Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.N1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.52 D 0.15 C 0.1 Y 0.07 F 0.07 L 0.04 M 0.01 C Shift Assignments>> CA :: 53.292(D) CB :: 38.599(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 :: 8.467(D) HA :: 4.633(D) HB2 :: 2.764(D) HB3 :: 2.705(D) HD21 :: 7.521(D) HD22 :: 6.833(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.403(D) ND2 :: 112.689(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.67 C 0.28 A 0.02 G 0.01 HN Overlap>> 1.L40 1.L40 C Shift Assignments>> CA :: 55.242(D) CB :: 42.423(D) CG :: 26.92(D) CD1 :: 25.13(D) CD2 :: 23.377(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 :: 8.098(D) HA :: 4.281(D) HB2 :: 1.558(D) HB3 :: 1.473(D) HG :: 1.509(D) HD11 :: 0.795(D) HD12 :: 0.795(D) HD13 :: 0.795(D) HD21 :: 0.743(D) HD22 :: 0.743(D) HD23 :: 0.743(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 :: 121.8(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.086(D) CB :: 63.843(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.26(D) HA :: 4.408(D) HB2 :: 3.809(D) HB3 :: 3.776(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 :: 116.621(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.98 I 0.01 C Shift Assignments>> CA :: 61.578(D) CB :: 38.717(D) CG1 :: 27.197(D) CG2 :: 13.221(D) CD1 :: 17.551(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 :: 8.039(D) HA :: 4.09(D) HB :: 1.787(D) HG12 :: 1.068(D) HG13 :: 1.35(D) HG21 :: 0.728(D) HG22 :: 0.728(D) HG23 :: 0.728(D) HD11 :: 0.792(D) HD12 :: 0.792(D) HD13 :: 0.792(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 :: 121.909(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 L 0.1 C 0.03 F 0.01 C Shift Assignments>> CA :: 45.226(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.284(D) HA2 :: 3.87(D) HA3 :: 3.87(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.693(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.22 K 0.11 N 0.1 F 0.09 Y 0.07 C 0.05 HN Overlap>> 1.L61 1.L61 C Shift Assignments>> CA :: 54.338(D) CB :: 41.163(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 :: 8.099(D) HA :: 4.633(D) HB2 :: 2.63(D) HB3 :: 2.7(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 :: 120.327(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.91 C 0.08 C Shift Assignments>> CA :: 62.579(D) CB :: 69.385(D) CG2 :: 21.687(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 :: 8.174(D) HA :: 4.233(D) HB :: 4.249(D) HG21 :: 1.128(D) HG22 :: 1.128(D) HG23 :: 1.128(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 :: 114.311(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 63.274(D) CB :: 69.389(D) CG2 :: 21.691(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 :: 8.144(D) HA :: 4.153(D) HB :: 4.173(D) HG21 :: 1.125(D) HG22 :: 1.125(D) HG23 :: 1.125(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 :: 115.841(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 59.039(D) CB :: 63.537(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.144(D) HA :: 4.338(D) HB2 :: 3.83(D) HB3 :: 3.78(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.676(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I10 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.99 HN Overlap>> 1.A104 1.A104 C Shift Assignments>> CA :: 62.137(D) CB :: 38.157(D) CG1 :: 27.737(D) CG2 :: 12.982(S) CD1 :: 17.729(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 :: 7.961(D) HA :: 3.952(D) HB :: 1.777(D) HG12 :: 1.359(D) HG13 :: 1.075(D) HG21 :: 0.706(D) HG22 :: 0.706(D) HG23 :: 0.706(D) HD11 :: 0.778(D) HD12 :: 0.778(D) HD13 :: 0.778(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 :: 122.205(D) Ave N Shift Values>> N :: 121.46(4.28) 1.I11 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.99 C Shift Assignments>> CA :: 62.478(D) CB :: 38.079(D) CG1 :: 27.957(D) CG2 :: 12.962(S) CD1 :: 17.626(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 :: 7.764(D) HA :: 3.902(D) HB :: 1.759(D) HG12 :: 1.401(D) HG13 :: 1.114(D) HG21 :: 0.741(D) HG22 :: 0.741(D) HG23 :: 0.741(D) HD11 :: 0.784(D) HD12 :: 0.784(D) HD13 :: 0.784(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 :: 121.603(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.31 K 0.29 C 0.27 E 0.06 M 0.03 C Shift Assignments>> CA :: 56.797(D) CB :: 28.711(D) CG :: 33.766(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 :: 7.963(D) HA :: 4.089(D) HB2 :: 1.9(D) HB3 :: 1.96(D) HG2 :: 2.25(D) HG3 :: 2.25(D) HE21 :: 7.381(D) HE22 :: 6.785(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.21(D) NE2 :: 111.919(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.64 C 0.33 G 0.01 HN Overlap>> 1.K15 1.K15 C Shift Assignments>> CA :: 56.169(D) CB :: 42.225(D) CG :: 26.67(D) CD1 :: 24.84(D) CD2 :: 23.87(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 :: 7.804(D) HA :: 4.014(D) HB2 :: 1.399(D) HB3 :: 1.176(D) HG :: 1.33(D) HD11 :: 0.68(D) HD12 :: 0.68(D) HD13 :: 0.68(D) HD21 :: 0.58(D) HD22 :: 0.58(D) HD23 :: 0.58(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 :: 121.273(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.39 F 0.36 C 0.24 C Shift Assignments>> CA :: 57.543(D) CB :: 38.81(D) CD1 :: 131.504(D) CE1 :: 129.339(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 :: 7.788(D) HA :: 4.489(D) HB2 :: 3.15(D) HB3 :: 2.831(D) HD1 :: 7.075(D) HE1 :: 7.051(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 :: 116.64(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.5 C 0.48 HN Overlap>> 1.L13 1.L13 C Shift Assignments>> CA :: 57.517(D) CB :: 32.669(D) CG :: 24.666(D) CD :: 28.941(D) CE :: 42.118(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 :: 7.842(D) HA :: 4.077(D) HB2 :: 1.734(D) HB3 :: 1.675(D) HG2 :: 1.35(D) HG3 :: 1.3(D) HD2 :: 1.57(D) HD3 :: 1.57(D) HE2 :: 2.89(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.2(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.54 D 0.13 C 0.1 Y 0.07 F 0.07 L 0.03 M 0.01 E 0.01 C Shift Assignments>> CA :: 53.238(D) CB :: 38.438(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 :: 8.188(D) HA :: 4.553(D) HB2 :: 2.69(D) HB3 :: 2.65(D) HD21 :: 7.485(D) HD22 :: 6.78(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.419(D) ND2 :: 