Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.PCA1 Overall Status: Residue type PCA not supported. 1.N2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.66 D 0.12 C 0.11 F 0.05 L 0.02 C Shift Assignments>> CA :: 52.630(D) CB :: 38.266(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 :: 8.648(D) HA :: 4.761(D) HB2 :: 2.771(D) HB3 :: 2.640(D) HD21 :: 7.554(D) HD22 :: 6.870(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 :: 120.329(D) ND2 :: 113.032(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.C3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.07 C 0.04 C Shift Assignments>> CA :: 52.700(D) CB :: 46.651(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.950(D) HA :: 4.820(D) HB2 :: 3.004(D) HB3 :: 3.048(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.561(D) Ave N Shift Values>> N :: 120.17(4.64) 1.P4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 63.730(D) CB :: 33.299(D) CG :: 27.361(D) CD :: 51.069(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 :: 4.505(D) HB2 :: 2.258(D) HB3 :: 1.733(D) HG2 :: 2.075(D) HG3 :: 2.031(D) HD2 :: 3.992(D) HD3 :: 3.605(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.T5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 61.618(D) CB :: 70.257(D) CG2 :: 21.027(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 :: 8.529(D) HA :: 4.814(D) HB :: 3.917(D) HG21 :: 1.108(D) HG22 :: 1.108(D) HG23 :: 1.108(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 :: 118.207(D) Ave N Shift Values>> N :: 115.42(4.75) 1.R6 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.47 R 0.41 G 0.1 C Shift Assignments>> CA :: 54.931(D) CB :: 32.752(D) CG :: 28.575(D) CD :: 43.309(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.693(D) HA :: 4.528(D) HB2 :: 1.122(D) HB3 :: 0.444(S) HG2 :: 1.358(D) HG3 :: 1.255(D) HD2 :: 3.086(D) HD3 :: 3.036(D) HE :: 7.281(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 :: 123.211(D) NE :: 85.585(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.R7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.52 C 0.44 G 0.03 C Shift Assignments>> CA :: 54.415(D) CB :: 32.673(D) CG :: 26.698(D) CD :: 42.612(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 :: 8.450(D) HA :: 4.666(D) HB2 :: 1.760(D) HB3 :: 1.563(D) HG2 :: 1.487(D) HG3 :: 1.405(D) HD2 :: 3.103(D) HD3 :: 3.065(D) HE :: 7.707(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 :: 121.558(D) NE :: 84.680(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.G8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> CA :: 46.653(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.382(D) HA3 :: 3.912(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.006(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.47 R 0.27 L 0.19 G 0.03 C Shift Assignments>> CA :: 57.754(D) CB :: 42.770(D) CG :: 26.773(D) CD1 :: 22.657(D) CD2 :: 27.242(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 :: 8.215(D) HA :: 3.890(D) HB2 :: 1.546(D) HB3 :: 0.959(D) HG :: 1.117(D) HD11 :: 0.529(D) HD12 :: 0.529(D) HD13 :: 0.529(D) HD21 :: 0.444(D) HD22 :: 0.444(D) HD23 :: 0.444(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.202(D) Ave N Shift Values>> N :: 121.86(3.9) 1.C10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.29 C 0.23 I 0.21 R 0.16 G 0.05 L 0.03 C Shift Assignments>> CA :: 61.378(D) CB :: 42.589(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.282(D) HA :: 3.890(D) HB2 :: 3.179(D) HB3 :: 2.786(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 :: 115.050(D) Ave N Shift Values>> N :: 120.17(4.64) 1.V11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.84 C 0.15 C Shift Assignments>> CA :: 64.508(D) CB :: 32.598(D) CG1 :: 21.029(D) CG2 :: 21.916(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 :: 7.315(D) HA :: 3.771(D) HB :: 2.092(D) HG11 :: 0.831(D) HG12 :: 0.831(D) HG13 :: 0.831(D) HG21 :: 0.912(D) HG22 :: 0.912(D) HG23 :: 0.912(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.792(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.94 C 0.05 C Shift Assignments>> CA :: 63.575(D) CB :: 69.400(D) CG2 :: 21.751(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 :: 8.214(D) HA :: 4.044(D) HB :: 4.124(D) HG21 :: 1.153(D) HG22 :: 1.153(D) HG23 :: 1.153(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.816(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 59.460(D) CB :: 64.586(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.511(D) HA :: 4.607(D) HB2 :: 3.665(D) HB3 :: 3.598(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.455(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.42 L 0.27 R 0.17 C 0.04 F 0.03 D 0.03 C Shift Assignments>> CA :: 44.324(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.376(D) HA2 :: 4.466(D) HA3 :: 3.901(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.125(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.49 C 0.44 R 0.04 C Shift Assignments>> CA :: 57.986(D) CB :: 41.526(D) CG :: 27.317(D) CD1 :: 25.765(D) CD2 :: 22.851(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 :: 8.469(D) HA :: 3.936(D) HB2 :: 1.693(D) HB3 :: 1.444(D) HG :: 1.290(D) HD11 :: 0.862(D) HD12 :: 0.862(D) HD13 :: 0.862(D) HD21 :: 0.766(D) HD22 :: 0.766(D) HD23 :: 0.766(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.782(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.96 C 0.03 C Shift Assignments>> CA :: 67.196(D) CB :: 68.003(D) CG2 :: 21.841(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 :: 8.487(D) HA :: 3.602(D) HB :: 4.013(D) HG21 :: 1.069(D) HG22 :: 1.069(D) HG23 :: 1.069(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 :: 115.887(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 C 0.05 I 0.03 L 0.01 V 0.01 C Shift Assignments>> CA :: 54.841(D) CB :: 18.931(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.609(D) HA :: 4.014(D) HB1 :: 1.326(D) HB2 :: 1.326(D) HB3 :: 1.326(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.643(D) Ave N Shift Values>> N :: 123.23(3.54) 1.C18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.39 F 0.3 I 0.25 N 0.01 D 0.01 L 0.01 C Shift Assignments>> CA :: 58.453(D) CB :: 37.646(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.644(D) HA :: 4.253(D) HB2 :: 2.869(D) HB3 :: 2.666(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 :: 118.252(D) Ave N Shift Values>> N :: 120.17(4.64) 1.R19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.58 R 0.24 G 0.17 C Shift Assignments>> CA :: 60.552(D) CB :: 29.801(D) CG :: 28.713(D) CD :: 43.699(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.072(D) HA :: 3.475(D) HB2 :: 1.763(D) HB3 :: 1.608(D) HG2 :: 1.353(D) HG3 :: 1.353(D) HD2 :: 3.130(D) HD3 :: 3.089(D) HE :: 6.966(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 :: 120.422(D) NE :: 83.508(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.N20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 N 0.28 F 0.19 D 0.05 I 0.04 L 0.01 HN Overlap>> 1.C22 1.C22 C Shift Assignments>> CA :: 55.611(D) CB :: 37.255(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 :: 8.411(D) HA :: 4.212(D) HB2 :: 2.703(D) HB3 :: 2.703(D) HD21 :: 7.546(D) HD22 :: 6.802(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.466(D) ND2 :: 111.471(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.56 H 0.43 C Shift Assignments>> CA :: 59.154(D) CB :: 31.588(D) CD2 :: 118.691(D) CE1 :: 137.934(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.827(D) HA :: 4.174(D) HB2 :: 3.030(D) HB3 :: 2.858(D) HD2 :: 6.572(D) HE1 :: 7.485(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 :: 120.420(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.46 F 0.25 I 0.22 N 0.01 D 0.01 HN Overlap>> 1.N20 1.N20 C Shift Assignments>> CA :: 58.221(D) CB :: 37.178(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.500(D) HA :: 3.159(D) HB2 :: 2.493(D) HB3 :: 2.355(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.510(D) Ave N Shift Values>> N :: 120.17(4.64) 1.R23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.45 C 0.43 G 0.11 C Shift Assignments>> CA :: 57.028(D) CB :: 30.655(D) CG :: 27.939(D) CD :: 43.732(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.985(D) HA :: 4.653(D) HB2 :: 1.949(D) HB3 :: 1.592(D) HG2 :: 1.494(D) HG3 :: 1.388(D) HD2 :: 3.004(D) HD3 :: 2.946(D) HE :: 