Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.988(D) CA :: 63.147(D) CB :: 32.311(D) CG :: 27.113(D) CD :: 49.653(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 :: 4.455(D) HB2 :: 2.308(D) HB3 :: 1.942(D) HG2 :: 1.996(D) HG3 :: 1.996(D) HD2 :: 3.553(D) HD3 :: 3.553(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.L3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.65 C 0.28 R 0.02 A 0.01 G 0.01 HN Overlap>> 1.L159 1.L159 C Shift Assignments>> C :: 177.869(D) CA :: 55.413(D) CB :: 42.221(D) CG :: 26.823(D) CD1 :: 24.868(D) CD2 :: 23.549(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 :: 8.522(D) HA :: 4.317(D) HB2 :: 1.643(D) HB3 :: 1.601(D) HG :: 1.640(D) HD11 :: 0.923(D) HD12 :: 0.923(D) HD13 :: 0.923(D) HD21 :: 0.875(D) HD22 :: 0.875(D) HD23 :: 0.875(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.438(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> C :: 173.796(D) CA :: 45.025(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.401(D) HA2 :: 3.952(D) HA3 :: 3.955(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.871(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.800(D) CA :: 56.425(D) CB :: 63.383(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.139(D) HA :: 4.769(D) HB2 :: 3.846(D) HB3 :: 3.846(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 :: 116.963(D) Ave N Shift Values>> N :: 116.28(3.52) 1.P6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.607(D) CA :: 63.427(D) CB :: 32.057(D) CG :: 27.384(D) CD :: 50.710(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 :: 4.373(D) HB2 :: 1.799(D) HB3 :: 2.224(D) HG2 :: 1.983(D) HG3 :: 1.986(D) HD2 :: 3.803(D) HD3 :: 3.703(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.E7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.4 C 0.34 M 0.12 Q 0.05 K 0.04 I 0.02 C Shift Assignments>> C :: 175.801(D) CA :: 56.660(D) CB :: 30.522(D) CG :: 36.252(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.335(D) HA :: 4.123(D) HB2 :: 1.809(D) HB3 :: 1.810(D) HG2 :: 2.140(D) HG3 :: 2.020(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.450(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.57 C 0.42 C Shift Assignments>> C :: 173.863(D) CA :: 55.477(D) CB :: 39.377(D) CD1 :: 132.160(D) CD2 :: 132.160(D) CE1 :: 131.264(D) CE2 :: 131.264(D) CZ :: 131.949(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 :: 8.195(D) HA :: 4.890(D) HB2 :: 2.936(D) HB3 :: 3.125(D) HD1 :: 7.270(D) HD2 :: 7.270(D) HE1 :: 7.331(D) HE2 :: 7.331(D) HZ :: 7.437(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.154(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.464(D) CA :: 63.635(D) CB :: 31.976(D) CG :: 27.400(D) CD :: 50.655(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 :: 4.395(D) HB2 :: 2.234(D) HB3 :: 1.938(D) HG2 :: 1.969(D) HG3 :: 1.973(D) HD2 :: 3.707(D) HD3 :: 3.530(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.G10 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 C Shift Assignments>> C :: 173.949(D) CA :: 45.408(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.242(D) HA2 :: 3.924(D) HA3 :: 3.924(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.998(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.49 C 0.39 G 0.1 HN Overlap>> 1.A121 1.A121 C Shift Assignments>> C :: 176.237(D) CA :: 56.136(D) CB :: 31.003(D) CG :: 27.052(D) CD :: 43.675(D) CZ :: 159.01(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 :: 8.062(D) HA :: 4.363(D) HB2 :: 1.760(D) HB3 :: 1.889(D) HG2 :: 1.645(D) HG3 :: 1.645(D) HD2 :: 3.170(D) HD3 :: 3.170(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 :: 120.740(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.K12 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.43 G 0.37 R 0.18 C Shift Assignments>> C :: 176.054(D) CA :: 56.258(D) CB :: 32.567(D) CG :: 26.364(D) CD :: 31.338(D) CE :: 44.850(S) 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 :: 8.741(D) HA :: 4.540(D) HB2 :: 1.757(D) HB3 :: 1.878(D) HG2 :: 1.672(D) HG3 :: 1.759(D) HD2 :: 1.868(D) HD3 :: 1.868(D) HE2 :: 3.225(D) HE3 :: 3.225(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.196(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.42 C 0.38 R 0.18 HN Overlap>> 1.L118 1.L118 C Shift Assignments>> C :: 179.204(D) CA :: 56.762(D) CB :: 33.439(D) CG :: 25.502(D) CD :: 29.272(D) CE :: 42.225(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 :: 8.043(D) HA :: 4.377(D) HB2 :: 1.649(D) HB3 :: 2.125(D) HG2 :: 1.496(D) HG3 :: 1.592(D) HD2 :: 1.700(D) HD3 :: 1.700(D) HE2 :: 2.975(D) HE3 :: 2.975(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.461(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E14 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.63 M 0.27 Q 0.08 C Shift Assignments>> C :: 179.517(D) CA :: 59.867(D) CB :: 33.485(D) CG :: 32.521(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 :: 8.986(D) HA :: 3.951(D) HB2 :: 2.150(D) HB3 :: 2.150(D) HG2 :: 1.877(D) HG3 :: 1.877(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.118(D) Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CG > CB : 0.9917) 1.F15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.37 Y 0.36 C 0.25 HN Overlap>> 1.Q101 1.V176 1.C163 1.Q101 1.V176 1.C163 C Shift Assignments>> C :: 178.647(D) CA :: 59.688(D) CB :: 38.403(D) CD1 :: 131.247(D) CD2 :: 131.247(D) CE1 :: 132.012(D) CE2 :: 132.012(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 :: 7.653(D) HA :: 4.517(D) HB2 :: 3.216(D) HB3 :: 3.374(D) HD1 :: 7.313(D) HD2 :: 7.313(D) HE1 :: 7.433(D) HE2 :: 7.433(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 :: 120.069(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 178.144(D) CA :: 65.319(D) CB :: 38.349(D) CG1 :: 28.037(D) CG2 :: 18.597(D) CD1 :: 15.517(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 :: 7.672(D) HA :: 3.676(D) HB :: 1.811(D) HG12 :: 1.652(D) HG13 :: 0.927(D) HG21 :: 0.961(D) HG22 :: 0.961(D) HG23 :: 0.961(D) HD11 :: 0.753(D) HD12 :: 0.753(D) HD13 :: 0.753(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 :: 123.007(D) Ave N Shift Values>> N :: 121.46(4.28) 1.M17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.44 C 0.43 A 0.11 HN Overlap>> 1.L79 1.L79 C Shift Assignments>> C :: 177.605(D) CA :: 56.471(D) CB :: 32.217(D) CG :: 32.325(D) CE :: 18.613(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 :: 8.146(D) HA :: 4.498(D) HB2 :: 2.372(D) HB3 :: 2.372(D) HG2 :: 1.884(D) HG3 :: 1.884(D) HE1 :: 1.986(D) HE2 :: 1.986(D) HE3 :: 1.986(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 :: 118.320(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 A 0.31 I 0.04 C 0.02 HN Overlap>> 1.K167 1.V89 1.K167 1.V89 C Shift Assignments>> C :: 180.103(D) CA :: 55.329(D) CB :: 17.823(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.927(D) HA :: 4.254(D) HB1 :: 1.565(D) HB2 :: 1.565(D) HB3 :: 1.565(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.333(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 E 0.28 I 0.28 K 0.03 C Shift Assignments>> C :: 180.471(D) CA :: 59.519(D) CB :: 29.021(D) CG :: 36.921(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.757(D) HA :: 4.289(D) HB2 :: 2.239(D) HB3 :: 2.239(D) HG2 :: 2.176(D) HG3 :: 2.176(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.070(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.71 L 0.22 R 0.04 C Shift Assignments>> C :: 177.392(D) CA :: 59.799(D) CB :: 41.230(D) CG :: 27.422(D) CD1 :: 23.663(D) CD2 :: 26.655(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 :: 8.845(D) HA :: 3.865(D) HB2 :: 2.689(D) HB3 :: 1.658(D) HG :: 1.786(D) HD11 :: 1.247(D) HD12 :: 1.247(D) HD13 :: 1.247(D) HD21 :: 1.146(D) HD22 :: 1.146(D) HD23 :: 1.146(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 :: 125.638(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.52 C 0.4 R 0.05 C Shift Assignments>> C :: 179.248(D) CA :: 58.143(D) CB :: 42.004(D) CG :: 27.203(D) CD1 :: 25.457(D) CD2 :: 23.923(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 :: 8.463(D) HA :: 4.081(D) HB2 :: 1.968(D) HB3 :: 1.574(D) HG :: 1.830(D) HD11 :: 0.910(D) HD12 :: 0.910(D) HD13 :: 0.910(D) HD21 :: 0.764(D) HD22 :: 0.764(D) HD23 :: 0.764(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 :: 117.761(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.54 Q 0.4 E 0.05 C Shift Assignments>> C :: 180.763(D) CA :: 59.762(D) CB :: 28.452(D) CG :: 33.722(D) CD :: 179.983(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.073(D) HA :: 4.093(D) HB2 :: 2.289(D) HB3 :: 2.200(D) HG2 :: 2.490(D) HG3 :: 2.602(D) HE21 :: 6.890(D) HE22 :: 7.486(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.261(D) NE2 :: 111.489(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T23 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>> C :: 177.970(D) CA :: 64.422(D) CB :: 69.422(D) CG2 :: 22.919(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 :: 8.729(D) HA :: 4.261(D) HB :: 4.244(D) HG1 :: 5.704(D) HG21 :: 1.558(D) HG22 :: 1.558(D) HG23 :: 1.558(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 :: 108.117(D) Ave N Shift Values>> N :: 115.42(4.75) 1.E24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.4 I 0.25 E 0.19 K 0.08 Q 0.05 C Shift Assignments>> C :: 177.919(D) CA :: 60.280(D) CB :: 28.210(D) CG :: 35.617(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 :: 8.133(D) HA :: 4.209(D) HB2 :: 2.290(D) HB3 :: 2.290(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 :: 129.474(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 K 0.2 R 0.12 P 0.1 Q 0.02 V 0.01 HN Overlap>> 1.H189 1.H189 1.I64 1.I64 C Shift Assignments>> C :: 179.674(D) CA :: 60.462(D) CB :: 32.425(D) CG :: 25.914(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 :: 8.101(D) HA :: 3.928(D) HB2 :: 1.930(D) HB3 :: 1.940(D) HG2 :: 1.516(D) HG3 :: 1.516(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.771(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.52 M 0.4 C 0.03 I 0.02 C Shift Assignments>> C :: 177.730(D) CA :: 54.874(D) CB :: 18.641(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.724(D) HA :: 4.096(D) HB1 :: 1.510(D) HB2 :: 1.510(D) HB3 :: 1.510(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.754(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 176.860(D) CA :: 59.650(D) CB :: 38.726(D) CD1 :: 132.165(D) CD2 :: 132.165(D) CE1 :: 117.405(D) CE2 :: 117.405(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 :: 7.892(D) HA :: 4.662(D) HB2 :: 3.231(D) HB3 :: 3.172(D) HD1 :: 6.545(D) HD2 :: 6.545(D) HE1 :: 5.001(S) HE2 :: 5.001(S) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.893(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 177.620(D) CA :: 67.832(D) CB :: 32.123(D) CG1 :: 23.803(D) CG2 :: 22.704(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 :: 8.178(D) HA :: 3.377(D) HB :: 2.187(D) HG11 :: 1.127(D) HG12 :: 1.127(D) HG13 :: 1.127(D) HG21 :: 1.056(D) HG22 :: 1.056(D) HG23 :: 1.056(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 :: 117.189(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.45 R 0.41 G 0.07 K 0.04 C Shift Assignments>> C :: 178.950(D) CA :: 59.487(D) CB :: 29.676(D) CG :: 26.890(D) CD :: 43.400(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 :: 7.633(D) HA :: 4.193(D) HB2 :: 1.994(D) HB3 :: 2.106(D) HG2 :: 1.885(D) HG3 :: 1.654(D) HD2 :: 3.278(D) HD3 :: 3.215(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.556(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.D30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.22 L 0.12 K 0.1 C 0.1 D 0.09 I 0.05 N 0.01 C Shift Assignments>> C :: 178.751(D) CA :: 57.692(D) CB :: 40.791(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 :: 8.851(D) HA :: 4.616(D) HB2 :: 3.159(D) HB3 :: 3.173(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 :: 121.604(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.62 L 0.28 R 0.03 G 0.03 A 0.01 C Shift Assignments>> C :: 178.461(D) CA :: 58.380(D) CB :: 42.479(D) CG :: 26.386(D) CD1 :: 21.441(D) CD2 :: 24.947(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 :: 8.525(D) HA :: 3.822(D) HB2 :: 2.063(D) HB3 :: 1.131(D) HG :: 1.507(D) HD11 :: 0.636(D) HD12 :: 0.636(D) HD13 :: 0.636(D) HD21 :: 0.347(D) HD22 :: 0.347(D) HD23 :: 0.347(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.665(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.38 C 0.32 H 0.28 C Shift Assignments>> C :: 176.393(D) CA :: 59.278(D) CB :: 28.562(D) CD2 :: 119.793(D) CE1 :: 136.758(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 :: 8.309(D) HA :: 3.411(D) HB2 :: 3.332(D) HB3 :: 3.389(D) HD2 :: 6.932(D) HE1 :: 8.215(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 :: 117.450(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.44 E 0.32 I 0.17 M 0.02 K 0.02 C Shift Assignments>> C :: 178.813(D) CA :: 59.455(D) CB :: 30.159(D) CG :: 37.040(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 :: 8.345(D) HA :: 3.840(D) HB2 :: 2.230(D) HB3 :: 2.232(D) HG2 :: 2.155(D) HG3 :: 2.347(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.608(D) Ave N Shift Values>> N :: 120.67(3.48) 1.C34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 P 0.38 C 0.15 R 0.01 W 0.01 K 0.01 HN Overlap>> 1.E78 1.E78 C Shift Assignments>> C :: 176.085(D) CA :: 62.578(D) CB :: 26.313(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.742(D) HA :: 3.435(D) HB2 :: 2.512(D) HB3 :: 3.284(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 :: 119.394(D) Ave N Shift Values>> N :: 120.17(4.64) 1.L35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.55 C 0.43 HN Overlap>> 1.C92 1.C92 C Shift Assignments>> C :: 179.634(D) CA :: 57.669(D) CB :: 40.745(D) CG :: 26.717(D) CD1 :: 24.049(D) CD2 :: 25.434(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 :: 7.761(D) HA :: 3.830(D) HB2 :: 1.716(D) HB3 :: 1.263(D) HG :: 1.678(D) HD11 :: 0.579(D) HD12 :: 0.579(D) HD13 :: 0.579(D) HD21 :: 0.402(D) HD22 :: 0.402(D) HD23 :: 0.402(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.329(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.38 C 0.34 K 0.07 M 0.07 Q 0.06 I 0.04 C Shift Assignments>> C :: 175.283(D) CA :: 57.674(D) CB :: 30.081(D) CG :: 36.091(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.949(D) HA :: 3.928(D) HB2 :: 1.725(D) HB3 :: 1.580(D) HG2 :: 1.807(D) HG3 :: 1.680(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.891(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.800(D) CA :: 61.157(D) CB :: 69.155(D) CG2 :: 20.915(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 :: 7.147(D) HA :: 3.961(D) HB :: 2.910(S) HG21 :: 0.537(D) HG22 :: 0.537(D) HG23 :: 0.537(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 :: 108.580(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.68 C 0.31 C Shift Assignments>> C :: 176.199(D) CA :: 62.732(D) CB :: 38.551(D) CD1 :: 132.307(D) CD2 :: 132.307(D) CE1 :: 118.537(D) CE2 :: 118.537(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 :: 8.323(D) HA :: 4.382(D) HB2 :: 3.105(D) HB3 :: 3.173(D) HD1 :: 7.135(D) HD2 :: 7.135(D) HE1 :: 7.043(D) HE2 :: 7.043(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.105(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L39 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.57 L 0.42 C Shift Assignments>> C :: 178.555(D) CA :: 58.423(D) CB :: 39.932(D) CG :: 26.785(D) CD1 :: 26.380(D) CD2 :: 23.313(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 :: 7.244(D) HA :: 3.839(D) HB2 :: 2.002(D) HB3 :: 0.065(S) HG :: 1.195(D) HD11 :: 0.621(D) HD12 :: 0.621(D) HD13 :: 0.621(D) HD21 :: 0.375(D) HD22 :: 0.375(D) HD23 :: 0.375(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.969(D) Ave N Shift Values>> N :: 121.86(3.9) 1.W40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.6 C 0.39 C Shift Assignments>> C :: 177.954(D) CA :: 61.281(D) CB :: 29.278(D) CD1 :: 126.758(D) CE3 :: 120.313(D) CZ2 :: 114.573(D) CZ3 :: 121.822(D) CH2 :: 124.340(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 6.889(D) HA :: 3.959(D) HB2 :: 3.204(D) HB3 :: 2.959(D) HD1 :: 7.132(D) HE1 :: 10.024(D) HE3 :: 7.328(D) HZ2 :: 7.386(D) HZ3 :: 7.121(D) HH2 :: 7.170(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.534(D) NE1 :: 129.179(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.35 E 0.3 I 0.2 K 0.08 Q 0.04 HN Overlap>> 1.L142 1.L142 C Shift Assignments>> C :: 179.355(D) CA :: 59.643(D) CB :: 28.996(D) CG :: 36.073(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 :: 8.311(D) HA :: 3.915(D) HB2 :: 2.980(S) HB3 :: 2.168(D) HG2 :: 2.794(D) HG3 :: 2.409(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 :: 114.926(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.88 M 0.11 C Shift Assignments>> C :: 176.916(D) CA :: 59.801(D) CB :: 33.123(D) CG :: 34.366(D) CE :: 18.746(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 :: 7.610(D) HA :: 4.386(D) HB2 :: 2.520(D) HB3 :: 2.527(D) HG2 :: 3.125(D) HG3 :: 2.725(D) HE1 :: 2.204(D) HE2 :: 2.204(D) HE3 :: 2.204(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 :: 115.739(D) Ave N Shift Values>> N :: 120.09(3.57) 1.T43 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>> C :: 177.129(D) CA :: 63.303(D) CB :: 69.854(D) CG2 :: 21.377(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 :: 8.007(D) HA :: 4.230(D) HB :: 4.193(D) HG21 :: 1.160(D) HG22 :: 1.160(D) HG23 :: 1.160(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 :: 107.819(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.175(D) CA :: 58.922(D) CB :: 64.384(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.190(D) HA :: 4.283(D) HB2 :: 3.075(D) HB3 :: 2.217(S) 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 :: 116.046(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G45 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 :: 174.569(D) CA :: 45.313(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.329(D) HA2 :: 3.891(D) HA3 :: 4.084(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.939(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 177.080(D) CA :: 62.178(D) CB :: 32.431(D) CG1 :: 21.142(D) CG2 :: 19.655(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 :: 8.354(D) HA :: 4.319(D) HB :: 2.334(D) HG11 :: 0.928(D) HG12 :: 0.928(D) HG13 :: 0.928(D) HG21 :: 0.896(D) HG22 :: 0.896(D) HG23 :: 0.896(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.273(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.36 C 0.27 Q 0.13 K 0.11 M 0.09 I 0.01 C Shift Assignments>> C :: 176.523(D) CA :: 55.517(D) CB :: 29.927(D) CG :: 35.726(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 :: 8.264(D) HA :: 4.377(D) HB2 :: 1.991(D) HB3 :: 2.215(D) HG2 :: 2.338(D) HG3 :: 2.340(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.466(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.4 C 0.33 K 0.09 Q 0.06 M 0.05 I 0.04 HN Overlap>> 1.E165 1.E165 C Shift Assignments>> C :: 175.575(D) CA :: 56.752(D) CB :: 29.675(D) CG :: 36.246(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 :: 8.582(D) HA :: 4.125(D) HB2 :: 1.958(D) HB3 :: 1.958(D) HG2 :: 2.250(D) HG3 :: 2.250(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.193(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.51 C 0.47 A 0.01 C Shift Assignments>> C :: 173.927(D) CA :: 58.058(D) CB :: 39.372(D) CG1 :: 27.927(D) CG2 :: 16.761(D) CD1 :: 13.873(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 :: 8.136(D) HA :: 3.703(D) HB :: 1.578(D) HG12 :: 1.549(D) HG13 :: 0.996(D) HG21 :: 0.545(D) HG22 :: 0.545(D) HG23 :: 0.545(D) HD11 :: 0.893(D) HD12 :: 0.893(D) HD13 :: 0.893(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 :: 127.963(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> C 0.93 P 0.06 C Shift Assignments>> CA :: 62.375(D) CB :: 34.603(D) CG :: 24.760(D) CD :: 50.187(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 :: 4.518(D) HB2 :: 2.363(D) HB3 :: 2.125(D) HG2 :: 1.956(D) HG3 :: 1.800(D) HD2 :: 3.586(D) HD3 :: 3.586(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.P51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 178.934(D) CA :: 65.035(D) CB :: 31.899(D) CG :: 27.578(D) CD :: 50.718(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 :: 4.097(D) HB2 :: 1.942(D) HB3 :: 2.358(D) HG2 :: 2.087(D) HG3 :: 2.090(D) HD2 :: 3.854(D) HD3 :: 3.854(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.G52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.879(D) CA :: 45.744(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.913(D) HA2 :: 3.799(D) HA3 :: 3.497(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.005(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I53 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 173.750(D) CA :: 60.359(D) CB :: 38.848(D) CG1 :: 26.143(D) CG2 :: 18.245(D) CD1 :: 14.529(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 :: 7.372(D) HA :: 4.508(D) HB :: 2.065(D) HG12 :: 0.992(D) HG13 :: 0.848(D) HG21 :: 0.671(D) HG22 :: 0.671(D) HG23 :: 0.671(D) HD11 :: 0.539(D) HD12 :: 0.539(D) HD13 :: 0.539(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 :: 106.751(S) Ave N Shift Values>> N :: 121.46(4.28) 1.L54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.57 C 0.35 R 0.05 C Shift Assignments>> C :: 177.314(D) CA :: 56.769(D) CB :: 42.087(D) CG :: 26.537(D) CD1 :: 23.668(D) CD2 :: 25.676(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 :: 6.757(D) HA :: 3.832(D) HB2 :: 1.275(D) HB3 :: 1.637(D) HG :: 1.522(D) HD11 :: 0.900(D) HD12 :: 0.900(D) HD13 :: 0.900(D) HD21 :: 0.897(D) HD22 :: 0.897(D) HD23 :: 0.897(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.295(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.48 N 0.28 D 0.12 E 0.08 Q 0.01 C Shift Assignments>> C :: 176.345(D) CA :: 55.628(D) CB :: 37.222(D) CG :: 178.492(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 :: 9.823(D) HA :: 4.908(D) HB2 :: 3.175(D) HB3 :: 3.068(D) HD21 :: 7.015(D) HD22 :: 7.786(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 :: 119.980(D) ND2 :: 112.834(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.43 C 0.34 R 0.19 G 0.02 C Shift Assignments>> C :: 178.518(D) CA :: 55.577(D) CB :: 31.968(D) CG :: 24.891(D) CD :: 29.301(D) CE :: 42.678(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.994(D) HA :: 4.912(D) HB2 :: 2.054(D) HB3 :: 2.067(D) HG2 :: 1.105(D) HG3 :: 1.356(D) HD2 :: 1.579(D) HD3 :: 1.579(D) HE2 :: 2.916(D) HE3 :: 2.917(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.668(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.47 I 0.2 Q 0.09 K 0.09 E 0.08 R 0.02 P 0.01 C Shift Assignments>> C :: 177.572(D) CA :: 60.867(D) CB :: 27.839(D) CG :: 34.784(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 :: 11.119(S) HA :: 4.254(D) HB2 :: 2.091(D) HB3 :: 2.182(D) HG2 :: 2.467(D) HG3 :: 2.467(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 :: 125.277(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.35 C 0.33 H 0.31 C Shift Assignments>> C :: 177.299(D) CA :: 58.626(D) CB :: 28.792(D) CD2 :: 119.031(D) CE1 :: 138.860(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 :: 8.979(D) HA :: 4.707(D) HB2 :: 3.109(D) HB3 :: 3.197(D) HD2 :: 7.066(D) HE1 :: 8.043(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.871(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 177.791(D) CA :: 62.376(D) CB :: 37.493(D) CG2 :: 17.925(D) CD1 :: 12.100(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 :: 7.010(D) HA :: 3.986(D) HB :: 1.704(D) HG21 :: 0.745(D) HG22 :: 0.745(D) HG23 :: 0.745(D) HD11 :: 0.743(D) HD12 :: 0.743(D) HD13 :: 0.743(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 :: 121.148(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.871(D) CA :: 64.828(D) CB :: 38.859(D) CG1 :: 29.724(D) CG2 :: 16.420(D) CD1 :: 13.854(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 :: 7.717(D) HA :: 3.352(D) HB :: 1.542(D) HG12 :: 1.765(D) HG13 :: 0.922(D) HG21 :: -0.181(S) HG22 :: -0.181(S) HG23 :: -0.181(S) HD11 :: 0.977(D) HD12 :: 0.977(D) HD13 :: 0.977(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.844(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 174.823(D) CA :: 59.508(D) CB :: 38.531(D) CD1 :: 132.360(D) CD2 :: 132.360(D) CE1 :: 131.212(D) CE2 :: 131.212(D) CZ :: 129.258(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 :: 8.557(D) HA :: 4.204(D) HB2 :: 3.360(D) HB3 :: 3.008(D) HD1 :: 7.464(D) HD2 :: 7.464(D) HE1 :: 7.333(D) HE2 :: 7.333(D) HZ :: 6.904(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 :: 113.329(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.73 C 0.09 P 0.05 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 173.787(D) CA :: 47.628(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.789(D) HA2 :: 3.779(D) HA3 :: 3.998(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.394(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.3 C 0.27 M 0.17 E 0.09 K 0.04 Q 0.04 Y 0.03 F 0.01 C Shift Assignments>> C :: 176.634(D) CA :: 52.386(D) CB :: 35.828(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 :: 8.855(D) HA :: 5.220(D) HB2 :: 3.353(D) HB3 :: 2.682(D) HD21 :: 7.289(D) HD22 :: 7.943(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.618(D) ND2 :: 108.101(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.75 C 0.24 HN Overlap>> 1.H189 1.K25 1.H189 1.K25 C Shift Assignments>> C :: 175.978(D) CA :: 66.366(D) CB :: 38.093(D) CG1 :: 31.084(D) CG2 :: 18.493(D) CD1 :: 14.279(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 :: 8.086(D) HA :: 3.844(D) HB :: 2.629(D) HG12 :: 1.343(D) HG13 :: 1.389(D) HG21 :: 1.137(D) HG22 :: 1.137(D) HG23 :: 1.137(D) HD11 :: 1.040(D) HD12 :: 1.040(D) HD13 :: 1.040(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.817(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.52 Q 0.39 E 0.08 C Shift Assignments>> C :: 176.995(D) CA :: 59.713(D) CB :: 28.677(D) CG :: 34.123(D) CD :: 179.702(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.177(D) HA :: 3.972(D) HB2 :: 2.037(D) HB3 :: 2.087(D) HG2 :: 2.268(D) HG3 :: 2.390(D) HE21 :: 7.930(D) HE22 :: 6.770(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 :: 122.174(D) NE2 :: 114.295(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.4 E 0.33 I 0.2 K 0.03 M 0.01 HN Overlap>> 1.Q101 1.Q101 1.V176 1.C163 1.V176 1.C163 C Shift Assignments>> C :: 179.930(D) CA :: 59.410(D) CB :: 29.681(D) CG :: 36.888(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.660(D) HA :: 4.194(D) HB2 :: 2.406(D) HB3 :: 2.215(D) HG2 :: 2.540(D) HG3 :: 2.422(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.183(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.87 C 0.12 HN Overlap>> 1.L85 1.L85 C Shift Assignments>> C :: 177.763(D) CA :: 66.377(D) CB :: 38.774(D) CG1 :: 29.878(D) CG2 :: 18.610(D) CD1 :: 12.494(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 :: 7.683(D) HA :: 3.911(D) HB :: 1.783(D) HG12 :: 1.703(D) HG13 :: 0.345(D) HG21 :: 0.941(D) HG22 :: 0.941(D) HG23 :: 0.941(D) HD11 :: 0.069(D) HD12 :: 0.069(D) HD13 :: 0.069(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 :: 122.514(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 176.231(D) CA :: 62.234(D) CB :: 38.061(D) CD1 :: 133.579(D) CD2 :: 133.579(D) CE1 :: 117.918(D) CE2 :: 117.918(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 :: 8.804(D) HA :: 3.931(D) HB2 :: 2.908(D) HB3 :: 3.135(D) HD1 :: 7.071(D) HD2 :: 7.071(D) HE1 :: 6.818(D) HE2 :: 6.818(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.420(D) Ave N Shift Values>> N :: 120.52(4.2) 1.D69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.24 C 0.11 L 0.11 D 0.09 I 0.06 K 0.06 N 0.01 C Shift Assignments>> C :: 178.330(D) CA :: 57.644(D) CB :: 40.479(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 :: 8.700(D) HA :: 3.949(D) HB2 :: 2.755(D) HB3 :: 2.590(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.528(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.4 Y 0.39 C 0.2 C Shift Assignments>> C :: 178.620(D) CA :: 60.225(D) CB :: 39.199(D) CD1 :: 132.005(D) CD2 :: 132.005(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 :: 7.825(D) HA :: 4.464(D) HB2 :: 3.256(D) HB3 :: 3.082(D) HD1 :: 6.729(D) HD2 :: 6.729(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 :: 118.974(D) Ave N Shift Values>> N :: 120.45(4.18) 1.H71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.55 W 0.42 H 0.02 C Shift Assignments>> C :: 175.816(D) CA :: 61.505(D) CB :: 28.575(D) CE1 :: 142.160(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 :: 8.312(D) HA :: 3.516(D) HB2 :: 3.131(D) HB3 :: 2.835(D) HE1 :: 8.768(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 :: 121.057(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.N72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.6 N 0.29 D 0.1 C Shift Assignments>> C :: 175.992(D) CA :: 56.248(D) CB :: 39.859(D) CG :: 174.688(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 :: 9.105(D) HA :: 4.230(D) HB2 :: 1.973(D) HB3 :: 1.708(D) HD21 :: 7.264(D) HD22 :: 6.586(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 :: 114.834(D) ND2 :: 114.690(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.58 D 0.26 C 0.15 C Shift Assignments>> C :: 175.986(D) CA :: 54.256(D) CB :: 39.242(D) CG :: 176.853(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 :: 8.141(D) HA :: 4.602(D) HB2 :: 2.909(D) HB3 :: 2.670(D) HD21 :: 7.098(D) HD22 :: 7.587(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 :: 110.825(D) ND2 :: 112.991(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 177.194(D) CA :: 62.939(D) CB :: 40.218(D) CG1 :: 27.384(D) CG2 :: 16.169(D) CD1 :: 13.130(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 :: 7.346(D) HA :: 3.953(D) HB :: 1.416(D) HG12 :: 1.241(D) HG13 :: 0.767(D) HG21 :: -0.393(S) HG22 :: -0.393(S) HG23 :: -0.393(S) HD11 :: 0.754(D) HD12 :: 0.754(D) HD13 :: 0.754(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.425(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> F 0.57 Y 0.22 C 0.19 C Shift Assignments>> C :: 176.275(D) CA :: 64.676(D) CB :: 39.720(D) CD1 :: 131.374(D) CD2 :: 131.374(D) CE1 :: 131.196 CE2 :: 131.196 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 :: 7.780(D) HA :: 3.332(D) HB2 :: 2.238(D) HB3 :: 1.092(S) HD1 :: 6.904(D) HD2 :: 6.904(D) HE1 :: 6.932(D) HE2 :: 6.932(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.152(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.69 L 0.3 C Shift Assignments>> C :: 177.501(D) CA :: 59.567(D) CB :: 40.248(D) CG :: 26.793(D) CD1 :: 26.861(D) CD2 :: 23.717(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 :: 8.434(D) HA :: 3.988(D) HB2 :: 1.689(D) HB3 :: 1.924(D) HG :: 0.929(D) HD11 :: 0.934(D) HD12 :: 0.934(D) HD13 :: 0.934(D) HD21 :: 0.916(D) HD22 :: 0.916(D) HD23 :: 0.916(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.095(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.42 K 0.41 R 0.14 C Shift Assignments>> C :: 179.666(D) CA :: 58.474(D) CB :: 31.848(D) CG :: 25.238(D) CD :: 28.974(D) CE :: 42.129(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.434(D) HA :: 4.015(D) HB2 :: 1.675(D) HB3 :: 1.676(D) HG2 :: 1.350(D) HG3 :: 1.350(D) HD2 :: 1.598(D) HD3 :: 1.598(D) HE2 :: 2.970(D) HE3 :: 2.971(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 :: 115.373(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 E 0.35 I 0.18 K 0.05 Q 0.01 M 0.01 HN Overlap>> 1.C34 1.C34 C Shift Assignments>> C :: 178.278(D) CA :: 58.859(D) CB :: 29.275(D) CG :: 36.683(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.645(D) HA :: 4.064(D) HB2 :: 2.068(D) HB3 :: 1.786(D) HG2 :: 2.209(D) HG3 :: 2.306(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.437(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.51 C 0.41 G 0.04 K 0.01 HN Overlap>> 1.M17 1.M17 C Shift Assignments>> C :: 180.302(D) CA :: 57.955(D) CB :: 42.889(D) CD1 :: 26.057(D) CD2 :: 23.193(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 :: 8.123(D) HA :: 3.866(D) HB2 :: 0.933(D) HB3 :: 1.838(D) HG :: 0.878(D) HD11 :: 0.669(D) HD12 :: 0.669(D) HD13 :: 0.669(D) HD21 :: 0.377(D) HD22 :: 0.377(D) HD23 :: 0.377(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.393(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.52 I 0.3 E 0.15 C Shift Assignments>> C :: 179.608(D) CA :: 59.875(D) CB :: 30.063(D) CG :: 38.068(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 :: 8.121(D) HA :: 3.742(D) HB2 :: 2.152(D) HB3 :: 1.957(D) HG2 :: 2.146(D) HG3 :: 2.619(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 :: 115.749(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.44 K 0.4 R 0.13 C Shift Assignments>> C :: 178.084(D) CA :: 58.765(D) CB :: 31.921(D) CG :: 25.227(D) CD :: 29.683(D) CE :: 42.241(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.509(D) HA :: 3.984(D) HB2 :: 1.897(D) HB3 :: 1.552(D) HG2 :: 1.683(D) HG3 :: 1.247(D) HD2 :: 1.667(D) HD3 :: 1.671(D) HE2 :: 2.919(D) HE3 :: 2.827(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.720(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 175.684(D) CA :: 58.829(D) CB :: 37.749(D) CD1 :: 133.474(D) CD2 :: 133.474(D) CE1 :: 118.386(D) CE2 :: 118.386(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 :: 7.968(D) HA :: 4.260(D) HB2 :: 3.506(D) HB3 :: 2.655(D) HD1 :: 7.339(D) HD2 :: 7.339(D) HE1 :: 6.801(D) HE2 :: 6.801(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 :: 117.076(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.42 E 0.26 I 0.21 K 0.04 Q 0.02 M 0.01 C Shift Assignments>> C :: 176.445(D) CA :: 60.838(D) CB :: 29.781(D) CG :: 35.981(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.345(D) HA :: 3.715(D) HB2 :: 1.991(D) HB3 :: 2.082(D) HG2 :: 2.164(D) HG3 :: 2.166(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.800(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.54 C 0.36 E 0.08 C Shift Assignments>> C :: 175.411(D) CA :: 55.122(D) CB :: 28.342(D) CG :: 33.932(D) CD :: 180.334(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 :: 8.445(D) HA :: 4.460(D) HB2 :: 2.411(D) HB3 :: 1.842(D) HG2 :: 2.358(D) HG3 :: 2.359(D) HE21 :: 7.616(D) HE22 :: 6.804(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 :: 110.747(D) NE2 :: 112.408(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.59 G 0.23 C 0.13 R 0.02 HN Overlap>> 1.I67 1.I67 C Shift Assignments>> C :: 173.432(D) CA :: 52.726(D) CB :: 43.840(D) CG :: 26.672(D) CD1 :: 24.490(D) CD2 :: 25.448(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 :: 7.682(D) HA :: 4.831(D) HB2 :: 1.935(D) HB3 :: 1.539(D) HG :: 1.531(D) HD11 :: 0.940(D) HD12 :: 0.940(D) HD13 :: 0.940(D) HD21 :: 0.917(D) HD22 :: 0.917(D) HD23 :: 0.917(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.488(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.510(D) CA :: 65.402(D) CB :: 32.582(D) CG :: 28.066(D) CD :: 49.948(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 :: 4.420(D) HB2 :: 1.689(D) HB3 :: 2.176(D) HG2 :: 1.858(D) HG3 :: 1.863(D) HD2 :: 3.676(D) HD3 :: 3.511(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.E87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 E 0.32 I 0.15 K 0.1 Q 0.06 C Shift Assignments>> C :: 176.950(D) CA :: 58.785(D) CB :: 28.680(D) CG :: 36.041(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.690(D) HA :: 4.203(D) HB2 :: 2.100(D) HB3 :: 2.107(D) HG2 :: 2.343(D) HG3 :: 2.344(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 :: 112.763(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.28 D 0.2 K 0.17 R 0.13 F 0.07 Y 0.05 C 0.04 N 0.02 C Shift Assignments>> C :: 177.007(D) CA :: 54.899(D) CB :: 42.298(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 :: 7.971(D) HA :: 5.128(D) HB2 :: 2.863(D) HB3 :: 3.201(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.571(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.51 V 0.48 HN Overlap>> 1.A18 1.A18 C Shift Assignments>> C :: 177.209(D) CA :: 64.235(D) CB :: 32.306(D) CG1 :: 24.631(D) CG2 :: 20.355(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 :: 7.861(D) HA :: 3.120(D) HB :: 2.172(D) HG11 :: 1.032(D) HG12 :: 1.032(D) HG13 :: 1.032(D) HG21 :: 0.896(D) HG22 :: 0.896(D) HG23 :: 0.896(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.333(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 C 0.09 L 0.04 P 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 175.184(D) CA :: 47.556(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.307(D) HA2 :: 3.752(D) HA3 :: 3.703(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.633(D) Ave N Shift Values>> N :: 109.67(3.87) 1.H91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.37 C 0.32 H 0.3 C Shift Assignments>> C :: 177.837(D) CA :: 59.283(D) CB :: 29.271(D) CD2 :: 120.643(D) CE1 :: 136.867(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 :: 8.077(D) HA :: 4.194(D) HB2 :: 3.510(D) HB3 :: 3.143(D) HD2 :: 7.329(D) HE1 :: 8.465(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 :: 117.587(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.4 P 0.36 C 0.13 W 0.03 R 0.01 HN Overlap>> 1.L35 1.L35 C Shift Assignments>> C :: 176.196(D) CA :: 62.543(D) CB :: 27.489(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.724(D) HA :: 4.271(D) HB2 :: 2.526(D) HB3 :: 2.678(D) HG :: 1.693(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 :: 118.390(D) Ave N Shift Values>> N :: 120.17(4.64) 1.F93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.76 C 0.23 C Shift Assignments>> C :: 175.651(D) CA :: 62.388(D) CB :: 39.965(D) CD1 :: 132.193(D) CD2 :: 132.193(D) CE1 :: 131.475(D) CE2 :: 131.475(D) CZ :: 129.056(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 :: 7.036(D) HA :: 4.137(D) HB2 :: 2.931(D) HB3 :: 2.808(D) HD1 :: 7.065(D) HD2 :: 7.065(D) HE1 :: 6.519(D) HE2 :: 6.519(D) HZ :: 6.806(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 :: 116.642(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 179.756(D) CA :: 66.503(D) CB :: 32.475(D) CG1 :: 21.142(D) CG2 :: 22.707(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 :: 7.576(D) HA :: 3.660(D) HB :: 1.916(D) HG11 :: 0.914(D) HG12 :: 0.914(D) HG13 :: 0.914(D) HG21 :: 0.951(D) HG22 :: 0.951(D) HG23 :: 0.951(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.012(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.695(D) CA :: 66.694(D) CB :: 69.134(D) CG2 :: 20.116(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 :: 8.162(D) HA :: 3.601(D) HB :: 3.780(D) HG21 :: 0.309(S) HG22 :: 0.309(S) HG23 :: 0.309(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.689(D) Ave N Shift Values>> N :: 115.42(4.75) 1.W96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 175.258(D) CA :: 56.020(D) CB :: 28.719(D) CD1 :: 128.341(D) CZ2 :: 115.390(D) CZ3 :: 120.302(D) CH2 :: 124.829(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.092(D) HA :: 4.992(D) HB2 :: 3.106(D) HB3 :: 3.818(D) HD1 :: 7.905(D) HE1 :: 10.658(D) HZ2 :: 7.441(D) HZ3 :: 7.638(D) HH2 :: 7.287(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 118.360(D) NE1 :: 129.395(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.A97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.23 C 0.18 V 0.16 L 0.14 M 0.14 T 0.09 I 0.02 C Shift Assignments>> C :: 180.545(D) CA :: 56.649(D) CB :: 20.471(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.211(D) HA :: 4.276(D) HB1 :: 1.673(D) HB2 :: 1.673(D) HB3 :: 1.673(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.544(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.25 C 0.12 D 0.11 L 0.11 I 0.05 K 0.03 N 0.02 C Shift Assignments>> C :: 180.100(D) CA :: 57.301(D) CB :: 40.197(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 :: 8.944(D) HA :: 4.439(D) HB2 :: 2.652(D) HB3 :: 2.652(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 :: 116.030(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K99 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> R 0.35 C 0.34 K 0.28 HN Overlap>> 1.D172 1.D172 C Shift Assignments>> C :: 179.033(D) CA :: 56.462(D) CB :: 30.542(D) CG :: 25.613(D) CD :: 27.924(D) CE :: 42.223(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.964(D) HA :: 3.953(D) HB2 :: 0.197(S) HB3 :: 1.559(D) HG2 :: 0.911(D) HG3 :: 0.914(D) HD2 :: 1.578(D) HD3 :: 1.192(D) HE2 :: 2.990(D) HE3 :: 2.840(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.775(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 177.373(D) CA :: 62.943(D) CB :: 37.416(D) CD1 :: 131.706(D) CD2 :: 131.706(D) CE1 :: 130.948(D) CE2 :: 130.948(D) CZ :: 130.021(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 :: 7.767(D) HA :: 4.300(D) HB2 :: 3.195(D) HB3 :: 3.049(D) HD1 :: 7.216(D) HD2 :: 7.216(D) HE1 :: 6.941(D) HE2 :: 6.941(D) HZ :: 6.121(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.143(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.51 Q 0.44 E 0.03 HN Overlap>> 1.F15 1.F15 1.E66 1.V176 1.C163 1.E66 1.V176 1.C163 C Shift Assignments>> C :: 178.715(D) CA :: 58.492(D) CB :: 27.716(D) CG :: 33.690(D) CD :: 179.724(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 :: 7.695(D) HA :: 4.236(D) HB2 :: 2.311(D) HB3 :: 2.268(D) HG2 :: 2.614(D) HG3 :: 2.615(D) HE21 :: 7.603(D) HE22 :: 6.906(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.164(D) NE2 :: 112.177(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.65 M 0.33 I 0.01 C Shift Assignments>> C :: 179.647(D) CA :: 59.375(D) CB :: 32.945(D) CG :: 30.638(D) CE :: 16.608(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 :: 8.268(D) HA :: 4.322(D) HB2 :: 1.794(D) HB3 :: 1.794(D) HG2 :: 2.633(D) HG3 :: 2.492(D) HE1 :: 1.790(D) HE2 :: 1.790(D) HE3 :: 1.790(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 :: 118.336(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Y103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.74 C 0.25 C Shift Assignments>> C :: 178.319(D) CA :: 62.691(D) CB :: 39.467(D) CD1 :: 132.878(D) CD2 :: 132.878(D) CE1 :: 118.227(D) CE2 :: 118.227(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 :: 8.240(D) HA :: 4.216(D) HB2 :: 2.924(D) HB3 :: 2.930(D) HD1 :: 7.123(D) HD2 :: 7.123(D) HE1 :: 7.178(D) HE2 :: 7.178(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 :: 118.740(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 177.720(D) CA :: 67.381(D) CB :: 31.165(D) CG1 :: 23.268(D) CG2 :: 20.859(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 :: 7.653(D) HA :: 3.584(D) HB :: 2.648(D) HG11 :: 1.302(D) HG12 :: 1.302(D) HG13 :: 1.302(D) HG21 :: 0.918(D) HG22 :: 0.918(D) HG23 :: 0.918(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 :: 123.597(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.482(D) CA :: 66.325(D) CB :: 69.092(D) CG2 :: 21.830(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 :: 7.595(D) HA :: 3.792(D) HB :: 4.257(D) HG21 :: 1.236(D) HG22 :: 1.236(D) HG23 :: 1.236(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 :: 115.889(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.52 Y 0.47 C Shift Assignments>> C :: 179.010(D) CA :: 63.796(D) CB :: 38.954(D) CD1 :: 131.183(D) CD2 :: 131.183(D) CE1 :: 118.324(D) CE2 :: 118.324(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 :: 8.067(D) HA :: 3.994(D) HB2 :: 2.937(D) HB3 :: 2.941(D) HD1 :: 7.319(D) HD2 :: 7.319(D) HE1 :: 6.154(D) HE2 :: 6.154(D) HH :: 10.367(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 :: 122.524(D) Ave N Shift Values>> N :: 120.52(4.2) 1.C107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.5 I 0.38 C 0.08 C Shift Assignments>> C :: 177.390(D) CA :: 64.584(D) CB :: 27.444(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.611(D) HA :: 4.083(D) HB2 :: 3.061(D) HB3 :: 3.153(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 :: 116.610(D) Ave N Shift Values>> N :: 120.17(4.64) 1.K108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.45 K 0.38 R 0.15 C Shift Assignments>> C :: 177.354(D) CA :: 59.402(D) CB :: 32.557(D) CG :: 25.613(D) CD :: 29.746(D) CE :: 42.165(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.486(D) HA :: 4.159(D) HB2 :: 1.931(D) HB3 :: 1.931(D) HG2 :: 1.690(D) HG3 :: 1.542(D) HD2 :: 1.688(D) HD3 :: 1.691(D) HE2 :: 2.991(D) HE3 :: 2.991(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.910(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.16 F 0.14 N 0.14 Y 0.12 C 0.08 K 0.03 I 0.01 C Shift Assignments>> C :: 175.345(D) CA :: 55.014(D) CB :: 40.329(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 :: 7.323(D) HA :: 4.648(D) HB2 :: 2.559(D) HB3 :: 2.630(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.013(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.8 K 0.19 C Shift Assignments>> C :: 173.677(D) CA :: 59.539(D) CB :: 30.671(D) CG :: 25.211(D) CD :: 30.785(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.187(D) HA :: 4.068(D) HB2 :: 2.184(D) HB3 :: 2.184(D) HG2 :: 1.506(D) HG3 :: 1.508(D) HD2 :: 1.678(D) HD3 :: 1.678(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.963(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.73 C 0.25 C Shift Assignments>> C :: 179.418(D) CA :: 66.413(D) CB :: 31.045(D) CG :: 28.714(D) CD :: 50.341(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 :: 4.301(D) HB2 :: 2.339(D) HB3 :: 1.846(D) HG2 :: 1.917(D) HG3 :: 2.145(D) HD2 :: 3.611(D) HD3 :: 3.684(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.D112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.26 C 0.12 D 0.11 L 0.09 I 0.06 N 0.03 K 0.01 C Shift Assignments>> C :: 178.809(D) CA :: 57.268(D) CB :: 39.968(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 :: 7.477(D) HA :: 4.443(D) HB2 :: 2.724(D) HB3 :: 2.452(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.864(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.857(D) CA :: 61.531(D) CB :: 61.437(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.314(D) HA :: 3.685(D) HB2 :: 3.688(D) HB3 :: 3.688(D) HG :: 6.260(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 :: 115.204(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.49 C 0.41 D 0.08 C Shift Assignments>> C :: 177.552(D) CA :: 55.921(D) CB :: 38.295(D) CG :: 175.935(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 :: 8.523(D) HA :: 4.104(D) HB2 :: 2.928(D) HB3 :: 2.842(D) HD21 :: 7.884(D) HD22 :: 6.932(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.131(D) ND2 :: 111.748(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.53 Q 0.43 E 0.02 C Shift Assignments>> C :: 177.331(D) CA :: 58.831(D) CB :: 28.296(D) CG :: 33.198(D) CD :: 179.835(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 :: 7.863(D) HA :: 4.017(D) HB2 :: 2.191(D) HB3 :: 2.094(D) HG2 :: 2.453(D) HG3 :: 2.456(D) HE21 :: 7.758(D) HE22 :: 6.794(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.805(D) NE2 :: 111.906(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.48 L 0.33 R 0.16 G 0.01 C Shift Assignments>> C :: 179.850(D) CA :: 58.445(D) CB :: 42.204(D) CG :: 27.389(D) CD1 :: 25.962(D) CD2 :: 26.294(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 :: 7.732(D) HA :: 4.273(D) HB2 :: 1.840(D) HB3 :: 1.581(D) HG :: 1.710(D) HD11 :: 0.994(D) HD12 :: 0.994(D) HD13 :: 0.994(D) HD21 :: 0.922(D) HD22 :: 0.922(D) HD23 :: 0.922(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 :: 119.835(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 178.859(D) CA :: 65.358(D) CB :: 38.246(D) CG1 :: 29.858(D) CG2 :: 17.209(D) CD1 :: 13.706(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 :: 8.114(D) HA :: 3.668(D) HB :: 1.814(D) HG12 :: 1.760(D) HG13 :: 0.727(D) HG21 :: 0.854(D) HG22 :: 0.854(D) HG23 :: 0.854(D) HD11 :: 0.464(D) HD12 :: 0.464(D) HD13 :: 0.464(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.902(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.41 L 0.3 K 0.22 G 0.02 R 0.02 HN Overlap>> 1.K13 1.K13 C Shift Assignments>> C :: 179.704(D) CA :: 58.077(D) CB :: 42.595(D) CD1 :: 27.039(D) CD2 :: 24.422(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 :: 7.994(D) HA :: 4.053(D) HB2 :: 1.773(D) HB3 :: 1.651(D) HD11 :: 1.664(D) HD12 :: 1.664(D) HD13 :: 1.664(D) HD21 :: 0.880(D) HD22 :: 0.880(D) HD23 :: 0.880(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 :: 119.393(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.47 E 0.36 M 0.09 I 0.04 C Shift Assignments>> C :: 178.342(D) CA :: 58.521(D) CB :: 31.221(D) CG :: 36.910(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 :: 8.464(D) HA :: 4.086(D) HB2 :: 1.482(D) HB3 :: 1.897(D) HG2 :: 2.275(D) HG3 :: 1.820(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 :: 115.358(D) Ave N Shift Values>> N :: 120.67(3.48) 1.H120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.66 H 0.16 W 0.13 Y 0.03 C Shift Assignments>> C :: 176.303(D) CA :: 56.934(D) CB :: 35.009(D) CD2 :: 119.667(D) CE1 :: 139.095(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 :: 7.967(D) HA :: 5.047(D) HB2 :: 2.931(D) HB3 :: 2.863(D) HD2 :: 7.028(D) HE1 :: 7.821(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 :: 112.616(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.55 L 0.28 C 0.1 M 0.02 V 0.01 HN Overlap>> 1.R11 1.R11 C Shift Assignments>> C :: 176.924(D) CA :: 53.949(D) CB :: 21.358(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.963(D) HA :: 4.258(D) HB1 :: 1.895(D) HB2 :: 1.895(D) HB3 :: 1.895(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.790(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 177.039(D) CA :: 46.725(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.730(D) HA2 :: 4.080(D) HA3 :: 3.851(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.792(D) Ave N Shift Values>> N :: 109.67(3.87) 1.T123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 175.408(D) CA :: 61.512(D) CB :: 68.713(D) CG2 :: 21.722(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 :: 8.948(D) HA :: 4.705(D) HB :: 4.897(D) HG21 :: 1.272(D) HG22 :: 1.272(D) HG23 :: 1.272(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 :: 117.730(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.8 C 0.19 C Shift Assignments>> C :: 177.595(D) CA :: 62.605(D) CB :: 41.347(D) CD1 :: 131.585(D) CD2 :: 131.585(D) CE1 :: 131.781(D) CE2 :: 131.781(D) CZ :: 129.983(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 :: 8.341(D) HA :: 4.267(D) HB2 :: 2.493(D) HB3 :: 3.380(D) HD1 :: 6.978(D) HD2 :: 6.978(D) HE1 :: 7.434(D) HE2 :: 7.434(D) HZ :: 6.986(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 :: 123.474(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.55 C 0.44 C Shift Assignments>> C :: 178.473(D) CA :: 61.424(D) CB :: 37.820(D) CD1 :: 132.096(D) CD2 :: 132.096(D) CE1 :: 131.213(D) CE2 :: 131.213(D) CZ :: 131.103(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 :: 8.675(D) HA :: 4.447(D) HB2 :: 3.223(D) HB3 :: 3.002(D) HD1 :: 7.454(D) HD2 :: 7.454(D) HE1 :: 7.445(D) HE2 :: 7.445(D) HZ :: 7.732(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 :: 114.355(D) Ave N Shift Values>> N :: 120.45(4.18) 1.D126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.27 C 0.13 D 0.09 L 0.09 I 0.07 N 0.02 K 0.02 C Shift Assignments>> C :: 178.899(D) CA :: 57.524(D) CB :: 40.009(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 :: 7.817(D) HA :: 4.544(D) HB2 :: 2.828(D) HB3 :: 2.828(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.289(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 I 0.3 E 0.26 K 0.03 HN Overlap>> 1.R131 1.R131 C Shift Assignments>> C :: 179.634(D) CA :: 59.664(D) CB :: 28.953(D) CG :: 36.988(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 :: 8.502(D) HA :: 4.097(D) HB2 :: 2.193(D) HB3 :: 2.049(D) HG2 :: 2.495(D) HG3 :: 2.342(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.939(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 177.403(D) CA :: 65.589(D) CB :: 38.017(D) CG1 :: 28.981(D) CG2 :: 19.390(D) CD1 :: 14.673(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 :: 7.439(D) HA :: 3.531(D) HB :: 2.165(D) HG12 :: 1.398(D) HG13 :: 0.815(D) HG21 :: 0.675(D) HG22 :: 0.675(D) HG23 :: 0.675(D) HD11 :: 0.539(D) HD12 :: 0.539(D) HD13 :: 0.539(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 :: 121.022(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.42 K 0.19 R 0.16 Q 0.12 P 0.05 M 0.01 I 0.01 C Shift Assignments>> C :: 178.547(D) CA :: 59.961(D) CB :: 27.840(D) CG :: 32.721(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 :: 8.555(D) HA :: 3.732(D) HB2 :: 2.507(D) HB3 :: 2.927(D) HG2 :: 2.340(D) HG3 :: 2.516(D) HE21 :: 6.460(D) HE22 :: 6.610(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.796(D) NE2 :: 107.130(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.49 Q 0.45 E 0.05 HN Overlap>> 1.Q147 1.C162 1.Q147 1.C162 C Shift Assignments>> C :: 179.651(D) CA :: 58.472(D) CB :: 28.418(D) CG :: 33.595(D) CD :: 180.008(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 :: 7.825(D) HA :: 4.176(D) HB2 :: 2.197(D) HB3 :: 2.197(D) HG2 :: 2.523(D) HG3 :: 2.482(D) HE21 :: 7.464(D) HE22 :: 6.824(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 :: 116.272(D) NE2 :: 111.699(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.46 R 0.41 G 0.07 K 0.04 HN Overlap>> 1.E127 1.E127 C Shift Assignments>> C :: 178.396(D) CA :: 59.608(D) CB :: 30.411(D) CG :: 27.555(D) CD :: 43.408(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 :: 8.449(D) HA :: 4.009(D) HB2 :: 1.914(D) HB3 :: 1.714(D) HG2 :: 1.692(D) HG3 :: 1.410(D) HD2 :: 3.200(D) HD3 :: 3.109(D) HE :: 7.687(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 :: 120.881(D) NE :: 83.667(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.H132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.36 W 0.35 C 0.28 C Shift Assignments>> C :: 174.557(D) CA :: 56.445(D) CB :: 29.979(D) CD2 :: 119.412(D) CE1 :: 137.449(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 :: 7.872(D) HA :: 4.466(D) HB2 :: 2.754(D) HB3 :: 3.265(D) HD2 :: 7.278(D) HE1 :: 8.244(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 :: 113.214(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.197(D) CA :: 46.925(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.826(D) HA2 :: 3.895(D) HA3 :: 3.929(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.028(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.45 C 0.27 R 0.12 A 0.09 G 0.05 C Shift Assignments>> C :: 177.865(D) CA :: 54.713(D) CB :: 42.994(D) CG :: 27.209(D) CD1 :: 22.371(D) CD2 :: 25.533(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 :: 7.982(D) HA :: 4.401(D) HB2 :: 1.889(D) HB3 :: 1.906(D) HG :: 1.534(D) HD11 :: 0.866(D) HD12 :: 0.866(D) HD13 :: 0.866(D) HD21 :: 0.675(D) HD22 :: 0.675(D) HD23 :: 0.675(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.273(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.79 M 0.15 C 0.02 L 0.01 C Shift Assignments>> C :: 177.863(D) CA :: 53.596(D) CB :: 19.315(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.659(D) HA :: 4.205(D) HB1 :: 1.394(D) HB2 :: 1.394(D) HB3 :: 1.394(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.345(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.5 D 0.4 C 0.08 C Shift Assignments>> C :: 174.312(D) CA :: 52.141(D) CB :: 41.399(D) CG :: 176.620(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 :: 7.968(D) HA :: 5.003(D) HB2 :: 2.473(D) HB3 :: 2.197(D) HD21 :: 7.281(D) HD22 :: 7.104(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 :: 113.803(D) ND2 :: 115.175(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 175.676(D) CA :: 56.918(D) CB :: 66.176(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.631(D) HA :: 4.561(D) HB2 :: 4.369(D) HB3 :: 4.086(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 :: 119.749(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.76 C 0.23 HN Overlap>> 1.L178 1.L178 C Shift Assignments>> C :: 176.750(D) CA :: 64.452(D) CB :: 36.440(D) CG1 :: 28.538(D) CG2 :: 15.676(D) CD1 :: 13.002(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 :: 8.876(D) HA :: 3.504(D) HB :: 0.308(S) HG12 :: 0.502(D) HG13 :: 0.215(D) HG21 :: 0.504(D) HG22 :: 0.504(D) HG23 :: 0.504(D) HD11 :: -0.384(S) HD12 :: -0.384(S) HD13 :: -0.384(S) 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 :: 120.874(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.685(D) CA :: 62.280(D) CB :: 62.132(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.500(D) HA :: 3.938(D) HB2 :: 3.781(D) HB3 :: 3.696(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 :: 118.005(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 176.637(D) CA :: 61.143(D) CB :: 62.744(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.612(D) HA :: 4.152(D) HB2 :: 3.894(D) HB3 :: 3.833(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 :: 118.471(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Y141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.63 C 0.36 C Shift Assignments>> C :: 178.958(D) CA :: 62.680(D) CB :: 39.859(D) CD1 :: 133.058(D) CD2 :: 133.058(D) CE1 :: 119.655(D) CE2 :: 119.655(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 :: 7.617(D) HA :: 4.211(D) HB2 :: 3.138(D) HB3 :: 2.875(D) HD1 :: 7.207(D) HD2 :: 7.207(D) HE1 :: 7.138(D) HE2 :: 7.138(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 :: 117.539(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.66 L 0.24 A 0.09 HN Overlap>> 1.E41 1.E41 C Shift Assignments>> C :: 179.966(D) CA :: 56.636(D) CB :: 40.235(D) CG :: 25.966(D) CD1 :: 21.636(D) CD2 :: 26.267(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 :: 8.348(D) HA :: 4.271(D) HB2 :: 1.764(D) HB3 :: 1.470(D) HG :: 1.827(D) HD11 :: 0.810(D) HD12 :: 0.810(D) HD13 :: 0.810(D) HD21 :: 0.316(D) HD22 :: 0.316(D) HD23 :: 0.316(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 114.847(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.51 I 0.47 C Shift Assignments>> C :: 176.717(D) CA :: 59.446(D) CB :: 39.819(D) CG1 :: 29.669(D) CG2 :: 17.461(D) CD1 :: 14.106(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 :: 7.508(D) HA :: 4.665(D) HB :: 1.978(D) HG12 :: 1.669(D) HG13 :: 1.542(D) HG21 :: 1.001(D) HG22 :: 1.001(D) HG23 :: 1.001(D) HD11 :: 0.989(D) HD12 :: 0.989(D) HD13 :: 0.989(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 116.411(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.65 R 0.17 K 0.15 G 0.01 C Shift Assignments>> C :: 176.652(D) CA :: 61.527(D) CB :: 30.302(D) CG :: 26.483(D) CD :: 29.135(D) CE :: 41.930(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.860(D) HA :: 4.572(D) HB2 :: 2.417(D) HB3 :: 1.753(D) HG2 :: 2.028(D) HG3 :: 1.957(D) HD2 :: 1.964(D) HD3 :: 1.765(D) HE2 :: 2.784(D) HE3 :: 2.725(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.834(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 177.659(D) CA :: 66.057(D) CB :: 32.071(D) CG :: 27.606(D) CD :: 50.689(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 :: 5.199(D) HB2 :: 2.472(D) HB3 :: 2.527(D) HG2 :: 1.970(D) HG3 :: 1.970(D) HD2 :: 3.677(D) HD3 :: 3.938(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.V146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 179.116(D) CA :: 66.335(D) CB :: 32.124(D) CG1 :: 21.658(D) CG2 :: 21.428(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.644(D) HA :: 3.607(D) HB :: 2.469(D) HG11 :: 1.400(D) HG12 :: 1.400(D) HG13 :: 1.400(D) HG21 :: 1.140(D) HG22 :: 1.140(D) HG23 :: 1.140(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.155(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q147 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.44 Q 0.43 E 0.12 HN Overlap>> 1.Q130 1.Q130 1.C162 1.C162 C Shift Assignments>> C :: 178.884(D) CA :: 57.849(D) CB :: 28.517(D) CG :: 34.482(D) CD :: 179.501(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 :: 7.826(D) HA :: 4.090(D) HB2 :: 2.169(D) HB3 :: 1.979(D) HG2 :: 2.439(D) HG3 :: 2.517(D) HE21 :: 7.554(D) HE22 :: 6.811(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 :: 116.232(D) NE2 :: 111.890(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.43 R 0.39 K 0.12 L 0.02 G 0.01 C Shift Assignments>> C :: 176.737(D) CA :: 57.283(D) CB :: 29.022(D) CG :: 28.169(D) CD :: 42.505(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 :: 8.443(D) HA :: 3.522(D) HB2 :: 2.021(D) HB3 :: 2.059(D) HG2 :: 1.864(D) HG3 :: 1.573(D) HD2 :: 2.849(D) HD3 :: 2.654(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 :: 122.121(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.V149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.864(D) CA :: 67.072(D) CB :: 31.949(D) CG1 :: 21.744(D) CG2 :: 23.654(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.940(D) HA :: 3.518(D) HB :: 2.205(D) HG11 :: 0.952(D) HG12 :: 0.952(D) HG13 :: 0.952(D) HG21 :: 0.925(D) HG22 :: 0.925(D) HG23 :: 0.925(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.791(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T150 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.297(D) CA :: 66.217(D) CB :: 68.671(D) CG2 :: 22.387(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 :: 6.918(D) HA :: 3.705(D) HB :: 4.115(D) HG21 :: 1.203(D) HG22 :: 1.203(D) HG23 :: 1.203(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 :: 114.986(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.16 W 0.13 R 0.13 E 0.12 H 0.12 K 0.1 M 0.09 Q 0.07 V 0.03 HN Overlap>> 1.A187 1.A187 C Shift Assignments>> C :: 178.815(D) CA :: 58.040(D) CB :: 31.202(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 :: 8.051(D) HA :: 3.998(D) HB2 :: 1.798(D) HB3 :: 1.900(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.651(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.52 C 0.47 C Shift Assignments>> C :: 178.460(D) CA :: 59.490(D) CB :: 37.997(D) CD1 :: 131.386(D) CD2 :: 131.386(D) CE1 :: 117.799(D) CE2 :: 117.799(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 :: 8.558(D) HA :: 4.298(D) HB2 :: 3.075(D) HB3 :: 2.648(D) HD1 :: 6.967(D) HD2 :: 6.967(D) HE1 :: 6.813(D) HE2 :: 6.813(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 :: 117.011(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.62 Q 0.36 E 0.01 C Shift Assignments>> C :: 178.080(D) CA :: 59.098(D) CB :: 27.586(D) CG :: 33.496(D) CD :: 178.542(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 :: 7.787(D) HA :: 3.575(D) HB2 :: 2.671(D) HB3 :: 1.835(D) HG2 :: 2.764(D) HG3 :: 1.885(D) HE21 :: 6.781(D) HE22 :: 6.763(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 :: 115.427(D) NE2 :: 109.008(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.49 L 0.41 R 0.06 G 0.01 C Shift Assignments>> C :: 180.911(D) CA :: 58.383(D) CB :: 42.058(D) CG :: 26.754(D) CD1 :: 22.842(D) CD2 :: 25.763(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.290(D) HA :: 3.967(D) HB2 :: 1.934(D) HB3 :: 1.568(D) HG :: 1.907(D) HD11 :: 0.855(D) HD12 :: 0.855(D) HD13 :: 0.855(D) HD21 :: 0.856(D) HD22 :: 0.856(D) HD23 :: 0.856(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.205(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.6 R 0.22 L 0.14 K 0.01 C Shift Assignments>> C :: 178.913(D) CA :: 58.027(D) CB :: 41.832(D) CG :: 27.818(D) CD1 :: 22.667(D) CD2 :: 27.349(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.584(D) HA :: 4.252(D) HB2 :: 1.916(D) HB3 :: 1.234(D) HG :: 1.889(D) HD11 :: 0.929(D) HD12 :: 0.929(D) HD13 :: 0.929(D) HD21 :: 0.848(D) HD22 :: 0.848(D) HD23 :: 0.848(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 :: 120.246(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L156 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.61 L 0.33 G 0.02 C Shift Assignments>> C :: 178.923(D) CA :: 58.486(D) CB :: 42.423(D) CG :: 27.221(D) CD1 :: 21.805(D) CD2 :: 23.519(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 :: 8.430(D) HA :: 3.963(D) HB2 :: 1.835(D) HB3 :: 1.001(D) HG :: 1.349(D) HD11 :: 0.465(D) HD12 :: 0.465(D) HD13 :: 0.465(D) HD21 :: -0.350(S) HD22 :: -0.350(S) HD23 :: -0.350(S) 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 :: 119.013(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.45 K 0.27 R 0.24 G 0.01 C Shift Assignments>> C :: 179.016(D) CA :: 59.860(D) CB :: 32.515(D) CG :: 26.245(D) CD :: 29.638(D) CE :: 42.432(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 :: 8.206(D) HA :: 3.926(D) HB2 :: 1.922(D) HB3 :: 1.925(D) HG2 :: 1.586(D) HG3 :: 1.438(D) HD2 :: 1.639(D) HD3 :: 1.657(D) HE2 :: 2.896(D) HE3 :: 2.863(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.097(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E158 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.41 E 0.33 I 0.18 K 0.03 M 0.02 Q 0.01 C Shift Assignments>> C :: 180.717(D) CA :: 59.601(D) CB :: 29.877(D) CG :: 36.721(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 :: 8.040(D) HA :: 3.994(D) HB2 :: 2.163(D) HB3 :: 2.166(D) HG2 :: 2.266(D) HG3 :: 2.404(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.915(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L159 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.47 L 0.41 R 0.09 HN Overlap>> 1.L3 1.L3 C Shift Assignments>> C :: 178.724(D) CA :: 58.589(D) CB :: 42.082(D) CG :: 27.748(D) CD1 :: 25.466(D) CD2 :: 25.184(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 :: 8.579(D) HA :: 4.016(D) HB2 :: 2.023(D) HB3 :: 2.023(D) HG :: 1.832(D) HD11 :: 0.902(D) HD12 :: 0.902(D) HD13 :: 0.902(D) HD21 :: 0.811(D) HD22 :: 0.811(D) HD23 :: 0.811(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.432(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.45 C 0.43 R 0.09 G 0.01 C Shift Assignments>> C :: 178.810(D) CA :: 58.285(D) CB :: 42.266(D) CG :: 27.310(D) CD1 :: 25.497(D) CD2 :: 25.592(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 :: 8.342(D) HA :: 3.974(D) HB2 :: 1.786(D) HB3 :: 1.791(D) HG :: 1.641(D) HD11 :: 0.846(D) HD12 :: 0.846(D) HD13 :: 0.846(D) HD21 :: 0.860(D) HD22 :: 0.860(D) HD23 :: 0.860(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 :: 120.236(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.552(D) CA :: 64.438(D) CB :: 69.951(D) CG2 :: 21.827(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 :: 7.659(D) HA :: 4.241(D) HB :: 4.393(D) HG21 :: 1.366(D) HG22 :: 1.366(D) HG23 :: 1.366(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 :: 109.169(D) Ave N Shift Values>> N :: 115.42(4.75) 1.C162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.17 W 0.16 E 0.12 K 0.11 Q 0.09 H 0.09 R 0.09 I 0.08 M 0.02 V 0.01 HN Overlap>> 1.Q130 1.Q147 1.Q130 1.Q147 C Shift Assignments>> C :: 174.587(D) CA :: 59.134(D) CB :: 29.285(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.785(D) HA :: 4.792(D) HB2 :: 3.207(D) HB3 :: 3.049(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 :: 116.309(D) Ave N Shift Values>> N :: 120.17(4.64) 1.C163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.18 W 0.16 E 0.12 K 0.1 I 0.1 H 0.08 R 0.08 Q 0.08 V 0.02 M 0.01 HN Overlap>> 1.F15 1.Q101 1.E66 1.V176 1.F15 1.Q101 1.E66 1.V176 C Shift Assignments>> C :: 174.078(D) CA :: 59.572(D) CB :: 29.410(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.705(D) HA :: 4.697(D) HB2 :: 3.031(D) HB3 :: 2.813(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 :: 120.133(D) Ave N Shift Values>> N :: 120.17(4.64) 1.E164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.4 C 0.36 M 0.06 K 0.06 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.877(D) CA :: 57.502(D) CB :: 30.104(D) CG :: 36.426(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 :: 8.786(D) HA :: 4.207(D) HB2 :: 2.011(D) HB3 :: 2.087(D) HG2 :: 2.312(D) HG3 :: 2.312(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 :: 122.493(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.4 C 0.35 M 0.07 K 0.06 Q 0.05 I 0.04 HN Overlap>> 1.E48 1.E48 C Shift Assignments>> C :: 177.138(D) CA :: 57.315(D) CB :: 30.106(D) CG :: 36.329(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 :: 8.589(D) HA :: 4.239(D) HB2 :: 2.036(D) HB3 :: 2.067(D) HG2 :: 2.301(D) HG3 :: 2.301(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.287(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 174.659(D) CA :: 45.934(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.563(D) HA2 :: 4.092(D) HA3 :: 3.934(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.815(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.47 C 0.4 R 0.1 HN Overlap>> 1.A18 1.A18 1.D186 1.D186 C Shift Assignments>> C :: 177.580(D) CA :: 56.402(D) CB :: 32.917(D) CG :: 24.754(D) CD :: 29.164(D) CE :: 42.059(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.974(D) HA :: 4.397(D) HB2 :: 1.931(D) HB3 :: 1.860(D) HG2 :: 1.458(D) HG3 :: 1.459(D) HD2 :: 1.710(D) HD3 :: 1.710(D) HE2 :: 2.984(D) HE3 :: 2.984(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.382(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.144(D) CA :: 46.851(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.616(D) HA2 :: 4.188(D) HA3 :: 3.910(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.107(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E169 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.51 E 0.25 I 0.19 M 0.01 K 0.01 C Shift Assignments>> C :: 177.950(D) CA :: 58.360(D) CB :: 29.873(D) CG :: 37.937(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 :: 8.580(D) HA :: 4.319(D) HB2 :: 2.121(D) HB3 :: 1.931(D) HG2 :: 2.340(D) HG3 :: 2.196(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.556(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L170 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.45 C 0.43 R 0.09 G 0.01 C Shift Assignments>> C :: 178.317(D) CA :: 58.762(D) CB :: 42.349(D) CG :: 27.388(D) CD1 :: 25.570(D) CD2 :: 24.439(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 :: 8.097(D) HA :: 3.951(D) HB2 :: 2.010(D) HB3 :: 1.298(D) HG :: 1.902(D) HD11 :: 0.869(D) HD12 :: 0.869(D) HD13 :: 0.869(D) HD21 :: 0.832(D) HD22 :: 0.832(D) HD23 :: 0.832(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 :: 121.746(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K171 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.55 K 0.44 C Shift Assignments>> C :: 178.706(D) CA :: 59.676(D) CB :: 31.823(D) CG :: 25.277(D) CD :: 29.146(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 :: 8.005(D) HA :: 3.856(D) HB2 :: 1.847(D) HB3 :: 1.951(D) HG2 :: 1.453(D) HG3 :: 1.454(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.942(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D172 