = 63.554000(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.8284e-01 1.P66 CB = 32.101000(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.3155e-01 1.P66 HA = 4.363000(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.1073e-01 1.M67 CA = 55.449000(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.6691e-01 1.M67 CB = 32.917000(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.7400e-01 1.M67 H = 8.457000(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.4266e-01 1.M67 HA = 4.375000(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.4187e-01 1.M67 N = 120.287000(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.5599e-01 1.A68 C = 177.500000(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.1029e-01 1.A68 CA = 52.520000(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.5418e-01 1.A68 CB = 19.308000(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.7064e-01 1.A68 H = 8.306000(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.5977e-01 1.A68 HA = 4.256000(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.9275e-01 1.A68 N = 125.774000(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.7236e-01 1.Q69 C = 175.267000(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.9274e-01 1.Q69 CA = 55.274000(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.4478e-01 1.Q69 CB = 29.782000(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.4497e-01 1.Q69 H = 8.308000(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.8143e-01 1.Q69 HA = 4.268000(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.9637e-01 1.Q69 N = 119.588000(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3315e-01 1.T70 CA = 61.210000(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.9656e-01 1.T70 CB = 72.493000(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.0058e-02 1.C73 CA = 58.234000(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.8419e-01 1.C73 CB = 28.045000(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.5954e-01 1.C73 H = 8.369000(D), Expected = 8.39, Std = 0.6700, ChiSquare = 9.7500e-01 1.C73 N = 119.328000(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.5600e-01 1.P76 CA = 63.022000(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.3942e-01 1.P76 CB = 32.091000(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.3817e-01 1.P76 HA = 4.351000(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.8196e-01 1.N77 CA = 53.106000(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.1743e-01 1.N77 CB = 38.818000(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.3963e-01 1.N77 H = 8.470000(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.3652e-01 1.N77 N = 118.617000(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.3809e-01 1.P79 CA = 63.599000(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.5953e-01 1.P79 CB = 32.091000(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.3817e-01 1.P79 HA = 4.334000(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.4148e-01 1.G80 C = 174.030000(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.3218e-01 1.G80 CA = 45.233000(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3042e-01 1.G80 H = 8.483000(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1391e-01 1.G80 HA2 = 3.925000(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.0320e-01 1.G80 HA3 = 3.925000(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.4613e-01 1.G80 N = 109.737000(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.8619e-01 1.V81 C = 176.311000(D), Expected = 175.62, Std = 1.9000, ChiSquare = 7.1609e-01 1.V81 CA = 62.308000(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.4926e-01 1.V81 CB = 33.074000(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.4760e-01 1.V81 H = 7.963000(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.2551e-01 1.V81 HA = 4.177000(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.8212e-01 1.V81 N = 119.702000(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.5144e-01 1.T82 C = 173.767000(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.6051e-01 1.T82 CA = 61.594000(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.0901e-01 1.T82 CB = 69.677000(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.7406e-01 1.T82 H = 8.316000(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.0244e-01 1.T82 HA = 4.293000(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.2790e-01 1.T82 N = 118.505000(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.1603e-01 1.S83 CA = 54.998000(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.2166e-02 1.S83 CB = 66.045000(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.2929e-01 1.P84 CA = 63.465000(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.2923e-01 1.P84 CB = 32.046000(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.6808e-01 1.P84 HA = 4.386000(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.6616e-01 1.G85 C = 174.263000(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.3442e-01 1.G85 CA = 45.240000(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3458e-01 1.G85 H = 8.539000(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.4780e-01 1.G85 HA2 = 3.944000(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.4398e-01 1.G85 HA3 = 3.944000(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.0534e-01 1.G85 N = 109.298000(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.2342e-01 1.T86 C = 174.222000(D), Expected = 174.54, Std = 1.7600, ChiSquare = 8.5662e-01 1.T86 CA = 62.078000(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.5628e-01 1.T86 CB = 69.678000(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.7455e-01 1.T86 H = 7.945000(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.3421e-01 1.T86 HA = 4.252000(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.6477e-01 1.T86 N = 114.174000(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.9308e-01 1.L87 C = 176.973000(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.9315e-01 1.L87 CA = 55.124000(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.1587e-01 1.L87 CB = 42.303000(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.9703e-01 1.L87 H = 8.331000(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.7652e-01 1.L87 HA = 4.368000(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.1866e-01 1.L87 N = 125.356000(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.7003e-01 1.I88 C = 176.214000(D), Expected = 175.85, Std = 1.9200, ChiSquare = 8.4964e-01 1.I88 CA = 60.946000(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.0432e-01 1.I88 CB = 38.568000(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.7551e-01 1.I88 H = 8.221000(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.3086e-01 1.I88 HA = 4.106000(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.9487e-01 1.I88 N = 