6.673(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 :: 116.564(D) NE :: 83.674(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.S24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 57.592(D) CB :: 65.284(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.435(D) HA :: 4.552(D) HB2 :: 3.977(D) HB3 :: 3.977(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 :: 116.727(D) Ave N Shift Values>> N :: 116.28(3.52) 1.C25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.34 C 0.2 D 0.16 N 0.1 L 0.1 I 0.07 C Shift Assignments>> CA :: 56.614(D) CB :: 39.273(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.000(D) HA :: 4.636(D) HB2 :: 2.949(D) HB3 :: 2.812(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.909(D) Ave N Shift Values>> N :: 120.17(4.64) 1.H26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 H 0.49 C Shift Assignments>> CA :: 54.722(D) CB :: 32.100(D) CD2 :: 119.631(D) CE1 :: 134.996(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 :: 9.255(D) HA :: 4.952(D) HB2 :: 3.068(D) HB3 :: 2.579(D) HD2 :: 6.863(D) HE1 :: 8.304(D) HE2 :: 12.811(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 :: 126.609(D) NE2 :: 178.216(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.49 C 0.46 G 0.02 L 0.01 C Shift Assignments>> CA :: 57.477(D) CB :: 29.880(D) CG :: 26.774(D) CD :: 42.692(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 :: 8.314(D) HA :: 4.022(D) HB2 :: 1.874(D) HB3 :: 1.461(D) HG2 :: 1.619(D) HG3 :: 1.485(D) HD2 :: 3.034(D) HD3 :: 3.034(D) HE :: 7.062(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 :: 122.033(D) NE :: 84.548(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.G28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.29 G 0.24 F 0.04 D 0.04 C 0.04 C Shift Assignments>> CA :: 43.972(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.495(D) HA2 :: 4.674(D) HA3 :: 3.645(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 119.213(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.38 L 0.17 C 0.16 D 0.15 I 0.08 N 0.02 C Shift Assignments>> CA :: 57.446(D) CB :: 40.438(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 :: 8.646(D) HA :: 4.264(D) HB2 :: 2.670(D) HB3 :: 2.569(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 :: 121.258(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.5 C 0.49 C Shift Assignments>> CA :: 61.407(D) CB :: 32.905(D) CG1 :: 19.476(D) CG2 :: 21.104(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 :: 8.026(D) HA :: 4.223(D) HB :: 2.100(D) HG11 :: 0.700(D) HG12 :: 0.700(D) HG13 :: 0.700(D) HG21 :: 0.777(D) HG22 :: 0.777(D) HG23 :: 0.777(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 112.703(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.44 L 0.26 R 0.16 C 0.04 F 0.03 D 0.03 C Shift Assignments>> CA :: 44.366(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.511(D) HA2 :: 4.049(D) HA3 :: 3.667(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.481(D) Ave N Shift Values>> N :: 109.67(3.87) 1.C32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.39 L 0.28 N 0.11 F 0.1 C 0.06 R 0.02 C Shift Assignments>> CA :: 54.181(D) CB :: 41.296(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.554(D) HA :: 4.946(D) HB2 :: 2.838(D) HB3 :: 2.838(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.673(D) Ave N Shift Values>> N :: 120.17(4.64) 1.V33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.95 I 0.02 C Shift Assignments>> CA :: 59.311(D) CB :: 36.480(D) CG1 :: 17.690(D) CG2 :: 22.504(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.025(D) HA :: 4.795(D) HB :: 1.612(D) HG11 :: 0.321(D) HG12 :: 0.321(D) HG13 :: 0.321(D) HG21 :: 0.554(D) HG22 :: 0.554(D) HG23 :: 0.554(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 :: 119.401(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.43 R 0.39 G 0.17 C Shift Assignments>> CA :: 55.192(D) CB :: 33.138(D) CG :: 27.205(D) CD :: 43.821(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.350(D) HA :: 4.699(D) HB2 :: 1.484(D) HB3 :: 1.484(D) HG2 :: 1.441(D) HG3 :: 1.244(D) HD2 :: 3.070(D) HD3 :: 3.070(D) HE :: 7.186(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 :: 120.394(D) NE :: 84.450(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.C35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.37 L 0.32 R 0.15 C 0.05 D 0.04 F 0.03 C Shift Assignments>> CA :: 55.277(D) CB :: 44.553(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.567(D) HA :: 6.051(D) HB2 :: 3.490(D) HB3 :: 2.606(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 :: 118.098(D) Ave N Shift Values>> N :: 120.17(4.64) 1.S36 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>> CA :: 60.945(D) CB :: 64.743(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.669(D) HA :: 4.326(D) HB2 :: 3.723(D) HB3 :: 3.684(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.009(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.42 L 0.22 N 0.21 C 0.05 F 0.05 R 0.01 C Shift Assignments>> CA :: 52.086(D) CB :: 41.374(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.755(D) HA :: 4.408(D) HB2 :: 2.715(D) HB3 :: 2.494(D) HD21 :: 7.734(D) HD22 :: 7.123(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.050(D) ND2 :: 113.245(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.97 C 0.01 C Shift Assignments>> CA :: 52.134(D) CB :: 19.193(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.323(D) HA :: 5.162(D) HB1 :: 1.269(D) HB2 :: 1.269(D) HB3 :: 1.269(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.735(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Q39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.89 Q 0.1 C Shift Assignments>> CA :: 54.749(D) CB :: 33.817(D) CG :: 33.684(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 :: 8.746(D) HA :: 4.313(D) HB2 :: 2.217(D) HB3 :: 2.111(D) HG2 :: 1.804(D) HG3 :: 1.584(D) HE21 :: 7.272(D) HE22 :: 6.713(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 :: 116.531(D) NE2 :: 110.797(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 L 0.25 N 0.14 F 0.12 C 0.07 C Shift Assignments>> CA :: 54.413(D) CB :: 40.902(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.536(D) HA :: 5.549(D) HB2 :: 3.271(D) HB3 :: 2.691(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 :: 122.074(D) Ave N Shift Values>> N :: 120.17(4.64) 1.T41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.84 C 0.15 C Shift Assignments>> CA :: 60.550(D) CB :: 71.033(D) CG2 :: 21.495(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 :: 9.779(D) HA :: 4.641(D) HB :: 4.254(D) HG21 :: 1.016(D) HG22 :: 1.016(D) HG23 :: 1.016(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.753(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.3 R 0.27 G 0.26 C 0.04 F 0.04 D 0.04 C Shift Assignments>> CA :: 44.015(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.247(D) HA2 :: 4.401(D) HA3 :: 3.715(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.809(D) Ave N Shift Values>> N :: 109.67(3.87) 1.F43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.63 C 0.36 HN Overlap>> 1.T47 1.T47 C Shift Assignments>> CA :: 60.196(D) CB :: 38.650(D) CD1 :: 131.577(D) CE1 :: 131.537(D) CZ :: 129.967(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 :: 8.707(D) HA :: 4.298(D) HB2 :: 3.090(D) HB3 :: 2.837(D) HD1 :: 7.176(D) HD2 :: 7.176(D) HE1 :: 7.276(D) HE2 :: 7.276(D) HZ :: 7.221(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.293(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.99 C Shift Assignments>> CB :: 40.386(D) CG :: 27.472(D) CD1 :: 25.609(D) CD2 :: 22.119(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 :: 8.645(D) HA :: 3.848(D) HB2 :: 1.518(D) HB3 :: 1.387(D) HG :: 1.245(D) HD11 :: 0.619(D) HD12 :: 0.619(D) HD13 :: 0.619(D) HD21 :: 0.508(D) HD22 :: 0.508(D) HD23 :: 0.508(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.771(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> CA :: 47.311(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.831(D) HA2 :: 3.563(D) HA3 :: 3.162(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.545(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 62.180(D) CB :: 70.021(D) CG2 :: 21.959(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 :: 6.823(D) HA :: 3.901(D) HB :: 4.269(D) HG21 :: 1.011(D) HG22 :: 1.011(D) HG23 :: 1.011(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 :: 104.485(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.93 C 0.06 HN Overlap>> 1.F43 1.F43 C Shift Assignments>> CA :: 62.843(D) CB :: 70.176(D) CG2 :: 21.391(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 :: 8.763(D) HA :: 4.371(D) HB :: 3.771(D) HG21 :: 0.983(D) HG22 :: 0.983(D) HG23 :: 0.983(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 :: 123.300(D) Ave N Shift Values>> N :: 115.42(4.75) 1.C48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.56 N 0.13 F 0.13 Q 0.06 I 0.04 D 0.01 H 0.01 C Shift Assignments>> CA :: 55.984(D) CB :: 36.282(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.276(D) HA :: 4.973(D) HB2 :: 2.998(D) HB3 :: 2.921(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 :: 128.024(D) Ave N Shift Values>> N :: 120.17(4.64) 1.T49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 61.871(D) CB :: 69.789(D) CG2 :: 21.671(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 :: 9.194(D) HA :: 4.364(D) HB :: 3.878(D) HG21 :: 1.061(D) HG22 :: 1.061(D) HG23 :: 1.061(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 :: 131.810(S) Ave N Shift Values>> N :: 115.42(4.75) 1.C50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 N 0.2 Q 0.18 H 0.03 P 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 51.880(D) CB :: 34.934(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.879(D) HA :: 5.035(D) HB2 :: 2.884(D) HB3 :: 3.157(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 :: 123.835(D) Ave N Shift Values>> N :: 120.17(4.64) 1.I51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 I 0.48 C Shift Assignments>> CA :: 59.619(D) CB :: 39.380(D) CG1 :: 26.813(D) CG2 :: 16.136(D) CD1 :: 11.167(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 :: 8.098(D) HA :: 4.143(D) HB :: 1.066(D) HG12 :: 1.220(D) HG13 :: 1.015(D) HG21 :: 1.011(D) HG22 :: 1.011(D) HG23 :: 1.011(D) HD11 :: 0.531(D) HD12 :: 0.531(D) HD13 :: 0.531(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 :: 123.986(D) Ave N Shift Values>> N :: 121.46(4.28) 1.N52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.66 C 0.14 D 0.09 F 0.06 L 0.02 C Shift Assignments>> CA :: 52.891(D) CB :: 37.913(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 :: 8.323(D) HA :: 4.716(D) HB2 :: 2.668(D) HB3 :: 2.525(D) HD21 :: 7.435(D) HD22 :: 6.760(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 :: 126.122(D) ND2 :: 111.646(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Indeterminable PRTL>> C 0.97 P 0.01 C Shift Assignments>> CA :: 63.033(D) CB :: 35.860(S) CG :: 25.454(D) CD :: 51.623(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 :: 4.307(D) HB2 :: 2.396(D) HB3 :: 1.983(D) HG2 :: 1.915(D) HG3 :: 1.792(D) HD2 :: 3.578(D) HD3 :: 3.503(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.C54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.14 C 0.05 C Shift Assignments>> CA :: 54.150(D) CB :: 46.154(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.865(D) HA :: 5.736(D) HB2 :: 3.068(D) HB3 :: 2.617(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 :: 123.090(D) Ave N Shift Values>> N :: 120.17(4.64) 1.P55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> CA :: 62.258(D) CB :: 32.450(D) CG :: 27.369(D) CD :: 50.457(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 :: 4.286(D) HB2 :: 2.151(D) HB3 :: 1.879(D) HG2 :: 1.875(D) HG3 :: 1.772(D) HD2 :: 4.219(D) HD3 :: 3.014(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.R56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.54 C 0.41 G 0.03 C Shift Assignments>> CA :: 56.121(D) CB :: 30.539(D) CG :: 27.355(D) CD :: 42.891(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.902(D) HA :: 4.485(D) HB2 :: 1.801(D) HB3 :: 1.662(D) HG2 :: 1.680(D) HG3 :: 1.566(D) HD2 :: 3.105(D) HD3 :: 3.105(D) HE :: 7.149(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.289(D) NE :: 84.459(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.C57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.68 C 0.17 L 0.12 C Shift Assignments>> CA :: 56.590(D) CB :: 47.191(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.780(D) HA :: 4.397(D) HB2 :: 3.051(D) HB3 :: 3.156(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 :: 124.031(D) Ave N Shift Values>> N :: 120.17(4.64) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 53 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 56 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 56 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 157 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 341 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 65 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.N2 CA = 52.630(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.2836e-01 1.N2 CB = 38.266(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.0190e-01 1.N2 H = 8.648(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.2492e-01 1.N2 HA = 4.761(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.0044e-01 1.N2 HB2 = 2.771(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.9989e-01 1.N2 HB3 = 2.640(D), Expected = 2.75, Std = 0.3300, ChiSquare = 7.3888e-01 1.N2 HD21 = 7.554(D), Expected = 7.35, Std = 0.4800, ChiSquare = 6.7084e-01 1.N2 HD22 = 6.870(D), Expected = 7.14, Std = 0.4900, ChiSquare = 5.8162e-01 1.N2 N = 120.329(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.2848e-01 1.N2 ND2 = 113.032(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.9937e-01 1.C3 CA = 52.700(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.2631e-02 1.C3 CB = 46.651(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.8461e-02 1.C3 H = 7.950(D), Expected = 8.39, Std = 0.6700, ChiSquare = 5.1136e-01 1.C3 HA = 4.820(D), Expected = 4.66, Std = 0.5500, ChiSquare = 7.7112e-01 1.C3 HB2 = 3.004(D), Expected = 2.96, Std = 0.4400, ChiSquare = 9.2034e-01 1.C3 HB3 = 3.048(D), Expected = 2.89, Std = 0.4600, ChiSquare = 7.3124e-01 1.C3 N = 117.561(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.7392e-01 1.P4 CA = 63.730(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.9243e-01 1.P4 CB = 33.299(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.1946e-01 1.P4 CG = 27.361(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.6090e-01 1.P4 CD = 51.069(D), Expected = 50.32, Std = 0.9900, ChiSquare = 4.4931e-01 1.P4 HA = 4.505(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.5035e-01 1.P4 HB2 = 2.258(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.1105e-01 1.P4 HB3 = 1.733(D), Expected = 2.00, Std = 0.3600, ChiSquare = 4.5829e-01 1.P4 HG2 = 2.075(D), Expected = 1.93, Std = 0.3100, ChiSquare = 6.3997e-01 1.P4 HG3 = 2.031(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.9139e-01 1.P4 HD2 = 3.992(D), Expected = 3.65, Std = 0.3500, ChiSquare = 3.2850e-01 1.P4 HD3 = 3.605(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.8977e-01 1.T5 CA = 61.618(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.1620e-01 1.T5 CB = 70.257(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.4646e-01 1.T5 CG2 = 21.027(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.3752e-01 1.T5 H = 8.529(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.4112e-01 1.T5 HA = 4.814(D), Expected = 4.46, Std = 0.4800, ChiSquare = 4.6082e-01 1.T5 HB = 3.917(D), Expected = 4.17, Std = 0.3300, ChiSquare = 4.4328e-01 1.T5 HG21 = 1.108(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.8935e-01 1.T5 HG22 = 1.108(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.8935e-01 1.T5 HG23 = 1.108(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.8935e-01 1.T5 N = 118.207(D), Expected = 115.42, Std = 4.7500, ChiSquare = 5.5738e-01 1.R6 CA = 54.931(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.2597e-01 1.R6 CB = 32.752(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.6216e-01 1.R6 CG = 28.575(D), Expected = 27.21, Std = 1.2000, ChiSquare = 2.5533e-01 1.R6 CD = 43.309(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.6555e-01 1.R6 H = 7.693(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.6987e-01 1.R6 HA = 4.528(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.2014e-01 1.R6 HB2 = 1.122(D), Expected = 1.79, Std = 0.2700, ChiSquare = 1.3358e-02 1.R6 HB3 = 0.444(S), Expected = 1.76, Std = 0.2800, ChiSquare = 2.6016e-06 1.R6 