112.441(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F17 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 HN Overlap>> 1.A133 1.V85 1.A133 1.V85 1.V34 1.V34 C Shift Assignments>> CA :: 58.733(D) CB :: 39.7(D) CD1 :: 131.775(D) CE1 :: 129.813(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 :: 7.932(D) HA :: 4.484(D) HB2 :: 3.06(D) HB3 :: 3(D) HD1 :: 7.116(D) HE1 :: 7.104(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 :: 120.22(D) Ave N Shift Values>> N :: 120.45(4.18) 1.T18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 61.07(D) CB :: 69.702(D) CG2 :: 21.145(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 :: 7.89(D) HA :: 4.22(D) HB :: 4.079(D) HG21 :: 1.02(D) HG22 :: 1.02(D) HG23 :: 1.02(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.976(D) Ave N Shift Values>> N :: 115.42(4.75) 1.G19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P21 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>> CA :: 65.392(D) CB :: 31.87(D) CG :: 27.706(D) CD :: 50.77(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 :: 4.284(D) HB2 :: 1.92(D) HB3 :: 1.93(D) HG2 :: 2.049(D) HG3 :: 2.049(D) HD2 :: 3.75(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.S22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 61.27(D) CB :: 61.37(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.061(D) HA :: 3.767(D) HB2 :: 3.81(D) HB3 :: 3.44(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 :: 111.461(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.9 C 0.09 C Shift Assignments>> CA :: 66.37(D) CB :: 31.486(D) CG1 :: 20.962(D) CG2 :: 22.762(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 :: 6.777(D) HA :: 3.44(D) HB :: 1.996(D) HG11 :: 0.807(D) HG12 :: 0.807(D) HG13 :: 0.807(D) HG21 :: 0.537(D) HG22 :: 0.537(D) HG23 :: 0.537(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.109(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.64 A 0.27 I 0.05 C 0.02 C Shift Assignments>> CA :: 55.525(D) CB :: 17.696(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.249(D) HA :: 3.803(D) HB1 :: 1.286(D) HB2 :: 1.286(D) HB3 :: 1.286(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.859(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.94 C 0.05 C Shift Assignments>> CA :: 66.646(D) CB :: 68.16(D) CG2 :: 22.585(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 :: 8.494(D) HA :: 3.918(D) HB :: 4.073(D) HG21 :: 1.181(D) HG22 :: 1.181(D) HG23 :: 1.181(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.234(D) Ave N Shift Values>> N :: 115.42(4.75) 1.F26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.46 F 0.34 C 0.19 C Shift Assignments>> CA :: 61.963(D) CB :: 39.386(D) CD1 :: 132.758(D) CE1 :: 131.57(D) CZ :: 130.27(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 :: 8.31(D) HA :: 3.899(D) HB2 :: 3.436(D) HB3 :: 3.088(D) HD1 :: 7.13(D) HE1 :: 7.128(D) HZ :: 6.842(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 :: 124.89(D) Ave N Shift Values>> N :: 120.45(4.18) 1.I27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.9 C 0.09 C Shift Assignments>> CA :: 66.595(D) CB :: 38.891(D) CG1 :: 29.233(D) CG2 :: 17.37(D) CD1 :: 15.01(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 :: 8.595(D) HA :: 3.501(D) HB :: 1.827(D) HG12 :: 1.927(D) HG13 :: 0.78(D) HG21 :: 0.899(D) HG22 :: 0.899(D) HG23 :: 0.899(D) HD11 :: 0.778(D) HD12 :: 0.778(D) HD13 :: 0.778(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 :: 119.041(D) Ave N Shift Values>> N :: 121.46(4.28) 1.S28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 61.604(D) CB :: 62.712(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.504(D) HA :: 4.14(D) HB2 :: 3.938(D) HB3 :: 3.878(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.628(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.27 C 0.14 D 0.09 L 0.07 I 0.07 N 0.03 C Shift Assignments>> CA :: 57.235(D) CB :: 39.566(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 :: 8.075(D) HA :: 4.341(D) HB2 :: 2.651(D) HB3 :: 2.253(D) HD21 :: 7.508(D) HD22 :: 7.508(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 :: 119.63(D) ND2 :: 113.204(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.58 Y 0.2 C 0.2 C Shift Assignments>> CA :: 63.077(D) CB :: 39.572(D) CD1 :: 131.67(D) CE1 :: 130.589(D) CZ :: 128.294(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 :: 8.887(D) HA :: 3.642(D) HB2 :: 2.914(D) HB3 :: 2.629(D) HD1 :: 6.99(D) HE1 :: 7.1(D) HZ :: 6.937(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 :: 120.321(D) Ave N Shift Values>> N :: 120.45(4.18) 1.H31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.67 H 0.32 C Shift Assignments>> CA :: 60.412(D) CB :: 28.602(D) CD2 :: 120.27(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 :: 8.582(D) HA :: 3.767(D) HB2 :: 3.368(D) HB3 :: 3.28(D) HD2 :: 7.17(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 :: 115.354(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S87 1.S87 C Shift Assignments>> CA :: 61.77(D) CB :: 62.792(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.84(D) HA :: 4.065(D) HB2 :: 3.954(D) HB3 :: 3.908(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 :: 113.86(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.95 I 0.04 C Shift Assignments>> CA :: 64.784(D) CB :: 37.87(D) CG1 :: 28.588(D) CG2 :: 13.829(D) CD1 :: 17.884(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 :: 7.87(D) HA :: 3.491(D) HB :: 1.369(D) HG12 :: 1.659(D) HG13 :: 0.857(D) HG21 :: 0.589(D) HG22 :: 0.589(D) HG23 :: 0.589(D) HD11 :: 0.607(D) HD12 :: 0.607(D) HD13 :: 0.607(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 :: 122.7(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.86 C 0.13 HN Overlap>> 1.A133 1.V85 1.F17 1.A133 1.V85 1.F17 C Shift Assignments>> CA :: 66.928(D) CB :: 31.12(D) CG1 :: 23.631(D) CG2 :: 20.87(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 :: 7.84(D) HA :: 3.335(D) HB :: 1.74(D) HG11 :: 0.386(D) HG12 :: 0.386(D) HG13 :: 0.386(D) HG21 :: 0.613(D) HG22 :: 0.613(D) HG23 :: 0.613(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 :: 120.22(D) Ave N Shift Values>> N :: 121.14(4.54) 1.Q35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 Q 0.29 K 0.27 E 0.08 M 0.02 