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.27 Y 0.24 L 0.12 D 0.11 C 0.11 I 0.05 K 0.04 N 0.02 HN Overlap>> 1.K99 1.K99 C Shift Assignments>> C :: 179.455(D) CA :: 57.316(D) CB :: 40.330(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 :: 8.011(D) HA :: 4.318(D) HB2 :: 2.541(D) HB3 :: 2.541(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.699(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G173 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.66 C 0.1 P 0.09 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 174.306(D) CA :: 47.780(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.786(D) HA2 :: 3.435(D) HA3 :: 3.572(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.230(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L174 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.64 L 0.32 R 0.01 C Shift Assignments>> C :: 178.219(D) CA :: 58.149(D) CB :: 40.823(D) CG :: 26.421(D) CD1 :: 23.961(D) CD2 :: 27.136(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 :: 8.229(D) HA :: 3.772(D) HB2 :: 2.127(D) HB3 :: 1.245(D) HG :: 1.466(D) HD11 :: 0.928(D) HD12 :: 0.928(D) HD13 :: 0.928(D) HD21 :: 0.826(D) HD22 :: 0.826(D) HD23 :: 0.826(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.557(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E175 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 E 0.27 I 0.22 K 0.08 Q 0.04 C Shift Assignments>> C :: 179.920(D) CA :: 59.707(D) CB :: 28.696(D) CG :: 36.033(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 :: 8.236(D) HA :: 3.927(D) HB2 :: 2.129(D) HB3 :: 2.131(D) HG2 :: 2.345(D) HG3 :: 2.348(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.976(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V176 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.92 C 0.07 HN Overlap>> 1.F15 1.Q101 1.E66 1.F15 1.Q101 1.E66 1.C163 1.C163 C Shift Assignments>> C :: 179.355(D) CA :: 66.494(D) CB :: 31.825(D) CG1 :: 22.363(D) CG2 :: 21.023(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 :: 7.649(D) HA :: 3.647(D) HB :: 2.303(D) HG11 :: 1.143(D) HG12 :: 1.143(D) HG13 :: 1.143(D) HG21 :: 0.926(D) HG22 :: 0.926(D) HG23 :: 0.926(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.098(D) Ave N Shift Values>> N :: 121.14(4.54) 1.M177 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.46 C 0.4 A 0.11 V 0.01 C Shift Assignments>> C :: 180.349(D) CA :: 56.274(D) CB :: 32.350(D) CE :: 17.832(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 :: 7.272(D) HA :: 4.472(D) HB2 :: 1.867(D) HB3 :: 2.131(D) HG2 :: 2.067(D) HG3 :: 2.280(D) HE1 :: 1.269(D) HE2 :: 1.269(D) HE3 :: 1.269(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 :: 116.673(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L178 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.5 C 0.39 R 0.06 A 0.02 HN Overlap>> 1.I138 1.I138 C Shift Assignments>> C :: 179.371(D) CA :: 57.066(D) CB :: 41.894(D) CG :: 26.721(D) CD1 :: 25.950(D) CD2 :: 21.874(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 :: 8.962(D) HA :: 4.137(D) HB2 :: 1.868(D) HB3 :: 1.397(D) HG :: 1.636(D) HD11 :: 0.795(D) HD12 :: 0.795(D) HD13 :: 0.795(D) HD21 :: 0.740(D) HD22 :: 0.740(D) HD23 :: 0.740(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 :: 120.829(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S179 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.207(D) CA :: 60.988(D) CB :: 63.682(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.899(D) HA :: 4.284(D) HB2 :: 4.050(D) HB3 :: 4.051(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.925(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V180 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.91 C 0.08 C Shift Assignments>> CA :: 68.250(D) CB :: 29.960(D) CG1 :: 22.740(D) CG2 :: 21.549(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 :: 7.150(D) HA :: 3.860(D) HB :: 2.367(D) HG11 :: 1.194(D) HG12 :: 1.194(D) HG13 :: 1.194(D) HG21 :: 1.038(D) HG22 :: 1.038(D) HG23 :: 1.038(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 :: 121.244(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P181 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 178.788(D) CA :: 65.005(D) CB :: 30.863(D) CG :: 28.551(D) CD :: 49.591(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 :: 4.412(D) HB2 :: 2.331(D) HB3 :: 1.914(D) HG2 :: 2.091(D) HG3 :: 1.999(D) HD2 :: 3.946(D) HD3 :: 3.502(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.K182 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.45 K 0.43 R 0.1 C Shift Assignments>> C :: 178.711(D) CA :: 59.049(D) CB :: 32.581(D) CG :: 25.131(D) CD :: 29.356(D) CE :: 42.207(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 :: 6.627(D) HA :: 4.138(D) HB2 :: 1.923(D) HB3 :: 1.926(D) HG2 :: 1.591(D) HG3 :: 1.451(D) HD2 :: 1.683(D) HD3 :: 1.691(D) HE2 :: 2.968(D) HE3 :: 2.971(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.072(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K183 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.42 K 0.39 R 0.17 C Shift Assignments>> C :: 179.133(D) CA :: 58.583(D) CB :: 33.225(D) CG :: 25.699(D) CD :: 29.527(D) CE :: 42.113(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 :: 8.276(D) HA :: 4.170(D) HB2 :: 1.936(D) HB3 :: 1.952(D) HG2 :: 1.697(D) HG3 :: 1.517(D) HD2 :: 1.706(D) HD3 :: 1.708(D) HE2 :: 2.991(D) HE3 :: 3.018(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.124(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A184 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.63 M 0.3 C 0.02 I 0.01 C Shift Assignments>> C :: 177.551(D) CA :: 54.379(D) CB :: 18.837(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.166(D) HA :: 4.104(D) HB1 :: 1.507(D) HB2 :: 1.507(D) HB3 :: 1.507(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.808(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N185 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.58 D 0.23 C 0.18 C Shift Assignments>> C :: 176.110(D) CA :: 54.540(D) CB :: 38.917(D) CG :: 176.914(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 :: 7.883(D) HA :: 4.616(D) HB2 :: 2.826(D) HB3 :: 2.926(D) HD21 :: 7.640(D) HD22 :: 6.922(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.868(D) ND2 :: 112.663(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D186 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.25 L 0.2 F 0.15 Y 0.12 K 0.1 C 0.07 N 0.06 I 0.01 HN Overlap>> 1.K167 1.K167 C Shift Assignments>> C :: 176.674(D) CA :: 55.538(D) CB :: 40.869(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 :: 8.063(D) HA :: 4.515(D) HB2 :: 2.743(D) HB3 :: 2.744(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 :: 120.424(D) Ave N Shift Values>> N :: 120.65(3.86) 1.A187 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 HN Overlap>> 1.K151 1.K151 C Shift Assignments>> C :: 177.840(D) CA :: 52.779(D) CB :: 19.136(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.037(D) HA :: 4.291(D) HB1 :: 1.412(D) HB2 :: 1.412(D) HB3 :: 1.412(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.705(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M188 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.5 C 0.37 A 0.11 C Shift Assignments>> C :: 175.822(D) CA :: 55.759(D) CB :: 32.991(D) CG :: 32.174(D) CE :: 17.038(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 :: 7.974(D) HA :: 4.384(D) HB2 :: 2.038(D) HB3 :: 2.005(D) HG2 :: 2.530(D) HG3 :: 2.635(D) HE1 :: 2.089(D) HE2 :: 2.089(D) HE3 :: 2.089(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 :: 117.422(D) Ave N Shift Values>> N :: 120.09(3.57) 1.H189 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.37 W 0.36 C 0.25 HN Overlap>> 1.K25 1.I64 1.K25 1.I64 C Shift Assignments>> C :: 173.928(D) CA :: 55.847(D) CB :: 29.716(D) CD2 :: 120.407(D) CE1 :: 137.146(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 :: 8.111(D) HA :: 4.703(D) HB2 :: 3.251(D) HB3 :: 3.185(D) HD2 :: 7.205(D) HE1 :: 8.283(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.793(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V190 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 180.960(D) CA :: 63.818(D) CB :: 33.037(D) CG1 :: 21.100(D) CG2 :: 20.174(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 :: 7.722(D) HA :: 4.029(D) HB :: 2.100(D) HG11 :: 0.900(D) HG12 :: 0.900(D) HG13 :: 0.900(D) HG21 :: 0.886(D) HG22 :: 0.886(D) HG23 :: 0.886(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.107(D) Ave N Shift Values>> N :: 121.14(4.54) ########################################################################### Overall Results: #Consistent: 1 #Clerical: 173 #Suspicious: 15 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 188 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 189 #Suspicious: 1 C Shift Results: #Consistent: 2 #Duplicate: 894 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate:1369 #Unknown: 0 #Suspicious: 25 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 198 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.P2 C = 176.988(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.7476e-01 1.P2 CA = 63.147(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.0417e-01 1.P2 CB = 32.311(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.9604e-01 1.P2 CG = 27.113(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.5829e-01 1.P2 CD = 49.653(D), Expected = 50.32, Std = 0.9900, ChiSquare = 5.0048e-01 1.P2 HA = 4.455(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.6763e-01 1.P2 HB2 = 2.308(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.1477e-01 1.P2 HB3 = 1.942(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.7201e-01 1.P2 HG2 = 1.996(D), Expected = 1.93, Std = 0.3100, ChiSquare = 8.3140e-01 1.P2 HG3 = 1.996(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.7112e-01 1.P2 HD2 = 3.553(D), Expected = 3.65, Std = 0.3500, ChiSquare = 7.8167e-01 1.P2 HD3 = 3.553(D), Expected = 3.61, Std = 0.3900, ChiSquare = 8.8380e-01 1.L3 C = 177.869(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.5709e-01 1.L3 CA = 55.413(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.2258e-01 1.L3 CB = 42.221(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.6224e-01 1.L3 CG = 26.823(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.6882e-01 1.L3 CD1 = 24.868(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.2584e-01 1.L3 CD2 = 23.549(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.6822e-01 1.L3 H = 8.522(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5326e-01 1.L3 HA = 4.317(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.9491e-01 1.L3 HB2 = 1.643(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.2268e-01 1.L3 HB3 = 1.601(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.2198e-01 1.L3 HG = 1.640(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.9363e-01 1.L3 HD11 = 0.923(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.3667e-01 1.L3 HD12 = 0.923(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.3667e-01 1.L3 HD13 = 0.923(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.3667e-01 1.L3 HD21 = 0.875(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.1707e-01 1.L3 HD22 = 0.875(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.1707e-01 1.L3 HD23 = 0.875(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.1707e-01 1.L3 N = 122.438(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8218e-01 1.G4 C = 173.796(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6860e-01 1.G4 CA = 45.025(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.0836e-01 1.G4 H = 8.401(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.1302e-01 1.G4 HA2 = 3.952(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.6120e-01 1.G4 HA3 = 3.955(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.8183e-01 1.G4 N = 109.871(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.5858e-01 1.S5 C = 173.800(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.3354e-01 1.S5 CA = 56.425(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.6756e-01 1.S5 CB = 63.383(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.7813e-01 1.S5 H = 8.139(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.1112e-01 1.S5 HA = 4.769(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.6999e-01 1.S5 HB2 = 3.846(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.9182e-01 1.S5 HB3 = 3.846(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.8818e-01 1.S5 N = 116.963(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.4615e-01 1.P6 C = 176.607(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.2455e-01 1.P6 CA = 63.427(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.4912e-01 1.P6 CB = 32.057(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.6075e-01 1.P6 CG = 27.384(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.4435e-01 1.P6 CD = 50.710(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.9363e-01 1.P6 HA = 4.373(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.3479e-01 1.P6 HB2 = 1.799(D), Expected = 2.08, Std = 0.3500, ChiSquare = 4.2206e-01 1.P6 HB3 = 2.224(D), Expected = 2.00, Std = 0.3600, ChiSquare = 5.3380e-01 1.P6 HG2 = 1.983(D), Expected = 1.93, Std = 0.3100, ChiSquare = 8.6425e-01 1.P6 HG3 = 1.986(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.9440e-01 1.P6 HD2 = 3.803(D), Expected = 3.65, Std = 0.3500, ChiSquare = 6.6201e-01 1.P6 HD3 = 3.703(D), Expected = 3.61, Std = 0.3900, ChiSquare = 8.1152e-01 1.E7 C = 175.801(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.8355e-01 1.E7 CA = 56.660(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.5216e-01 1.E7 CB = 30.522(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.6595e-01 1.E7 CG = 36.252(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.0502e-01 1.E7 H = 8.335(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.9324e-01 1.E7 HA = 4.123(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.5675e-01 1.E7 HB2 = 1.809(D), Expected = 2.02, Std = 0.2100, ChiSquare = 3.1501e-01 1.E7 HB3 = 1.810(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.3386e-01 1.E7 HG2 = 2.140(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.3589e-01 1.E7 HG3 = 2.020(D), Expected = 2.25, Std = 0.2200, ChiSquare = 2.9581e-01 1.E7 N = 120.450(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.4959e-01 1.F8 C = 173.863(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.3397e-01 1.F8 CA = 55.477(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.1114e-01 1.F8 CB = 39.377(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.6929e-01 1.F8 CD1 = 132.160(D), Expected = 131.58, Std = 1.1800, ChiSquare = 6.2305e-01 1.F8 CD2 = 132.160(D), Expected = 131.63, Std = 1.1200, ChiSquare = 6.3606e-01 1.F8 CE1 = 131.264(D), Expected = 130.71, Std = 1.3000, ChiSquare = 6.7000e-01 1.F8 CE2 = 131.264(D), Expected = 130.76, Std = 1.1300, ChiSquare = 6.5558e-01 1.F8 CZ = 131.949(D), Expected = 129.21, Std = 1.4300, ChiSquare = 5.5444e-02 1.F8 H = 8.195(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.1874e-01 1.F8 HA = 4.890(D), Expected = 4.63, Std = 0.5700, ChiSquare = 6.4829e-01 1.F8 HB2 = 2.936(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.6267e-01 1.F8 HB3 = 3.125(D), Expected = 2.93, Std = 0.4000, ChiSquare = 6.2590e-01 1.F8 HD1 = 7.270(D), Expected = 7.06, Std = 0.3100, ChiSquare = 4.9814e-01 1.F8 HD2 = 7.270(D), Expected = 7.06, Std = 0.3100, ChiSquare = 4.9814e-01 1.F8 HE1 = 7.331(D), Expected = 7.08, Std = 0.3100, ChiSquare = 4.1813e-01 1.F8 HE2 = 7.331(D), Expected = 7.08, Std = 0.3200, ChiSquare = 4.3282e-01 1.F8 HZ = 7.437(D), Expected = 7.00, Std = 0.4200, ChiSquare = 2.9812e-01 1.F8 N = 121.154(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.6625e-01 1.P9 C = 177.464(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.3632e-01 1.P9 CA = 63.635(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.4097e-01 1.P9 CB = 31.976(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.1496e-01 1.P9 CG = 27.400(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.3288e-01 1.P9 CD = 50.655(D), Expected = 50.32, Std = 0.9900, ChiSquare = 7.3507e-01 1.P9 HA = 4.395(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.8791e-01 1.P9 HB2 = 2.234(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.5994e-01 1.P9 HB3 = 1.938(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.6326e-01 1.P9 HG2 = 1.969(D), Expected = 1.93, Std = 0.3100, ChiSquare = 8.9989e-01 1.P9 HG3 = 1.973(D), Expected = 1.90, Std = 0.3300, ChiSquare = 8.2493e-01 1.P9 HD2 = 3.707(D), Expected = 3.65, Std = 0.3500, ChiSquare = 8.7063e-01 1.P9 HD3 = 3.530(D), Expected = 3.61, Std = 0.3900, ChiSquare = 8.3747e-01 1.G10 C = 173.949(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6648e-01 1.G10 CA = 45.408(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6548e-01 1.G10 H = 8.242(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9231e-01 1.G10 HA2 = 3.924(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.0106e-01 1.G10 HA3 = 3.924(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.4828e-01 1.G10 N = 108.998(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.6215e-01 1.R11 C = 176.237(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.3209e-01 1.R11 CA = 56.136(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.8373e-01 1.R11 CB = 31.003(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.6849e-01 1.R11 CG = 27.052(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.9525e-01 1.R11 CD = 43.675(D), Expected = 43.16, Std = 0.8800, ChiSquare = 5.5839e-01 1.R11 CZ = 159.01(D), Expected = 159.97, Std = 2.9500, ChiSquare = 7.4486e-01 1.R11 H = 8.062(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.7044e-01 1.R11 HA = 4.363(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.9107e-01 1.R11 HB2 = 1.760(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.1153e-01 1.R11 HB3 = 1.889(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.4500e-01 1.R11 HG2 = 1.645(D), Expected = 1.57, Std = 0.2700, ChiSquare = 7.8118e-01 1.R11 HG3 = 1.645(D), Expected = 1.54, Std = 0.2900, ChiSquare = 7.1730e-01 1.R11 HD2 = 3.170(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.3497e-01 1.R11 HD3 = 3.170(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.8775e-01 1.R11 N = 120.740(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.8699e-01 1.K12 Typing: Mistyped 1.K12 C = 176.054(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.6952e-01 1.K12 CA = 56.258(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.5311e-01 1.K12 CB = 32.567(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.0030e-01 1.K12 CG = 26.364(D), Expected = 24.89, Std = 1.1300, ChiSquare = 1.9209e-01 1.K12 CD = 31.338(D), Expected = 28.96, Std = 1.0800, ChiSquare = 2.7676e-02 1.K12 CE = 44.850(S), Expected = 41.89, Std = 0.8200, ChiSquare = 3.0649e-04 1.K12 H = 8.741(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.5844e-01 1.K12 HA = 4.540(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.3946e-01 1.K12 HB2 = 1.757(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.2670e-01 1.K12 HB3 = 1.878(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.0927e-01 1.K12 HG2 = 1.672(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.4542e-01 1.K12 HG3 = 1.759(D), Expected = 1.35, Std = 0.2800, ChiSquare = 1.4409e-01 1.K12 HD2 = 1.868(D), Expected = 1.61, Std = 0.2200, ChiSquare = 2.4091e-01 1.K12 HD3 = 1.868(D), Expected = 1.60, Std = 0.2200, ChiSquare = 2.2315e-01 1.K12 HE2 = 3.225(D), Expected = 2.92, Std = 0.1900, ChiSquare = 1.0844e-01 1.K12 HE3 = 3.225(D), Expected = 2.91, Std = 0.2000, ChiSquare = 1.1526e-01 1.K12 N = 122.196(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.6114e-01 1.K13 C = 179.204(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.9984e-01 1.K13 CA = 56.762(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.3190e-01 1.K13 CB = 33.439(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.1540e-01 1.K13 CG = 25.502(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.8810e-01 1.K13 CD = 29.272(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.7267e-01 1.K13 CE = 42.225(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.8288e-01 1.K13 H = 8.043(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0646e-01 1.K13 HA = 4.377(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.0786e-01 1.K13 HB2 = 1.649(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.0028e-01 1.K13 HB3 = 2.125(D), Expected = 1.74, Std = 0.2700, ChiSquare = 1.5389e-01 1.K13 HG2 = 1.496(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.2795e-01 1.K13 HG3 = 1.592(D), Expected = 1.35, Std = 0.2800, ChiSquare = 3.8743e-01 1.K13 HD2 = 1.700(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.8247e-01 1.K13 HD3 = 1.700(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.4944e-01 1.K13 HE2 = 2.975(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.7222e-01 1.K13 HE3 = 2.975(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.4518e-01 1.K13 N = 119.461(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.7340e-01 1.E14 C = 179.517(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.7464e-01 1.E14 CA = 59.867(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.2297e-01 1.E14 CB = 33.485(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.3347e-02 1.E14 CG = 32.521(D), Expected = 36.11, Std = 1.1900, ChiSquare = 2.5616e-03 1.E14 H = 8.986(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.6620e-01 1.E14 HA = 3.951(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.6584e-01 1.E14 HB2 = 2.150(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.3589e-01 1.E14 HB3 = 2.150(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.8665e-01 1.E14 HG2 = 1.877(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.1286e-02 1.E14 HG3 = 1.877(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.9989e-02 1.E14 N = 121.118(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.9757e-01 1.E14 SRO Rule Break>> CG > CB : 0.99165623696287 1.F15 C = 178.647(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.0489e-01 1.F15 CA = 59.688(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.3152e-01 1.F15 CB = 38.403(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.4766e-01 1.F15 CD1 = 131.247(D), Expected = 131.58, Std = 1.1800, ChiSquare = 7.7779e-01 1.F15 CD2 = 131.247(D), Expected = 131.63, Std = 1.1200, ChiSquare = 7.3238e-01 1.F15 CE1 = 132.012(D), Expected = 130.71, Std = 1.3000, ChiSquare = 3.1657e-01 1.F15 CE2 = 132.012(D), Expected = 130.76, Std = 1.1300, ChiSquare = 2.6788e-01 1.F15 H = 7.653(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.2613e-01 1.F15 HA = 4.517(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.4285e-01 1.F15 HB2 = 3.216(D), Expected = 3.00, Std = 0.3700, ChiSquare = 5.5937e-01 1.F15 HB3 = 3.374(D), Expected = 2.93, Std = 0.4000, ChiSquare = 2.6700e-01 1.F15 HD1 = 7.313(D), Expected = 7.06, Std = 0.3100, ChiSquare = 4.1443e-01 1.F15 HD2 = 7.313(D), Expected = 7.06, Std = 0.3100, ChiSquare = 4.1443e-01 1.F15 HE1 = 7.433(D), Expected = 7.08, Std = 0.3100, ChiSquare = 2.5482e-01 1.F15 HE2 = 7.433(D), Expected = 7.08, Std = 0.3200, ChiSquare = 2.6997e-01 1.F15 N = 120.069(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.2737e-01 1.I16 C = 178.144(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.3217e-01 1.I16 CA = 65.319(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.6637e-01 1.I16 CB = 38.349(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.8936e-01 1.I16 CG1 = 28.037(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.4567e-01 1.I16 CG2 = 18.597(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.3271e-01 1.I16 CD1 = 15.517(D), Expected = 13.43, Std = 1.6700, ChiSquare = 2.1141e-01 1.I16 H = 7.672(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.7126e-01 1.I16 HA = 3.676(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.6812e-01 1.I16 HB = 1.811(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.1487e-01 1.I16 HG12 = 1.652(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.5237e-01 1.I16 HG13 = 0.927(D), Expected = 1.19, Std = 0.4100, ChiSquare = 5.2122e-01 1.I16 HG21 = 0.961(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.7931e-01 1.I16 HG22 = 0.961(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.7931e-01 1.I16 HG23 = 0.961(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.7931e-01 1.I16 HD11 = 0.753(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0125e-01 1.I16 HD12 = 0.753(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0125e-01 1.I16 HD13 = 0.753(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0125e-01 1.I16 N = 123.007(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.1776e-01 1.M17 C = 177.605(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.9535e-01 1.M17 CA = 56.471(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.7140e-01 1.M17 CB = 32.217(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.3003e-01 1.M17 CG = 32.325(D), Expected = 32.01, Std = 1.2400, ChiSquare = 7.9947e-01 1.M17 CE = 18.613(D), Expected = 17.07, Std = 1.5800, ChiSquare = 3.2878e-01 1.M17 H = 8.146(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.4931e-01 1.M17 HA = 4.498(D), Expected = 4.41, Std = 0.4800, ChiSquare = 8.5454e-01 1.M17 HB2 = 2.372(D), Expected = 2.03, Std = 0.3400, ChiSquare = 3.1447e-01 1.M17 HB3 = 2.372(D), Expected = 1.99, Std = 0.3400, ChiSquare = 2.6121e-01 1.M17 HG2 = 1.884(D), Expected = 2.42, Std = 0.3500, ChiSquare = 1.2566e-01 1.M17 HG3 = 1.884(D), Expected = 2.39, Std = 0.3800, ChiSquare = 1.8300e-01 1.M17 HE1 = 1.986(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.3469e-01 1.M17 HE2 = 1.986(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.3469e-01 1.M17 HE3 = 1.986(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.3469e-01 1.M17 N = 118.320(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.2004e-01 1.A18 C = 180.103(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.6726e-01 1.A18 CA = 55.329(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.6892e-01 1.A18 CB = 17.823(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.1658e-01 1.A18 H = 7.927(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.4911e-01 1.A18 HA = 4.254(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.8912e-01 1.A18 HB1 = 1.565(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.0828e-01 1.A18 HB2 = 1.565(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.0828e-01 1.A18 HB3 = 1.565(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.0828e-01 1.A18 N = 120.333(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.1315e-01 1.E19 C = 180.471(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.4796e-02 1.E19 CA = 59.519(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.9273e-01 1.E19 CB = 29.021(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.6529e-01 1.E19 CG = 36.921(D), Expected = 36.11, Std = 1.1900, ChiSquare = 4.9555e-01 1.E19 H = 7.757(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.3146e-01 1.E19 HA = 4.289(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.2422e-01 1.E19 HB2 = 2.239(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.9701e-01 1.E19 HB3 = 2.239(D), Expected = 1.99, Std = 0.2300, ChiSquare = 2.7898e-01 1.E19 HG2 = 2.176(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.5443e-01 1.E19 HG3 = 2.176(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.3660e-01 1.E19 N = 119.070(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.4568e-01 1.L20 C = 177.392(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.3911e-01 1.L20 CA = 59.799(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.9766e-02 1.L20 CB = 41.230(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.6565e-01 1.L20 CG = 27.422(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.5946e-01 1.L20 CD1 = 23.663(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.0619e-01 1.L20 CD2 = 26.655(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.2544e-01 1.L20 H = 8.845(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.4407e-01 1.L20 HA = 3.865(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.3300e-01 1.L20 HB2 = 2.689(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.5060e-03 1.L20 HB3 = 1.658(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.0147e-01 1.L20 HG = 1.786(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.0295e-01 1.L20 HD11 = 1.247(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5898e-02 1.L20 HD12 = 1.247(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5898e-02 1.L20 HD13 = 1.247(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5898e-02 1.L20 HD21 = 1.146(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5143e-01 1.L20 HD22 = 1.146(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5143e-01 1.L20 HD23 = 1.146(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5143e-01 1.L20 N = 125.638(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.3269e-01 1.L21 C = 179.248(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.5412e-01 1.L21 CA = 58.143(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3621e-01 1.L21 CB = 42.004(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.7070e-01 1.L21 CG = 27.203(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.0057e-01 1.L21 CD1 = 25.457(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.4299e-01 1.L21 CD2 = 23.923(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.4045e-01 1.L21 H = 8.463(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.2000e-01 1.L21 HA = 4.081(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.1110e-01 1.L21 HB2 = 1.968(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.9237e-01 1.L21 HB3 = 1.574(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.8076e-01 1.L21 HG = 1.830(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.3220e-01 1.L21 HD11 = 0.910(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6771e-01 1.L21 HD12 = 0.910(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6771e-01 1.L21 HD13 = 0.910(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6771e-01 1.L21 HD21 = 0.764(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.0667e-01 1.L21 HD22 = 0.764(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.0667e-01 1.L21 HD23 = 0.764(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.0667e-01 1.L21 N = 117.761(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.9325e-01 1.Q22 C = 180.763(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.2396e-02 1.Q22 CA = 59.762(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.3581e-01 1.Q22 CB = 28.452(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.8511e-01 1.Q22 CG = 33.722(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.7269e-01 1.Q22 CD = 179.983(D), Expected = 179.69, Std = 1.2900, ChiSquare = 8.2032e-01 1.Q22 H = 9.073(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.4824e-01 1.Q22 HA = 4.093(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.8748e-01 1.Q22 HB2 = 2.289(D), Expected = 2.05, Std = 0.2500, ChiSquare = 3.3907e-01 1.Q22 HB3 = 2.200(D), Expected = 2.02, Std = 0.2800, ChiSquare = 5.2032e-01 1.Q22 HG2 = 2.490(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.2894e-01 1.Q22 HG3 = 2.602(D), Expected = 2.29, Std = 0.2900, ChiSquare = 2.8199e-01 1.Q22 HE21 = 6.890(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.3670e-01 1.Q22 HE22 = 7.486(D), Expected = 7.02, Std = 0.4400, ChiSquare = 2.8956e-01 1.Q22 N = 120.261(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.1792e-01 1.Q22 NE2 = 111.489(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.2469e-01 1.T23 C = 177.970(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.1312e-02 1.T23 CA = 64.422(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.9522e-01 1.T23 CB = 69.422(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.5013e-01 1.T23 CG2 = 22.919(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.1745e-01 1.T23 H = 8.729(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.3028e-01 1.T23 HA = 4.261(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.7845e-01 1.T23 HB = 4.244(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.2257e-01 1.T23 HG1 = 5.704(D), Expected = 4.92, Std = 1.5800, ChiSquare = 6.1975e-01 1.T23 HG21 = 1.558(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.9157e-02 1.T23 HG22 = 1.558(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.9157e-02 1.T23 HG23 = 1.558(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.9157e-02 1.T23 N = 108.117(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.2418e-01 1.E24 C = 177.919(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.9061e-01 1.E24 CA = 60.280(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.5670e-01 1.E24 CB = 28.210(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.9532e-01 1.E24 CG = 35.617(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.7866e-01 1.E24 H = 8.133(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.3846e-01 1.E24 HA = 4.209(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.2034e-01 1.E24 HB2 = 2.290(D), Expected = 2.02, Std = 0.2100, ChiSquare = 1.9854e-01 1.E24 HB3 = 2.290(D), Expected = 1.99, Std = 0.2300, ChiSquare = 1.9211e-01 1.E24 N = 129.474(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.1410e-02 1.K25 C = 179.674(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.2927e-01 1.K25 CA = 60.462(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1041e-01 1.K25 CB = 32.425(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.3753e-01 1.K25 CG = 25.914(D), Expected = 24.89, Std = 1.1300, ChiSquare = 3.6483e-01 1.K25 H = 8.101(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8208e-01 1.K25 HA = 3.928(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.3700e-01 1.K25 HB2 = 1.930(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.4851e-01 1.K25 HB3 = 1.940(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.5885e-01 1.K25 HG2 = 1.516(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.7443e-01 1.K25 HG3 = 1.516(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.5328e-01 1.K25 N = 119.771(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.3442e-01 1.A26 C = 177.730(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.9625e-01 1.A26 CA = 54.874(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.8116e-01 1.A26 CB = 18.641(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.4020e-01 1.A26 H = 7.724(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.2758e-01 1.A26 HA = 4.096(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.0935e-01 1.A26 HB1 = 1.510(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3830e-01 1.A26 HB2 = 1.510(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3830e-01 1.A26 HB3 = 1.510(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3830e-01 1.A26 N = 120.754(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.8428e-01 1.Y27 C = 