HG2 = 1.358(D), Expected = 1.57, Std = 0.2700, ChiSquare = 4.3235e-01 1.R6 HG3 = 1.255(D), Expected = 1.54, Std = 0.2900, ChiSquare = 3.2573e-01 1.R6 HD2 = 3.086(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.8734e-01 1.R6 HD3 = 3.036(D), Expected = 3.10, Std = 0.2600, ChiSquare = 8.0556e-01 1.R6 HE = 7.281(D), Expected = 7.40, Std = 0.6300, ChiSquare = 8.5018e-01 1.R6 N = 123.211(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.1236e-01 1.R6 NE = 85.585(D), Expected = 84.63, Std = 1.6800, ChiSquare = 5.6973e-01 1.R7 CA = 54.415(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.0798e-01 1.R7 CB = 32.673(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.8097e-01 1.R7 CG = 26.698(D), Expected = 27.21, Std = 1.2000, ChiSquare = 6.6962e-01 1.R7 CD = 42.612(D), Expected = 43.16, Std = 0.8800, ChiSquare = 5.3346e-01 1.R7 H = 8.450(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.3065e-01 1.R7 HA = 4.666(D), Expected = 4.30, Std = 0.4600, ChiSquare = 4.2623e-01 1.R7 HB2 = 1.760(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.1153e-01 1.R7 HB3 = 1.563(D), Expected = 1.76, Std = 0.2800, ChiSquare = 4.8170e-01 1.R7 HG2 = 1.487(D), Expected = 1.57, Std = 0.2700, ChiSquare = 7.5853e-01 1.R7 HG3 = 1.405(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.4156e-01 1.R7 HD2 = 3.103(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.4353e-01 1.R7 HD3 = 3.065(D), Expected = 3.10, Std = 0.2600, ChiSquare = 8.9292e-01 1.R7 HE = 7.707(D), Expected = 7.40, Std = 0.6300, ChiSquare = 6.2604e-01 1.R7 N = 121.558(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.3681e-01 1.R7 NE = 84.680(D), Expected = 84.63, Std = 1.6800, ChiSquare = 9.7626e-01 1.G8 CA = 46.653(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.3086e-01 1.G8 H = 9.382(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.0556e-01 1.G8 HA3 = 3.912(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.7413e-01 1.G8 N = 111.006(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.2993e-01 1.L9 CA = 57.754(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1640e-01 1.L9 CB = 42.770(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.0670e-01 1.L9 CG = 26.773(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.9492e-01 1.L9 CD1 = 22.657(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.9446e-01 1.L9 CD2 = 27.242(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.0430e-02 1.L9 H = 8.215(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8159e-01 1.L9 HA = 3.890(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.6025e-01 1.L9 HB2 = 1.546(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.5069e-01 1.L9 HB3 = 0.959(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.1915e-01 1.L9 HG = 1.117(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.3369e-01 1.L9 HD11 = 0.529(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2995e-01 1.L9 HD12 = 0.529(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2995e-01 1.L9 HD13 = 0.529(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.2995e-01 1.L9 HD21 = 0.444(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.2403e-01 1.L9 HD22 = 0.444(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.2403e-01 1.L9 HD23 = 0.444(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.2403e-01 1.L9 N = 119.202(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.9553e-01 1.C10 CA = 61.378(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.5532e-01 1.C10 CB = 42.589(D), Expected = 32.49, Std = 6.0100, ChiSquare = 9.2886e-02 1.C10 H = 9.282(D), Expected = 8.39, Std = 0.6700, ChiSquare = 1.8308e-01 1.C10 HA = 3.890(D), Expected = 4.66, Std = 0.5500, ChiSquare = 1.6151e-01 1.C10 HB2 = 3.179(D), Expected = 2.96, Std = 0.4400, ChiSquare = 6.1868e-01 1.C10 HB3 = 2.786(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.2113e-01 1.C10 N = 115.050(D), Expected = 120.17, Std = 4.6400, ChiSquare = 2.6983e-01 1.V11 CA = 64.508(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.8044e-01 1.V11 CB = 32.598(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.4122e-01 1.V11 CG1 = 21.029(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.3463e-01 1.V11 CG2 = 21.916(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.7411e-01 1.V11 H = 7.315(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.4561e-01 1.V11 HA = 3.771(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.7004e-01 1.V11 HB = 2.092(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.2634e-01 1.V11 HG11 = 0.831(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9693e-01 1.V11 HG12 = 0.831(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9693e-01 1.V11 HG13 = 0.831(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.9693e-01 1.V11 HG21 = 0.912(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8916e-01 1.V11 HG22 = 0.912(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8916e-01 1.V11 HG23 = 0.912(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8916e-01 1.V11 N = 117.792(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.6085e-01 1.T12 CA = 63.575(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.0086e-01 1.T12 CB = 69.400(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.3956e-01 1.T12 CG2 = 21.751(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.5630e-01 1.T12 H = 8.214(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.6655e-01 1.T12 HA = 4.044(D), Expected = 4.46, Std = 0.4800, ChiSquare = 3.8612e-01 1.T12 HB = 4.124(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.8914e-01 1.T12 HG21 = 1.153(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5493e-01 1.T12 HG22 = 1.153(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5493e-01 1.T12 HG23 = 1.153(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5493e-01 1.T12 N = 109.816(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.3808e-01 1.S13 CA = 59.460(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.2073e-01 1.S13 CB = 64.586(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.9536e-01 1.S13 H = 7.511(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.9244e-01 1.S13 HA = 4.607(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.5086e-01 1.S13 HB2 = 3.665(D), Expected = 3.88, Std = 0.2500, ChiSquare = 3.8979e-01 1.S13 HB3 = 3.598(D), Expected = 3.85, Std = 0.2700, ChiSquare = 3.5065e-01 1.S13 N = 114.455(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.0413e-01 1.G14 CA = 44.324(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.4387e-01 1.G14 H = 8.376(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4358e-01 1.G14 HA2 = 4.466(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.8007e-01 1.G14 HA3 = 3.901(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.9784e-01 1.G14 N = 109.125(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.8801e-01 1.L15 CA = 57.986(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.6666e-01 1.L15 CB = 41.526(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.7666e-01 1.L15 CG = 27.317(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.2542e-01 1.L15 CD1 = 25.765(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.1103e-01 1.L15 CD2 = 22.851(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.8063e-01 1.L15 H = 8.469(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.1310e-01 1.L15 HA = 3.936(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.1392e-01 1.L15 HB2 = 1.693(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.0714e-01 1.L15 HB3 = 1.444(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.3280e-01 1.L15 HG = 1.290(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.0499e-01 1.L15 HD11 = 0.862(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8916e-01 1.L15 HD12 = 0.862(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8916e-01 1.L15 HD13 = 0.862(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8916e-01 1.L15 HD21 = 0.766(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.0121e-01 1.L15 HD22 = 0.766(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.0121e-01 1.L15 HD23 = 0.766(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.0121e-01 1.L15 N = 120.782(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8223e-01 1.T16 CA = 67.196(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.4702e-02 