I 0.01 C Shift Assignments>> CA :: 57.71(D) CB :: 28.493(D) CG :: 33.982(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 :: 7.554(D) HA :: 3.827(D) HB2 :: 1.986(D) HB3 :: 1.986(D) HG2 :: 2.286(D) HG3 :: 2.286(D) HE21 :: 7.151(D) HE22 :: 6.771(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 :: 112.011(D) NE2 :: 111.248(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.403(D) CB :: 64.55(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.197(D) HA :: 4.435(D) HB2 :: 3.947(D) HB3 :: 3.88(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 :: 111.043(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 55.203(D) CB :: 63.829(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.653(D) HA :: 4.829(D) HB2 :: 3.893(D) HB3 :: 3.735(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.942(D) Ave N Shift Values>> N :: 116.28(3.52) 1.K38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 K 0.48 C Shift Assignments>> CA :: 59.628(D) CB :: 32.001(D) CG :: 24.884(D) CD :: 29.106(D) CE :: 42.122(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 :: 8.902(D) HA :: 3.957(D) HB2 :: 1.841(D) HB3 :: 1.8(D) HG2 :: 1.516(D) HG3 :: 1.43(D) HD2 :: 1.644(D) HD3 :: 1.705(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 :: 129.773(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.93 C 0.06 HN Overlap>> 1.V86 1.V86 C Shift Assignments>> CA :: 66.245(D) CB :: 68.413(D) CG2 :: 22.721(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 :: 8.024(D) HA :: 3.871(D) HB :: 3.832(D) HG21 :: 1.121(D) HG22 :: 1.121(D) HG23 :: 1.121(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.712(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.54 C 0.43 G 0.01 HN Overlap>> 1.L2 1.L2 C Shift Assignments>> CA :: 57.521(D) CB :: 42.161(D) CG :: 27.331(D) CD1 :: 25.943(D) CD2 :: 23.07(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 :: 8.098(D) HA :: 4.06(D) HB2 :: 2.13(D) HB3 :: 1.42(D) HG :: 1.713(D) HD11 :: 0.852(D) HD12 :: 0.852(D) HD13 :: 0.852(D) HD21 :: 0.76(D) HD22 :: 0.76(D) HD23 :: 0.76(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 :: 121.7(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.49 C 0.49 C Shift Assignments>> CA :: 58.67(D) CB :: 41.338(D) CG :: 25.709(D) CD1 :: 23.87(D) CD2 :: 25.37(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 :: 8.678(D) HA :: 3.91(D) HB2 :: 1.802(D) HB3 :: 1.415(D) HG :: 1.97(D) HD11 :: 0.661(D) HD12 :: 0.661(D) HD13 :: 0.661(D) HD21 :: 0.714(D) HD22 :: 0.714(D) HD23 :: 0.714(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 :: 121.25(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.24 F 0.2 C 0.17 N 0.13 D 0.08 E 0.04 I 0.04 L 0.04 M 0.01 C Shift Assignments>> CA :: 56.177(D) CB :: 38.411(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 :: 8.066(D) HA :: 4.417(D) HB2 :: 2.91(D) HB3 :: 2.799(D) HD21 :: 7.681(D) HD22 :: 6.84(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.479(D) ND2 :: 111.897(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.54 C 0.44 C Shift Assignments>> CA :: 58.101(D) CB :: 41.389(D) CG :: 27.07(D) CD1 :: 25.97(D) CD2 :: 23.87(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 :: 7.74(D) HA :: 4.018(D) HB2 :: 1.916(D) HB3 :: 1.468(D) HG :: 1.23(D) HD11 :: 0.59(D) HD12 :: 0.59(D) HD13 :: 0.59(D) HD21 :: 0.79(D) HD22 :: 0.79(D) HD23 :: 0.79(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 :: 121.097(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> Y 0.38 F 0.37 C 0.24 C Shift Assignments>> CA :: 62.664(D) CB :: 38.27(D) CD1 :: 131.983(D) CE1 :: 130.57(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>> HA :: 4.03(D) HB2 :: 2.75(D) HB3 :: 3.05(D) HD1 :: 7.213(D) HE1 :: 7.11(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) 1.D45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.26 Y 0.25 D 0.12 C 0.12 L 0.1 I 0.05 N 0.04 K 0.01 C Shift Assignments>> CA :: 56.961(D) CB :: 39.87(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 :: 7.976(D) HA :: 4.505(D) HB2 :: 2.901(D) HB3 :: 2.756(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 :: 120.803(D) Ave N Shift Values>> N :: 120.65(3.86) 1.V46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.63 C 0.35 C Shift Assignments>> CA :: 62.77(D) CB :: 34.17(D) CG2 :: 22.67(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 :: 8.01(D) HA :: 4.04(D) HB :: 2.74(D) HG21 :: 0.96(D) HG22 :: 0.96(D) HG23 :: 0.96(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 :: 115.095(D) Ave N Shift Values>> N :: 121.14(4.54) 1.A47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.54 A 0.37 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.27(D) CB :: 18.17(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.56(D) HA :: 3.46(D) HB1 :: 0.535(D) HB2 :: 0.535(D) HB3 :: 0.535(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.21(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.33 C 0.29 K 0.14 Q 0.13 M 0.04 I 0.04 C Shift Assignments>> CA :: 57.57(D) CB :: 29.57(D) CG :: 35.57(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 :: 7.185(D) HA :: 3.99(D) HB2 :: 2.06(D) HB3 :: 2.06(D) HG2 :: 2.39(D) HG3 :: 2.397(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 :: 111.654(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 Q 0.24 E 0.19 K 0.14 M 0.13 C Shift Assignments>> CA :: 57.23(D) CB :: 30.27(D) CG :: 34.57(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 :: 7.377(D) HA :: 4.24(D) HB2 :: 2.047(D) HB3 :: 2.047(D) HG2 :: 2.46(D) HG3 :: 2.36(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 :: 116.318(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.68 D 0.13 C 0.08 F 0.03 Y 0.03 L 0.02 C Shift Assignments>> CA :: 51.131(D) CB :: 38.67(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>> HA :: 4.98(D) HB2 :: 3.012(D) HB3 :: 2.643(D) HD21 :: 7.644(D) HD22 :: 6.946(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>> ND2 :: 113.34(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.85 C 0.13 C Shift Assignments>> CA :: 65.97(D) CB :: 32.862(D) CG :: 27.37(D) CD :: 50.179(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.36(D) HB2 :: 1.902(D) HB3 :: 2.36(D) HG2 :: 2.06(D) HG3 :: 2.08(D) HD2 :: 3.776(D) HD3 :: 