176.860(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.6315e-01 1.Y27 CA = 59.650(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.4480e-01 1.Y27 CB = 38.726(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.8332e-01 1.Y27 CD1 = 132.165(D), Expected = 132.77, Std = 1.1700, ChiSquare = 6.0509e-01 1.Y27 CD2 = 132.165(D), Expected = 132.73, Std = 1.3000, ChiSquare = 6.6384e-01 1.Y27 CE1 = 117.405(D), Expected = 117.93, Std = 1.1900, ChiSquare = 6.5909e-01 1.Y27 CE2 = 117.405(D), Expected = 117.90, Std = 1.1800, ChiSquare = 6.7486e-01 1.Y27 H = 7.892(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.5767e-01 1.Y27 HA = 4.662(D), Expected = 4.63, Std = 0.5600, ChiSquare = 9.5443e-01 1.Y27 HB2 = 3.231(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.8563e-01 1.Y27 HB3 = 3.172(D), Expected = 2.84, Std = 0.3900, ChiSquare = 3.9461e-01 1.Y27 HD1 = 6.545(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.9938e-01 1.Y27 HD2 = 6.545(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.9938e-01 1.Y27 HE1 = 5.001(S), Expected = 6.70, Std = 0.2300, ChiSquare = 1.5023e-13 1.Y27 HE2 = 5.001(S), Expected = 6.71, Std = 0.2300, ChiSquare = 1.0824e-13 1.Y27 N = 119.893(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.8133e-01 1.V28 C = 177.620(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.9251e-01 1.V28 CA = 67.832(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.1786e-02 1.V28 CB = 32.123(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.3453e-01 1.V28 CG1 = 23.803(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.8993e-02 1.V28 CG2 = 22.704(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.5463e-01 1.V28 H = 8.178(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.6724e-01 1.V28 HA = 3.377(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.6100e-01 1.V28 HB = 2.187(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.1771e-01 1.V28 HG11 = 1.127(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.5333e-01 1.V28 HG12 = 1.127(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.5333e-01 1.V28 HG13 = 1.127(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.5333e-01 1.V28 HG21 = 1.056(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.6057e-01 1.V28 HG22 = 1.056(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.6057e-01 1.V28 HG23 = 1.056(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.6057e-01 1.V28 N = 117.189(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.8416e-01 1.R29 C = 178.950(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.1085e-01 1.R29 CA = 59.487(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.3952e-01 1.R29 CB = 29.676(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.7578e-01 1.R29 CG = 26.890(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.8973e-01 1.R29 CD = 43.400(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.8506e-01 1.R29 H = 7.633(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.1970e-01 1.R29 HA = 4.193(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.1607e-01 1.R29 HB2 = 1.994(D), Expected = 1.79, Std = 0.2700, ChiSquare = 4.4992e-01 1.R29 HB3 = 2.106(D), Expected = 1.76, Std = 0.2800, ChiSquare = 2.1656e-01 1.R29 HG2 = 1.885(D), Expected = 1.57, Std = 0.2700, ChiSquare = 2.4334e-01 1.R29 HG3 = 1.654(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.9424e-01 1.R29 HD2 = 3.278(D), Expected = 3.12, Std = 0.2400, ChiSquare = 5.1032e-01 1.R29 HD3 = 3.215(D), Expected = 3.10, Std = 0.2600, ChiSquare = 6.5827e-01 1.R29 N = 119.556(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.3533e-01 1.D30 C = 178.751(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.7913e-01 1.D30 CA = 57.692(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.3919e-01 1.D30 CB = 40.791(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.5619e-01 1.D30 H = 8.851(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.5094e-01 1.D30 HA = 4.616(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.3524e-01 1.D30 HB2 = 3.159(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.1323e-02 1.D30 HB3 = 3.173(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.6930e-02 1.D30 N = 121.604(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.0479e-01 1.L31 C = 178.461(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.5752e-01 1.L31 CA = 58.380(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9505e-01 1.L31 CB = 42.479(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.2837e-01 1.L31 CG = 26.386(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.2021e-01 1.L31 CD1 = 21.441(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.9183e-02 1.L31 CD2 = 24.947(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.9774e-01 1.L31 H = 8.525(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.4994e-01 1.L31 HA = 3.822(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.8934e-01 1.L31 HB2 = 2.063(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.8274e-01 1.L31 HB3 = 1.131(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.7989e-01 1.L31 HG = 1.507(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.9275e-01 1.L31 HD11 = 0.636(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8390e-01 1.L31 HD12 = 0.636(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8390e-01 1.L31 HD13 = 0.636(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8390e-01 1.L31 HD21 = 0.347(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.8660e-01 1.L31 HD22 = 0.347(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.8660e-01 1.L31 HD23 = 0.347(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.8660e-01 1.L31 N = 118.665(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.1266e-01 1.H32 C = 176.393(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.6178e-01 1.H32 CA = 59.278(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.3250e-01 1.H32 CB = 28.562(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.1758e-01 1.H32 CD2 = 119.793(D), Expected = 120.49, Std = 3.4200, ChiSquare = 8.3851e-01 1.H32 CE1 = 136.758(D), Expected = 137.71, Std = 2.1200, ChiSquare = 6.5339e-01 1.H32 H = 8.309(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.1918e-01 1.H32 HA = 3.411(D), Expected = 4.61, Std = 0.4300, ChiSquare = 5.2974e-03 1.H32 HB2 = 3.332(D), Expected = 3.10, Std = 0.3600, ChiSquare = 5.1929e-01 1.H32 HB3 = 3.389(D), Expected = 3.04, Std = 0.3800, ChiSquare = 3.5840e-01 1.H32 HD2 = 6.932(D), Expected = 7.00, Std = 0.4300, ChiSquare = 8.7435e-01 1.H32 HE1 = 8.215(D), Expected = 7.95, Std = 0.4800, ChiSquare = 5.8089e-01 1.H32 N = 117.450(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.7548e-01 1.E33 C = 178.813(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.1905e-01 1.E33 CA = 59.455(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.0700e-01 1.E33 CB = 30.159(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.3097e-01 1.E33 CG = 37.040(D), Expected = 36.11, Std = 1.1900, ChiSquare = 4.3450e-01 1.E33 H = 8.345(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7972e-01 1.E33 HA = 3.840(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.1731e-01 1.E33 HB2 = 2.230(D), Expected = 2.02, Std = 0.2100, ChiSquare = 3.1731e-01 1.E33 HB3 = 2.232(D), Expected = 1.99, Std = 0.2300, ChiSquare = 2.9272e-01 1.E33 HG2 = 2.155(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.8395e-01 1.E33 HG3 = 2.347(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.5928e-01 1.E33 N = 118.608(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.5350e-01 1.C34 C = 176.085(D), Expected = 174.95, Std = 2.0700, ChiSquare = 5.8348e-01 1.C34 CA = 62.578(D), Expected = 58.30, Std = 3.3300, ChiSquare = 1.9890e-01 1.C34 CB = 26.313(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.0405e-01 1.C34 H = 7.742(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.3346e-01 1.C34 HA = 3.435(D), Expected = 4.66, Std = 0.5500, ChiSquare = 2.5929e-02 1.C34 HB2 = 2.512(D), Expected = 2.96, Std = 0.4400, ChiSquare = 3.0859e-01 1.C34 HB3 = 3.284(D), Expected = 2.89, Std = 0.4600, ChiSquare = 3.9171e-01 1.C34 N = 119.394(D), Expected = 120.17, Std = 4.6400, ChiSquare = 8.6718e-01 1.L35 C = 179.634(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.8176e-01 1.L35 CA = 57.669(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.3606e-01 1.L35 CB = 40.745(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.0516e-01 1.L35 CG = 26.717(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.5433e-01 1.L35 CD1 = 24.049(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.7302e-01 1.L35 CD2 = 25.434(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.1558e-01 1.L35 H = 7.761(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.7058e-01 1.L35 HA = 3.830(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.9716e-01 1.L35 HB2 = 1.716(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.5522e-01 1.L35 HB3 = 1.263(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.7530e-01 1.L35 HG = 1.678(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.1069e-01 1.L35 HD11 = 0.579(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.4139e-01 1.L35 HD12 = 0.579(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.4139e-01 1.L35 HD13 = 0.579(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.4139e-01 1.L35 HD21 = 0.402(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.5804e-01 1.L35 HD22 = 0.402(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.5804e-01 1.L35 HD23 = 0.402(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.5804e-01 1.L35 N = 118.329(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.6526e-01 1.E36 C = 175.283(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.1573e-01 1.E36 CA = 57.674(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.6550e-01 1.E36 CB = 30.081(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.6707e-01 1.E36 CG = 36.091(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.8726e-01 1.E36 H = 7.949(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1843e-01 1.E36 HA = 3.928(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.3224e-01 1.E36 HB2 = 1.725(D), Expected = 2.02, Std = 0.2100, ChiSquare = 1.6009e-01 1.E36 HB3 = 1.580(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.4650e-02 1.E36 HG2 = 1.807(D), Expected = 2.27, Std = 0.2100, ChiSquare = 2.7471e-02 1.E36 HG3 = 1.680(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.5723e-03 1.E36 N = 116.891(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.7751e-01 1.T37 C = 173.800(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.7415e-01 1.T37 CA = 61.157(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.8149e-01 1.T37 CB = 69.155(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.2427e-01 1.T37 CG2 = 20.915(D), Expected = 21.55, Std = 1.1100, ChiSquare = 5.6727e-01 1.T37 H = 7.147(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.7917e-02 1.T37 HA = 3.961(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.9853e-01 1.T37 HB = 2.910(S), Expected = 4.17, Std = 0.3300, ChiSquare = 1.3444e-04 1.T37 HG21 = 0.537(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7482e-03 1.T37 HG22 = 0.537(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7482e-03 1.T37 HG23 = 0.537(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7482e-03 1.T37 N = 108.580(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.4987e-01 1.Y38 C = 176.199(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.8805e-01 1.Y38 CA = 62.732(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.6733e-02 1.Y38 CB = 38.551(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.2183e-01 1.Y38 CD1 = 132.307(D), Expected = 132.77, Std = 1.1700, ChiSquare = 6.9231e-01 1.Y38 CD2 = 132.307(D), Expected = 132.73, Std = 1.3000, ChiSquare = 7.4489e-01 1.Y38 CE1 = 118.537(D), Expected = 117.93, Std = 1.1900, ChiSquare = 6.0999e-01 1.Y38 CE2 = 118.537(D), Expected = 117.90, Std = 1.1800, ChiSquare = 5.8931e-01 1.Y38 H = 8.323(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.9672e-01 1.Y38 HA = 4.382(D), Expected = 4.63, Std = 0.5600, ChiSquare = 6.5787e-01 1.Y38 HB2 = 3.105(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.9817e-01 1.Y38 HB3 = 3.173(D), Expected = 2.84, Std = 0.3900, ChiSquare = 3.9319e-01 1.Y38 HD1 = 7.135(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.9440e-01 1.Y38 HD2 = 7.135(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.9440e-01 1.Y38 HE1 = 7.043(D), Expected = 6.70, Std = 0.2300, ChiSquare = 1.3588e-01 1.Y38 HE2 = 7.043(D), Expected = 6.71, Std = 0.2300, ChiSquare = 1.4767e-01 1.Y38 N = 120.105(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.2129e-01 1.L39 C = 178.555(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.2929e-01 1.L39 CA = 58.423(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.8819e-01 1.L39 CB = 39.932(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.0591e-01 1.L39 CG = 26.785(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.9637e-01 1.L39 CD1 = 26.380(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.9647e-01 1.L39 CD2 = 23.313(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.6463e-01 1.L39 H = 7.244(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2929e-01 1.L39 HA = 3.839(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.0612e-01 1.L39 HB2 = 2.002(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.4893e-01 1.L39 HB3 = 0.065(S), Expected = 1.52, Std = 0.3600, ChiSquare = 5.3073e-05 1.L39 HG = 1.195(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.3981e-01 1.L39 HD11 = 0.621(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4500e-01 1.L39 HD12 = 0.621(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4500e-01 1.L39 HD13 = 0.621(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4500e-01 1.L39 HD21 = 0.375(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2090e-01 1.L39 HD22 = 0.375(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2090e-01 1.L39 HD23 = 0.375(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2090e-01 1.L39 N = 115.969(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3091e-01 1.W40 C = 177.954(D), Expected = 176.12, Std = 2.0100, ChiSquare = 3.6154e-01 1.W40 CA = 61.281(D), Expected = 57.66, Std = 2.5800, ChiSquare = 1.6047e-01 1.W40 CB = 29.278(D), Expected = 30.01, Std = 2.0100, ChiSquare = 7.1572e-01 1.W40 CD1 = 126.758(D), Expected = 126.51, Std = 1.8300, ChiSquare = 8.9220e-01 1.W40 CE3 = 120.313(D), Expected = 120.43, Std = 1.7900, ChiSquare = 9.4789e-01 1.W40 CZ2 = 114.573(D), Expected = 114.26, Std = 1.1200, ChiSquare = 7.7989e-01 1.W40 CZ3 = 121.822(D), Expected = 121.35, Std = 1.5300, ChiSquare = 7.5770e-01 1.W40 CH2 = 124.340(D), Expected = 123.86, Std = 1.4200, ChiSquare = 7.3534e-01 1.W40 H = 6.889(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.6160e-02 1.W40 HA = 3.959(D), Expected = 4.68, Std = 0.5300, ChiSquare = 1.7371e-01 1.W40 HB2 = 3.204(D), Expected = 3.19, Std = 0.3500, ChiSquare = 9.6809e-01 1.W40 HB3 = 2.959(D), Expected = 3.12, Std = 0.3600, ChiSquare = 6.5471e-01 1.W40 HD1 = 7.132(D), Expected = 7.14, Std = 0.3600, ChiSquare = 9.8227e-01 1.W40 HE1 = 10.024(D), Expected = 10.08, Std = 0.6600, ChiSquare = 9.3238e-01 1.W40 HE3 = 7.328(D), Expected = 7.31, Std = 0.4100, ChiSquare = 9.6498e-01 1.W40 HZ2 = 7.386(D), Expected = 7.28, Std = 0.3300, ChiSquare = 7.4805e-01 1.W40 HZ3 = 7.121(D), Expected = 6.86, Std = 0.4000, ChiSquare = 5.1408e-01 1.W40 HH2 = 7.170(D), Expected = 6.98, Std = 0.3900, ChiSquare = 6.2613e-01 1.W40 N = 119.534(D), Expected = 121.68, Std = 4.1800, ChiSquare = 6.0767e-01 1.W40 NE1 = 129.179(D), Expected = 129.32, Std = 2.1100, ChiSquare = 9.4672e-01 1.E41 C = 179.355(D), Expected = 176.87, Std = 1.9500, ChiSquare = 2.0254e-01 1.E41 CA = 59.643(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.6636e-01 1.E41 CB = 28.996(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.5550e-01 1.E41 CG = 36.073(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.7520e-01 1.E41 H = 8.311(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7431e-01 1.E41 HA = 3.915(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.1389e-01 1.E41 HB2 = 2.980(S), Expected = 2.02, Std = 0.2100, ChiSquare = 4.8441e-06 1.E41 HB3 = 2.168(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.3898e-01 1.E41 HG2 = 2.794(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.2587e-02 1.E41 HG3 = 2.409(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.6985e-01 1.E41 N = 114.926(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.8825e-02 1.M42 C = 176.916(D), Expected = 176.18, Std = 2.0900, ChiSquare = 7.2472e-01 1.M42 CA = 59.801(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.7893e-02 1.M42 CB = 33.123(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.5265e-01 1.M42 CG = 34.366(D), Expected = 32.01, Std = 1.2400, ChiSquare = 5.7433e-02 1.M42 CE = 18.746(D), Expected = 17.07, Std = 1.5800, ChiSquare = 2.8880e-01 1.M42 H = 7.610(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.7866e-01 1.M42 HA = 4.386(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.6012e-01 1.M42 HB2 = 2.520(D), Expected = 2.03, Std = 0.3400, ChiSquare = 1.4953e-01 1.M42 HB3 = 2.527(D), Expected = 1.99, Std = 0.3400, ChiSquare = 1.1424e-01 1.M42 HG2 = 3.125(D), Expected = 2.42, Std = 0.3500, ChiSquare = 4.3980e-02 1.M42 HG3 = 2.725(D), Expected = 2.39, Std = 0.3800, ChiSquare = 3.7800e-01 1.M42 HE1 = 2.204(D), Expected = 1.89, Std = 0.4600, ChiSquare = 4.9485e-01 1.M42 HE2 = 2.204(D), Expected = 1.89, Std = 0.4600, ChiSquare = 4.9485e-01 1.M42 HE3 = 2.204(D), Expected = 1.89, Std = 0.4600, ChiSquare = 4.9485e-01 1.M42 N = 115.739(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.2293e-01 1.T43 C = 177.129(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.4128e-01 1.T43 CA = 63.303(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.7584e-01 1.T43 CB = 69.854(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.3936e-01 1.T43 CG2 = 21.377(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.7615e-01 1.T43 H = 8.007(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.0706e-01 1.T43 HA = 4.230(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.3182e-01 1.T43 HB = 4.193(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.4444e-01 1.T43 HG21 = 1.160(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3071e-01 1.T43 HG22 = 1.160(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3071e-01 1.T43 HG23 = 1.160(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3071e-01 1.T43 N = 107.819(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.0955e-01 1.S44 C = 174.175(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.9585e-01 1.S44 CA = 58.922(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.2226e-01 1.S44 CB = 64.384(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.9314e-01 1.S44 H = 8.190(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.7876e-01 1.S44 HA = 4.283(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.2237e-01 1.S44 HB2 = 3.075(D), Expected = 3.88, Std = 0.2500, ChiSquare = 1.2819e-03 1.S44 HB3 = 2.217(S), Expected = 3.85, Std = 0.2700, ChiSquare = 1.4652e-09 1.S44 N = 116.046(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.4700e-01 1.G45 C = 174.569(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.1004e-01 1.G45 CA = 45.313(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7797e-01 1.G45 H = 7.329(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.2356e-01 1.G45 HA2 = 3.891(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.3093e-01 1.G45 HA3 = 4.084(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.1898e-01 1.G45 N = 108.939(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5018e-01 1.V46 C = 177.080(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.4224e-01 1.V46 CA = 62.178(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1313e-01 1.V46 CB = 32.431(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.6734e-01 1.V46 CG1 = 21.142(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.9804e-01 1.V46 CG2 = 19.655(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.0355e-01 1.V46 H = 8.354(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2390e-01 1.V46 HA = 4.319(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.2399e-01 1.V46 HB = 2.334(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.6862e-01 1.V46 HG11 = 0.928(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0623e-01 1.V46 HG12 = 0.928(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0623e-01 1.V46 HG13 = 0.928(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0623e-01 1.V46 HG21 = 0.896(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3171e-01 1.V46 HG22 = 0.896(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3171e-01 1.V46 HG23 = 0.896(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3171e-01 1.V46 N = 113.273(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3128e-02 1.E47 C = 176.523(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.5876e-01 1.E47 CA = 55.517(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.8831e-01 1.E47 CB = 29.927(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.6151e-01 1.E47 CG = 35.726(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.4693e-01 1.E47 H = 8.264(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.1093e-01 1.E47 HA = 4.377(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.5675e-01 1.E47 HB2 = 1.991(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.9017e-01 1.E47 HB3 = 2.215(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.2795e-01 1.E47 HG2 = 2.338(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.4608e-01 1.E47 HG3 = 2.340(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.8247e-01 1.E47 N = 121.466(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.1907e-01 1.E48 C = 175.575(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.0662e-01 1.E48 CA = 56.752(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.8580e-01 1.E48 CB = 29.675(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.4558e-01 1.E48 CG = 36.246(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.0901e-01 1.E48 H = 8.582(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.6929e-01 1.E48 HA = 4.125(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.6046e-01 1.E48 HB2 = 1.958(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.6781e-01 1.E48 HB3 = 1.958(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.8935e-01 1.E48 HG2 = 2.250(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.2413e-01 1.E48 HG3 = 2.250(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.0000e+00 1.E48 N = 121.193(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.8054e-01 1.I49 C = 173.927(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.1656e-01 1.I49 CA = 58.058(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.8505e-01 1.I49 CB = 39.372(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.1338e-01 1.I49 CG1 = 27.927(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.9723e-01 1.I49 CG2 = 16.761(D), Expected = 17.53, Std = 1.3600, ChiSquare = 5.7177e-01 1.I49 CD1 = 13.873(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.9080e-01 1.I49 H = 8.136(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.3229e-01 1.I49 HA = 3.703(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.9433e-01 1.I49 HB = 1.578(D), Expected = 1.78, Std = 0.2900, ChiSquare = 4.8608e-01 1.I49 HG12 = 1.549(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.0127e-01 1.I49 HG13 = 0.996(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.3609e-01 1.I49 HG21 = 0.545(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.0466e-01 1.I49 HG22 = 0.545(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.0466e-01 1.I49 HG23 = 0.545(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.0466e-01 1.I49 HD11 = 0.893(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6265e-01 1.I49 HD12 = 0.893(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6265e-01 1.I49 HD13 = 0.893(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6265e-01 1.I49 N = 127.963(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.2866e-01 1.P50 CA = 62.375(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.2981e-01 1.P50 CB = 34.603(D), Expected = 31.85, Std = 1.1800, ChiSquare = 1.9645e-02 1.P50 CG = 24.760(D), Expected = 27.17, Std = 1.0900, ChiSquare = 2.7035e-02 1.P50 CD = 50.187(D), Expected = 50.32, Std = 0.9900, ChiSquare = 8.9313e-01 1.P50 HA = 4.518(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.2066e-01 1.P50 HB2 = 2.363(D), Expected = 2.08, Std = 0.3500, ChiSquare = 4.1876e-01 1.P50 HB3 = 2.125(D), Expected = 2.00, Std = 0.3600, ChiSquare = 7.2842e-01 1.P50 HG2 = 1.956(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.3316e-01 1.P50 HG3 = 1.800(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.6187e-01 1.P50 HD2 = 3.586(D), Expected = 3.65, Std = 0.3500, ChiSquare = 8.5491e-01 1.P50 HD3 = 3.586(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.5093e-01 1.P51 C = 178.934(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.4808e-01 1.P51 CA = 65.035(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.6199e-01 1.P51 CB = 31.899(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.6688e-01 1.P51 CG = 27.578(D), Expected = 27.17, Std = 1.0900, ChiSquare = 7.0817e-01 1.P51 CD = 50.718(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.8767e-01 1.P51 HA = 4.097(D), Expected = 4.40, Std = 0.3300, ChiSquare = 3.5852e-01 1.P51 HB2 = 1.942(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.9337e-01 1.P51 HB3 = 2.358(D), Expected = 2.00, Std = 0.3600, ChiSquare = 3.2001e-01 1.P51 HG2 = 2.087(D), Expected = 1.93, Std = 0.3100, ChiSquare = 6.1254e-01 1.P51 HG3 = 2.090(D), Expected = 1.90, Std = 0.3300, ChiSquare = 5.6478e-01 1.P51 HD2 = 3.854(D), Expected = 3.65, Std = 0.3500, ChiSquare = 5.5999e-01 1.P51 HD3 = 3.854(D), Expected = 3.61, Std = 0.3900, ChiSquare = 5.3155e-01 1.G52 C = 173.879(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.9618e-01 1.G52 CA = 45.744(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.6873e-01 1.G52 H = 8.913(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.6976e-01 1.G52 HA2 = 3.799(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.4396e-01 1.G52 HA3 = 3.497(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.7607e-01 1.G52 N = 104.005(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.4324e-01 1.I53 C = 173.750(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.7406e-01 1.I53 CA = 60.359(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.4065e-01 1.I53 CB = 38.848(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.1406e-01 1.I53 CG1 = 26.143(D), Expected = 27.71, Std = 1.6800, ChiSquare = 3.5096e-01 1.I53 CG2 = 18.245(D), Expected = 17.53, Std = 1.3600, ChiSquare = 5.9907e-01 1.I53 CD1 = 14.529(D), Expected = 13.43, Std = 1.6700, ChiSquare = 5.1048e-01 1.I53 H = 7.372(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.8178e-01 1.I53 HA = 4.508(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.5807e-01 1.I53 HB = 2.065(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.2573e-01 1.I53 HG12 = 0.992(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.7153e-01 1.I53 HG13 = 0.848(D), Expected = 1.19, Std = 0.4100, ChiSquare = 4.0420e-01 1.I53 HG21 = 0.671(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1387e-01 1.I53 HG22 = 0.671(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1387e-01 1.I53 HG23 = 0.671(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.1387e-01 1.I53 HD11 = 0.539(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2682e-01 1.I53 HD12 = 0.539(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2682e-01 1.I53 HD13 = 0.539(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2682e-01 1.I53 N = 106.751(S), Expected = 121.46, Std = 4.2800, ChiSquare = 5.8889e-04 1.L54 C = 177.314(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.7002e-01 1.L54 CA = 56.769(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.8959e-01 1.L54 CB = 42.087(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.0558e-01 1.L54 CG = 26.537(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.2516e-01 1.L54 CD1 = 23.668(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.0821e-01 1.L54 CD2 = 25.676(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.3883e-01 1.L54 H = 6.757(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.3442e-02 1.L54 HA = 3.832(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.9913e-01 1.L54 HB2 = 1.275(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.2448e-01 1.L54 HB3 = 1.637(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.4518e-01 1.L54 HG = 1.522(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.7099e-01 1.L54 HD11 = 0.900(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.9216e-01 1.L54 HD12 = 0.900(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.9216e-01 1.L54 HD13 = 0.900(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.9216e-01 1.L54 HD21 = 0.897(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6471e-01 1.L54 HD22 = 0.897(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6471e-01 1.L54 HD23 = 0.897(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6471e-01 1.L54 N = 124.295(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3239e-01 1.N55 C = 176.345(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.4813e-01 1.N55 CA = 55.628(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.6672e-01 1.N55 CB = 37.222(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.8504e-01 1.N55 CG = 178.492(D), Expected = 176.76, Std = 1.3800, ChiSquare = 2.0945e-01 1.N55 H = 9.823(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.8574e-02 1.N55 HA = 4.908(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.0854e-01 1.N55 HB2 = 3.175(D), Expected = 2.81, Std = 0.3100, ChiSquare = 2.3903e-01 1.N55 HB3 = 3.068(D), Expected = 2.75, Std = 0.3300, ChiSquare = 3.3523e-01 1.N55 HD21 = 7.015(D), Expected = 7.35, Std = 0.4800, ChiSquare = 4.8523e-01 1.N55 HD22 = 7.786(D), Expected = 7.14, Std = 0.4900, ChiSquare = 1.8738e-01 1.N55 N = 119.980(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.9444e-01 1.N55 ND2 = 112.834(D), Expected = 112.75, Std = 2.2300, ChiSquare = 9.6995e-01 1.K56 C = 178.518(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.4773e-01 1.K56 CA = 55.577(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.3257e-01 1.K56 CB = 31.968(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.4423e-01 1.K56 CG = 24.891(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.9929e-01 1.K56 CD = 29.301(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.5220e-01 1.K56 CE = 42.678(D), Expected = 41.89, Std = 0.8200, ChiSquare = 3.3656e-01 1.K56 H = 7.994(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.4392e-01 1.K56 HA = 4.912(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.4454e-01 1.K56 HB2 = 2.054(D), Expected = 1.78, Std = 0.2500, ChiSquare = 2.7308e-01 1.K56 HB3 = 2.067(D), Expected = 1.74, Std = 0.2700, ChiSquare = 2.2585e-01 1.K56 HG2 = 1.105(D), Expected = 1.37, Std = 0.2600, ChiSquare = 3.0809e-01 1.K56 HG3 = 1.356(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.8290e-01 1.K56 HD2 = 1.579(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.8794e-01 1.K56 HD3 = 1.579(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.2395e-01 1.K56 HE2 = 2.916(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.8320e-01 1.K56 HE3 = 2.917(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.7208e-01 1.K56 N = 114.668(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.0486e-02 1.E57 C = 177.572(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.1885e-01 1.E57 CA = 60.867(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.9672e-02 1.E57 CB = 27.839(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.0687e-01 1.E57 CG = 34.784(D), Expected = 36.11, Std = 1.1900, ChiSquare = 2.6516e-01 1.E57 H = 11.119(S), Expected = 8.33, Std = 0.5900, ChiSquare = 2.2773e-06 1.E57 HA = 4.254(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.9222e-01 1.E57 HB2 = 2.091(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.3529e-01 1.E57 HB3 = 2.182(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.0384e-01 1.E57 HG2 = 2.467(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.4820e-01 1.E57 HG3 = 2.467(D), Expected = 2.25, Std = 0.2200, ChiSquare = 3.2395e-01 1.E57 N = 125.277(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.8555e-01 1.H58 C = 177.299(D), Expected = 175.25, Std = 1.9700, ChiSquare = 2.9829e-01 1.H58 CA = 58.626(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.6193e-01 1.H58 CB = 28.792(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.8423e-01 1.H58 CD2 = 119.031(D), Expected = 120.49, Std = 3.4200, ChiSquare = 6.6966e-01 1.H58 CE1 = 138.860(D), Expected = 137.71, Std = 2.1200, ChiSquare = 5.8751e-01 1.H58 H = 8.979(D), Expected = 8.24, Std = 0.6800, ChiSquare = 2.7714e-01 1.H58 HA = 4.707(D), Expected = 4.61, Std = 0.4300, ChiSquare = 8.2153e-01 1.H58 HB2 = 3.109(D), Expected = 3.10, Std = 0.3600, ChiSquare = 9.8006e-01 1.H58 HB3 = 3.197(D), Expected = 3.04, Std = 0.3800, ChiSquare = 6.7949e-01 1.H58 HD2 = 7.066(D), Expected = 7.00, Std = 0.4300, ChiSquare = 8.7801e-01 1.H58 HE1 = 8.043(D), Expected = 7.95, Std = 0.4800, ChiSquare = 8.4637e-01 1.H58 N = 118.871(D), Expected = 119.69, Std = 4.0000, ChiSquare = 8.3777e-01 1.I59 C = 177.791(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.1205e-01 1.I59 CA = 62.376(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.7502e-01 1.I59 CB = 37.493(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.7352e-01 1.I59 CG2 = 17.925(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.7148e-01 1.I59 CD1 = 12.100(D), Expected = 13.43, Std = 1.6700, ChiSquare = 4.2580e-01 1.I59 H = 7.010(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.1811e-02 1.I59 HA = 3.986(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.2902e-01 1.I59 HB = 1.704(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.9327e-01 1.I59 HG21 = 0.745(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2623e-01 1.I59 HG22 = 0.745(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2623e-01 1.I59 HG23 = 0.745(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.2623e-01 1.I59 HD11 = 0.743(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.2802e-01 1.I59 HD12 = 0.743(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.2802e-01 1.I59 HD13 = 0.743(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.2802e-01 1.I59 N = 121.148(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.4189e-01 1.I60 C = 177.871(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.9252e-01 1.I60 CA = 64.828(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.2985e-01 1.I60 CB = 38.859(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.0974e-01 