1.T16 CB = 68.003(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.8937e-01 1.T16 CG2 = 21.841(D), Expected = 21.55, Std = 1.1100, ChiSquare = 7.9320e-01 1.T16 H = 8.487(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.9034e-01 1.T16 HA = 3.602(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.3857e-02 1.T16 HB = 4.013(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.3425e-01 1.T16 HG21 = 1.069(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5755e-01 1.T16 HG22 = 1.069(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5755e-01 1.T16 HG23 = 1.069(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.5755e-01 1.T16 N = 115.887(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.2168e-01 1.A17 CA = 54.841(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.9029e-01 1.A17 CB = 18.931(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.6557e-01 1.A17 H = 7.609(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.2462e-01 1.A17 HA = 4.014(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.7610e-01 1.A17 HB1 = 1.326(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2645e-01 1.A17 HB2 = 1.326(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2645e-01 1.A17 HB3 = 1.326(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2645e-01 1.A17 N = 122.643(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.6830e-01 1.C18 CA = 58.453(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.6335e-01 1.C18 CB = 37.646(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.9095e-01 1.C18 H = 7.644(D), Expected = 8.39, Std = 0.6700, ChiSquare = 2.6552e-01 1.C18 HA = 4.253(D), Expected = 4.66, Std = 0.5500, ChiSquare = 4.5930e-01 1.C18 HB2 = 2.869(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.3615e-01 1.C18 HB3 = 2.666(D), Expected = 2.89, Std = 0.4600, ChiSquare = 6.2629e-01 1.C18 N = 118.252(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.7934e-01 1.R19 CA = 60.552(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.0158e-01 1.R19 CB = 29.801(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.2324e-01 1.R19 CG = 28.713(D), Expected = 27.21, Std = 1.2000, ChiSquare = 2.1039e-01 1.R19 CD = 43.699(D), Expected = 43.16, Std = 0.8800, ChiSquare = 5.4021e-01 1.R19 H = 9.072(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.7259e-01 1.R19 HA = 3.475(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.2897e-02 1.R19 HB2 = 1.763(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.2034e-01 1.R19 HB3 = 1.608(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.8723e-01 1.R19 HG2 = 1.353(D), Expected = 1.57, Std = 0.2700, ChiSquare = 4.2157e-01 1.R19 HG3 = 1.353(D), Expected = 1.54, Std = 0.2900, ChiSquare = 5.1904e-01 1.R19 HD2 = 3.130(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.6676e-01 1.R19 HD3 = 3.089(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.6625e-01 1.R19 HE = 6.966(D), Expected = 7.40, Std = 0.6300, ChiSquare = 4.9089e-01 1.R19 N = 120.422(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.1819e-01 1.R19 NE = 83.508(D), Expected = 84.63, Std = 1.6800, ChiSquare = 5.0422e-01 1.N20 CA = 55.611(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.7064e-01 1.N20 CB = 37.255(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.9582e-01 1.N20 H = 8.411(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.1027e-01 1.N20 HA = 4.212(D), Expected = 4.67, Std = 0.3600, ChiSquare = 2.0329e-01 1.N20 HB2 = 2.703(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.2997e-01 1.N20 HB3 = 2.703(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.8675e-01 1.N20 HD21 = 7.546(D), Expected = 7.35, Std = 0.4800, ChiSquare = 6.8303e-01 1.N20 HD22 = 6.802(D), Expected = 7.14, Std = 0.4900, ChiSquare = 4.9032e-01 1.N20 N = 117.466(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.1640e-01 1.N20 ND2 = 111.471(D), Expected = 112.75, Std = 2.2300, ChiSquare = 5.6628e-01 1.H21 CA = 59.154(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.5418e-01 1.H21 CB = 31.588(D), Expected = 30.24, Std = 2.0700, ChiSquare = 5.1491e-01 1.H21 CD2 = 118.691(D), Expected = 120.49, Std = 3.4200, ChiSquare = 5.9887e-01 1.H21 CE1 = 137.934(D), Expected = 137.71, Std = 2.1200, ChiSquare = 9.1585e-01 1.H21 H = 7.827(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.4362e-01 1.H21 HA = 4.174(D), Expected = 4.61, Std = 0.4300, ChiSquare = 3.1061e-01 1.H21 HB2 = 3.030(D), Expected = 3.10, Std = 0.3600, ChiSquare = 8.4583e-01 1.H21 HB3 = 2.858(D), Expected = 3.04, Std = 0.3800, ChiSquare = 6.3198e-01 1.H21 HD2 = 6.572(D), Expected = 7.00, Std = 0.4300, ChiSquare = 3.1957e-01 1.H21 HE1 = 7.485(D), Expected = 7.95, Std = 0.4800, ChiSquare = 3.3267e-01 1.H21 N = 120.420(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.5519e-01 1.C22 CA = 58.221(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.8107e-01 1.C22 CB = 37.178(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.3537e-01 1.C22 H = 8.500(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.6959e-01 1.C22 HA = 3.159(D), Expected = 4.66, Std = 0.5500, ChiSquare = 6.3509e-03 1.C22 HB2 = 2.493(D), Expected = 2.96, Std = 0.4400, ChiSquare = 2.8852e-01 1.C22 HB3 = 2.355(D), Expected = 2.89, Std = 0.4600, ChiSquare = 2.4481e-01 1.C22 N = 117.510(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.6646e-01 1.R23 CA = 57.028(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.1107e-01 1.R23 CB = 30.655(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.8038e-01 1.R23 CG = 27.939(D), Expected = 27.21, Std = 1.2000, ChiSquare = 5.4352e-01 1.R23 CD = 43.732(D), Expected = 43.16, Std = 0.8800, ChiSquare = 5.1569e-01 1.R23 H = 7.985(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.7592e-01 1.R23 HA = 4.653(D), Expected = 4.30, Std = 0.4600, ChiSquare = 4.4285e-01 1.R23 HB2 = 1.949(D), Expected = 1.79, Std = 0.2700, ChiSquare = 5.5594e-01 1.R23 HB3 = 1.592(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.4851e-01 1.R23 HG2 = 1.494(D), Expected = 1.57, Std = 0.2700, ChiSquare = 7.7834e-01 1.R23 HG3 = 1.388(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.0018e-01 1.R23 HD2 = 3.004(D), Expected = 3.12, Std = 0.2400, ChiSquare = 6.2886e-01 1.R23 HD3 = 2.946(D), Expected = 3.10, Std = 0.2600, ChiSquare = 5.5364e-01 1.R23 HE = 6.673(D), Expected = 7.40, Std = 0.6300, ChiSquare = 2.4851e-01 1.R23 N = 116.564(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.4970e-01 1.R23 NE = 83.674(D), Expected = 84.63, Std = 1.6800, ChiSquare = 5.6932e-01 1.S24 CA = 57.592(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.8580e-01 1.S24 CB = 65.284(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.1600e-01 1.S24 H = 7.435(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.5209e-01 1.S24 HA = 4.552(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.5715e-01 1.S24 HB2 = 3.977(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.9802e-01 1.S24 HB3 = 3.977(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.3809e-01 1.S24 N = 116.727(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.9895e-01 1.C25 CA = 56.614(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.1264e-01 1.C25 CB = 39.273(D), Expected = 32.49, Std = 6.0100, ChiSquare = 2.5906e-01 1.C25 H = 9.000(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.6259e-01 1.C25 HA = 4.636(D), Expected = 4.66, Std = 0.5500, ChiSquare = 9.6519e-01 1.C25 HB2 = 2.949(D), Expected = 2.96, Std = 0.4400, ChiSquare = 9.8006e-01 1.C25 HB3 = 2.812(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.6535e-01 1.C25 N = 121.909(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.0782e-01 1.H26 CA = 54.722(D), Expected = 56.52, Std = 2.3100, ChiSquare = 4.3636e-01 1.H26 CB = 32.100(D), Expected = 30.24, Std = 2.0700, ChiSquare = 3.6889e-01 1.H26 CD2 = 119.631(D), Expected = 120.49, Std = 3.4200, ChiSquare = 8.0168e-01 1.H26 CE1 = 134.996(D), Expected = 137.71, Std = 2.1200, ChiSquare = 2.0048e-01 1.H26 H = 9.255(D), Expected = 8.24, Std = 0.6800, ChiSquare = 1.3553e-01 1.H26 HA = 4.952(D), Expected = 4.61, Std = 0.4300, ChiSquare = 4.2641e-01 1.H26 HB2 = 3.068(D), Expected = 3.10, Std = 0.3600, ChiSquare = 9.2917e-01 1.H26 HB3 = 2.579(D), Expected = 3.04, Std = 0.3800, ChiSquare = 2.2507e-01 1.H26 HD2 = 6.863(D), Expected = 7.00, Std = 0.4300, ChiSquare = 7.5003e-01 1.H26 HE1 = 8.304(D), Expected = 7.95, Std = 0.4800, ChiSquare = 4.6082e-01 1.H26 HE2 = 12.811(D), Expected = 9.64, Std = 2.6000, ChiSquare = 2.2261e-01 1.H26 N = 126.609(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.3675e-02 1.H26 NE2 = 178.216(D), Expected = 182.41, Std = 14.4000, ChiSquare = 7.7086e-01 1.R27 CA = 57.477(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.5956e-01 1.R27 CB = 29.880(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.5409e-01 1.R27 CG = 26.774(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.1636e-01 1.R27 CD = 42.692(D), Expected = 43.16, Std = 0.8800, ChiSquare = 5.9485e-01 1.R27 H = 8.314(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.0344e-01 1.R27 HA = 4.022(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.4561e-01 1.R27 HB2 = 1.874(D), Expected = 1.79, Std = 0.2700, ChiSquare = 7.5572e-01 1.R27 HB3 = 1.461(D), Expected = 1.76, Std = 0.2800, ChiSquare = 2.8558e-01 1.R27 HG2 = 1.619(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.5599e-01 1.R27 HG3 = 1.485(D), Expected = 1.54, Std = 0.2900, ChiSquare = 8.4958e-01 1.R27 HD2 = 3.034(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.2009e-01 1.R27 HD3 = 3.034(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.9961e-01 1.R27 HE = 7.062(D), Expected = 7.40, Std = 0.6300, ChiSquare = 5.9161e-01 1.R27 N = 122.033(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.3758e-01 1.R27 NE = 84.548(D), Expected = 84.63, Std = 1.6800, ChiSquare = 9.6107e-01 1.G28 CA = 43.972(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.0378e-01 1.G28 H = 8.495(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.9961e-01 1.G28 HA2 = 4.674(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.7079e-02 1.G28 HA3 = 3.645(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.9070e-01 1.G28 N = 119.213(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3667e-02 1.D29 CA = 57.446(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.7458e-01 1.D29 CB = 40.438(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.8498e-01 1.D29 H = 8.646(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.6238e-01 1.D29 HA = 4.264(D), Expected = 4.59, Std = 0.3200, ChiSquare = 3.0832e-01 1.D29 HB2 = 2.670(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.4750e-01 1.D29 HB3 = 2.569(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.4518e-01 1.D29 N = 121.258(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7484e-01 1.V30 CA = 61.407(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.0493e-01 1.V30 CB = 32.905(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.2212e-01 1.V30 CG1 = 19.476(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.3864e-01 1.V30 CG2 = 21.104(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.2034e-01 1.V30 H = 8.026(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.9356e-01 1.V30 HA = 4.223(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.5463e-01 1.V30 HB = 2.100(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.0766e-01 1.V30 HG11 = 0.700(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1707e-01 1.V30 HG12 = 0.700(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1707e-01 1.V30 HG13 = 0.700(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.1707e-01 1.V30 HG21 = 0.777(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.3453e-01 1.V30 HG22 = 0.777(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.3453e-01 1.V30 HG23 = 0.777(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.3453e-01 1.V30 N = 112.703(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3117e-02 1.G31 CA = 44.366(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.6275e-01 1.G31 H = 7.511(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.0767e-01 1.G31 HA2 = 4.049(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.3093e-01 1.G31 HA3 = 3.667(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.2887e-01 1.G31 N = 109.481(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.6105e-01 1.C32 CA = 54.181(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.1611e-01 1.C32 CB = 41.296(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.4286e-01 1.C32 H = 8.554(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.0663e-01 1.C32 HA = 4.946(D), Expected = 4.66, Std = 0.5500, ChiSquare = 6.0306e-01 1.C32 HB2 = 2.838(D), Expected = 2.96, Std = 0.4400, ChiSquare = 7.8157e-01 1.C32 HB3 = 2.838(D), Expected = 2.89, Std = 0.4600, ChiSquare = 9.1000e-01 1.C32 N = 121.673(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.4600e-01 1.V33 CA = 59.311(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.6634e-01 1.V33 CB = 36.480(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.6173e-02 1.V33 CG1 = 17.690(D), Expected = 21.49, Std = 1.3600, ChiSquare = 5.2042e-03 1.V33 CG2 = 22.504(D), Expected = 21.26, Std = 1.5600, ChiSquare = 4.2520e-01 1.V33 H = 9.025(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.7263e-01 1.V33 HA = 4.795(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.9690e-01 1.V33 HB = 1.612(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.5014e-01 1.V33 HG11 = 0.321(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.0266e-02 1.V33 HG12 = 0.321(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.0266e-02 1.V33 HG13 = 0.321(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.0266e-02 1.V33 HG21 = 0.554(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.7963e-01 1.V33 HG22 = 0.554(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.7963e-01 1.V33 HG23 = 0.554(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.7963e-01 1.V33 N = 119.401(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.0169e-01 1.R34 CA = 55.192(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.9453e-01 1.R34 CB = 33.138(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.8278e-01 1.R34 CG = 27.205(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.9668e-01 1.R34 CD = 43.821(D), Expected = 43.16, Std = 0.8800, ChiSquare = 4.5257e-01 1.R34 H = 8.350(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.5690e-01 1.R34 HA = 4.699(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.8573e-01 1.R34 HB2 = 1.484(D), Expected = 1.79, Std = 0.2700, ChiSquare = 2.5707e-01 1.R34 HB3 = 1.484(D), Expected = 1.76, Std = 0.2800, ChiSquare = 3.2427e-01 1.R34 HG2 = 1.441(D), Expected = 1.57, Std = 0.2700, ChiSquare = 6.3281e-01 1.R34 HG3 = 1.244(D), Expected = 1.54, Std = 0.2900, ChiSquare = 3.0740e-01 1.R34 HD2 = 3.070(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.3497e-01 1.R34 HD3 = 3.070(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.0814e-01 1.R34 HE = 7.186(D), Expected = 7.40, Std = 0.6300, ChiSquare = 7.3410e-01 1.R34 N = 120.394(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.1215e-01 1.R34 NE = 84.450(D), Expected = 84.63, Std = 1.6800, ChiSquare = 9.1468e-01 1.C35 CA = 55.277(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.6398e-01 1.C35 CB = 44.553(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.4733e-02 1.C35 H = 8.567(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.9164e-01 1.C35 HA = 6.051(D), Expected = 4.66, Std = 0.5500, ChiSquare = 1.1436e-02 1.C35 HB2 = 3.490(D), Expected = 2.96, Std = 0.4400, ChiSquare = 2.2838e-01 1.C35 HB3 = 2.606(D), Expected = 2.89, Std = 0.4600, ChiSquare = 5.3698e-01 1.C35 N = 118.098(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.5520e-01 1.S36 CA = 60.945(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.8243e-01 1.S36 CB = 64.743(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.2402e-01 1.S36 H = 7.669(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.0039e-01 1.S36 HA = 4.326(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.0024e-01 1.S36 HB2 = 3.723(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.3000e-01 1.S36 HB3 = 3.684(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.3868e-01 1.S36 N = 114.009(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.1882e-01 1.N37 CA = 52.086(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.3928e-01 1.N37 CB = 41.374(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.1225e-01 1.N37 H = 7.755(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.5311e-01 1.N37 HA = 4.408(D), Expected = 4.67, Std = 0.3600, ChiSquare = 4.6675e-01 1.N37 HB2 = 2.715(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.5926e-01 1.N37 HB3 = 2.494(D), Expected = 2.75, Std = 0.3300, ChiSquare = 4.3789e-01 1.N37 HD21 = 7.734(D), Expected = 7.35, Std = 0.4800, ChiSquare = 4.2371e-01 1.N37 HD22 = 7.123(D), Expected = 7.14, Std = 0.4900, ChiSquare = 9.7232e-01 1.N37 N = 117.050(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.4086e-01 1.N37 ND2 = 113.245(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.2433e-01 1.A38 CA = 52.134(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.1140e-01 1.A38 CB = 19.193(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2034e-01 1.A38 H = 9.323(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.1253e-02 1.A38 HA = 5.162(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.0364e-02 1.A38 HB1 = 1.269(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.5539e-01 1.A38 HB2 = 1.269(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.5539e-01 1.A38 HB3 = 1.269(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.5539e-01 1.A38 N = 123.735(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.8656e-01 1.Q39 CA = 54.749(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.9481e-01 1.Q39 CB = 33.817(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.1012e-02 1.Q39 CG = 33.684(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.4541e-01 1.Q39 H = 8.746(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.7265e-01 1.Q39 HA = 4.313(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.2215e-01 1.Q39 HB2 = 2.217(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.0413e-01 1.Q39 HB3 = 2.111(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.4518e-01 1.Q39 HG2 = 1.804(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.5990e-02 1.Q39 HG3 = 1.584(D), Expected = 2.29, Std = 0.2900, ChiSquare = 1.4913e-02 1.Q39 HE21 = 7.272(D), Expected = 7.24, Std = 0.4500, ChiSquare = 9.4331e-01 1.Q39 HE22 = 6.713(D), Expected = 7.02, Std = 0.4400, ChiSquare = 4.8535e-01 1.Q39 N = 116.531(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.5079e-01 1.Q39 NE2 = 110.797(D), Expected = 111.87, Std = 1.7200, ChiSquare = 5.3273e-01 1.C40 CA = 54.413(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.4310e-01 1.C40 CB = 40.902(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.6161e-01 1.C40 H = 8.536(D), Expected = 8.39, Std = 0.6700, ChiSquare = 8.2750e-01 1.C40 HA = 5.549(D), Expected = 4.66, Std = 0.5500, ChiSquare = 1.0602e-01 1.C40 HB2 = 3.271(D), Expected = 2.96, Std = 0.4400, ChiSquare = 4.7968e-01 1.C40 HB3 = 2.691(D), Expected = 2.89, Std = 0.4600, ChiSquare = 6.6530e-01 1.C40 N = 122.074(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.8155e-01 1.T41 CA = 60.550(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.1906e-01 1.T41 CB = 71.033(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.2407e-01 1.T41 CG2 = 21.495(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.6048e-01 1.T41 H = 9.779(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.3055e-02 1.T41 HA = 4.641(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.0611e-01 1.T41 HB = 4.254(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.9907e-01 1.T41 HG21 = 1.016(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.8980e-01 1.T41 HG22 = 1.016(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.8980e-01 1.T41 HG23 = 1.016(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.8980e-01 1.T41 N = 117.753(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.2331e-01 1.G42 CA = 44.015(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.1912e-01 1.G42 H = 8.247(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9839e-01 1.G42 HA2 = 4.401(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.4407e-01 1.G42 HA3 = 3.715(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.1707e-01 1.G42 N = 105.809(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.1844e-01 1.F43 CA = 60.196(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.1031e-01 1.F43 CB = 38.650(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.2143e-01 1.F43 CD1 = 131.577(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.9797e-01 1.F43 CE1 = 131.537(D), Expected = 130.71, Std = 1.3000, ChiSquare = 5.2468e-01 1.F43 CZ = 129.967(D), Expected = 129.21, Std = 1.4300, ChiSquare = 5.9655e-01 1.F43 H = 8.707(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.2985e-01 1.F43 HA = 4.298(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.6026e-01 1.F43 HB2 = 3.090(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.0782e-01 1.F43 HB3 = 2.837(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.1615e-01 1.F43 HD1 = 7.176(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.0826e-01 1.F43 HD2 = 7.176(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.0826e-01 1.F43 HE1 = 7.276(D), Expected = 7.08, Std = 0.3100, ChiSquare = 5.2722e-01 1.F43 HE2 = 7.276(D), Expected = 7.08, Std = 0.3200, ChiSquare = 5.4021e-01 1.F43 HZ = 7.221(D), Expected = 7.00, Std = 0.4200, ChiSquare = 5.9876e-01 1.F43 N = 123.293(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.9641e-01 1.L44 CB = 40.386(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.0612e-01 1.L44 CG = 27.472(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.2929e-01 1.L44 CD1 = 25.609(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.7608e-01 1.L44 CD2 = 22.119(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.5601e-01 1.L44 H = 8.645(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.2317e-01 1.L44 HA = 3.848(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.1526e-01 1.L44 HB2 = 1.518(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.8671e-01 1.L44 HB3 = 1.387(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.1180e-01 1.L44 HG = 1.245(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.2196e-01 1.L44 HD11 = 0.619(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3989e-01 1.L44 HD12 = 0.619(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3989e-01 1.L44 HD13 = 0.619(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.3989e-01 1.L44 HD21 = 0.508(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4396e-01 1.L44 HD22 = 0.508(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4396e-01 1.L44 HD23 = 0.508(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.4396e-01 1.L44 N = 120.771(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8007e-01 1.G45 CA = 47.311(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.4335e-01 1.G45 H = 7.831(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.4267e-01 1.G45 HA2 = 3.563(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.7133e-01 1.G45 HA3 = 3.162(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.6087e-02 1.G45 N = 107.545(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.8294e-01 1.T46 CA = 62.180(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.8768e-01 1.T46 CB = 70.021(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.5831e-01 1.T46 CG2 = 21.959(D), Expected = 21.55, Std = 1.1100, ChiSquare = 7.1252e-01 1.T46 H = 6.823(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.2284e-02 1.T46 HA = 3.901(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.4419e-01 1.T46 HB = 4.269(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.6418e-01 1.T46 HG21 = 1.011(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.7489e-01 1.T46 HG22 = 1.011(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.7489e-01 1.T46 HG23 = 1.011(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.7489e-01 1.T46 N = 104.485(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.1329e-02 1.T47 CA = 62.843(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.0991e-01 1.T47 CB = 70.176(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.8438e-01 1.T47 CG2 = 21.391(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.8610e-01 1.T47 H = 8.763(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.9892e-01 1.T47 HA = 4.371(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.5290e-01 1.T47 HB = 3.771(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.2663e-01 1.T47 HG21 = 0.983(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.9485e-01 1.T47 HG22 = 