3.385(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.L52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.53 C 0.46 C Shift Assignments>> CA :: 58.11(D) CB :: 41.036(D) CG :: 27.45(D) CD1 :: 24.246(D) CD2 :: 23.641(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 :: 8.297(D) HA :: 4.088(D) HB2 :: 1.758(D) HB3 :: 1.603(D) HG :: 1.665(D) HD11 :: 0.919(D) HD12 :: 0.919(D) HD13 :: 0.919(D) HD21 :: 0.85(D) HD22 :: 0.85(D) HD23 :: 0.85(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 :: 117.286(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.32 E 0.21 K 0.19 Q 0.19 I 0.05 M 0.01 C Shift Assignments>> CA :: 58.707(D) CB :: 28.986(D) CG :: 34.901(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 :: 7.461(D) HA :: 4.127(D) HB2 :: 2.027(D) HB3 :: 1.958(D) HG2 :: 2.313(D) HG3 :: 2.352(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 :: 119.882(D) Ave N Shift Values>> N :: 120.67(3.48) 1.F54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.43 F 0.33 C 0.23 C Shift Assignments>> CA :: 61.845(D) CB :: 39.07(D) CD1 :: 131.67(D) CE1 :: 129.186(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 :: 8.246(D) HA :: 4.076(D) HB2 :: 3.05(D) HB3 :: 3.22(D) HD1 :: 7.05(D) HE1 :: 7.036(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 :: 120.27(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 A 0.25 I 0.08 C 0.03 V 0.01 C Shift Assignments>> CA :: 56.043(D) CB :: 18.271(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.58(D) HA :: 3.67(D) HB1 :: 1.395(D) HB2 :: 1.395(D) HB3 :: 1.395(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.343(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.52 K 0.46 C Shift Assignments>> CA :: 59.995(D) CB :: 32.362(D) CG :: 25.403(D) CD :: 29.413(D) CE :: 42.12(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 :: 7.801(D) HA :: 4.033(D) HB2 :: 2.034(D) HB3 :: 1.995(D) HG2 :: 1.67(D) HG3 :: 1.45(D) HD2 :: 1.637(D) HD3 :: 1.637(D) HE2 :: 2.9(D) HE3 :: 2.9(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 :: 117.418(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.48 I 0.38 C 0.12 C Shift Assignments>> CA :: 63.106(D) CB :: 26.562(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.087(D) HA :: 4.142(D) HB2 :: 2.944(D) HB3 :: 2.647(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 :: 118.08(D) Ave N Shift Values>> N :: 120.17(4.64) 1.M58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.43 C 0.42 Q 0.11 E 0.01 C Shift Assignments>> CA :: 56.959(D) CB :: 32.933(D) CG :: 32.57(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 :: 8.3(D) HA :: 4.09(D) HB2 :: 1.891(D) HB3 :: 1.53(D) HG2 :: 1.94(D) HG3 :: 2.24(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 :: 117.9(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Y59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> Y 0.65 C 0.34 C Shift Assignments>> CA :: 62.47(D) CB :: 38.57(D) CD1 :: 133.069(D) CE1 :: 118.213(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>> HA :: 3.82(D) HB2 :: 3.3(D) HB3 :: 2.96(D) HD1 :: 6.799(D) HE1 :: 6.647(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) 1.E60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 E 0.33 I 0.11 K 0.1 Q 0.07 M 0.01 C Shift Assignments>> CA :: 59.07(D) CB :: 29.347(D) CG :: 35.808(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 :: 7.499(D) HA :: 3.74(D) HB2 :: 2.179(D) HB3 :: 2.079(D) HG2 :: 2.484(D) HG3 :: 2.446(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 :: 115.8(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.57 C 0.42 HN Overlap>> 1.D6 1.D6 C Shift Assignments>> CA :: 57.87(D) CB :: 41.287(D) CG :: 26.97(D) CD1 :: 25.47(D) CD2 :: 24.65(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 :: 8.1(D) HA :: 3.653(D) HB2 :: 1.52(D) HB3 :: 1.06(D) HG :: 1.375(D) HD11 :: 0.597(D) HD12 :: 0.597(D) HD13 :: 0.597(D) HD21 :: 0.588(D) HD22 :: 0.588(D) HD23 :: 0.588(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 :: 120.4(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.79 C 0.2 HN Overlap>> 1.E132 1.E132 C Shift Assignments>> CA :: 66.98(D) CB :: 31.154(D) CG1 :: 22.458(D) CG2 :: 24.17(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 :: 8.568(D) HA :: 3.387(D) HB :: 1.908(D) HG11 :: 0.69(D) HG12 :: 0.69(D) HG13 :: 0.69(D) HG21 :: 1.054(D) HG22 :: 1.054(D) HG23 :: 1.054(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.037(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.58 C 0.41 C Shift Assignments>> CA :: 58.421(D) CB :: 41.614(D) CG :: 26.035(D) CD1 :: 24.23(D) CD2 :: 23.97(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 :: 7.728(D) HA :: 3.538(D) HB2 :: 1.34(D) HB3 :: 1.29(D) HG :: 1.207(D) HD11 :: 0.37(D) HD12 :: 0.37(D) HD13 :: 0.37(D) HD21 :: 0.39(D) HD22 :: 0.39(D) HD23 :: 0.39(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 :: 119.225(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 K 0.49 C Shift Assignments>> CA :: 58.707(D) CB :: 32.626(D) CG :: 25.17(D) CD :: 29.17(D) CE :: 42.07(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 :: 7.556(D) HA :: 4.011(D) HB2 :: 1.779(D) HB3 :: 1.72(D) HG2 :: 1.47(D) HG3 :: 1.42(D) HD2 :: 1.579(D) HD3 :: 1.498(D) HE2 :: 2.889(D) HE3 :: 2.889(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 :: 116.523(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 60.969(D) CB :: 64.18(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.366(D) HA :: 4.424(D) HB2 :: 3.891(D) HB3 :: 3.857(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 :: 115.278(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.64 A 0.26 I 0.05 C 0.02 C Shift Assignments>> CA :: 55.606(D) CB :: 17.74(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.771(D) HA :: 3.872(D) HB1 :: 1.282(D) HB2 :: 1.282(D) HB3 :: 1.282(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.689(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.24 C 0.17 D 0.07 N 0.07 I 0.06 L 0.04 E 0.02 M 0.01 HN Overlap>> 1.N79 1.N79 C Shift Assignments>> CA :: 56.795(D) CB :: 38.725(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 :: 8.367(D) HA :: 4.463(D) HB2 :: 2.795(D) HB3 :: 2.754(D) HD21 :: 7.597(D) HD22 :: 6.884(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.074(D) ND2 :: 