123.169000(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.8967e-01 1.E89 C = 176.131000(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.0471e-01 1.E89 CA = 56.510000(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.9834e-01 1.E89 CB = 30.475000(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.8689e-01 1.E89 H = 8.531000(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.3335e-01 1.E89 HA = 4.255000(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.9027e-01 1.E89 N = 125.615000(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.5532e-01 1.D90 C = 176.373000(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.8769e-01 1.D90 CA = 54.418000(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.9341e-01 1.D90 CB = 41.239000(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.2462e-01 1.D90 H = 8.382000(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.0121e-01 1.D90 HA = 4.567000(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.4270e-01 1.D90 N = 122.206000(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.8687e-01 1.S91 C = 174.627000(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.9675e-01 1.S91 CA = 58.551000(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.3493e-01 1.S91 CB = 63.583000(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.8343e-01 1.S91 H = 8.273000(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.9053e-01 1.S91 HA = 4.366000(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.7564e-01 1.S91 N = 116.418000(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.6873e-01 1.K92 C = 176.497000(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.4300e-01 1.K92 CA = 56.267000(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.5622e-01 1.K92 CB = 32.808000(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.9193e-01 1.K92 H = 8.342000(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0001e-01 1.K92 HA = 4.311000(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.2576e-01 1.K92 N = 123.208000(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.6704e-01 1.V93 C = 176.055000(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.1891e-01 1.V93 CA = 62.358000(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.6319e-01 1.V93 CB = 32.787000(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.7460e-01 1.V93 H = 8.007000(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.7274e-01 1.V93 HA = 4.029000(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.8133e-01 1.V93 N = 121.232000(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8383e-01 1.E94 C = 176.475000(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.3948e-01 1.E94 CA = 56.359000(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.4565e-01 1.E94 CB = 30.332000(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.5150e-01 1.E94 H = 8.474000(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.0718e-01 1.E94 HA = 4.303000(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.9715e-01 1.E94 N = 125.231000(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.8998e-01 1.V95 C = 175.906000(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.8035e-01 1.V95 CA = 62.441000(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8633e-01 1.V95 CB = 32.749000(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.9153e-01 1.V95 H = 8.228000(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2627e-01 1.V95 HA = 4.044000(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.0125e-01 1.V95 N = 121.572000(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.2419e-01 1.N96 CA = 53.177000(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.4689e-01 1.N96 CB = 38.945000(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.8006e-01 1.N96 H = 8.513000(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.8362e-01 1.N96 HA = 4.689000(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.5791e-01 1.N96 N = 121.906000(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.6023e-01 1.N97 CA = 53.418000(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.4826e-01 1.N97 CB = 38.726000(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.8301e-01 1.N97 H = 8.405000(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.1782e-01 1.N97 HA = 4.672000(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.9557e-01 1.N97 N = 119.542000(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.7930e-01 1.L98 C = 177.442000(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.1943e-01 1.L98 CA = 55.639000(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.9288e-01 1.L98 CB = 41.953000(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.4939e-01 1.L98 H = 8.219000(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8650e-01 1.L98 HA = 4.242000(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.6819e-01 1.L98 N = 121.982000(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7504e-01 1.N99 CA = 53.482000(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.7539e-01 1.N99 CB = 38.705000(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.9292e-01 1.N99 H = 8.323000(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.7847e-01 1.N99 HA = 4.625000(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.0052e-01 1.N99 N = 118.019000(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.2116e-01 1.N100 CA = 53.406000(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.4318e-01 1.N100 CB = 38.682000(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.9622e-01 1.N100 H = 8.216000(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.4396e-01 1.N100 HA = 4.648000(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.5127e-01 1.N100 N = 118.491000(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.1326e-01 1.L101 CA = 55.519000(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.6218e-01 1.L101 CB = 42.109000(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1486e-01 1.L101 H = 8.116000(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6078e-01 1.L101 N = 121.720000(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7136e-01 1.D105 C = 176.272000(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.4169e-01 1.D105 CA = 54.526000(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.3561e-01 1.D105 CB = 41.602000(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.5583e-01 1.D105 HA = 4.517000(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.1955e-01 1.R106 C = 176.386000(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.9057e-01 1.R106 CA = 56.240000(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.1853e-01 1.R106 CB = 30.481000(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.0474e-01 1.R106 H = 8.210000(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.6078e-01 1.R106 HA = 4.231000(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.8076e-01 1.R106 N = 