0.983(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.9485e-01 1.T47 HG23 = 0.983(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.9485e-01 1.T47 N = 123.300(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.7126e-02 1.C48 CA = 55.984(D), Expected = 58.30, Std = 3.3300, ChiSquare = 4.8674e-01 1.C48 CB = 36.282(D), Expected = 32.49, Std = 6.0100, ChiSquare = 5.2807e-01 1.C48 H = 9.276(D), Expected = 8.39, Std = 0.6700, ChiSquare = 1.8604e-01 1.C48 HA = 4.973(D), Expected = 4.66, Std = 0.5500, ChiSquare = 5.6929e-01 1.C48 HB2 = 2.998(D), Expected = 2.96, Std = 0.4400, ChiSquare = 9.3118e-01 1.C48 HB3 = 2.921(D), Expected = 2.89, Std = 0.4600, ChiSquare = 9.4627e-01 1.C48 N = 128.024(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.0518e-02 1.T49 CA = 61.871(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.9281e-01 1.T49 CB = 69.789(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.7113e-01 1.T49 CG2 = 21.671(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.1320e-01 1.T49 H = 9.194(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.2388e-01 1.T49 HA = 4.364(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.4148e-01 1.T49 HB = 3.878(D), Expected = 4.17, Std = 0.3300, ChiSquare = 3.7624e-01 1.T49 HG21 = 1.061(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.3124e-01 1.T49 HG22 = 1.061(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.3124e-01 1.T49 HG23 = 1.061(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.3124e-01 1.T49 N = 131.810(S), Expected = 115.42, Std = 4.7500, ChiSquare = 5.5949e-04 1.C50 CA = 51.880(D), Expected = 58.30, Std = 3.3300, ChiSquare = 5.3864e-02 1.C50 CB = 34.934(D), Expected = 32.49, Std = 6.0100, ChiSquare = 6.8426e-01 1.C50 H = 8.879(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.6548e-01 1.C50 HA = 5.035(D), Expected = 4.66, Std = 0.5500, ChiSquare = 4.9535e-01 1.C50 HB2 = 2.884(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.6287e-01 1.C50 HB3 = 3.157(D), Expected = 2.89, Std = 0.4600, ChiSquare = 5.6162e-01 1.C50 N = 123.835(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.2960e-01 1.I51 CA = 59.619(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.5754e-01 1.I51 CB = 39.380(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.1042e-01 1.I51 CG1 = 26.813(D), Expected = 27.71, Std = 1.6800, ChiSquare = 5.9339e-01 1.I51 CG2 = 16.136(D), Expected = 17.53, Std = 1.3600, ChiSquare = 3.0536e-01 1.I51 CD1 = 11.167(D), Expected = 13.43, Std = 1.6700, ChiSquare = 1.7539e-01 1.I51 H = 8.098(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.8897e-01 1.I51 HA = 4.143(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.4732e-01 1.I51 HB = 1.066(D), Expected = 1.78, Std = 0.2900, ChiSquare = 1.3814e-02 1.I51 HG12 = 1.220(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.8076e-01 1.I51 HG13 = 1.015(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.6950e-01 1.I51 HG21 = 1.011(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7208e-01 1.I51 HG22 = 1.011(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7208e-01 1.I51 HG23 = 1.011(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.7208e-01 1.I51 HD11 = 0.531(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0740e-01 1.I51 HD12 = 0.531(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0740e-01 1.I51 HD13 = 0.531(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0740e-01 1.I51 N = 123.986(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.5507e-01 1.N52 CA = 52.891(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.2993e-01 1.N52 CB = 37.913(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.4569e-01 1.N52 H = 8.323(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.7847e-01 1.N52 HA = 4.716(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.9833e-01 1.N52 HB2 = 2.668(D), Expected = 2.81, Std = 0.3100, ChiSquare = 6.4691e-01 1.N52 HB3 = 2.525(D), Expected = 2.75, Std = 0.3300, ChiSquare = 4.9535e-01 1.N52 HD21 = 7.435(D), Expected = 7.35, Std = 0.4800, ChiSquare = 8.5944e-01 1.N52 HD22 = 6.760(D), Expected = 7.14, Std = 0.4900, ChiSquare = 4.3804e-01 1.N52 N = 126.122(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.4324e-02 1.N52 ND2 = 111.646(D), Expected = 112.75, Std = 2.2300, ChiSquare = 6.2055e-01 1.P53 CA = 63.033(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.4508e-01 1.P53 CB = 35.860(S), Expected = 31.85, Std = 1.1800, ChiSquare = 6.7805e-04 1.P53 CG = 25.454(D), Expected = 27.17, Std = 1.0900, ChiSquare = 1.1542e-01 1.P53 CD = 51.623(D), Expected = 50.32, Std = 0.9900, ChiSquare = 1.8812e-01 1.P53 HA = 4.307(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.7808e-01 1.P53 HB2 = 2.396(D), Expected = 2.08, Std = 0.3500, ChiSquare = 3.6660e-01 1.P53 HB3 = 1.983(D), Expected = 2.00, Std = 0.3600, ChiSquare = 9.6234e-01 1.P53 HG2 = 1.915(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.6141e-01 1.P53 HG3 = 1.792(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.4346e-01 1.P53 HD2 = 3.578(D), Expected = 3.65, Std = 0.3500, ChiSquare = 8.3701e-01 1.P53 HD3 = 3.503(D), Expected = 3.61, Std = 0.3900, ChiSquare = 7.8381e-01 1.C54 CA = 54.150(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.1267e-01 1.C54 CB = 46.154(D), Expected = 32.49, Std = 6.0100, ChiSquare = 2.2993e-02 1.C54 H = 8.865(D), Expected = 8.39, Std = 0.6700, ChiSquare = 4.7835e-01 1.C54 HA = 5.736(D), Expected = 4.66, Std = 0.5500, ChiSquare = 5.0422e-02 1.C54 HB2 = 3.068(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.0610e-01 1.C54 HB3 = 2.617(D), Expected = 2.89, Std = 0.4600, ChiSquare = 5.5286e-01 1.C54 N = 123.090(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.2915e-01 1.P55 CA = 62.258(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.8065e-01 1.P55 CB = 32.450(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.1112e-01 1.P55 CG = 27.369(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.5514e-01 1.P55 CD = 50.457(D), Expected = 50.32, Std = 0.9900, ChiSquare = 8.8994e-01 1.P55 HA = 4.286(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.2975e-01 1.P55 HB2 = 2.151(D), Expected = 2.08, Std = 0.3500, ChiSquare = 8.3925e-01 1.P55 HB3 = 1.879(D), Expected = 2.00, Std = 0.3600, ChiSquare = 7.3679e-01 1.P55 HG2 = 1.875(D), Expected = 1.93, Std = 0.3100, ChiSquare = 8.5918e-01 1.P55 HG3 = 1.772(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.9811e-01 1.P55 HD2 = 4.219(D), Expected = 3.65, Std = 0.3500, ChiSquare = 1.0401e-01 1.P55 HD3 = 3.014(D), Expected = 3.61, Std = 0.3900, ChiSquare = 1.2646e-01 1.R56 CA = 56.121(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.7875e-01 1.R56 CB = 30.539(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.2989e-01 1.R56 CG = 27.355(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.0382e-01 1.R56 CD = 42.891(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.5985e-01 1.R56 H = 7.902(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.7951e-01 1.R56 HA = 4.485(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.8756e-01 1.R56 HB2 = 1.801(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.6750e-01 1.R56 HB3 = 1.662(D), Expected = 1.76, Std = 0.2800, ChiSquare = 7.2634e-01 1.R56 HG2 = 1.680(D), Expected = 1.57, Std = 0.2700, ChiSquare = 6.8371e-01 1.R56 HG3 = 1.566(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.2856e-01 1.R56 HD2 = 3.105(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.5016e-01 1.R56 HD3 = 3.105(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.8466e-01 1.R56 HE = 7.149(D), Expected = 7.40, Std = 0.6300, ChiSquare = 6.9033e-01 1.R56 N = 117.289(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.4005e-01 1.R56 NE = 84.459(D), Expected = 84.63, Std = 1.6800, ChiSquare = 9.1893e-01 1.C57 CA = 56.590(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.0759e-01 1.C57 CB = 47.191(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.4442e-02 1.C57 H = 7.780(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.6259e-01 1.C57 HA = 4.397(D), Expected = 4.66, Std = 0.5500, ChiSquare = 6.3252e-01 1.C57 HB2 = 3.051(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.3615e-01 1.C57 HB3 = 3.156(D), Expected = 2.89, Std = 0.4600, ChiSquare = 5.6309e-01 1.C57 N = 124.031(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.0535e-01