112.766(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 60.942(D) CB :: 63.045(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.087(D) HA :: 4.239(D) HB2 :: 4.022(D) HB3 :: 3.98(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 :: 116.02(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.64 C 0.26 G 0.06 A 0.02 C Shift Assignments>> CA :: 55.079(D) CB :: 43.083(D) CG :: 26.67(D) CD1 :: 26.07(D) CD2 :: 23.37(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 :: 7.567(D) HA :: 4.239(D) HB2 :: 1.763(D) HB3 :: 1.527(D) HG :: 1.79(D) HD11 :: 0.78(D) HD12 :: 0.78(D) HD13 :: 0.78(D) HD21 :: 0.82(D) HD22 :: 0.82(D) HD23 :: 0.82(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 :: 119.547(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 C 0.02 C Shift Assignments>> CA :: 45.316(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.583(D) HA2 :: 3.657(D) HA3 :: 4.051(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.806(D) Ave N Shift Values>> N :: 109.67(3.87) 1.V71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.65 C 0.34 C Shift Assignments>> CA :: 62.055(D) CB :: 31.906(D) CG1 :: 21.52(D) CG2 :: 21.27(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 :: 7.174(D) HA :: 3.793(D) HB :: 1.76(D) HG11 :: 0.66(D) HG12 :: 0.66(D) HG13 :: 0.66(D) HG21 :: 0.68(D) HG22 :: 0.68(D) HG23 :: 0.68(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 :: 117.729(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.61 C 0.37 C Shift Assignments>> CA :: 56.77(D) CB :: 41.97(D) CG :: 27.16(D) CD1 :: 24.57(D) CD2 :: 23.43(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 :: 8.959(D) HA :: 4.1(D) HB2 :: 1.67(D) HB3 :: 1.519(D) HG :: 1.65(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 :: 127.271(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.72 C 0.12 D 0.08 F 0.02 Y 0.02 L 0.01 C Shift Assignments>> CA :: 50.012(D) CB :: 38.286(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 :: 8.28(D) HA :: 5.121(D) HB2 :: 2.989(D) HB3 :: 2.571(D) HD21 :: 6.965(D) HD22 :: 7.804(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 :: 114.774(D) ND2 :: 112.85(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P74 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>> CA :: 65.024(D) CB :: 32.97(D) CG :: 27.27(D) CD :: 50.57(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 :: 3.823(D) HB2 :: 1.859(D) HB3 :: 1.996(D) HG2 :: 1.957(D) HG3 :: 1.766(D) HD2 :: 3.558(D) HD3 :: 3.804(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.H75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.68 H 0.31 C Shift Assignments>> CA :: 60.147(D) CB :: 28.008(D) CD2 :: 119.77(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 :: 8.137(D) HA :: 3.873(D) HB2 :: 3.16(D) HB3 :: 3.19(D) HD2 :: 7.29(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 :: 113.989(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.57 C 0.41 C Shift Assignments>> CA :: 58.104(D) CB :: 41.602(D) CG :: 26.97(D) CD1 :: 24.37(D) CD2 :: 24.37(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 :: 7.258(D) HA :: 4.03(D) HB2 :: 1.66(D) HB3 :: 1.6(D) HG :: 1.45(D) HD11 :: 0.814(D) HD12 :: 0.814(D) HD13 :: 0.814(D) HD21 :: 0.885(D) HD22 :: 0.885(D) HD23 :: 0.885(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 :: 120.279(D) Ave N Shift Values>> N :: 121.86(3.9) 1.I77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.95 I 0.04 C Shift Assignments>> CA :: 63.68(D) CB :: 37.228(D) CG1 :: 28.425(D) CG2 :: 13.538(D) CD1 :: 17.23(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 :: 7.027(D) HA :: 3.82(D) HB :: 1.687(D) HG12 :: 1.422(D) HG13 :: 1.1(D) HG21 :: 0.689(D) HG22 :: 0.689(D) HG23 :: 0.689(D) HD11 :: 0.8(D) HD12 :: 0.8(D) HD13 :: 0.8(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 :: 116.594(D) Ave N Shift Values>> N :: 121.46(4.28) 1.A78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.59 A 0.26 I 0.08 C 0.04 V 0.01 C Shift Assignments>> CA :: 56.065(D) CB :: 18.405(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.81(D) HA :: 3.692(D) HB1 :: 0.846(D) HB2 :: 0.846(D) HB3 :: 0.846(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.121(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.27 F 0.23 C 0.17 N 0.08 D 0.08 I 0.06 L 0.04 E 0.03 M 0.01 HN Overlap>> 1.N67 1.N67 C Shift Assignments>> CA :: 56.705(D) CB :: 38.674(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 :: 8.318(D) HA :: 4.557(D) HB2 :: 2.907(D) HB3 :: 2.802(D) HD21 :: 7.63(D) HD22 :: 6.945(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.079(D) ND2 :: 112.562(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.21 C 0.2 F 0.16 N 0.12 E 0.11 D 0.04 I 0.04 M 0.03 L 0.02 C Shift Assignments>> CA :: 56.162(D) CB :: 37.817(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 :: 8.166(D) HA :: 4.425(D) HB2 :: 2.966(D) HB3 :: 2.679(D) HD21 :: 7.434(D) HD22 :: 6.663(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 :: 119.005(D) ND2 :: 109.833(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.96 I 0.02 C Shift Assignments>> CA :: 65.275(D) CB :: 37.114(D) CG1 :: 29.711(D) CG2 :: 13.37(D) CD1 :: 17.066(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 :: 8.308(D) HA :: 3.592(D) HB :: 1.867(D) HG12 :: 1.565(D) HG13 :: 1.012(D) HG21 :: 0.59(D) HG22 :: 0.59(D) HG23 :: 0.59(D) HD11 :: 0.79(D) HD12 :: 0.79(D) HD13 :: 0.79(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 :: 121.527(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Y82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.69 C 0.3 C Shift Assignments>> CA :: 62.862(D) CB :: 39.455(D) CD1 :: 133.082(D) CE1 :: 118.281(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 :: 8.435(D) HA :: 3.89(D) HB2 :: 3.164(D) HB3 :: 3.36(D) HD1 :: 6.954(D) HE1 :: 6.54(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 :: 120.757(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 Q 0.28 K 0.27 E 0.04 M 0.02 I 0.01 C Shift Assignments>> CA :: 58.237(D) CB :: 28.136(D) CG :: 33.603(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 :: 8.702(D) HA :: 3.87(D) HB2 :: 2.152(D) HB3 :: 2.076(D) HG2 :: 2.597(D) HG3 :: 2.542(D) HE21 :: 7.451(D) HE22 :: 6.819(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 :: 115.306(D) NE2 :: 111.148(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 62.47(D) CB :: 63.068(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.894(D) HA :: 4.084(D) HB2 :: 3.813(D) HB3 :: 4.01(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 :: 115.703(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V85 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.A133 1.A133 1.F17 1.V34 1.F17 1.V34 C Shift Assignments>> CA :: 66.565(D) CB :: 31.722(D) CG1 :: 22.17(D) CG2 :: 22.42(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 :: 7.91(D) HA :: 3.62(D) HB :: 2.1(D) HG11 :: 0.95(D) HG12 :: 0.95(D) HG13 :: 0.95(D) HG21 :: 1.04(D) HG22 :: 1.04(D) HG23 :: 1.04(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 :: 120.21(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.88 C 0.11 HN Overlap>> 1.T39 1.T39 C Shift Assignments>> CA :: 65.53(D) CB :: 31.17(D) CG1 :: 21.17(D) CG2 :: 20.87(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 :: 7.997(D) HA :: 3.614(D) HB :: 1.86(D) HG11 :: 0.585(D) HG12 :: 0.585(D) HG13 :: 0.585(D) HG21 :: 0.585(D) HG22 :: 0.585(D) HG23 :: 0.585(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 :: 113.714(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.S32 1.S32 C Shift Assignments>> CA :: 60.345(D) CB :: 63.618(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.805(D) HA :: 4.294(D) HB2 :: 3.934(D) HB3 :: 3.882(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 :: 113.807(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 N 0.21 L 0.17 F 0.08 Y 0.06 C 0.05 K 0.04 C Shift Assignments>> CA :: 53.504(D) CB :: 40.676(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 :: 7.465(D) HA :: 4.881(D) HB2 :: 2.837(D) HB3 :: 2.545(D) HD21 :: 7.904(D) HD22 :: 6.891(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 :: 119.139(D) ND2 :: 115.267(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.62 C 0.36 C Shift Assignments>> CA :: 57.376(D) CB :: 41.891(D) CG :: 26.294(D) CD1 :: 25.37(D) CD2 :: 24.019(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 :: 7.66(D) HA :: 4.008(D) HB2 :: 1.749(D) HB3 :: 1.528(D) HG :: 1.9(D) HD11 :: 0.85(D) HD12 :: 0.85(D) HD13 :: 0.85(D) HD21 :: 0.812(D) HD22 :: 0.812(D) HD23 :: 0.812(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 :: 120.812(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 L 0.18 F 0.15 Y 0.12 N 0.11 C 0.07 K 0.04 I 0.01 C Shift Assignments>> CA :: 55.163(D) CB :: 40.467(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 :: 8.42(D) HA :: 4.492(D) HB2 :: 2.74(D) HB3 :: 2.629(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 :: 116.745(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.97 I 0.02 C Shift Assignments>> CA :: 61.63(D) CB :: 38.729(D) CG1 :: 27.433(D) CG2 :: 13.78(D) CD1 :: 17.822(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 :: 7.671(D) HA :: 4.179(D) HB :: 1.958(D) HG12 :: 1.11(D) HG13 :: 1.365(D) HG21 :: 0.816(D) HG22 :: 0.816(D) HG23 :: 0.816(D) HD11 :: 0.799(D) HD12 :: 0.799(D) HD13 :: 0.799(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 :: 116.435(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.67 C 0.29 A 0.01 G 0.01 C Shift Assignments>> CA :: 55.386(D) CB :: 42.101(D) CG :: 26.88(D) CD1 :: 25.67(D) CD2 :: 23.499(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 :: 7.656(D) HA :: 4.22(D) HB2 :: 1.644(D) HB3 :: 1.353(D) HG :: 1.64(D) HD11 :: 0.88(D) HD12 :: 0.88(D) HD13 :: 0.88(D) HD21 :: 0.799(D) HD22 :: 0.799(D) HD23 :: 0.799(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 :: 121.51(D) Ave N Shift Values>> N :: 121.86(3.9) 1.H93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.62 C 0.37 HN Overlap>> 1.N119 1.T122 1.K136 1.N119 1.T122 1.K136 C Shift Assignments>> CA :: 55.07(D) CB :: 29.57(D) CD2 :: 120.039(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 :: 7.865(D) HA :: 4.776(D) HB2 :: 3.132(D) HB3 :: 3.391(D) HD2 :: 7.252(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 :: 116.3(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 60.862(D) CB :: 62.841(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.109(D) HB2 :: 3.844(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) 1.S95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 60.144(D) CB :: 63.26(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.453(D) HA :: 4.183(D) HB2 :: 3.883(D) HB3 :: 3.824(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 :: 115.961(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.81 M 0.14 C 0.02 L 0.01 C Shift Assignments>> CA :: 53.47(D) CB :: 19.363(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.739(D) HA :: 4.366(D) HB1 :: 1.53(D) HB2 :: 1.53(D) HB3 :: 1.53(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.739(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> C 0.52 M 0.42 A 0.04 C Shift Assignments>> CA :: 57.578(D) CB :: 33.051(D) CG :: 32.67(D) CE :: 18.611(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>> HA :: 4.434(D) HB2 :: 2.508(D) HB3 :: 2.508(D) HG2 :: 1.88(D) HG3 :: 2.35(D) HE1 :: 2.037(D) HE2 :: 2.037(D) HE3 :: 2.037(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) 1.V98 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>> CA :: 65.97(D) CB :: 30.97(D) CG1 :: 20.649(D) CG2 :: 21.47(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 :: 7.905(D) HA :: 3.08(D) HB :: 1.704(D) HG11 :: 0.602(D) HG12 :: 0.602(D) HG13 :: 0.602(D) HG21 :: 0.18(D) HG22 :: 0.18(D) HG23 :: 0.18(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.5(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.23 F 0.19 C 0.17 N 0.15 D 0.08 E 0.05 I 0.04 L 0.03 M 0.02 C Shift Assignments>> CA :: 55.99(D) CB :: 38.34(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 :: 7.19(D) HA :: 4.46(D) HB2 :: 2.8(D) HB3 :: 2.73(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.868(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.52 C 0.46 G 0.01 HN Overlap>> 1.E140 1.E140 C Shift Assignments>> CA :: 58.67(D) CB :: 42.17(D) CG :: 27.27(D) CD1 :: 25.17(D) CD2 :: 24.87(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 :: 8.15(D) HA :: 4.037(D) HB2 :: 1.83(D) HB3 :: 1.79(D) HG :: 1.64(D) HD11 :: 0.87(D) HD12 :: 0.87(D) HD13 :: 0.87(D) HD21 :: 0.89(D) HD22 :: 0.89(D) HD23 :: 0.89(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(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.65 C 0.34 C Shift Assignments>> CA :: 62.57(D) CB :: 39(D) CD1 :: 132.129(D) CE1 :: 118.467(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 :: 8.485(D) HA :: 3.77(D) HB2 :: 3.17(D) HB3 :: 3.11(D) HD1 :: 6.64(D) HE1 :: 6.34(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.175(D) Ave N Shift Values>> N :: 120.52(4.2) 1.A102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.5 M 0.33 C 0.06 I 0.02 V 0.02 L 0.02 C Shift Assignments>> CA :: 55.5(D) CB :: 19.419(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.34(D) HA :: 3.39(D) HB1 :: 1.505(D) HB2 :: 1.505(D) HB3 :: 1.505(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.146(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.26 F 0.25 C 0.14 D 0.12 L 0.07 N 0.07 I 0.05 C Shift Assignments>> CA :: 56.631(D) CB :: 39.298(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 :: 8.468(D) HA :: 4.081(D) HB2 :: 2.732(D) HB3 :: 2.588(D) HD21 :: 7.348(D) HD22 :: 6.72(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 :: 115.114(D) ND2 :: 111.165(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.47 M 0.45 C 0.03 I 0.02 HN Overlap>> 1.I10 1.I10 C Shift Assignments>> CA :: 55.058(D) CB :: 18.543(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.944(D) HA :: 3.933(D) HB1 :: 1.264(D) HB2 :: 1.264(D) HB3 :: 1.264(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.177(D) Ave N Shift Values>> N :: 123.23(3.54) 1.M105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.48 M 0.47 A 0.03 C Shift Assignments>> CA :: 57.182(D) CB :: 32.661(D) CG :: 30.966(D) CE :: 17.106(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 :: 8.28(D) HA :: 3.986(D) HB2 :: 2.244(D) HB3 :: 1.926(D) HG2 :: 1.46(D) HG3 :: 1.41(D) HE1 :: 1.823(D) HE2 :: 1.823(D) HE3 :: 1.823(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 :: 118.515(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.63 M 0.2 C 0.07 L 0.04 V 0.02 I 0.01 C Shift Assignments>> CA :: 54.946(D) CB :: 19.832(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.222(D) HA :: 2.9(D) HB1 :: 1.161(D) HB2 :: 1.161(D) HB3 :: 1.161(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.152(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> CA :: 47.402(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.305(D) HA2 :: 3.501(D) HA3 :: 3.719(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.97(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.K125 1.K125 C Shift Assignments>> CA :: 63.063(D) CB :: 63.296(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.507(D) HA :: 4.16(D) HB2 :: 3.872(D) HB3 :: 3.672(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.158(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.51 C 0.43 G 0.03 A 0.01 C Shift Assignments>> CA :: 57.729(D) CB :: 42.67(D) CG :: 26.35(D) CD1 :: 26.168(D) CD2 :: 22.276(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 :: 8.221(D) HA :: 3.778(D) HB2 :: 1.616(D) HB3 :: 0.98(D) HG :: 1.73(D) HD11 :: 0.48(D) HD12 :: 0.48(D) HD13 :: 0.48(D) HD21 :: 0.53(D) HD22 :: 0.53(D) HD23 :: 0.53(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 :: 119.871(D) Ave N Shift Values>> N :: 121.86(3.9) 1.F110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.38 Y 0.36 C 0.24 C Shift Assignments>> CA :: 62.197(D) CB :: 39.275(D) CD1 :: 131.168(D) CE1 :: 129.332(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 :: 8.7(D) HA :: 4.144(D) HB2 :: 3.06(D) HB3 :: 3(D) HD1 :: 7.047(D) HE1 :: 7.042(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 :: 122(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.56 C 0.42 C Shift Assignments>> CA :: 57.826(D) CB :: 41.707(D) CG :: 27.157(D) CD1 :: 25.412(D) CD2 :: 23.105(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 :: 8.356(D) HA :: 3.835(D) HB2 :: 1.873(D) HB3 :: 1.571(D) HG :: 1.855(D) HD11 :: 0.831(D) HD12 :: 0.831(D) HD13 :: 0.831(D) HD21 :: 0.902(D) HD22 :: 0.902(D) HD23 :: 0.902(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 :: 122.916(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.37 C 0.29 K 0.11 Q 0.11 M 0.06 I 0.02 C Shift Assignments>> CA :: 56.489(D) CB :: 29.749(D) CG :: 35.872(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 :: 7.458(D) HA :: 4.154(D) HB2 :: 2.28(D) HB3 :: 1.81(D) HG2 :: 2.407(D) HG3 :: 2.326(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 :: 114.503(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.399(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.56(D) HA2 :: 3.659(D) HA3 :: 3.978(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.532(D) Ave N Shift Values>> N :: 109.67(3.87) 1.I114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.96 I 0.03 C Shift Assignments>> CA :: 61.886(D) CB :: 39.67(D) CG1 :: 28.301(D) CG2 :: 13.636(D) CD1 :: 17.251(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 :: 7.485(D) HA :: 3.849(D) HB :: 1.566(D) HG12 :: 1.318(D) HG13 :: 1.024(D) HG21 :: 0.689(D) HG22 :: 0.689(D) HG23 :: 0.689(D) HD11 :: 0.848(D) HD12 :: 0.848(D) HD13 :: 0.848(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 :: 118.096(D) Ave N Shift Values>> N :: 121.46(4.28) 1.L115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.5 C 0.26 L 0.22 C Shift Assignments>> CA :: 54.34(D) CB :: 44.77(D) CG :: 27.37(D) CD1 :: 25.67(D) CD2 :: 27.17(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 :: 6.477(D) HA :: 4.349(D) HB2 :: 1.015(D) HB3 :: 1.36(D) HG :: 1.55(D) HD11 :: 1.087(D) HD12 :: 1.087(D) HD13 :: 1.087(D) HD21 :: 0.773(D) HD22 :: 0.773(D) HD23 :: 0.773(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 :: 120.347(D) Ave N Shift Values>> N :: 121.86(3.9) 1.N116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 N 0.31 L 0.14 C 0.05 F 0.05 Y 0.04 K 0.02 C Shift Assignments>> CA :: 52.376(D) CB :: 40.57(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 :: 9.655(D) HA :: 4.916(D) HB2 :: 3.1(D) HB3 :: 2.84(D) HD21 :: 7.606(D) HD22 :: 6.613(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 :: 124.575(D) ND2 :: 115.578(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 62.62(D) CB :: 