121.245000(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.0375e-01 1.K107 C = 176.464000(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.2988e-01 1.K107 CA = 56.470000(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.2729e-01 1.K107 CB = 32.790000(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.0000e+00 1.K107 H = 8.297000(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.5846e-01 1.K107 HA = 4.185000(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.4682e-01 1.K107 N = 121.838000(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.3443e-01 1.H108 C = 174.798000(D), Expected = 175.25, Std = 1.9700, ChiSquare = 8.1853e-01 1.H108 CA = 55.841000(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.6880e-01 1.H108 CB = 30.712000(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.1963e-01 1.H108 H = 8.212000(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.6716e-01 1.H108 HA = 4.570000(D), Expected = 4.61, Std = 0.4300, ChiSquare = 9.2589e-01 1.H108 N = 120.019000(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.3445e-01 1.A109 C = 177.432000(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.8503e-01 1.A109 CA = 52.219000(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.4182e-01 1.A109 CB = 19.457000(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.0703e-01 1.A109 H = 8.264000(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.1505e-01 1.A109 HA = 4.319000(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.9333e-01 1.A109 N = 125.694000(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.8640e-01 1.V110 C = 176.717000(D), Expected = 175.62, Std = 1.9000, ChiSquare = 5.6369e-01 1.V110 CA = 62.371000(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.6681e-01 1.V110 CB = 32.855000(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.4433e-01 1.V110 H = 8.184000(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.7429e-01 1.V110 HA = 4.076000(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.4418e-01 1.V110 N = 119.333000(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.9062e-01 1.G111 C = 174.073000(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.1401e-01 1.G111 CA = 45.169000(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.9255e-01 1.G111 H = 8.471000(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2827e-01 1.G111 HA2 = 3.945000(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.4613e-01 1.G111 HA3 = 3.945000(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.0320e-01 1.G111 N = 112.393000(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.8167e-01 1.D112 C = 176.235000(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.2488e-01 1.D112 CA = 54.511000(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.2974e-01 1.D112 CB = 41.163000(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.6132e-01 1.D112 H = 8.261000(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.3267e-01 1.D112 HA = 4.565000(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.3773e-01 1.D112 N = 120.901000(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.4815e-01 1.D113 C = 176.257000(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.3487e-01 1.D113 CA = 54.532000(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.3796e-01 1.D113 CB = 40.944000(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.6849e-01 1.D113 H = 8.339000(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.6012e-01 1.D113 HA = 4.508000(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.9776e-01 1.D113 N = 120.282000(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.2405e-01 1.A114 C = 177.733000(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.9738e-01 1.A114 CA = 52.781000(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5612e-01 1.A114 CB = 19.126000(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.4946e-01 1.A114 H = 8.111000(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.8208e-01 1.A114 HA = 4.189000(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.7181e-01 1.A114 N = 123.872000(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.5609e-01 1.Q115 C = 175.684000(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.4819e-01 1.Q115 CA = 55.854000(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3794e-01 1.Q115 CB = 29.337000(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.3563e-01 1.Q115 H = 8.161000(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.2034e-01 1.Q115 HA = 4.191000(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.5751e-01 1.Q115 N = 118.586000(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.1719e-01 1.F116 C = 175.550000(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.4791e-01 1.F116 CA = 57.534000(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.3175e-01 1.F116 CB = 39.655000(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.7266e-01 1.F116 H = 8.070000(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.8711e-01 1.F116 HA = 4.608000(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.6921e-01 1.F116 N = 120.642000(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.6336e-01 1.E117 C = 175.923000(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.2722e-01 1.E117 CA = 56.450000(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.7721e-01 1.E117 CB = 30.334000(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.5059e-01 1.E117 H = 8.258000(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.0287e-01 1.E117 HA = 4.215000(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.3197e-01 1.E117 N = 122.182000(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.6394e-01 1.M118 CA = 55.196000(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.8190e-01 1.M118 CB = 33.398000(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.5547e-01 1.M118 H = 8.251000(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.8803e-01 1.M118 HA = 4.433000(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.6178e-01 1.M118 N = 120.959000(D), Expected = 120.09, Std = 3.5700, ChiSquare = 8.0768e-01 1.D119 C = 174.965000(D), Expected = 176.40, Std = 1.7500, ChiSquare = 4.1222e-01 1.D119 CA = 54.310000(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.5151e-01 1.D119 CB = 40.875000(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.9754e-01 1.D119 H = 8.421000(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.4823e-01 1.D119 HA = 4.624000(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.1538e-01 1.D119 N = 122.390000(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.5215e-01 1.I120 CA = 62.707000(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.8230e-01 1.I120 CB = 39.825000(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.5413e-01 1.I120 H = 7.584000(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.0606e-01 1.I120 N = 124.699000(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.4918e-01