1.I60 CG1 = 29.724(D), Expected = 27.71, Std = 1.6800, ChiSquare = 2.3060e-01 1.I60 CG2 = 16.420(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.1440e-01 1.I60 CD1 = 13.854(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.9958e-01 1.I60 H = 7.717(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.0770e-01 1.I60 HA = 3.352(D), Expected = 4.18, Std = 0.5600, ChiSquare = 1.3925e-01 1.I60 HB = 1.542(D), Expected = 1.78, Std = 0.2900, ChiSquare = 4.1182e-01 1.I60 HG12 = 1.765(D), Expected = 1.28, Std = 0.4000, ChiSquare = 2.2532e-01 1.I60 HG13 = 0.922(D), Expected = 1.19, Std = 0.4100, ChiSquare = 5.1333e-01 1.I60 HG21 = -0.181(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.2795e-04 1.I60 HG22 = -0.181(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.2795e-04 1.I60 HG23 = -0.181(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.2795e-04 1.I60 HD11 = 0.977(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.0577e-01 1.I60 HD12 = 0.977(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.0577e-01 1.I60 HD13 = 0.977(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.0577e-01 1.I60 N = 116.844(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.8081e-01 1.F61 C = 174.823(D), Expected = 175.42, Std = 1.9900, ChiSquare = 7.6418e-01 1.F61 CA = 59.508(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.7846e-01 1.F61 CB = 38.531(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.8512e-01 1.F61 CD1 = 132.360(D), Expected = 131.58, Std = 1.1800, ChiSquare = 5.0860e-01 1.F61 CD2 = 132.360(D), Expected = 131.63, Std = 1.1200, ChiSquare = 5.1454e-01 1.F61 CE1 = 131.212(D), Expected = 130.71, Std = 1.3000, ChiSquare = 6.9938e-01 1.F61 CE2 = 131.212(D), Expected = 130.76, Std = 1.1300, ChiSquare = 6.8916e-01 1.F61 CZ = 129.258(D), Expected = 129.21, Std = 1.4300, ChiSquare = 9.7322e-01 1.F61 H = 8.557(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.8438e-01 1.F61 HA = 4.204(D), Expected = 4.63, Std = 0.5700, ChiSquare = 4.5484e-01 1.F61 HB2 = 3.360(D), Expected = 3.00, Std = 0.3700, ChiSquare = 3.3057e-01 1.F61 HB3 = 3.008(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.4539e-01 1.F61 HD1 = 7.464(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.9250e-01 1.F61 HD2 = 7.464(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.9250e-01 1.F61 HE1 = 7.333(D), Expected = 7.08, Std = 0.3100, ChiSquare = 4.1443e-01 1.F61 HE2 = 7.333(D), Expected = 7.08, Std = 0.3200, ChiSquare = 4.2916e-01 1.F61 HZ = 6.904(D), Expected = 7.00, Std = 0.4200, ChiSquare = 8.1920e-01 1.F61 N = 113.329(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.8458e-02 1.G62 C = 173.787(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6479e-01 1.G62 CA = 47.628(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.9131e-02 1.G62 H = 6.789(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.7751e-02 1.G62 HA2 = 3.779(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.0570e-01 1.G62 HA3 = 3.998(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.9111e-01 1.G62 N = 106.394(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.9727e-01 1.N63 C = 176.634(D), Expected = 175.27, Std = 1.7900, ChiSquare = 4.4605e-01 1.N63 CA = 52.386(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.3933e-01 1.N63 CB = 35.828(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.0362e-02 1.N63 H = 8.855(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.1367e-01 1.N63 HA = 5.220(D), Expected = 4.67, Std = 0.3600, ChiSquare = 1.2657e-01 1.N63 HB2 = 3.353(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.9840e-02 1.N63 HB3 = 2.682(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.3674e-01 1.N63 HD21 = 7.289(D), Expected = 7.35, Std = 0.4800, ChiSquare = 8.9887e-01 1.N63 HD22 = 7.943(D), Expected = 7.14, Std = 0.4900, ChiSquare = 1.0126e-01 1.N63 N = 124.618(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.5812e-01 1.N63 ND2 = 108.101(D), Expected = 112.75, Std = 2.2300, ChiSquare = 3.7092e-02 1.I64 C = 175.978(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.4685e-01 1.I64 CA = 66.366(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.5960e-02 1.I64 CB = 38.093(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.9036e-01 1.I64 CG1 = 31.084(D), Expected = 27.71, Std = 1.6800, ChiSquare = 4.4608e-02 1.I64 CG2 = 18.493(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.7889e-01 1.I64 CD1 = 14.279(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.1118e-01 1.I64 H = 8.086(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.7542e-01 1.I64 HA = 3.844(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.4851e-01 1.I64 HB = 2.629(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.4160e-03 1.I64 HG12 = 1.343(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.7485e-01 1.I64 HG13 = 1.389(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.2742e-01 1.I64 HG21 = 1.137(D), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7406e-01 1.I64 HG22 = 1.137(D), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7406e-01 1.I64 HG23 = 1.137(D), Expected = 0.77, Std = 0.2700, ChiSquare = 1.7406e-01 1.I64 HD11 = 1.040(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.1447e-01 1.I64 HD12 = 1.040(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.1447e-01 1.I64 HD13 = 1.040(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.1447e-01 1.I64 N = 119.817(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.0107e-01 1.Q65 C = 176.995(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.2538e-01 1.Q65 CA = 59.713(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.4192e-01 1.Q65 CB = 28.677(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.7804e-01 1.Q65 CG = 34.123(D), Expected = 33.76, Std = 1.1100, ChiSquare = 7.4365e-01 1.Q65 CD = 179.702(D), Expected = 179.69, Std = 1.2900, ChiSquare = 9.9258e-01 1.Q65 H = 9.177(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.0480e-01 1.Q65 HA = 3.972(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.9823e-01 1.Q65 HB2 = 2.037(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.5853e-01 1.Q65 HB3 = 2.087(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.1088e-01 1.Q65 HG2 = 2.268(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.4728e-01 1.Q65 HG3 = 2.390(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.3022e-01 1.Q65 HE21 = 7.930(D), Expected = 7.24, Std = 0.4500, ChiSquare = 1.2519e-01 1.Q65 HE22 = 6.770(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.6991e-01 1.Q65 N = 122.174(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.2579e-01 1.Q65 NE2 = 114.295(D), Expected = 111.87, Std = 1.7200, ChiSquare = 1.5857e-01 1.E66 C = 179.930(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.1659e-01 1.E66 CA = 59.410(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1731e-01 1.E66 CB = 29.681(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.4831e-01 1.E66 CG = 36.888(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.1325e-01 1.E66 H = 7.660(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.5613e-01 1.E66 HA = 4.194(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.9136e-01 1.E66 HB2 = 2.406(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.6049e-02 1.E66 HB3 = 2.215(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.2795e-01 1.E66 HG2 = 2.540(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.9854e-01 1.E66 HG3 = 2.422(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.3432e-01 1.E66 N = 120.183(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.8871e-01 1.I67 C = 177.763(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.1908e-01 1.I67 CA = 66.377(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.5284e-02 1.I67 CB = 38.774(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.4317e-01 1.I67 CG1 = 29.878(D), Expected = 27.71, Std = 1.6800, ChiSquare = 1.9689e-01 1.I67 CG2 = 18.610(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.2713e-01 1.I67 CD1 = 12.494(D), Expected = 13.43, Std = 1.6700, ChiSquare = 5.7515e-01 1.I67 H = 7.683(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.7998e-01 1.I67 HA = 3.911(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.3097e-01 1.I67 HB = 1.783(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.9175e-01 1.I67 HG12 = 1.703(D), Expected = 1.28, Std = 0.4000, ChiSquare = 2.9028e-01 1.I67 HG13 = 0.345(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.9305e-02 1.I67 HG21 = 0.941(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.2652e-01 1.I67 HG22 = 0.941(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.2652e-01 1.I67 HG23 = 0.941(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.2652e-01 1.I67 HD11 = 0.069(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.5127e-02 1.I67 HD12 = 0.069(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.5127e-02 1.I67 HD13 = 0.069(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.5127e-02 1.I67 N = 122.514(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.0548e-01 1.Y68 C = 176.231(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.7625e-01 1.Y68 CA = 62.234(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.0204e-01 1.Y68 CB = 38.061(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.5998e-01 1.Y68 CD1 = 133.579(D), Expected = 132.77, Std = 1.1700, ChiSquare = 4.8928e-01 1.Y68 CD2 = 133.579(D), Expected = 132.73, Std = 1.3000, ChiSquare = 5.1371e-01 1.Y68 CE1 = 117.918(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.9195e-01 1.Y68 CE2 = 117.918(D), Expected = 117.90, Std = 1.1800, ChiSquare = 9.8783e-01 1.Y68 H = 8.804(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.0732e-01 1.Y68 HA = 3.931(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.1195e-01 1.Y68 HB2 = 2.908(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.9569e-01 1.Y68 HB3 = 3.135(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.4940e-01 1.Y68 HD1 = 7.071(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.3835e-01 1.Y68 HD2 = 7.071(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.3835e-01 1.Y68 HE1 = 6.818(D), Expected = 6.70, Std = 0.2300, ChiSquare = 6.0792e-01 1.Y68 HE2 = 6.818(D), Expected = 6.71, Std = 0.2300, ChiSquare = 6.3867e-01 1.Y68 N = 120.420(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.8100e-01 1.D69 C = 178.330(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.7009e-01 1.D69 CA = 57.644(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.4562e-01 1.D69 CB = 40.479(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.0450e-01 1.D69 H = 8.700(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.0132e-01 1.D69 HA = 3.949(D), Expected = 4.59, Std = 0.3200, ChiSquare = 4.5164e-02 1.D69 HB2 = 2.755(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.9292e-01 1.D69 HB3 = 2.590(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.0259e-01 1.D69 N = 118.528(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.8250e-01 1.F70 C = 178.620(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.0783e-01 1.F70 CA = 60.225(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.0393e-01 1.F70 CB = 39.199(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.0508e-01 1.F70 CD1 = 132.005(D), Expected = 131.58, Std = 1.1800, ChiSquare = 7.1872e-01 1.F70 CD2 = 132.005(D), Expected = 131.63, Std = 1.1200, ChiSquare = 7.3776e-01 1.F70 H = 7.825(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.5745e-01 1.F70 HA = 4.464(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.7088e-01 1.F70 HB2 = 3.256(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.8901e-01 1.F70 HB3 = 3.082(D), Expected = 2.93, Std = 0.4000, ChiSquare = 7.0395e-01 1.F70 HD1 = 6.729(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.8564e-01 1.F70 HD2 = 6.729(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.8564e-01 1.F70 N = 118.974(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.2401e-01 1.H71 C = 175.816(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.7388e-01 1.H71 CA = 61.505(D), Expected = 56.52, Std = 2.3100, ChiSquare = 3.0927e-02 1.H71 CB = 28.575(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.2120e-01 1.H71 CE1 = 142.160(D), Expected = 137.71, Std = 2.1200, ChiSquare = 3.5812e-02 1.H71 H = 8.312(D), Expected = 8.24, Std = 0.6800, ChiSquare = 9.1568e-01 1.H71 HA = 3.516(D), Expected = 4.61, Std = 0.4300, ChiSquare = 1.0953e-02 1.H71 HB2 = 3.131(D), Expected = 3.10, Std = 0.3600, ChiSquare = 9.3138e-01 1.H71 HB3 = 2.835(D), Expected = 3.04, Std = 0.3800, ChiSquare = 5.8956e-01 1.H71 HE1 = 8.768(D), Expected = 7.95, Std = 0.4800, ChiSquare = 8.8350e-02 1.H71 N = 121.057(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.3254e-01 1.N72 C = 175.992(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.8669e-01 1.N72 CA = 56.248(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.4975e-01 1.N72 CB = 39.859(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.8912e-01 1.N72 CG = 174.688(D), Expected = 176.76, Std = 1.3800, ChiSquare = 1.3324e-01 1.N72 H = 9.105(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.2464e-01 1.N72 HA = 4.230(D), Expected = 4.67, Std = 0.3600, ChiSquare = 2.2162e-01 1.N72 HB2 = 1.973(D), Expected = 2.81, Std = 0.3100, ChiSquare = 6.9339e-03 1.N72 HB3 = 1.708(D), Expected = 2.75, Std = 0.3300, ChiSquare = 1.5909e-03 1.N72 HD21 = 7.264(D), Expected = 7.35, Std = 0.4800, ChiSquare = 8.5781e-01 1.N72 HD22 = 6.586(D), Expected = 7.14, Std = 0.4900, ChiSquare = 2.5822e-01 1.N72 N = 114.834(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.0945e-01 1.N72 ND2 = 114.690(D), Expected = 112.75, Std = 2.2300, ChiSquare = 3.8433e-01 1.N73 C = 175.986(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.8916e-01 1.N73 CA = 54.256(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.0331e-01 1.N73 CB = 39.242(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.4395e-01 1.N73 CG = 176.853(D), Expected = 176.76, Std = 1.3800, ChiSquare = 9.4627e-01 1.N73 H = 8.141(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.5210e-01 1.N73 HA = 4.602(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.5018e-01 1.N73 HB2 = 2.909(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.4946e-01 1.N73 HB3 = 2.670(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.0845e-01 1.N73 HD21 = 7.098(D), Expected = 7.35, Std = 0.4800, ChiSquare = 5.9958e-01 1.N73 HD22 = 7.587(D), Expected = 7.14, Std = 0.4900, ChiSquare = 3.6164e-01 1.N73 N = 110.825(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.4308e-02 1.N73 ND2 = 112.991(D), Expected = 112.75, Std = 2.2300, ChiSquare = 9.1394e-01 1.I74 C = 177.194(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.8393e-01 1.I74 CA = 62.939(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.1997e-01 1.I74 CB = 40.218(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.3179e-01 1.I74 CG1 = 27.384(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.4614e-01 1.I74 CG2 = 16.169(D), Expected = 17.53, Std = 1.3600, ChiSquare = 3.1695e-01 1.I74 CD1 = 13.130(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.5743e-01 1.I74 H = 7.346(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.6959e-01 1.I74 HA = 3.953(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.8521e-01 1.I74 HB = 1.416(D), Expected = 1.78, Std = 0.2900, ChiSquare = 2.0942e-01 1.I74 HG12 = 1.241(D), Expected = 1.28, Std = 0.4000, ChiSquare = 9.2233e-01 1.I74 HG13 = 0.767(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.0221e-01 1.I74 HG21 = -0.393(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6518e-05 1.I74 HG22 = -0.393(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6518e-05 1.I74 HG23 = -0.393(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6518e-05 1.I74 HD11 = 0.754(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.9859e-01 1.I74 HD12 = 0.754(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.9859e-01 1.I74 HD13 = 0.754(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.9859e-01 1.I74 N = 117.425(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.4581e-01 1.F75 C = 176.275(D), Expected = 175.42, Std = 1.9900, ChiSquare = 6.6745e-01 1.F75 CA = 64.676(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.0272e-02 1.F75 CB = 39.720(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.9721e-01 1.F75 CD1 = 131.374(D), Expected = 131.58, Std = 1.1800, ChiSquare = 8.6141e-01 1.F75 CD2 = 131.374(D), Expected = 131.63, Std = 1.1200, ChiSquare = 8.1920e-01 1.F75 H = 7.780(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.2050e-01 1.F75 HA = 3.332(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.2775e-02 1.F75 HB2 = 2.238(D), Expected = 3.00, Std = 0.3700, ChiSquare = 3.9450e-02 1.F75 HB3 = 1.092(S), Expected = 2.93, Std = 0.4000, ChiSquare = 4.3275e-06 1.F75 HD1 = 6.904(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.1481e-01 1.F75 HD2 = 6.904(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.1481e-01 1.F75 HE1 = 6.932(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.3306e-01 1.F75 HE2 = 6.932(D), Expected = 7.08, Std = 0.3200, ChiSquare = 6.4372e-01 1.F75 N = 121.152(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.6663e-01 1.L76 C = 177.501(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.9634e-01 1.L76 CA = 59.567(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.3875e-02 1.L76 CB = 40.248(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.7273e-01 1.L76 CG = 26.793(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.9057e-01 1.L76 CD1 = 26.861(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.7813e-01 1.L76 CD2 = 23.717(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.4470e-01 1.L76 H = 8.434(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.5364e-01 1.L76 HA = 3.988(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.7995e-01 1.L76 HB2 = 1.689(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.1626e-01 1.L76 HB3 = 1.924(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.6177e-01 1.L76 HG = 0.929(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.8305e-02 1.L76 HD11 = 0.934(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.1109e-01 1.L76 HD12 = 0.934(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.1109e-01 1.L76 HD13 = 0.934(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.1109e-01 1.L76 HD21 = 0.916(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.2128e-01 1.L76 HD22 = 0.916(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.2128e-01 1.L76 HD23 = 0.916(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.2128e-01 1.L76 N = 118.095(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.3435e-01 1.K77 C = 179.666(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.3028e-01 1.K77 CA = 58.474(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8848e-01 1.K77 CB = 31.848(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.9666e-01 1.K77 CG = 25.238(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.5811e-01 1.K77 CD = 28.974(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.8966e-01 1.K77 CE = 42.129(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.7070e-01 1.K77 H = 7.434(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.0767e-01 1.K77 HA = 4.015(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.6222e-01 1.K77 HB2 = 1.675(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.7449e-01 1.K77 HB3 = 1.676(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.1263e-01 1.K77 HG2 = 1.350(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.3868e-01 1.K77 HG3 = 1.350(D), Expected = 1.35, Std = 0.2800, ChiSquare = 1.0000e+00 1.K77 HD2 = 1.598(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.5650e-01 1.K77 HD3 = 1.598(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.9275e-01 1.K77 HE2 = 2.970(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.9243e-01 1.K77 HE3 = 2.971(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.6037e-01 1.K77 N = 115.373(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.3211e-01 1.E78 C = 178.278(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.7026e-01 1.E78 CA = 58.859(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.6151e-01 1.E78 CB = 29.275(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.6914e-01 1.E78 CG = 36.683(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.3015e-01 1.E78 H = 7.645(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.4563e-01 1.E78 HA = 4.064(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.5007e-01 1.E78 HB2 = 2.068(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.1920e-01 1.E78 HB3 = 1.786(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.7510e-01 1.E78 HG2 = 2.209(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.7145e-01 1.E78 HG3 = 2.306(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.9907e-01 1.E78 N = 119.437(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.2311e-01 1.L79 C = 180.302(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.4381e-02 1.L79 CA = 57.955(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7297e-01 1.L79 CB = 42.889(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.5810e-01 1.L79 CD1 = 26.057(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.0042e-01 1.L79 CD2 = 23.193(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.1418e-01 1.L79 H = 8.123(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6925e-01 1.L79 HA = 3.866(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.3407e-01 1.L79 HB2 = 0.933(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.6462e-02 1.L79 HB3 = 1.838(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.7706e-01 1.L79 HG = 0.878(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.5473e-02 1.L79 HD11 = 0.669(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7236e-01 1.L79 HD12 = 0.669(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7236e-01 1.L79 HD13 = 0.669(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7236e-01 1.L79 HD21 = 0.377(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2351e-01 1.L79 HD22 = 0.377(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2351e-01 1.L79 HD23 = 0.377(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.2351e-01 1.L79 N = 118.393(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.7402e-01 1.E80 C = 179.608(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.6029e-01 1.E80 CA = 59.875(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.2152e-01 1.E80 CB = 30.063(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.7542e-01 1.E80 CG = 38.068(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.9892e-02 1.E80 H = 8.121(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.2316e-01 1.E80 HA = 3.742(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.1534e-01 1.E80 HB2 = 2.152(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.2963e-01 1.E80 HB3 = 1.957(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.8591e-01 1.E80 HG2 = 2.146(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.5487e-01 1.E80 HG3 = 2.619(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.3489e-02 1.E80 N = 115.749(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.5734e-01 1.K81 C = 178.084(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.7029e-01 1.K81 CA = 58.765(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.0937e-01 1.K81 CB = 31.921(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.2541e-01 1.K81 CG = 25.227(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.6553e-01 1.K81 CD = 29.683(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.0321e-01 1.K81 CE = 42.241(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.6862e-01 1.K81 H = 7.509(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.5638e-01 1.K81 HA = 3.984(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.1569e-01 1.K81 HB2 = 1.897(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.3978e-01 1.K81 HB3 = 1.552(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.8624e-01 1.K81 HG2 = 1.683(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.2865e-01 1.K81 HG3 = 1.247(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.1298e-01 1.K81 HD2 = 1.667(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.9556e-01 1.K81 HD3 = 1.671(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.4690e-01 1.K81 HE2 = 2.919(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.9580e-01 1.K81 HE3 = 2.827(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.7814e-01 1.K81 N = 118.720(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.3655e-01 1.Y82 C = 175.684(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.8652e-01 1.Y82 CA = 58.829(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.8064e-01 1.Y82 CB = 37.749(D), Expected = 39.32, Std = 2.1600, ChiSquare = 4.6703e-01 1.Y82 CD1 = 133.474(D), Expected = 132.77, Std = 1.1700, ChiSquare = 5.4737e-01 1.Y82 CD2 = 133.474(D), Expected = 132.73, Std = 1.3000, ChiSquare = 5.6711e-01 1.Y82 CE1 = 118.386(D), Expected = 117.93, Std = 1.1900, ChiSquare = 7.0158e-01 1.Y82 CE2 = 118.386(D), Expected = 117.90, Std = 1.1800, ChiSquare = 6.8044e-01 1.Y82 H = 7.968(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.2967e-01 1.Y82 HA = 4.260(D), Expected = 4.63, Std = 0.5600, ChiSquare = 5.0880e-01 1.Y82 HB2 = 3.506(D), Expected = 2.91, Std = 0.3700, ChiSquare = 1.0722e-01 1.Y82 HB3 = 2.655(D), Expected = 2.84, Std = 0.3900, ChiSquare = 6.3524e-01 1.Y82 HD1 = 7.339(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.7278e-01 1.Y82 HD2 = 7.339(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.7278e-01 1.Y82 HE1 = 6.801(D), Expected = 6.70, Std = 0.2300, ChiSquare = 6.6057e-01 1.Y82 HE2 = 6.801(D), Expected = 6.71, Std = 0.2300, ChiSquare = 6.9236e-01 1.Y82 N = 117.076(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.1222e-01 1.E83 C = 176.445(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.2747e-01 1.E83 CA = 60.838(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.2326e-02 1.E83 CB = 29.781(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.9408e-01 1.E83 CG = 35.981(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.1368e-01 1.E83 H = 7.345(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.5020e-02 1.E83 HA = 3.715(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.9193e-01 1.E83 HB2 = 1.991(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.9017e-01 1.E83 HB3 = 2.082(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.8916e-01 1.E83 HG2 = 2.164(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.1373e-01 1.E83 HG3 = 2.166(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.0260e-01 1.E83 N = 121.800(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.4540e-01 1.Q84 C = 175.411(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.4478e-01 1.Q84 CA = 55.122(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.9864e-01 1.Q84 CB = 28.342(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.4126e-01 1.Q84 CG = 33.932(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.7686e-01 1.Q84 CD = 180.334(D), Expected = 179.69, Std = 1.2900, ChiSquare = 6.1762e-01 1.Q84 H = 8.445(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.0294e-01 1.Q84 HA = 4.460(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.6587e-01 1.Q84 HB2 = 2.411(D), Expected = 2.05, Std = 0.2500, ChiSquare = 1.4874e-01 1.Q84 HB3 = 1.842(D), Expected = 2.02, Std = 0.2800, ChiSquare = 5.2496e-01 1.Q84 HG2 = 2.358(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.8807e-01 1.Q84 HG3 = 2.359(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.1193e-01 1.Q84 HE21 = 7.616(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.0341e-01 1.Q84 HE22 = 6.804(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.2349e-01 1.Q84 N = 110.747(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.1094e-02 1.Q84 NE2 = 112.408(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.5444e-01 1.L85 C = 173.432(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.2341e-02 1.L85 CA = 52.726(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7425e-01 1.L85 CB = 43.840(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.1574e-01 1.L85 CG = 26.672(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.2179e-01 1.L85 CD1 = 24.490(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.8498e-01 1.L85 CD2 = 25.448(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.1088e-01 1.L85 H = 7.682(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.9919e-01 1.L85 HA = 4.831(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.7693e-01 1.L85 HB2 = 1.935(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.3913e-01 1.L85 HB3 = 1.539(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.5791e-01 1.L85 HG = 1.531(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.4926e-01 1.L85 HD11 = 0.940(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9741e-01 1.L85 HD12 = 0.940(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9741e-01 1.L85 HD13 = 0.940(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.9741e-01 1.L85 HD21 = 0.917(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1904e-01 1.L85 HD22 = 0.917(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1904e-01 1.L85 HD23 = 0.917(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1904e-01 1.L85 N = 122.488(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.7207e-01 1.P86 C = 177.510(D), Expected = 176.75, Std = 1.5100, ChiSquare = 6.1475e-01 1.P86 CA = 65.402(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.7283e-01 1.P86 CB = 32.582(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.3503e-01 1.P86 CG = 28.066(D), Expected = 27.17, Std = 1.0900, ChiSquare = 4.1107e-01 1.P86 CD = 49.948(D), Expected = 50.32, Std = 0.9900, ChiSquare = 7.0710e-01 1.P86 HA = 4.420(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.5167e-01 1.P86 HB2 = 1.689(D), Expected = 2.08, Std = 0.3500, ChiSquare = 2.6393e-01 1.P86 HB3 = 2.176(D), Expected = 2.00, Std = 0.3600, ChiSquare = 6.2492e-01 1.P86 HG2 = 1.858(D), Expected = 1.93, Std = 0.3100, ChiSquare = 8.1634e-01 1.P86 HG3 = 1.863(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.1073e-01 1.P86 HD2 = 3.676(D), Expected = 3.65, Std = 0.3500, ChiSquare = 9.4078e-01 1.P86 HD3 = 3.511(D), Expected = 3.61, Std = 0.3900, ChiSquare = 7.9961e-01 1.E87 C = 176.950(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.6728e-01 1.E87 CA = 58.785(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.8333e-01 1.E87 CB = 28.680(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.3937e-01 1.E87 CG = 36.041(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.5376e-01 1.E87 H = 9.690(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.1162e-02 1.E87 HA = 4.203(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.0874e-01 1.E87 HB2 = 2.100(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.0324e-01 1.E87 HB3 = 2.107(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.1097e-01 1.E87 HG2 = 2.343(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.2813e-01 1.E87 HG3 = 2.344(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.6918e-01 1.E87 N = 112.763(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.3079e-02 1.D88 C = 177.007(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.2870e-01 1.D88 CA = 54.899(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.1800e-01 1.D88 CB = 42.298(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.8141e-01 1.D88 H = 7.971(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.5890e-01 1.D88 HA = 5.128(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.2714e-02 1.D88 HB2 = 2.863(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.8232e-01 1.D88 HB3 = 3.201(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.3342e-02 1.D88 N = 118.571(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.9016e-01 1.V89 C = 177.209(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.0298e-01 1.V89 CA = 64.235(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.4177e-01 1.V89 CB = 32.306(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.1276e-01 1.V89 CG1 = 24.631(D), Expected = 21.49, Std = 1.3600, ChiSquare = 2.0913e-02 1.V89 CG2 = 20.355(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.6183e-01 1.V89 H = 7.861(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.2198e-01 1.V89 HA = 3.120(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.5063e-02 1.V89 HB = 2.172(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.4851e-01 1.V89 HG11 = 1.032(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.3720e-01 1.V89 HG12 = 1.032(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.3720e-01 1.V89 HG13 = 1.032(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.3720e-01 1.V89 HG21 = 0.896(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3171e-01 1.V89 HG22 = 0.896(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3171e-01 1.V89 HG23 = 0.896(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3171e-01 1.V89 N = 120.333(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.5892e-01 1.G90 C = 175.184(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.8459e-01 1.G90 CA = 47.556(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9708e-02 1.G90 H = 8.307(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.7177e-01 1.G90 HA2 = 3.752(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.5573e-01 1.G90 HA3 = 3.703(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.9443e-01 1.G90 N = 110.633(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0349e-01 1.H91 C = 177.837(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.8912e-01 1.H91 CA = 59.283(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.3166e-01 1.H91 CB = 29.271(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.3970e-01 1.H91 CD2 = 120.643(D), Expected = 120.49, Std = 3.4200, ChiSquare = 9.6432e-01 1.H91 CE1 = 136.867(D), Expected = 137.71, Std = 2.1200, ChiSquare = 6.9089e-01 1.H91 H = 8.077(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.1056e-01 1.H91 HA = 4.194(D), Expected = 4.61, Std = 0.4300, ChiSquare = 3.3332e-01 1.H91 HB2 = 3.510(D), Expected = 3.10, Std = 0.3600, ChiSquare = 2.5475e-01 1.H91 HB3 = 3.143(D), Expected = 3.04, Std = 0.3800, ChiSquare = 7.8635e-01 1.H91 HD2 = 7.329(D), Expected = 7.00, Std = 0.4300, ChiSquare = 4.4420e-01 1.H91 HE1 = 8.465(D), Expected = 7.95, Std = 0.4800, ChiSquare = 2.8331e-01 1.H91 N = 117.587(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.9906e-01 1.C92 C = 176.196(D), Expected = 174.95, Std = 2.0700, ChiSquare = 5.4722e-01 1.C92 CA = 62.543(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.0260e-01 1.C92 CB = 27.489(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.0535e-01 1.C92 H = 7.724(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.2021e-01 1.C92 HA = 4.271(D), Expected = 4.66, Std = 0.5500, ChiSquare = 4.7940e-01 1.C92 HB2 = 2.526(D), Expected = 2.96, Std = 0.4400, ChiSquare = 3.2395e-01 1.C92 HB3 = 2.678(D), Expected = 2.89, Std = 0.4600, ChiSquare = 6.4489e-01 1.C92 HG = 1.693(D), Expected = 1.98, Std = 1.3800, ChiSquare = 8.3525e-01 1.C92 N = 118.390(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.0126e-01 1.F93 C = 175.651(D), Expected = 175.42, Std = 1.9900, ChiSquare = 9.0759e-01 1.F93 CA = 62.388(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.3686e-02 1.F93 CB = 39.965(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.9046e-01 1.F93 CD1 = 132.193(D), Expected = 131.58, Std = 1.1800, ChiSquare = 6.0342e-01 1.F93 CD2 = 132.193(D), Expected = 131.63, Std = 1.1200, ChiSquare = 6.1519e-01 1.F93 CE1 = 131.475(D), Expected = 130.71, Std = 1.3000, ChiSquare = 5.5622e-01 1.F93 CE2 = 131.475(D), Expected = 130.76, Std = 1.1300, ChiSquare = 5.2690e-01 1.F93 CZ = 129.056(D), Expected = 129.21, Std = 1.4300, ChiSquare = 9.1424e-01 1.F93 H = 7.036(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.5932e-02 1.F93 HA = 4.137(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.8709e-01 1.F93 HB2 = 2.931(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.5206e-01 1.F93 HB3 = 2.808(D), Expected = 2.93, Std = 0.4000, ChiSquare = 7.6037e-01 1.F93 HD1 = 7.065(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.8713e-01 1.F93 HD2 = 7.065(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.8713e-01 1.F93 HE1 = 6.519(D), Expected = 7.08, Std = 0.3100, ChiSquare = 7.0346e-02 1.F93 HE2 = 6.519(D), Expected = 7.08, Std = 0.3200, ChiSquare = 7.9581e-02 1.F93 HZ = 6.806(D), Expected = 7.00, Std = 0.4200, ChiSquare = 6.4415e-01 1.F93 N = 116.642(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.6229e-01 1.V94 C = 179.756(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.9492e-02 1.V94 CA = 66.503(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6057e-01 1.V94 CB = 32.475(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.8672e-01 1.V94 CG1 = 21.142(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.9804e-01 1.V94 CG2 = 22.707(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.5363e-01 1.V94 H = 7.576(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.8657e-01 1.V94 HA = 3.660(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.6083e-01 1.V94 HB = 1.916(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.4148e-01 1.V94 HG11 = 0.914(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.4664e-01 1.V94 HG12 = 0.914(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.4664e-01 1.V94 HG13 = 0.914(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.4664e-01 1.V94 HG21 = 0.951(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.8969e-01 1.V94 HG22 = 0.951(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.8969e-01 1.V94 HG23 = 0.951(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.8969e-01 1.V94 N = 114.012(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.1640e-01 1.T95 C = 175.695(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.1166e-01 1.T95 CA = 66.694(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4094e-02 1.T95 CB = 69.134(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.1463e-01 1.T95 CG2 = 20.116(D), Expected = 21.55, Std = 1.1100, ChiSquare = 1.9639e-01 1.T95 H = 8.162(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.9989e-01 1.T95 HA = 3.601(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.3521e-02 1.T95 HB = 3.780(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.3728e-01 1.T95 HG21 = 0.309(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.0262e-04 1.T95 HG22 = 0.309(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.0262e-04 1.T95 HG23 = 0.309(S), Expected = 1.14, Std = 0.2300, ChiSquare = 3.0262e-04 1.T95 N = 116.689(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.8935e-01 1.W96 C = 175.258(D), Expected = 176.12, Std = 2.0100, ChiSquare = 6.6803e-01 1.W96 CA = 56.020(D), Expected = 57.66, Std = 2.5800, ChiSquare = 5.2500e-01 1.W96 CB = 28.719(D), Expected = 30.01, Std = 2.0100, ChiSquare = 5.2069e-01 1.W96 CD1 = 128.341(D), Expected = 126.51, Std = 1.8300, ChiSquare = 3.1705e-01 1.W96 CZ2 = 115.390(D), Expected = 114.26, Std = 1.1200, ChiSquare = 3.1301e-01 1.W96 CZ3 = 120.302(D), Expected = 121.35, Std = 1.5300, ChiSquare = 4.9336e-01 1.W96 CH2 = 124.829(D), Expected = 123.86, Std = 1.4200, ChiSquare = 4.9499e-01 1.W96 H = 7.092(D), Expected = 8.29, Std = 0.7900, ChiSquare = 1.2940e-01 1.W96 HA = 4.992(D), Expected = 4.68, Std = 0.5300, ChiSquare = 5.5608e-01 1.W96 HB2 = 3.106(D), Expected = 3.19, Std = 0.3500, ChiSquare = 8.1033e-01 1.W96 HB3 = 3.818(D), Expected = 3.12, Std = 0.3600, ChiSquare = 5.2515e-02 1.W96 HD1 = 7.905(D), Expected = 7.14, Std = 0.3600, ChiSquare = 3.3587e-02 1.W96 HE1 = 10.658(D), Expected = 10.08, Std = 0.6600, ChiSquare = 3.8116e-01 1.W96 HZ2 = 7.441(D), Expected = 7.28, Std = 0.3300, ChiSquare = 6.2564e-01 1.W96 HZ3 = 7.638(D), Expected = 6.86, Std = 0.4000, ChiSquare = 5.1775e-02 1.W96 HH2 = 7.287(D), Expected = 6.98, Std = 0.3900, ChiSquare = 4.3118e-01 1.W96 N = 118.360(D), Expected = 121.68, Std = 4.1800, ChiSquare = 4.2705e-01 1.W96 NE1 = 129.395(D), Expected = 129.32, Std = 2.1100, ChiSquare = 9.7165e-01 1.A97 C = 180.545(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.8787e-01 1.A97 CA = 56.649(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.6358e-02 1.A97 CB = 20.471(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.2466e-01 1.A97 H = 7.211(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.9284e-02 1.A97 HA = 4.276(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.7099e-01 1.A97 HB1 = 1.673(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1412e-01 1.A97 HB2 = 1.673(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1412e-01 1.A97 HB3 = 1.673(D), Expected = 1.35, Std = 0.2600, ChiSquare = 2.1412e-01 1.A97 N = 123.544(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2932e-01 1.D98 C = 180.100(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.4491e-02 1.D98 CA = 57.301(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.9837e-01 1.D98 CB = 40.197(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.7331e-01 1.D98 H = 8.944(D), Expected = 8.31, Std = 0.5800, ChiSquare = 2.7435e-01 1.D98 HA = 4.439(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.3702e-01 1.D98 HB2 = 2.652(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.9368e-01 1.D98 HB3 = 2.652(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.7721e-01 1.D98 N = 116.030(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.3135e-01 1.K99 C = 179.033(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.3150e-01 1.K99 CA = 56.462(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.2446e-01 1.K99 CB = 30.542(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.0662e-01 1.K99 CG = 25.613(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.2229e-01 1.K99 CD = 27.924(D), Expected = 28.96, Std = 1.0800, ChiSquare = 3.3743e-01 1.K99 CE = 42.223(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.8467e-01 1.K99 H = 7.964(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.0642e-01 1.K99 HA = 3.953(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.7125e-01 1.K99 HB2 = 0.197(S), Expected = 1.78, Std = 0.2500, ChiSquare = 2.4200e-10 1.K99 HB3 = 1.559(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.0262e-01 1.K99 HG2 = 0.911(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.7499e-02 1.K99 HG3 = 0.914(D), Expected = 1.35, Std = 0.2800, ChiSquare = 1.1944e-01 1.K99 HD2 = 1.578(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.8435e-01 1.K99 HD3 = 1.192(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.3661e-02 1.K99 HE2 = 2.990(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.1256e-01 1.K99 HE3 = 2.840(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.2634e-01 1.K99 N = 119.775(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.3522e-01 1.F100 C = 177.373(D), Expected = 175.42, Std = 1.9900, ChiSquare = 3.2639e-01 1.F100 CA = 62.943(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.8462e-02 1.F100 CB = 37.416(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.1811e-01 1.F100 CD1 = 131.706(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.1496e-01 1.F100 CD2 = 131.706(D), Expected = 131.63, Std = 1.1200, ChiSquare = 9.4590e-01 1.F100 CE1 = 130.948(D), Expected = 130.71, Std = 1.3000, ChiSquare = 8.5474e-01 1.F100 CE2 = 130.948(D), Expected = 130.76, Std = 1.1300, ChiSquare = 8.6786e-01 1.F100 CZ = 130.021(D), Expected = 129.21, Std = 1.4300, ChiSquare = 5.7062e-01 1.F100 H = 7.767(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.1016e-01 1.F100 HA = 4.300(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.6262e-01 1.F100 HB2 = 3.195(D), Expected = 3.00, Std = 0.3700, ChiSquare = 5.9817e-01 1.F100 HB3 = 3.049(D), Expected = 2.93, Std = 0.4000, ChiSquare = 7.6608e-01 1.F100 HD1 = 7.216(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.1481e-01 1.F100 HD2 = 7.216(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.1481e-01 1.F100 HE1 = 6.941(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.5387e-01 1.F100 HE2 = 6.941(D), Expected = 7.08, Std = 0.3200, ChiSquare = 6.6402e-01 1.F100 HZ = 6.121(D), Expected = 7.00, Std = 0.4200, ChiSquare = 3.6362e-02 1.F100 N = 115.143(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.0422e-01 1.Q101 C = 178.715(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.1745e-01 1.Q101 CA = 58.492(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.6912e-01 1.Q101 CB = 27.716(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.1800e-01 1.Q101 CG = 33.690(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.4972e-01 1.Q101 CD = 179.724(D), Expected = 179.69, Std = 1.2900, ChiSquare = 9.7897e-01 1.Q101 H = 7.695(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.7356e-01 1.Q101 HA = 4.236(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.3841e-01 1.Q101 HB2 = 2.311(D), Expected = 2.05, Std = 0.2500, ChiSquare = 2.9649e-01 1.Q101 HB3 = 2.268(D), Expected = 2.02, Std = 0.2800, ChiSquare = 3.7577e-01 1.Q101 HG2 = 2.614(D), Expected = 2.32, Std = 0.2700, ChiSquare = 2.7620e-01 1.Q101 HG3 = 2.615(D), Expected = 2.29, Std = 0.2900, ChiSquare = 2.6242e-01 1.Q101 HE21 = 7.603(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.1986e-01 1.Q101 HE22 = 6.906(D), Expected = 7.02, Std = 0.4400, ChiSquare = 7.9556e-01 1.Q101 N = 120.164(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3933e-01 1.Q101 NE2 = 112.177(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.5834e-01 1.M102 C = 179.647(D), Expected = 176.18, Std = 2.0900, ChiSquare = 9.7146e-02 1.M102 CA = 59.375(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.4316e-01 1.M102 CB = 32.945(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.8397e-01 1.M102 CG = 30.638(D), Expected = 32.01, Std = 1.2400, ChiSquare = 2.6853e-01 1.M102 CE = 16.608(D), Expected = 17.07, Std = 1.5800, ChiSquare = 7.6998e-01 1.M102 H = 8.268(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.8936e-01 1.M102 HA = 4.322(D), Expected = 4.41, Std = 0.4800, ChiSquare = 8.5454e-01 1.M102 HB2 = 1.794(D), Expected = 2.03, Std = 0.3400, ChiSquare = 4.8761e-01 1.M102 HB3 = 1.794(D), Expected = 1.99, Std = 0.3400, ChiSquare = 5.6430e-01 1.M102 HG2 = 2.633(D), Expected = 2.42, Std = 0.3500, ChiSquare = 5.4281e-01 1.M102 HG3 = 2.492(D), Expected = 2.39, Std = 0.3800, ChiSquare = 7.8838e-01 1.M102 HE1 = 1.790(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.2790e-01 1.M102 HE2 = 1.790(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.2790e-01 1.M102 HE3 = 1.790(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.2790e-01 1.M102 N = 118.336(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.2320e-01 1.Y103 C = 178.319(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.4242e-01 1.Y103 CA = 62.691(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.9197e-02 1.Y103 CB = 39.467(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.4574e-01 1.Y103 CD1 = 132.878(D), Expected = 132.77, Std = 1.1700, ChiSquare = 9.2645e-01 1.Y103 CD2 = 132.878(D), Expected = 132.73, Std = 1.3000, ChiSquare = 9.0936e-01 1.Y103 CE1 = 118.227(D), Expected = 117.93, Std = 1.1900, ChiSquare = 8.0291e-01 1.Y103 CE2 = 118.227(D), Expected = 117.90, Std = 1.1800, ChiSquare = 7.8169e-01 1.Y103 H = 8.240(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.1274e-01 1.Y103 HA = 4.216(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.5973e-01 1.Y103 HB2 = 2.924(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.6982e-01 1.Y103 HB3 = 2.930(D), Expected = 2.84, Std = 0.3900, ChiSquare = 8.1749e-01 1.Y103 HD1 = 7.123(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.2001e-01 1.Y103 HD2 = 7.123(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.2001e-01 1.Y103 HE1 = 7.178(D), Expected = 6.70, Std = 0.2300, ChiSquare = 3.7685e-02 1.Y103 HE2 = 7.178(D), Expected = 6.71, Std = 0.2300, ChiSquare = 4.1873e-02 1.Y103 N = 118.740(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.7170e-01 1.V104 C = 177.720(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.6905e-01 1.V104 CA = 67.381(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.7240e-02 1.V104 CB = 31.165(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.8195e-01 1.V104 CG1 = 23.268(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.9109e-01 1.V104 CG2 = 20.859(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.9714e-01 1.V104 H = 7.653(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.4173e-01 1.V104 HA = 3.584(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.9610e-01 1.V104 HB = 2.648(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.6843e-02 1.V104 HG11 = 1.302(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.9465e-02 1.V104 HG12 = 1.302(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.9465e-02 1.V104 HG13 = 1.302(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.9465e-02 1.V104 HG21 = 0.918(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.7344e-01 1.V104 HG22 = 0.918(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.7344e-01 1.V104 HG23 = 0.918(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.7344e-01 1.V104 N = 123.597(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.8838e-01 1.T105 C = 176.482(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.6985e-01 1.T105 CA = 66.325(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.1298e-01 1.T105 CB = 69.092(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.9549e-01 1.T105 CG2 = 21.830(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.0085e-01 1.T105 H = 7.595(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.9819e-01 1.T105 HA = 3.792(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.6402e-01 1.T105 HB = 4.257(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.9206e-01 1.T105 HG21 = 1.236(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.7639e-01 1.T105 HG22 = 1.236(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.7639e-01 1.T105 HG23 = 1.236(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.7639e-01 1.T105 N = 115.889(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.2135e-01 1.Y106 C = 179.010(D), Expected = 175.40, Std = 1.9900, ChiSquare = 6.9667e-02 1.Y106 CA = 63.796(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.3985e-02 1.Y106 CB = 38.954(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.6545e-01 1.Y106 CD1 = 131.183(D), Expected = 132.77, Std = 1.1700, ChiSquare = 1.7497e-01 1.Y106 CD2 = 131.183(D), Expected = 132.73, Std = 1.3000, ChiSquare = 2.3405e-01 1.Y106 CE1 = 118.324(D), Expected = 117.93, Std = 1.1900, ChiSquare = 7.4057e-01 1.Y106 CE2 = 118.324(D), Expected = 117.90, Std = 1.1800, ChiSquare = 7.1935e-01 1.Y106 H = 8.067(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.2891e-01 1.Y106 HA = 3.994(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.5608e-01 1.Y106 HB2 = 2.937(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.4183e-01 1.Y106 HB3 = 2.941(D), Expected = 2.84, Std = 0.3900, ChiSquare = 7.9565e-01 1.Y106 HD1 = 7.319(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.9475e-01 1.Y106 HD2 = 7.319(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.9475e-01 1.Y106 HE1 = 6.154(D), Expected = 6.70, Std = 0.2300, ChiSquare = 1.7601e-02 1.Y106 HE2 = 6.154(D), Expected = 6.71, Std = 0.2300, ChiSquare = 1.5632e-02 1.Y106 HH = 10.367(D), Expected = 9.30, Std = 1.3600, ChiSquare = 4.3271e-01 1.Y106 N = 122.524(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.3326e-01 1.C107 C = 177.390(D), Expected = 174.95, Std = 2.0700, ChiSquare = 2.3850e-01 1.C107 CA = 64.584(D), Expected = 58.30, Std = 3.3300, ChiSquare = 5.9149e-02 1.C107 CB = 27.444(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.0113e-01 1.C107 H = 8.611(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.4151e-01 1.C107 HA = 4.083(D), Expected = 4.66, Std = 0.5500, ChiSquare = 2.9414e-01 1.C107 HB2 = 3.061(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.1844e-01 1.C107 HB3 = 3.153(D), Expected = 2.89, Std = 0.4600, ChiSquare = 5.6750e-01 1.C107 N = 116.610(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.4294e-01 1.K108 C = 177.354(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.2109e-01 1.K108 CA = 59.402(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.6505e-01 1.K108 CB = 32.557(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.9586e-01 1.K108 CG = 25.613(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.2229e-01 1.K108 CD = 29.746(D), Expected = 28.96, Std = 1.0800, ChiSquare = 4.6675e-01 1.K108 CE = 42.165(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.3735e-01 1.K108 H = 8.486(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.2178e-01 1.K108 HA = 4.159(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.0083e-01 1.K108 HB2 = 1.931(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.4584e-01 1.K108 HB3 = 1.931(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.7931e-01 1.K108 HG2 = 1.690(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.1841e-01 1.K108 HG3 = 1.542(D), Expected = 1.35, Std = 0.2800, ChiSquare = 4.9289e-01 1.K108 HD2 = 1.688(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.2293e-01 1.K108 HD3 = 1.691(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.7914e-01 1.K108 HE2 = 2.991(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.0864e-01 1.K108 HE3 = 2.991(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.8548e-01 1.K108 N = 119.910(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.6236e-01 1.N109 C = 175.345(D), Expected = 175.27, Std = 1.7900, ChiSquare = 9.6658e-01 1.N109 CA = 55.014(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.3302e-01 1.N109 CB = 40.329(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.3214e-01 1.N109 H = 7.323(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.0647e-01 1.N109 HA = 4.648(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.5127e-01 1.N109 HB2 = 2.559(D), Expected = 2.81, Std = 0.3100, ChiSquare = 4.1813e-01 1.N109 HB3 = 2.630(D), Expected = 2.75, Std = 0.3300, ChiSquare = 7.1613e-01 1.N109 N = 115.013(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.3107e-01 1.K110 C = 173.677(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.3847e-01 1.K110 CA = 59.539(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.3927e-01 1.K110 CB = 30.671(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.3387e-01 1.K110 CG = 25.211(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.7636e-01 1.K110 CD = 30.785(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.1063e-02 1.K110 H = 7.187(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.4590e-02 1.K110 HA = 4.068(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.4617e-01 1.K110 HB2 = 2.184(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.0609e-01 1.K110 HB3 = 2.184(D), Expected = 1.74, Std = 0.2700, ChiSquare = 1.0008e-01 1.K110 HG2 = 1.506(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.0092e-01 1.K110 HG3 = 1.508(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.7256e-01 1.K110 HD2 = 1.678(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.5725e-01 1.K110 HD3 = 1.678(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.2293e-01 1.K110 N = 120.963(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.8159e-01 1.P111 C = 179.418(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.7247e-02 1.P111 CA = 66.413(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.2531e-02 1.P111 CB = 31.045(D), Expected = 31.85, Std = 1.1800, ChiSquare = 4.9511e-01 1.P111 CG = 28.714(D), Expected = 27.17, Std = 1.0900, ChiSquare = 1.5662e-01 1.P111 CD = 50.341(D), Expected = 50.32, Std = 0.9900, ChiSquare = 9.8308e-01 1.P111 HA = 4.301(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.6418e-01 1.P111 HB2 = 2.339(D), Expected = 2.08, Std = 0.3500, ChiSquare = 4.5930e-01 1.P111 HB3 = 1.846(D), Expected = 2.00, Std = 0.3600, ChiSquare = 6.6881e-01 1.P111 HG2 = 1.917(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.6655e-01 1.P111 HG3 = 2.145(D), Expected = 1.90, Std = 0.3300, ChiSquare = 4.5783e-01 1.P111 HD2 = 3.611(D), Expected = 3.65, Std = 0.3500, ChiSquare = 9.1128e-01 1.P111 HD3 = 3.684(D), Expected = 3.61, Std = 0.3900, ChiSquare = 8.4951e-01 1.D112 C = 178.809(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.6864e-01 1.D112 CA = 57.268(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.0410e-01 1.D112 CB = 39.968(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.7346e-01 1.D112 H = 7.477(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.5094e-01 1.D112 HA = 4.443(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.4596e-01 1.D112 HB2 = 2.724(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.8773e-01 1.D112 HB3 = 2.452(D), Expected = 2.66, Std = 0.2800, ChiSquare = 4.5757e-01 1.D112 N = 117.864(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.7044e-01 1.S113 C = 175.857(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.7203e-01 1.S113 CA = 61.531(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.7447e-01 1.S113 CB = 61.437(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.1035e-01 1.S113 H = 7.314(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.0157e-01 1.S113 HA = 3.685(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.6867e-02 1.S113 HB2 = 3.688(D), Expected = 3.88, Std = 0.2500, ChiSquare = 4.4249e-01 1.S113 HB3 = 3.688(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.4851e-01 1.S113 HG = 6.260(D), Expected = 5.36, Std = 1.0300, ChiSquare = 3.8223e-01 1.S113 N = 115.204(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.5985e-01 1.N114 C = 177.552(D), Expected = 175.27, Std = 1.7900, ChiSquare = 2.0236e-01 1.N114 CA = 55.921(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.0534e-01 1.N114 CB = 38.295(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.1520e-01 1.N114 CG = 175.935(D), Expected = 176.76, Std = 1.3800, ChiSquare = 5.4996e-01 1.N114 H = 8.523(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.7145e-01 1.N114 HA = 4.104(D), Expected = 4.67, Std = 0.3600, ChiSquare = 1.1590e-01 1.N114 HB2 = 2.928(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.0347e-01 1.N114 HB3 = 2.842(D), Expected = 2.75, Std = 0.3300, ChiSquare = 7.8041e-01 1.N114 HD21 = 7.884(D), Expected = 7.35, Std = 0.4800, ChiSquare = 2.6592e-01 1.N114 HD22 = 6.932(D), Expected = 7.14, Std = 0.4900, ChiSquare = 6.7121e-01 1.N114 N = 115.131(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.4584e-01 1.N114 ND2 = 111.748(D), Expected = 112.75, Std = 2.2300, ChiSquare = 6.5320e-01 1.Q115 C = 177.331(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.0056e-01 1.Q115 CA = 58.831(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.9072e-01 1.Q115 CB = 28.296(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.2328e-01 1.Q115 CG = 33.198(D), Expected = 33.76, Std = 1.1100, ChiSquare = 6.1264e-01 1.Q115 CD = 179.835(D), Expected = 179.69, Std = 1.2900, ChiSquare = 9.1050e-01 1.Q115 H = 7.863(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.4512e-01 1.Q115 HA = 4.017(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.6529e-01 1.Q115 HB2 = 2.191(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.7275e-01 1.Q115 HB3 = 2.094(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.9156e-01 1.Q115 HG2 = 2.453(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.2230e-01 1.Q115 HG3 = 2.456(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.6704e-01 1.Q115 HE21 = 7.758(D), Expected = 7.24, Std = 0.4500, ChiSquare = 2.4969e-01 1.Q115 HE22 = 6.794(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.0751e-01 1.Q115 N = 117.805(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.6248e-01 1.Q115 NE2 = 111.906(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.8330e-01 1.L116 C = 179.850(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.4861e-01 1.L116 CA = 58.445(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.8474e-01 1.L116 CB = 42.204(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.5504e-01 1.L116 CG = 27.389(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.7983e-01 1.L116 CD1 = 25.962(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.3473e-01 1.L116 CD2 = 26.294(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.8683e-01 1.L116 H = 7.732(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.4359e-01 1.L116 HA = 4.273(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.2034e-01 1.L116 HB2 = 1.840(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.9874e-01 1.L116 HB3 = 1.581(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.6545e-01 1.L116 HG = 1.710(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.4447e-01 1.L116 HD11 = 0.994(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.8352e-01 1.L116 HD12 = 0.994(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.8352e-01 1.L116 HD13 = 0.994(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.8352e-01 1.L116 HD21 = 0.922(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.0793e-01 1.L116 HD22 = 0.922(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.0793e-01 1.L116 HD23 = 0.922(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.0793e-01 1.L116 N = 119.835(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.0360e-01 1.I117 C = 178.859(D), Expected = 175.85, Std = 1.9200, ChiSquare = 1.1707e-01 1.I117 CA = 65.358(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.6196e-01 1.I117 CB = 38.246(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.4923e-01 1.I117 CG1 = 29.858(D), Expected = 27.71, Std = 1.6800, ChiSquare = 2.0105e-01 1.I117 CG2 = 17.209(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.1341e-01 1.I117 CD1 = 13.706(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.6873e-01 1.I117 H = 8.114(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.0714e-01 1.I117 HA = 3.668(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.6057e-01 1.I117 HB = 1.814(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.0667e-01 1.I117 HG12 = 1.760(D), Expected = 1.28, Std = 0.4000, ChiSquare = 2.3014e-01 1.I117 HG13 = 0.727(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.5878e-01 1.I117 HG21 = 0.854(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.5572e-01 1.I117 HG22 = 0.854(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.5572e-01 1.I117 HG23 = 0.854(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.5572e-01 1.I117 HD11 = 0.464(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5638e-01 1.I117 HD12 = 0.464(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5638e-01 1.I117 HD13 = 0.464(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5638e-01 1.I117 N = 117.902(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.0580e-01 1.L118 C = 179.704(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.7047e-01 1.L118 CA = 58.077(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4870e-01 1.L118 CB = 42.595(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.7951e-01 1.L118 CD1 = 27.039(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.4471e-01 1.L118 CD2 = 24.422(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.2679e-01 1.L118 H = 7.994(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.1655e-01 1.L118 HA = 4.053(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.6998e-01 1.L118 HB2 = 1.773(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.3165e-01 1.L118 HB3 = 1.651(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.1594e-01 1.L118 HD11 = 1.664(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.0974e-03 1.L118 HD12 = 1.664(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.0974e-03 1.L118 HD13 = 1.664(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.0974e-03 1.L118 HD21 = 0.880(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.0499e-01 1.L118 HD22 = 0.880(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.0499e-01 1.L118 HD23 = 0.880(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.0499e-01 1.L118 N = 119.393(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.2702e-01 1.E119 C = 178.342(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.5033e-01 1.E119 CA = 58.521(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.6553e-01 1.E119 CB = 31.221(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.8139e-01 1.E119 CG = 36.910(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.0141e-01 1.E119 H = 8.464(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.2033e-01 1.E119 HA = 4.086(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.8916e-01 1.E119 HB2 = 1.482(D), Expected = 2.02, Std = 0.2100, ChiSquare = 1.0410e-02 1.E119 HB3 = 1.897(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.8596e-01 1.E119 HG2 = 2.275(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.8100e-01 1.E119 HG3 = 1.820(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.0637e-02 1.E119 N = 115.358(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.2690e-01 1.H120 C = 176.303(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.9298e-01 1.H120 CA = 56.934(D), Expected = 56.52, Std = 2.3100, ChiSquare = 8.5776e-01 1.H120 CB = 35.009(D), Expected = 30.24, Std = 2.0700, ChiSquare = 2.1230e-02 1.H120 CD2 = 119.667(D), Expected = 120.49, Std = 3.4200, ChiSquare = 8.0983e-01 1.H120 CE1 = 139.095(D), Expected = 137.71, Std = 2.1200, ChiSquare = 5.1356e-01 1.H120 H = 7.967(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.8807e-01 1.H120 HA = 5.047(D), Expected = 4.61, Std = 0.4300, ChiSquare = 3.0950e-01 1.H120 HB2 = 2.931(D), Expected = 3.10, Std = 0.3600, ChiSquare = 6.3875e-01 1.H120 HB3 = 2.863(D), Expected = 3.04, Std = 0.3800, ChiSquare = 6.4137e-01 1.H120 HD2 = 7.028(D), Expected = 7.00, Std = 0.4300, ChiSquare = 9.4808e-01 1.H120 HE1 = 7.821(D), Expected = 7.95, Std = 0.4800, ChiSquare = 7.8812e-01 1.H120 N = 112.616(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.6977e-02 1.A121 C = 176.924(D), Expected = 177.74, Std = 2.1300, ChiSquare = 7.0165e-01 1.A121 CA = 53.949(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.8284e-01 1.A121 CB = 21.358(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.9947e-01 1.A121 H = 7.963(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.9284e-01 1.A121 HA = 4.258(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.9637e-01 1.A121 HB1 = 1.895(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.6069e-02 1.A121 HB2 = 1.895(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.6069e-02 1.A121 HB3 = 1.895(D), Expected = 1.35, Std = 0.2600, ChiSquare = 3.6069e-02 1.A121 N = 120.790(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.9066e-01 1.G122 C = 177.039(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.1866e-02 1.G122 CA = 46.725(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.0484e-01 1.G122 H = 8.730(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.3830e-01 1.G122 HA2 = 4.080(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.6624e-01 1.G122 HA3 = 3.851(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.9464e-01 1.G122 N = 106.792(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.5708e-01 1.T123 C = 175.408(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.2188e-01 1.T123 CA = 61.512(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.8458e-01 1.T123 CB = 68.713(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.3268e-01 1.T123 CG2 = 21.722(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.7686e-01 1.T123 H = 8.948(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.5348e-01 1.T123 HA = 4.705(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.0976e-01 1.T123 HB = 4.897(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.7593e-02 1.T123 HG21 = 1.272(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.6603e-01 1.T123 HG22 = 1.272(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.6603e-01 1.T123 HG23 = 1.272(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.6603e-01 1.T123 N = 117.730(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.2674e-01 1.F124 C = 177.595(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.7441e-01 1.F124 CA = 62.605(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.8289e-02 1.F124 CB = 41.347(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.1616e-01 1.F124 CD1 = 131.585(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.9662e-01 1.F124 CD2 = 131.585(D), Expected = 131.63, Std = 1.1200, ChiSquare = 9.6795e-01 1.F124 CE1 = 131.781(D), Expected = 130.71, Std = 1.3000, ChiSquare = 4.1003e-01 1.F124 CE2 = 131.781(D), Expected = 130.76, Std = 1.1300, ChiSquare = 3.6624e-01 1.F124 CZ = 129.983(D), Expected = 129.21, Std = 1.4300, ChiSquare = 5.8881e-01 1.F124 H = 8.341(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.7895e-01 1.F124 HA = 4.267(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.2423e-01 1.F124 HB2 = 2.493(D), Expected = 3.00, Std = 0.3700, ChiSquare = 1.7060e-01 1.F124 HB3 = 3.380(D), Expected = 2.93, Std = 0.4000, ChiSquare = 2.6059e-01 1.F124 HD1 = 6.978(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.9138e-01 1.F124 HD2 = 6.978(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.9138e-01 1.F124 HE1 = 7.434(D), Expected = 7.08, Std = 0.3100, ChiSquare = 2.5348e-01 1.F124 HE2 = 7.434(D), Expected = 7.08, Std = 0.3200, ChiSquare = 2.6862e-01 1.F124 HZ = 6.986(D), Expected = 7.00, Std = 0.4200, ChiSquare = 9.7341e-01 1.F124 N = 123.474(D), Expected = 120.45, Std = 4.1800, ChiSquare = 4.6941e-01 1.F125 C = 178.473(D), Expected = 175.42, Std = 1.9900, ChiSquare = 1.2499e-01 1.F125 CA = 61.424(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.9320e-01 1.F125 CB = 37.820(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.9914e-01 1.F125 CD1 = 132.096(D), Expected = 131.58, Std = 1.1800, ChiSquare = 6.6190e-01 1.F125 CD2 = 132.096(D), Expected = 131.63, Std = 1.1200, ChiSquare = 6.7736e-01 1.F125 CE1 = 131.213(D), Expected = 130.71, Std = 1.3000, ChiSquare = 6.9881e-01 1.F125 CE2 = 131.213(D), Expected = 130.76, Std = 1.1300, ChiSquare = 6.8850e-01 1.F125 CZ = 131.103(D), Expected = 129.21, Std = 1.4300, ChiSquare = 1.8558e-01 1.F125 H = 8.675(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.6175e-01 1.F125 HA = 4.447(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.4817e-01 1.F125 HB2 = 3.223(D), Expected = 3.00, Std = 0.3700, ChiSquare = 5.4671e-01 1.F125 HB3 = 3.002(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.5715e-01 1.F125 HD1 = 7.454(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.0374e-01 1.F125 HD2 = 7.454(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.0374e-01 1.F125 HE1 = 7.445(D), Expected = 7.08, Std = 0.3100, ChiSquare = 2.3903e-01 1.F125 HE2 = 7.445(D), Expected = 7.08, Std = 0.3200, ChiSquare = 2.5403e-01 1.F125 HZ = 7.732(D), Expected = 7.00, Std = 0.4200, ChiSquare = 8.1359e-02 1.F125 N = 114.355(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.4480e-01 1.D126 C = 178.899(D), Expected = 176.40, Std = 1.7500, ChiSquare = 1.5329e-01 1.D126 CA = 57.524(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.6270e-01 1.D126 CB = 40.009(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.9082e-01 1.D126 H = 7.817(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.9533e-01 1.D126 HA = 4.544(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.8570e-01 1.D126 HB2 = 2.828(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.7786e-01 1.D126 HB3 = 2.828(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.4851e-01 1.D126 N = 124.289(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.4581e-01 1.E127 C = 179.634(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.5636e-01 1.E127 CA = 59.664(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.6206e-01 1.E127 CB = 28.953(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.3886e-01 1.E127 CG = 36.988(D), Expected = 36.11, Std = 1.1900, ChiSquare = 4.6063e-01 1.E127 H = 8.502(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.7065e-01 1.E127 HA = 4.097(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.0902e-01 1.E127 HB2 = 2.193(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.1005e-01 1.E127 HB3 = 2.049(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.9755e-01 1.E127 HG2 = 2.495(D), Expected = 2.27, Std = 0.2100, ChiSquare = 2.8398e-01 1.E127 HG3 = 2.342(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.7581e-01 1.E127 N = 120.939(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.3839e-01 1.I128 C = 177.403(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.1860e-01 1.I128 CA = 65.589(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3762e-01 1.I128 CB = 38.017(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.6154e-01 1.I128 CG1 = 28.981(D), Expected = 27.71, Std = 1.6800, ChiSquare = 4.4932e-01 1.I128 CG2 = 19.390(D), Expected = 17.53, Std = 1.3600, ChiSquare = 1.7142e-01 1.I128 CD1 = 14.673(D), Expected = 13.43, Std = 1.6700, ChiSquare = 4.5669e-01 1.I128 H = 7.439(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.1617e-01 1.I128 HA = 3.531(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.4649e-01 1.I128 HB = 2.165(D), Expected = 1.78, Std = 0.2900, ChiSquare = 1.8431e-01 1.I128 HG12 = 1.398(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.6799e-01 1.I128 HG13 = 0.815(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.6038e-01 1.I128 HG21 = 0.675(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2495e-01 1.I128 HG22 = 0.675(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2495e-01 1.I128 HG23 = 0.675(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2495e-01 1.I128 HD11 = 0.539(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2682e-01 1.I128 HD12 = 0.539(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2682e-01 1.I128 HD13 = 0.539(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2682e-01 1.I128 N = 121.022(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1849e-01 1.Q129 C = 178.547(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.5131e-01 1.Q129 CA = 59.961(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.1306e-01 1.Q129 CB = 27.840(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.5823e-01 1.Q129 CG = 32.721(D), Expected = 33.76, Std = 1.1100, ChiSquare = 3.4925e-01 1.Q129 H = 8.555(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.7017e-01 1.Q129 HA = 3.732(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.2143e-01 1.Q129 HB2 = 2.507(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.7550e-02 1.Q129 HB3 = 2.927(D), Expected = 2.02, Std = 0.2800, ChiSquare = 1.1983e-03 1.Q129 HG2 = 2.340(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.4095e-01 1.Q129 HG3 = 2.516(D), Expected = 2.29, Std = 0.2900, ChiSquare = 4.3580e-01 1.Q129 HE21 = 6.460(D), Expected = 7.24, Std = 0.4500, ChiSquare = 8.3037e-02 1.Q129 HE22 = 6.610(D), Expected = 7.02, Std = 0.4400, ChiSquare = 3.5143e-01 1.Q129 N = 120.796(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.0130e-01 1.Q129 NE2 = 107.130(D), Expected = 111.87, Std = 1.7200, ChiSquare = 5.8546e-03 1.Q130 C = 179.651(D), Expected = 176.31, Std = 1.9500, ChiSquare = 8.6651e-02 1.Q130 CA = 58.472(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.7412e-01 1.Q130 CB = 28.418(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.7144e-01 1.Q130 CG = 33.595(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.8183e-01 1.Q130 CD = 180.008(D), Expected = 179.69, Std = 1.2900, ChiSquare = 8.0529e-01 1.Q130 H = 7.825(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.0318e-01 1.Q130 HA = 4.176(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.3083e-01 1.Q130 HB2 = 2.197(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.5653e-01 1.Q130 HB3 = 2.197(D), Expected = 2.02, Std = 0.2800, ChiSquare = 5.2729e-01 1.Q130 HG2 = 2.523(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.5214e-01 1.Q130 HG3 = 2.482(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.0793e-01 1.Q130 HE21 = 7.464(D), Expected = 7.24, Std = 0.4500, ChiSquare = 6.1864e-01 1.Q130 HE22 = 6.824(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.5599e-01 1.Q130 N = 116.272(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.1490e-01 1.Q130 NE2 = 111.699(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.2081e-01 1.R131 C = 178.396(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.2791e-01 1.R131 CA = 59.608(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.1923e-01 1.R131 CB = 30.411(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.7452e-01 1.R131 CG = 27.555(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.7373e-01 1.R131 CD = 43.408(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.7808e-01 1.R131 H = 8.449(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.3188e-01 1.R131 HA = 4.009(D), Expected = 4.30, Std = 0.4600, ChiSquare = 5.2699e-01 1.R131 HB2 = 1.914(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.4605e-01 1.R131 HB3 = 1.714(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.6951e-01 1.R131 HG2 = 1.692(D), Expected = 1.57, Std = 0.2700, ChiSquare = 6.5138e-01 1.R131 HG3 = 1.410(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.5395e-01 1.R131 HD2 = 3.200(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.3888e-01 1.R131 HD3 = 3.109(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.7239e-01 1.R131 HE = 7.687(D), Expected = 7.40, Std = 0.6300, ChiSquare = 6.4871e-01 1.R131 N = 120.881(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.8244e-01 1.R131 NE = 83.667(D), Expected = 84.63, Std = 1.6800, ChiSquare = 5.6650e-01 1.H132 C = 174.557(D), Expected = 175.25, Std = 1.9700, ChiSquare = 7.2501e-01 1.H132 CA = 56.445(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.7410e-01 1.H132 CB = 29.979(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.9966e-01 1.H132 CD2 = 119.412(D), Expected = 120.49, Std = 3.4200, ChiSquare = 7.5261e-01 1.H132 CE1 = 137.449(D), Expected = 137.71, Std = 2.1200, ChiSquare = 9.0202e-01 1.H132 H = 7.872(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.8839e-01 1.H132 HA = 4.466(D), Expected = 4.61, Std = 0.4300, ChiSquare = 7.3771e-01 1.H132 HB2 = 2.754(D), Expected = 3.10, Std = 0.3600, ChiSquare = 3.3650e-01 1.H132 HB3 = 3.265(D), Expected = 3.04, Std = 0.3800, ChiSquare = 5.5378e-01 1.H132 HD2 = 7.278(D), Expected = 7.00, Std = 0.4300, ChiSquare = 5.1795e-01 1.H132 HE1 = 8.244(D), Expected = 7.95, Std = 0.4800, ChiSquare = 5.4021e-01 1.H132 N = 113.214(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.0545e-01 1.G133 C = 175.197(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.8028e-01 1.G133 CA = 46.925(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.3985e-01 1.G133 H = 7.826(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.3811e-01 1.G133 HA2 = 3.895(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.3937e-01 1.G133 HA3 = 3.929(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.3753e-01 1.G133 N = 111.028(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.2566e-01 1.L134 C = 177.865(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.5855e-01 1.L134 CA = 54.713(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.7024e-01 1.L134 CB = 42.994(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.1598e-01 1.L134 CG = 27.209(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.9654e-01 1.L134 CD1 = 22.371(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.3958e-01 1.L134 CD2 = 25.533(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.8302e-01 1.L134 H = 7.982(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.0280e-01 1.L134 HA = 4.401(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.6317e-01 1.L134 HB2 = 1.889(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.1188e-01 1.L134 HB3 = 1.906(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.8362e-01 1.L134 HG = 1.534(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.4202e-01 1.L134 HD11 = 0.866(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7866e-01 1.L134 HD12 = 0.866(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7866e-01 1.L134 HD13 = 0.866(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7866e-01 1.L134 HD21 = 0.675(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.4958e-01 1.L134 HD22 = 0.675(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.4958e-01 1.L134 HD23 = 0.675(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.4958e-01 1.L134 N = 118.273(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.5771e-01 1.A135 C = 177.863(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.5395e-01 1.A135 CA = 53.596(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1786e-01 1.A135 CB = 19.315(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.6763e-01 1.A135 H = 8.659(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4427e-01 1.A135 HA = 4.205(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.0052e-01 1.A135 HB1 = 1.394(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6562e-01 1.A135 HB2 = 1.394(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6562e-01 1.A135 HB3 = 1.394(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6562e-01 1.A135 N = 125.345(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.5020e-01 1.N136 C = 174.312(D), Expected = 175.27, Std = 1.7900, ChiSquare = 5.9251e-01 1.N136 CA = 52.141(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.5679e-01 1.N136 CB = 41.399(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.0894e-01 1.N136 CG = 176.620(D), Expected = 176.76, Std = 1.3800, ChiSquare = 9.1919e-01 1.N136 H = 7.968(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.5487e-01 1.N136 HA = 5.003(D), Expected = 4.67, Std = 0.3600, ChiSquare = 3.5497e-01 1.N136 HB2 = 2.473(D), Expected = 2.81, Std = 0.3100, ChiSquare = 2.7699e-01 1.N136 HB3 = 2.197(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.3786e-02 1.N136 HD21 = 7.281(D), Expected = 7.35, Std = 0.4800, ChiSquare = 8.8570e-01 1.N136 HD22 = 7.104(D), Expected = 7.14, Std = 0.4900, ChiSquare = 9.4143e-01 1.N136 N = 113.803(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.0330e-01 1.N136 ND2 = 115.175(D), Expected = 112.75, Std = 2.2300, ChiSquare = 2.7684e-01 1.S137 C = 175.676(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.3925e-01 1.S137 CA = 56.918(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.8401e-01 1.S137 CB = 66.176(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.0840e-01 1.S137 H = 8.631(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.5190e-01 1.S137 HA = 4.561(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.3953e-01 1.S137 HB2 = 4.369(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.0465e-02 1.S137 HB3 = 4.086(D), Expected = 3.85, Std = 0.2700, ChiSquare = 3.8208e-01 1.S137 N = 119.749(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.2437e-01 1.I138 C = 176.750(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.3925e-01 1.I138 CA = 64.452(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.8894e-01 1.I138 CB = 36.440(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.7829e-01 1.I138 CG1 = 28.538(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.2211e-01 1.I138 CG2 = 15.676(D), Expected = 17.53, Std = 1.3600, ChiSquare = 1.7281e-01 1.I138 CD1 = 13.002(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.9773e-01 1.I138 H = 8.876(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.8077e-01 1.I138 HA = 3.504(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.2738e-01 1.I138 HB = 0.308(S), Expected = 1.78, Std = 0.2900, ChiSquare = 3.8574e-07 1.I138 HG12 = 0.502(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.1775e-02 1.I138 HG13 = 0.215(D), Expected = 1.19, Std = 0.4100, ChiSquare = 1.7405e-02 1.I138 HG21 = 0.504(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2453e-01 1.I138 HG22 = 0.504(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2453e-01 1.I138 HG23 = 0.504(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.2453e-01 1.I138 HD11 = -0.384(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.4353e-04 1.I138 HD12 = -0.384(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.4353e-04 1.I138 HD13 = -0.384(S), Expected = 0.68, Std = 0.2900, ChiSquare = 2.4353e-04 1.I138 N = 120.874(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.9110e-01 1.S139 C = 176.685(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.2991e-01 1.S139 CA = 62.280(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.5468e-02 1.S139 CB = 62.132(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.5973e-01 1.S139 H = 7.500(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.8616e-01 1.S139 HA = 3.938(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.7542e-01 1.S139 HB2 = 3.781(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.9210e-01 1.S139 HB3 = 3.696(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.6843e-01 1.S139 N = 118.005(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.2409e-01 1.S140 C = 176.637(D), Expected = 174.62, Std = 1.7200, ChiSquare = 2.4093e-01 1.S140 CA = 61.143(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.4179e-01 1.S140 CB = 62.744(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.7553e-01 1.S140 H = 7.612(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.5755e-01 1.S140 HA = 4.152(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.1222e-01 1.S140 HB2 = 3.894(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.5534e-01 1.S140 HB3 = 3.833(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.4980e-01 1.S140 N = 118.471(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.3365e-01 1.Y141 C = 178.958(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.3786e-02 1.Y141 CA = 62.680(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.9871e-02 1.Y141 CB = 39.859(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.0295e-01 1.Y141 CD1 = 133.058(D), Expected = 132.77, Std = 1.1700, ChiSquare = 8.0556e-01 1.Y141 CD2 = 133.058(D), Expected = 132.73, Std = 1.3000, ChiSquare = 8.0080e-01 1.Y141 CE1 = 119.655(D), Expected = 117.93, Std = 1.1900, ChiSquare = 1.4718e-01 1.Y141 CE2 = 119.655(D), Expected = 117.90, Std = 1.1800, ChiSquare = 1.3694e-01 1.Y141 H = 7.617(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.3554e-01 1.Y141 HA = 4.211(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.5433e-01 1.Y141 HB2 = 3.138(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.3775e-01 1.Y141 HB3 = 2.875(D), Expected = 2.84, Std = 0.3900, ChiSquare = 9.2849e-01 1.Y141 HD1 = 7.207(D), Expected = 6.93, Std = 0.3000, ChiSquare = 3.5583e-01 1.Y141 HD2 = 7.207(D), Expected = 6.93, Std = 0.3000, ChiSquare = 3.5583e-01 1.Y141 HE1 = 7.138(D), Expected = 6.70, Std = 0.2300, ChiSquare = 5.6865e-02 1.Y141 HE2 = 7.138(D), Expected = 6.71, Std = 0.2300, ChiSquare = 6.2763e-02 1.Y141 N = 117.539(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.7785e-01 1.L142 C = 179.966(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.3283e-01 1.L142 CA = 56.636(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.3337e-01 1.L142 CB = 40.235(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.6971e-01 1.L142 CG = 25.966(D), Expected = 26.78, Std = 1.1000, ChiSquare = 4.5930e-01 1.L142 CD1 = 21.636(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.2426e-02 1.L142 CD2 = 26.267(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.9219e-01 1.L142 H = 8.348(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.5595e-01 1.L142 HA = 4.271(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.1697e-01 1.L142 HB2 = 1.764(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.5059e-01 1.L142 HB3 = 1.470(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.8954e-01 1.L142 HG = 1.827(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.3675e-01 1.L142 HD11 = 0.810(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.3032e-01 1.L142 HD12 = 0.810(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.3032e-01 1.L142 HD13 = 0.810(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.3032e-01 1.L142 HD21 = 0.316(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5341e-01 1.L142 HD22 = 0.316(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5341e-01 1.L142 HD23 = 0.316(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.5341e-01 1.L142 N = 114.847(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2145e-02 1.I143 C = 176.717(D), Expected = 175.85, Std = 1.9200, ChiSquare = 6.5158e-01 1.I143 CA = 59.446(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.1940e-01 1.I143 CB = 39.819(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.5612e-01 1.I143 CG1 = 29.669(D), Expected = 27.71, Std = 1.6800, ChiSquare = 2.4359e-01 1.I143 CG2 = 17.461(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.5954e-01 1.I143 CD1 = 14.106(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.8563e-01 1.I143 H = 7.508(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.5625e-01 1.I143 HA = 4.665(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.8645e-01 1.I143 HB = 1.978(D), Expected = 1.78, Std = 0.2900, ChiSquare = 4.9476e-01 1.I143 HG12 = 1.669(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.3080e-01 1.I143 HG13 = 1.542(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.9060e-01 1.I143 HG21 = 1.001(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.9224e-01 1.I143 HG22 = 1.001(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.9224e-01 1.I143 HG23 = 1.001(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.9224e-01 1.I143 HD11 = 0.989(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.8664e-01 1.I143 HD12 = 0.989(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.8664e-01 1.I143 HD13 = 0.989(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.8664e-01 1.I143 N = 116.411(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.3813e-01 1.K144 C = 176.652(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.9521e-01 1.K144 CA = 61.527(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.7484e-02 1.K144 CB = 30.302(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.6219e-01 1.K144 CG = 26.483(D), Expected = 24.89, Std = 1.1300, ChiSquare = 1.5862e-01 1.K144 CD = 29.135(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.7128e-01 1.K144 CE = 41.930(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.6109e-01 1.K144 H = 7.860(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.8232e-01 1.K144 HA = 4.572(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.9248e-01 1.K144 HB2 = 2.417(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.0834e-02 1.K144 HB3 = 1.753(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.6160e-01 1.K144 HG2 = 2.028(D), Expected = 1.37, Std = 0.2600, ChiSquare = 1.1381e-02 1.K144 HG3 = 1.957(D), Expected = 1.35, Std = 0.2800, ChiSquare = 3.0170e-02 1.K144 HD2 = 1.964(D), Expected = 1.61, Std = 0.2200, ChiSquare = 1.0760e-01 1.K144 HD3 = 1.765(D), Expected = 1.60, Std = 0.2200, ChiSquare = 4.5325e-01 1.K144 HE2 = 2.784(D), Expected = 2.92, Std = 0.1900, ChiSquare = 4.7412e-01 1.K144 HE3 = 2.725(D), Expected = 2.91, Std = 0.2000, ChiSquare = 3.5497e-01 1.K144 N = 122.834(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.3606e-01 1.P145 C = 177.659(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.4718e-01 1.P145 CA = 66.057(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.2801e-02 1.P145 CB = 32.071(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.5143e-01 1.P145 CG = 27.606(D), Expected = 27.17, Std = 1.0900, ChiSquare = 6.8916e-01 1.P145 CD = 50.689(D), Expected = 50.32, Std = 0.9900, ChiSquare = 7.0935e-01 1.P145 HA = 5.199(D), Expected = 4.40, Std = 0.3300, ChiSquare = 1.5469e-02 1.P145 HB2 = 2.472(D), Expected = 2.08, Std = 0.3500, ChiSquare = 2.6271e-01 1.P145 HB3 = 2.527(D), Expected = 2.00, Std = 0.3600, ChiSquare = 1.4322e-01 1.P145 HG2 = 1.970(D), Expected = 1.93, Std = 0.3100, ChiSquare = 8.9733e-01 1.P145 HG3 = 1.970(D), Expected = 1.90, Std = 0.3300, ChiSquare = 8.3201e-01 1.P145 HD2 = 3.677(D), Expected = 3.65, Std = 0.3500, ChiSquare = 9.3851e-01 1.P145 HD3 = 3.938(D), Expected = 3.61, Std = 0.3900, ChiSquare = 4.0033e-01 1.V146 C = 179.116(D), Expected = 175.62, Std = 1.9000, ChiSquare = 6.5768e-02 1.V146 CA = 66.335(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7882e-01 1.V146 CB = 32.124(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.3495e-01 1.V146 CG1 = 21.658(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.0169e-01 1.V146 CG2 = 21.428(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.1424e-01 1.V146 H = 6.644(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.4021e-02 1.V146 HA = 3.607(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.1481e-01 1.V146 HB = 2.469(D), Expected = 1.98, Std = 0.3200, ChiSquare = 1.2648e-01 1.V146 HG11 = 1.400(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.8357e-02 1.V146 HG12 = 1.400(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.8357e-02 1.V146 HG13 = 1.400(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.8357e-02 1.V146 HG21 = 1.140(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.2464e-01 1.V146 HG22 = 1.140(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.2464e-01 1.V146 HG23 = 1.140(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.2464e-01 1.V146 N = 113.155(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8610e-02 1.Q147 C = 178.884(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.8683e-01 1.Q147 CA = 57.849(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.5006e-01 1.Q147 CB = 28.517(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.1155e-01 1.Q147 CG = 34.482(D), Expected = 33.76, Std = 1.1100, ChiSquare = 5.1540e-01 1.Q147 CD = 179.501(D), Expected = 179.69, Std = 1.2900, ChiSquare = 8.8352e-01 1.Q147 H = 7.826(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.0426e-01 1.Q147 HA = 4.090(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.8247e-01 1.Q147 HB2 = 2.169(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.3407e-01 1.Q147 HB3 = 1.979(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.8358e-01 1.Q147 HG2 = 2.439(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.5940e-01 1.Q147 HG3 = 2.517(D), Expected = 2.29, Std = 0.2900, ChiSquare = 4.3377e-01 1.Q147 HE21 = 7.554(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.8532e-01 1.Q147 HE22 = 6.811(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.3479e-01 1.Q147 N = 116.232(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.0958e-01 1.Q147 NE2 = 111.890(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.9072e-01 1.R148 C = 176.737(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.7203e-01 1.R148 CA = 57.283(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.2425e-01 1.R148 CB = 29.022(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.5917e-01 1.R148 CG = 28.169(D), Expected = 27.21, Std = 1.2000, ChiSquare = 4.2419e-01 1.R148 CD = 42.505(D), Expected = 43.16, Std = 0.8800, ChiSquare = 4.5668e-01 1.R148 H = 8.443(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.3929e-01 1.R148 HA = 3.522(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.0779e-02 1.R148 HB2 = 2.021(D), Expected = 1.79, Std = 0.2700, ChiSquare = 3.9224e-01 1.R148 HB3 = 2.059(D), Expected = 1.76, Std = 0.2800, ChiSquare = 2.8558e-01 1.R148 HG2 = 1.864(D), Expected = 1.57, Std = 0.2700, ChiSquare = 2.7620e-01 1.R148 HG3 = 1.573(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.0940e-01 1.R148 HD2 = 2.849(D), Expected = 3.12, Std = 0.2400, ChiSquare = 2.5883e-01 1.R148 HD3 = 2.654(D), Expected = 3.10, Std = 0.2600, ChiSquare = 8.6275e-02 1.R148 N = 122.121(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.1962e-01 1.V149 C = 177.864(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.3758e-01 1.V149 CA = 67.072(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.0913e-01 1.V149 CB = 31.949(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.6261e-01 1.V149 CG1 = 21.744(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.5185e-01 1.V149 CG2 = 23.654(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.2488e-01 1.V149 H = 6.940(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.3913e-02 1.V149 HA = 3.518(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.4661e-01 1.V149 HB = 2.205(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.8198e-01 1.V149 HG11 = 0.952(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.3890e-01 1.V149 HG12 = 0.952(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.3890e-01 1.V149 HG13 = 0.952(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.3890e-01 1.V149 HG21 = 0.925(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5529e-01 1.V149 HG22 = 0.925(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5529e-01 1.V149 HG23 = 0.925(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5529e-01 1.V149 N = 115.791(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.3872e-01 1.T150 C = 175.297(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.6711e-01 1.T150 CA = 66.217(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.2277e-01 1.T150 CB = 68.671(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.1589e-01 1.T150 CG2 = 22.387(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.5082e-01 1.T150 H = 6.918(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.2986e-02 1.T150 HA = 3.705(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.1574e-01 1.T150 HB = 4.115(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.6763e-01 1.T150 HG21 = 1.203(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.8415e-01 1.T150 HG22 = 1.203(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.8415e-01 1.T150 HG23 = 1.203(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.8415e-01 1.T150 N = 114.986(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.2720e-01 1.K151 C = 178.815(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.7682e-01 1.K151 CA = 58.040(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.2028e-01 1.K151 CB = 31.202(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.7232e-01 1.K151 H = 8.051(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.1680e-01 1.K151 HA = 3.998(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.3646e-01 1.K151 HB2 = 1.798(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.4260e-01 1.K151 HB3 = 1.900(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.5345e-01 1.K151 N = 122.651(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.7108e-01 1.Y152 C = 178.460(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.2412e-01 1.Y152 CA = 59.490(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.8793e-01 1.Y152 CB = 37.997(D), Expected = 39.32, Std = 2.1600, ChiSquare = 5.4021e-01 1.Y152 CD1 = 131.386(D), Expected = 132.77, Std = 1.1700, ChiSquare = 2.3685e-01 1.Y152 CD2 = 131.386(D), Expected = 132.73, Std = 1.3000, ChiSquare = 3.0121e-01 1.Y152 CE1 = 117.799(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.1234e-01 1.Y152 CE2 = 117.799(D), Expected = 117.90, Std = 1.1800, ChiSquare = 9.3179e-01 1.Y152 H = 8.558(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.4440e-01 1.Y152 HA = 4.298(D), Expected = 4.63, Std = 0.5600, ChiSquare = 5.5328e-01 1.Y152 HB2 = 3.075(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.5564e-01 1.Y152 HB3 = 2.648(D), Expected = 2.84, Std = 0.3900, ChiSquare = 6.2250e-01 1.Y152 HD1 = 6.967(D), Expected = 6.93, Std = 0.3000, ChiSquare = 9.0184e-01 1.Y152 HD2 = 6.967(D), Expected = 6.93, Std = 0.3000, ChiSquare = 9.0184e-01 1.Y152 HE1 = 6.813(D), Expected = 6.70, Std = 0.2300, ChiSquare = 6.2321e-01 1.Y152 HE2 = 6.813(D), Expected = 6.71, Std = 0.2300, ChiSquare = 6.5428e-01 1.Y152 N = 117.011(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.0345e-01 1.Q153 C = 178.080(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.6404e-01 1.Q153 CA = 59.098(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.3748e-01 1.Q153 CB = 27.586(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.7815e-01 1.Q153 CG = 33.496(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.1201e-01 1.Q153 CD = 178.542(D), Expected = 179.69, Std = 1.2900, ChiSquare = 3.7351e-01 1.Q153 H = 7.787(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.6301e-01 1.Q153 HA = 3.575(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.1421e-01 1.Q153 HB2 = 2.671(D), Expected = 2.05, Std = 0.2500, ChiSquare = 1.2992e-02 1.Q153 HB3 = 1.835(D), Expected = 2.02, Std = 0.2800, ChiSquare = 5.0880e-01 1.Q153 HG2 = 2.764(D), Expected = 2.32, Std = 0.2700, ChiSquare = 1.0008e-01 1.Q153 HG3 = 1.885(D), Expected = 2.29, Std = 0.2900, ChiSquare = 1.6255e-01 1.Q153 HE21 = 6.781(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.0773e-01 1.Q153 HE22 = 6.763(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.5916e-01 1.Q153 N = 115.427(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.1508e-01 1.Q153 NE2 = 109.008(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.6122e-02 1.L154 C = 180.911(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.7670e-02 1.L154 CA = 58.383(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9457e-01 1.L154 CB = 42.058(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9337e-01 1.L154 CG = 26.754(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.8114e-01 1.L154 CD1 = 22.842(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.3755e-01 1.L154 CD2 = 25.763(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.1362e-01 1.L154 H = 8.290(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.2645e-01 1.L154 HA = 3.967(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.5261e-01 1.L154 HB2 = 1.934(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.4062e-01 1.L154 HB3 = 1.568(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.9393e-01 1.L154 HG = 1.907(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.2896e-01 1.L154 HD11 = 0.855(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0766e-01 1.L154 HD12 = 0.855(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0766e-01 1.L154 HD13 = 0.855(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0766e-01 1.L154 HD21 = 0.856(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6394e-01 1.L154 HD22 = 0.856(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6394e-01 1.L154 HD23 = 0.856(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6394e-01 1.L154 N = 118.205(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.4867e-01 1.L155 C = 178.913(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.3144e-01 1.L155 CA = 58.027(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.5846e-01 1.L155 CB = 41.832(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.9930e-01 1.L155 CG = 27.818(D), Expected = 26.78, Std = 1.1000, ChiSquare = 3.4536e-01 1.L155 CD1 = 22.667(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.9664e-01 1.L155 CD2 = 27.349(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.2308e-02 1.L155 H = 8.584(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.8602e-01 1.L155 HA = 4.252(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.8496e-01 1.L155 HB2 = 1.916(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.6812e-01 1.L155 HB3 = 1.234(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.2694e-01 1.L155 HG = 1.889(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.5077e-01 1.L155 HD11 = 0.929(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2264e-01 1.L155 HD12 = 0.929(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2264e-01 1.L155 HD13 = 0.929(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2264e-01 1.L155 HD21 = 0.848(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8408e-01 1.L155 HD22 = 0.848(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8408e-01 1.L155 HD23 = 0.848(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8408e-01 1.L155 N = 120.246(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.7899e-01 1.L156 C = 178.923(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.2893e-01 1.L156 CA = 58.486(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7845e-01 1.L156 CB = 42.423(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.5207e-01 1.L156 CG = 27.221(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.8849e-01 1.L156 CD1 = 21.805(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.6753e-02 1.L156 CD2 = 23.519(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.5477e-01 1.L156 H = 8.430(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.5832e-01 1.L156 HA = 3.963(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.4751e-01 1.L156 HB2 = 1.835(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.0812e-01 1.L156 HB3 = 1.001(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.4940e-01 1.L156 HG = 1.349(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.2564e-01 1.L156 HD11 = 0.465(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.0875e-01 1.L156 HD12 = 0.465(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.0875e-01 1.L156 HD13 = 0.465(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.0875e-01 1.L156 HD21 = -0.350(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9598e-04 1.L156 HD22 = -0.350(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9598e-04 1.L156 HD23 = -0.350(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9598e-04 1.L156 N = 119.013(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6539e-01 1.K157 C = 179.016(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.3483e-01 1.K157 CA = 59.860(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.8593e-01 1.K157 CB = 32.515(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.7722e-01 1.K157 CG = 26.245(D), Expected = 24.89, Std = 1.1300, ChiSquare = 2.3048e-01 1.K157 CD = 29.638(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.3015e-01 1.K157 CE = 42.432(D), Expected = 41.89, Std = 0.8200, ChiSquare = 5.0863e-01 1.K157 H = 8.206(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.7873e-01 1.K157 HA = 3.926(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.3432e-01 1.K157 HB2 = 1.922(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.7003e-01 1.K157 HB3 = 1.925(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.9323e-01 1.K157 HG2 = 1.586(D), Expected = 1.37, Std = 0.2600, ChiSquare = 4.0610e-01 1.K157 HG3 = 1.438(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.5330e-01 1.K157 HD2 = 1.639(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.9513e-01 1.K157 HD3 = 1.657(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.9556e-01 1.K157 HE2 = 2.896(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.9948e-01 1.K157 HE3 = 2.863(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.1421e-01 1.K157 N = 118.097(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.3346e-01 1.E158 C = 180.717(D), Expected = 176.87, Std = 1.9500, ChiSquare = 4.8516e-02 1.E158 CA = 59.601(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.7510e-01 1.E158 CB = 29.877(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.3836e-01 1.E158 CG = 36.721(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.0764e-01 1.E158 H = 8.040(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.2305e-01 1.E158 HA = 3.994(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.3237e-01 1.E158 HB2 = 2.163(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.9590e-01 1.E158 HB3 = 2.166(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.4414e-01 1.E158 HG2 = 2.266(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.8480e-01 1.E158 HG3 = 2.404(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.8393e-01 1.E158 N = 120.915(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.4387e-01 1.L159 C = 178.724(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.8116e-01 1.L159 CA = 58.589(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.6335e-01 1.L159 CB = 42.082(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.0347e-01 1.L159 CG = 27.748(D), Expected = 26.78, Std = 1.1000, ChiSquare = 3.7886e-01 1.L159 CD1 = 25.466(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.3894e-01 1.L159 CD2 = 25.184(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.0473e-01 1.L159 H = 8.579(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.9132e-01 1.L159 HA = 4.016(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.1776e-01 1.L159 HB2 = 2.023(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.2448e-01 1.L159 HB3 = 2.023(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.6235e-01 1.L159 HG = 1.832(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.2918e-01 1.L159 HD11 = 0.902(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.8723e-01 1.L159 HD12 = 0.902(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.8723e-01 1.L159 HD13 = 0.902(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.8723e-01 1.L159 HD21 = 0.811(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8001e-01 1.L159 HD22 = 0.811(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8001e-01 1.L159 HD23 = 0.811(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8001e-01 1.L159 N = 122.432(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8340e-01 1.L160 C = 178.810(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.5800e-01 1.L160 CA = 58.285(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.1087e-01 1.L160 CB = 42.266(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8133e-01 1.L160 CG = 27.310(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.2993e-01 1.L160 CD1 = 25.497(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.2507e-01 1.L160 CD2 = 25.592(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.6438e-01 1.L160 H = 8.342(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.6320e-01 1.L160 HA = 3.974(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.6163e-01 1.L160 HB2 = 1.786(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.0470e-01 1.L160 HB3 = 1.791(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.5158e-01 1.L160 HG = 1.641(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.9139e-01 1.L160 HD11 = 0.846(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.3171e-01 1.L160 HD12 = 0.846(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.3171e-01 1.L160 HD13 = 0.846(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.3171e-01 1.L160 HD21 = 0.860(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.5395e-01 1.L160 HD22 = 0.860(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.5395e-01 1.L160 HD23 = 0.860(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.5395e-01 1.L160 N = 120.236(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.7711e-01 1.T161 C = 175.552(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.6529e-01 1.T161 CA = 64.438(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.9179e-01 1.T161 CB = 69.951(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.9215e-01 1.T161 CG2 = 21.827(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.0294e-01 1.T161 H = 7.659(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.4871e-01 1.T161 HA = 4.241(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.4821e-01 1.T161 HB = 4.393(D), Expected = 4.17, Std = 0.3300, ChiSquare = 4.9919e-01 1.T161 HG21 = 1.366(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.2580e-01 1.T161 HG22 = 1.366(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.2580e-01 1.T161 HG23 = 1.366(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.2580e-01 1.T161 N = 109.169(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.8817e-01 1.C162 C = 174.587(D), Expected = 174.95, Std = 2.0700, ChiSquare = 8.6080e-01 1.C162 CA = 59.134(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.0224e-01 1.C162 CB = 29.285(D), Expected = 32.49, Std = 6.0100, ChiSquare = 5.9384e-01 1.C162 H = 7.785(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.6653e-01 1.C162 HA = 4.792(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.1033e-01 1.C162 HB2 = 3.207(D), Expected = 2.96, Std = 0.4400, ChiSquare = 5.7455e-01 1.C162 HB3 = 3.049(D), Expected = 2.89, Std = 0.4600, ChiSquare = 7.2960e-01 1.C162 N = 116.309(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.0535e-01 1.C163 C = 174.078(D), Expected = 174.95, Std = 2.0700, ChiSquare = 6.7357e-01 1.C163 CA = 59.572(D), Expected = 58.30, Std = 3.3300, ChiSquare = 7.0247e-01 1.C163 CB = 29.410(D), Expected = 32.49, Std = 6.0100, ChiSquare = 6.0832e-01 1.C163 H = 7.705(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.0660e-01 1.C163 HA = 4.697(D), Expected = 4.66, Std = 0.5500, ChiSquare = 9.4636e-01 1.C163 HB2 = 3.031(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.7181e-01 1.C163 HB3 = 2.813(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.6706e-01 1.C163 N = 120.133(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.9364e-01 1.E164 C = 176.877(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.9714e-01 1.E164 CA = 57.502(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.3061e-01 1.E164 CB = 30.104(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.5642e-01 1.E164 CG = 36.426(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.9059e-01 1.E164 H = 8.786(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.3959e-01 1.E164 HA = 4.207(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.1647e-01 1.E164 HB2 = 2.011(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.6582e-01 1.E164 HB3 = 2.087(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.7322e-01 1.E164 HG2 = 2.312(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.4148e-01 1.E164 HG3 = 2.312(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.7808e-01 1.E164 N = 122.493(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.0038e-01 1.E165 C = 177.138(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.9069e-01 1.E165 CA = 57.315(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.9809e-01 1.E165 CB = 30.106(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.5549e-01 1.E165 CG = 36.329(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.5399e-01 1.E165 H = 8.589(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.6067e-01 1.E165 HA = 4.239(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.7860e-01 1.E165 HB2 = 2.036(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.3927e-01 1.E165 HB3 = 2.067(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.3779e-01 1.E165 HG2 = 2.301(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.8264e-01 1.E165 HG3 = 2.301(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.1668e-01 1.E165 N = 121.287(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.5927e-01 1.G166 C = 174.659(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.7472e-01 1.G166 CA = 45.934(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.6297e-01 1.G166 H = 8.563(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.2000e-01 1.G166 HA2 = 4.092(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.4160e-01 1.G166 HA3 = 3.934(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.2678e-01 1.G166 N = 108.815(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.2515e-01 1.K167 C = 177.580(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.3835e-01 1.K167 CA = 56.402(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.0329e-01 1.K167 CB = 32.917(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.4312e-01 1.K167 CG = 24.754(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.0420e-01 1.K167 CD = 29.164(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.5018e-01 1.K167 CE = 42.059(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.3671e-01 1.K167 H = 7.974(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.1885e-01 1.K167 HA = 4.397(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.7286e-01 1.K167 HB2 = 1.931(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.4584e-01 1.K167 HB3 = 1.860(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.5672e-01 1.K167 HG2 = 1.458(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.3502e-01 1.K167 HG3 = 1.459(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.9706e-01 1.K167 HD2 = 1.710(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.4944e-01 1.K167 HD3 = 1.710(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.1707e-01 1.K167 HE2 = 2.984(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.3624e-01 1.K167 HE3 = 2.984(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.1138e-01 1.K167 N = 120.382(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.5936e-01 1.G168 C = 175.144(D), Expected = 173.87, Std = 1.8800, ChiSquare = 4.9799e-01 1.G168 CA = 46.851(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.6265e-01 1.G168 H = 8.616(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.5994e-01 1.G168 HA2 = 4.188(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.5573e-01 1.G168 HA3 = 3.910(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.7844e-01 1.G168 N = 110.107(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.1009e-01 1.E169 C = 177.950(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.7968e-01 1.E169 CA = 58.360(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.1876e-01 1.E169 CB = 29.873(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.3651e-01 1.E169 CG = 37.937(D), Expected = 36.11, Std = 1.1900, ChiSquare = 1.2471e-01 1.E169 H = 8.580(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.7176e-01 1.E169 HA = 4.319(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.6635e-01 1.E169 HB2 = 2.121(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.3055e-01 1.E169 HB3 = 1.931(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.9755e-01 1.E169 HG2 = 2.340(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.3888e-01 1.E169 HG3 = 2.196(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.0610e-01 1.E169 N = 118.556(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.4354e-01 1.L170 C = 178.317(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.0273e-01 1.L170 CA = 58.762(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4018e-01 1.L170 CB = 42.349(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8345e-01 1.L170 CG = 27.388(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.8045e-01 1.L170 CD1 = 25.570(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.9293e-01 1.L170 CD2 = 24.439(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.1901e-01 1.L170 H = 8.097(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.3787e-01 1.L170 HA = 3.951(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.3239e-01 1.L170 HB2 = 2.010(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.3941e-01 1.L170 HB3 = 1.298(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.3745e-01 1.L170 HG = 1.902(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.3488e-01 1.L170 HD11 = 0.869(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7084e-01 1.L170 HD12 = 0.869(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7084e-01 1.L170 HD13 = 0.869(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.7084e-01 1.L170 HD21 = 0.832(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2504e-01 1.L170 HD22 = 0.832(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2504e-01 1.L170 HD23 = 0.832(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.2504e-01 1.L170 N = 121.746(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7668e-01 1.K171 C = 178.706(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.0160e-01 1.K171 CA = 59.676(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.1531e-01 1.K171 CB = 31.823(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.8695e-01 1.K171 CG = 25.277(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.3199e-01 1.K171 CD = 29.146(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.6326e-01 1.K171 H = 8.005(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.5783e-01 1.K171 HA = 3.856(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.4675e-01 1.K171 HB2 = 1.847(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.8870e-01 1.K171 HB3 = 1.951(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.3452e-01 1.K171 HG2 = 1.453(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.4955e-01 1.K171 HG3 = 1.454(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.1032e-01 1.K171 N = 118.942(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.7606e-01 1.D172 C = 179.455(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.0861e-02 1.D172 CA = 57.316(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.9580e-01 1.D172 CB = 40.330(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.3423e-01 1.D172 H = 8.011(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.0619e-01 1.D172 HA = 4.318(D), Expected = 4.59, Std = 0.3200, ChiSquare = 3.9533e-01 1.D172 HB2 = 2.541(D), Expected = 2.72, Std = 0.2600, ChiSquare = 4.9116e-01 1.D172 HB3 = 2.541(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.7084e-01 1.D172 N = 119.699(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.0539e-01 1.G173 C = 174.306(D), Expected = 173.87, Std = 1.8800, ChiSquare = 8.1660e-01 1.G173 CA = 47.780(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.9765e-02 1.G173 H = 8.786(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.8297e-01 1.G173 HA2 = 3.435(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.4819e-01 1.G173 HA3 = 3.572(D), Expected = 3.90, Std = 0.3700, ChiSquare = 3.7536e-01 1.G173 N = 109.230(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.0948e-01 1.L174 C = 178.219(D), Expected = 176.99, Std = 1.9800, ChiSquare = 5.3479e-01 1.L174 CA = 58.149(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3510e-01 1.L174 CB = 40.823(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.2897e-01 1.L174 CG = 26.421(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.4415e-01 1.L174 CD1 = 23.961(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.3311e-01 1.L174 CD2 = 27.136(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.9479e-02 1.L174 H = 8.229(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9877e-01 1.L174 HA = 3.772(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.4363e-01 1.L174 HB2 = 2.127(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.2836e-01 1.L174 HB3 = 1.245(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.4493e-01 1.L174 HG = 1.466(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.9393e-01 1.L174 HD11 = 0.928(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2496e-01 1.L174 HD12 = 0.928(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2496e-01 1.L174 HD13 = 0.928(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2496e-01 1.L174 HD21 = 0.826(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.4062e-01 1.L174 HD22 = 0.826(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.4062e-01 1.L174 HD23 = 0.826(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.4062e-01 1.L174 N = 122.557(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.5816e-01 1.E175 C = 179.920(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.1779e-01 1.E175 CA = 59.707(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.5341e-01 1.E175 CB = 28.696(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.4490e-01 1.E175 CG = 36.033(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.4841e-01 1.E175 H = 8.236(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.7342e-01 1.E175 HA = 3.927(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.3081e-01 1.E175 HB2 = 2.129(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.0373e-01 1.E175 HB3 = 2.131(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.3985e-01 1.E175 HG2 = 2.345(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.2098e-01 1.E175 HG3 = 2.348(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.5599e-01 1.E175 N = 118.976(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.2641e-01 1.V176 C = 179.355(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.9323e-02 1.V176 CA = 66.494(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6151e-01 1.V176 CB = 31.825(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.1315e-01 1.V176 CG1 = 22.363(D), Expected = 21.49, Std = 1.3600, ChiSquare = 5.2093e-01 1.V176 CG2 = 21.023(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.7925e-01 1.V176 H = 7.649(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.3871e-01 1.V176 HA = 3.647(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.4917e-01 1.V176 HB = 2.303(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.1279e-01 1.V176 HG11 = 1.143(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.2865e-01 1.V176 HG12 = 1.143(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.2865e-01 1.V176 HG13 = 1.143(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.2865e-01 1.V176 HG21 = 0.926(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5271e-01 1.V176 HG22 = 0.926(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5271e-01 1.V176 HG23 = 0.926(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5271e-01 1.V176 N = 120.098(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.1847e-01 1.M177 C = 180.349(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.6072e-02 1.M177 CA = 56.274(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.4137e-01 1.M177 CB = 32.350(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.7510e-01 1.M177 CE = 17.832(D), Expected = 17.07, Std = 1.5800, ChiSquare = 6.2961e-01 1.M177 H = 7.272(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.9627e-02 1.M177 HA = 4.472(D), Expected = 4.41, Std = 0.4800, ChiSquare = 8.9723e-01 1.M177 HB2 = 1.867(D), Expected = 2.03, Std = 0.3400, ChiSquare = 6.3165e-01 1.M177 HB3 = 2.131(D), Expected = 1.99, Std = 0.3400, ChiSquare = 6.7836e-01 1.M177 HG2 = 2.067(D), Expected = 2.42, Std = 0.3500, ChiSquare = 3.1318e-01 1.M177 HG3 = 2.280(D), Expected = 2.39, Std = 0.3800, ChiSquare = 7.7222e-01 1.M177 HE1 = 1.269(D), Expected = 1.89, Std = 0.4600, ChiSquare = 1.7702e-01 1.M177 HE2 = 1.269(D), Expected = 1.89, Std = 0.4600, ChiSquare = 1.7702e-01 1.M177 HE3 = 1.269(D), Expected = 1.89, Std = 0.4600, ChiSquare = 1.7702e-01 1.M177 N = 116.673(D), Expected = 120.09, Std = 3.5700, ChiSquare = 3.3850e-01 1.L178 C = 179.371(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.2916e-01 1.L178 CA = 57.066(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.9722e-01 1.L178 CB = 41.894(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.2488e-01 1.L178 CG = 26.721(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.5723e-01 1.L178 CD1 = 25.950(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.3918e-01 1.L178 CD2 = 21.874(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.0054e-01 1.L178 H = 8.962(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.6010e-01 1.L178 HA = 4.137(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.9701e-01 1.L178 HB2 = 1.868(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.4796e-01 1.L178 HB3 = 1.397(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.3260e-01 1.L178 HG = 1.636(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.0260e-01 1.L178 HD11 = 0.795(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7232e-01 1.L178 HD12 = 0.795(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7232e-01 1.L178 HD13 = 0.795(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7232e-01 1.L178 HD21 = 0.740(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.7249e-01 1.L178 HD22 = 0.740(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.7249e-01 1.L178 HD23 = 0.740(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.7249e-01 1.L178 N = 120.829(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.9150e-01 1.S179 C = 175.207(D), Expected = 174.62, Std = 1.7200, ChiSquare = 7.3289e-01 1.S179 CA = 60.988(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.7323e-01 1.S179 CB = 63.682(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.3645e-01 1.S179 H = 7.899(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.1843e-01 1.S179 HA = 4.284(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.2413e-01 1.S179 HB2 = 4.050(D), Expected = 3.88, Std = 0.2500, ChiSquare = 4.9650e-01 1.S179 HB3 = 4.051(D), Expected = 3.85, Std = 0.2700, ChiSquare = 4.5661e-01 1.S179 N = 113.925(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.0347e-01 1.V180 CA = 68.250(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.4011e-02 1.V180 CB = 29.960(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.2175e-01 1.V180 CG1 = 22.740(D), Expected = 21.49, Std = 1.3600, ChiSquare = 3.5803e-01 1.V180 CG2 = 21.549(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.5303e-01 1.V180 H = 7.150(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.8851e-02 1.V180 HA = 3.860(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.6938e-01 1.V180 HB = 2.367(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.2652e-01 1.V180 HG11 = 1.194(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6151e-01 1.V180 HG12 = 1.194(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6151e-01 1.V180 HG13 = 1.194(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.6151e-01 1.V180 HG21 = 1.038(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9533e-01 1.V180 HG22 = 1.038(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9533e-01 1.V180 HG23 = 1.038(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9533e-01 1.V180 N = 121.244(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8172e-01 1.P181 C = 178.788(D), Expected = 176.75, Std = 1.5100, ChiSquare = 1.7712e-01 1.P181 CA = 65.005(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.7047e-01 1.P181 CB = 30.863(D), Expected = 31.85, Std = 1.1800, ChiSquare = 4.0291e-01 1.P181 CG = 28.551(D), Expected = 27.17, Std = 1.0900, ChiSquare = 2.0516e-01 1.P181 CD = 49.591(D), Expected = 50.32, Std = 0.9900, ChiSquare = 4.6151e-01 1.P181 HA = 4.412(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.7099e-01 1.P181 HB2 = 2.331(D), Expected = 2.08, Std = 0.3500, ChiSquare = 4.7329e-01 1.P181 HB3 = 1.914(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.1119e-01 1.P181 HG2 = 2.091(D), Expected = 1.93, Std = 0.3100, ChiSquare = 6.0351e-01 1.P181 HG3 = 1.999(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.6418e-01 1.P181 HD2 = 3.946(D), Expected = 3.65, Std = 0.3500, ChiSquare = 3.9771e-01 1.P181 HD3 = 3.502(D), Expected = 3.61, Std = 0.3900, ChiSquare = 7.8184e-01 1.K182 C = 178.711(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.0044e-01 1.K182 CA = 59.049(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.4004e-01 1.K182 CB = 32.581(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.0653e-01 1.K182 CG = 25.131(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.3111e-01 1.K182 CD = 29.356(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.1387e-01 1.K182 CE = 42.207(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.9906e-01 1.K182 H = 6.627(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.1874e-03 1.K182 HA = 4.138(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.6418e-01 1.K182 HB2 = 1.923(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.6732e-01 1.K182 HB3 = 1.926(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.9089e-01 1.K182 HG2 = 1.591(D), Expected = 1.37, Std = 0.2600, ChiSquare = 3.9533e-01 1.K182 HG3 = 1.451(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.1831e-01 1.K182 HD2 = 1.683(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.4003e-01 1.K182 HD3 = 1.691(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.7914e-01 1.K182 HE2 = 2.968(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.0055e-01 1.K182 HE3 = 2.971(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.6037e-01 1.K182 N = 117.072(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.9135e-01 1.K183 C = 179.133(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.1258e-01 1.K183 CA = 58.583(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.5792e-01 1.K183 CB = 33.225(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0693e-01 1.K183 CG = 25.699(D), Expected = 24.89, Std = 1.1300, ChiSquare = 4.7404e-01 1.K183 CD = 29.527(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.9958e-01 1.K183 CE = 42.113(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.8566e-01 1.K183 H = 8.276(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8603e-01 1.K183 HA = 4.170(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.2021e-01 1.K183 HB2 = 1.936(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.3263e-01 1.K183 HB3 = 1.952(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.3235e-01 1.K183 HG2 = 1.697(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.0850e-01 1.K183 HG3 = 1.517(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.5089e-01 1.K183 HD2 = 1.706(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.6257e-01 1.K183 HD3 = 1.708(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.2349e-01 1.K183 HE2 = 2.991(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.0864e-01 1.K183 HE3 = 3.018(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.8920e-01 1.K183 N = 119.124(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.0944e-01 1.A184 C = 177.551(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.2929e-01 1.A184 CA = 54.379(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.3147e-01 1.A184 CB = 18.837(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2468e-01 1.A184 H = 8.166(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.5481e-01 1.A184 HA = 4.104(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.2293e-01 1.A184 HB1 = 1.507(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4595e-01 1.A184 HB2 = 1.507(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4595e-01 1.A184 HB3 = 1.507(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4595e-01 1.A184 N = 120.808(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.9386e-01 1.N185 C = 176.110(D), Expected = 175.27, Std = 1.7900, ChiSquare = 6.3887e-01 1.N185 CA = 54.540(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.9478e-01 1.N185 CB = 38.917(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.9315e-01 1.N185 CG = 176.914(D), Expected = 176.76, Std = 1.3800, ChiSquare = 9.1115e-01 1.N185 H = 7.883(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.6821e-01 1.N185 HA = 4.616(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.8076e-01 1.N185 HB2 = 2.826(D), Expected = 2.81, Std = 0.3100, ChiSquare = 9.5884e-01 1.N185 HB3 = 2.926(D), Expected = 2.75, Std = 0.3300, ChiSquare = 5.9380e-01 1.N185 HD21 = 7.640(D), Expected = 7.35, Std = 0.4800, ChiSquare = 5.4573e-01 1.N185 HD22 = 6.922(D), Expected = 7.14, Std = 0.4900, ChiSquare = 6.5639e-01 1.N185 N = 115.868(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.4737e-01 1.N185 ND2 = 112.663(D), Expected = 112.75, Std = 2.2300, ChiSquare = 9.6888e-01 1.D186 C = 176.674(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.7558e-01 1.D186 CA = 55.538(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.7614e-01 1.D186 CB = 40.869(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.9458e-01 1.D186 H = 8.063(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.7021e-01 1.D186 HA = 4.515(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.1469e-01 1.D186 HB2 = 2.743(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.2951e-01 1.D186 HB3 = 2.744(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.6418e-01 1.D186 N = 120.424(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.5331e-01 1.A187 C = 177.840(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.6255e-01 1.A187 CA = 52.779(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.5533e-01 1.A187 CB = 19.136(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.4511e-01 1.A187 H = 8.037(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8588e-01 1.A187 HA = 4.291(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.4383e-01 1.A187 HB1 = 1.412(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.1152e-01 1.A187 HB2 = 1.412(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.1152e-01 1.A187 HB3 = 1.412(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.1152e-01 1.A187 N = 122.705(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.8210e-01 1.M188 C = 175.822(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.6399e-01 1.M188 CA = 55.759(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.7493e-01 1.M188 CB = 32.991(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.9964e-01 1.M188 CG = 32.174(D), Expected = 32.01, Std = 1.2400, ChiSquare = 8.9478e-01 1.M188 CE = 17.038(D), Expected = 17.07, Std = 1.5800, ChiSquare = 9.8384e-01 1.M188 H = 7.974(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.3360e-01 1.M188 HA = 4.384(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.5680e-01 1.M188 HB2 = 2.038(D), Expected = 2.03, Std = 0.3400, ChiSquare = 9.8123e-01 1.M188 HB3 = 2.005(D), Expected = 1.99, Std = 0.3400, ChiSquare = 9.6481e-01 1.M188 HG2 = 2.530(D), Expected = 2.42, Std = 0.3500, ChiSquare = 7.5330e-01 1.M188 HG3 = 2.635(D), Expected = 2.39, Std = 0.3800, ChiSquare = 5.1910e-01 1.M188 HE1 = 2.089(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.6530e-01 1.M188 HE2 = 2.089(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.6530e-01 1.M188 HE3 = 2.089(D), Expected = 1.89, Std = 0.4600, ChiSquare = 6.6530e-01 1.M188 N = 117.422(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.5486e-01 1.H189 C = 173.928(D), Expected = 175.25, Std = 1.9700, ChiSquare = 5.0218e-01 1.H189 CA = 55.847(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.7079e-01 1.H189 CB = 29.716(D), Expected = 30.24, Std = 2.0700, ChiSquare = 8.0016e-01 1.H189 CD2 = 120.407(D), Expected = 120.49, Std = 3.4200, ChiSquare = 9.8064e-01 1.H189 CE1 = 137.146(D), Expected = 137.71, Std = 2.1200, ChiSquare = 7.9021e-01 1.H189 H = 8.111(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.4954e-01 1.H189 HA = 4.703(D), Expected = 4.61, Std = 0.4300, ChiSquare = 8.2877e-01 1.H189 HB2 = 3.251(D), Expected = 3.10, Std = 0.3600, ChiSquare = 6.7489e-01 1.H189 HB3 = 3.185(D), Expected = 3.04, Std = 0.3800, ChiSquare = 7.0277e-01 1.H189 HD2 = 7.205(D), Expected = 7.00, Std = 0.4300, ChiSquare = 6.3354e-01 1.H189 HE1 = 8.283(D), Expected = 7.95, Std = 0.4800, ChiSquare = 4.8784e-01 1.H189 N = 119.793(D), Expected = 119.69, Std = 4.0000, ChiSquare = 9.7946e-01 1.V190 C = 180.960(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.9461e-03 1.V190 CA = 63.818(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.4241e-01 1.V190 CB = 33.037(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.6382e-01 1.V190 CG1 = 21.100(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.7429e-01 1.V190 CG2 = 20.174(D), Expected = 21.26, Std = 1.5600, ChiSquare = 4.8633e-01 1.V190 H = 7.722(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.9657e-01 1.V190 HA = 4.029(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.8133e-01 1.V190 HB = 2.100(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.0766e-01 1.V190 HG11 = 0.900(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.8775e-01 1.V190 HG12 = 0.900(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.8775e-01 1.V190 HG13 = 0.900(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.8775e-01 1.V190 HG21 = 0.886(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.5873e-01 1.V190 HG22 = 0.886(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.5873e-01 1.V190 HG23 = 0.886(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.5873e-01 1.V190 N = 125.107(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.8223e-01