63.11(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.763(D) HA :: 3.97(D) HB2 :: 3.92(D) HB3 :: 3.91(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.9(D) Ave N Shift Values>> N :: 116.28(3.52) 1.D118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.2 D 0.18 F 0.17 K 0.17 Y 0.13 C 0.07 N 0.02 I 0.01 C Shift Assignments>> CA :: 56.325(D) CB :: 41.18(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 :: 8.439(D) HA :: 4.663(D) HB2 :: 2.67(D) HB3 :: 2.68(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 :: 120.265(D) Ave N Shift Values>> N :: 120.65(3.86) 1.N119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.59 D 0.18 C 0.07 F 0.04 L 0.04 Y 0.04 HN Overlap>> 1.H93 1.H93 1.T122 1.K136 1.T122 1.K136 C Shift Assignments>> CA :: 52.024(D) CB :: 39.038(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 :: 7.897(D) HA :: 4.888(D) HB2 :: 3.22(D) HB3 :: 2.701(D) HD21 :: 7.305(D) HD22 :: 7.21(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.385(D) ND2 :: 106.82(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.22 C 0.18 M 0.17 A 0.14 T 0.11 L 0.09 I 0.05 C Shift Assignments>> CA :: 57.203(D) CB :: 20.257(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.435(D) HA :: 4.025(D) HB1 :: 1.555(D) HB2 :: 1.555(D) HB3 :: 1.555(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.909(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.67 A 0.24 I 0.05 C 0.02 C Shift Assignments>> CA :: 55.56(D) CB :: 17.482(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.567(D) HA :: 3.766(D) HB1 :: 1.316(D) HB2 :: 1.316(D) HB3 :: 1.316(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.723(D) Ave N Shift Values>> N :: 123.23(3.54) 1.T122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.96 C 0.03 HN Overlap>> 1.H93 1.N119 1.H93 1.N119 C Shift Assignments>> CA :: 66.273(D) CB :: 68.623(D) CG2 :: 22.116(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 :: 7.865(D) HA :: 3.827(D) HB :: 4.198(D) HG21 :: 1.217(D) HG22 :: 1.217(D) HG23 :: 1.217(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.278(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.49 C 0.49 C Shift Assignments>> CA :: 57.972(D) CB :: 41.226(D) CG :: 27.327(D) CD1 :: 26.245(D) CD2 :: 23.093(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 :: 8.98(D) HA :: 4.144(D) HB2 :: 2.095(D) HB3 :: 1.378(D) HG :: 1.834(D) HD11 :: 0.839(D) HD12 :: 0.839(D) HD13 :: 0.839(D) HD21 :: 0.842(D) HD22 :: 0.842(D) HD23 :: 0.842(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.623(D) Ave N Shift Values>> N :: 121.86(3.9) 1.A124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.6 A 0.25 I 0.08 C 0.04 V 0.01 C Shift Assignments>> CA :: 56.091(D) CB :: 18.345(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.036(D) HA :: 3.35(D) HB1 :: 0.928(D) HB2 :: 0.928(D) HB3 :: 0.928(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.301(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 K 0.48 HN Overlap>> 1.S108 1.S108 C Shift Assignments>> CA :: 59.29(D) CB :: 32.091(D) CG :: 24.97(D) CD :: 29.301(D) CE :: 42.17(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 :: 7.472(D) HA :: 3.843(D) HB2 :: 1.895(D) HB3 :: 1.812(D) HG2 :: 1.39(D) HG3 :: 1.39(D) HD2 :: 1.645(D) HD3 :: 1.575(D) HE2 :: 2.89(D) HE3 :: 2.91(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 :: 117.16(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.51 K 0.47 G 0.01 C Shift Assignments>> CA :: 59.869(D) CB :: 32.467(D) CG :: 25.374(D) CD :: 29.174(D) CE :: 42.17(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 :: 8.138(D) HA :: 4.04(D) HB2 :: 2.026(D) HB3 :: 1.952(D) HG2 :: 1.45(D) HG3 :: 1.54(D) HD2 :: 1.64(D) HD3 :: 1.62(D) HE2 :: 2.89(D) HE3 :: 2.89(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 :: 120.733(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> P 0.53 I 0.37 C 0.08 C Shift Assignments>> CA :: 64.186(D) CB :: 27.137(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.564(D) HA :: 4.27(D) HB2 :: 3.232(D) HB3 :: 3.191(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 :: 116.65(D) Ave N Shift Values>> N :: 120.17(4.64) 1.A128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.52 A 0.34 I 0.05 C 0.04 V 0.01 C Shift Assignments>> CA :: 55.78(D) CB :: 18.621(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.51(D) HA :: 4.033(D) HB1 :: 1.275(D) HB2 :: 1.275(D) HB3 :: 1.275(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.529(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.23 C 0.2 F 0.19 N 0.11 E 0.08 D 0.05 I 0.05 M 0.02 L 0.02 C Shift Assignments>> CA :: 56.318(D) CB :: 38.063(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 :: 8.818(D) HA :: 4.42(D) HB2 :: 2.98(D) HB3 :: 2.83(D) HD21 :: 7.585(D) HD22 :: 6.81(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.497(D) ND2 :: 110.744(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.28 C 0.14 D 0.09 L 0.07 I 0.07 N 0.03 HN Overlap>> 1.A135 1.A135 C Shift Assignments>> CA :: 57.288(D) CB :: 39.608(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 :: 8.543(D) HA :: 4.375(D) HB2 :: 2.884(D) HB3 :: 2.481(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 :: 121.75(D) Ave N Shift Values>> N :: 120.65(3.86) 1.M131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.63 M 0.36 C Shift Assignments>> CA :: 59.432(D) CB :: 33.66(D) CG :: 32.897(D) CE :: 17.907(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 :: 7.878(D) HA :: 3.952(D) HB2 :: 2.03(D) HB3 :: 2.29(D) HG2 :: 2.531(D) HG3 :: 2.25(D) HE1 :: 1.48(D) HE2 :: 1.48(D) HE3 :: 1.48(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.964(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.41 I 0.27 E 0.26 K 0.02 HN Overlap>> 1.V62 1.V62 C Shift Assignments>> CA :: 60.146(D) CB :: 29.632(D) CG :: 36.945(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 :: 8.664(D) HA :: 3.7(D) HB2 :: 2.15(D) HB3 :: 2.1(D) HG2 :: 2.23(D) HG3 :: 2.132(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 :: 121.017(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.53 A 0.4 I 0.03 C 0.02 HN Overlap>> 1.V85 1.F17 1.V34 1.V85 1.F17 1.V34 C Shift Assignments>> CA :: 54.938(D) CB :: 17.97(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.843(D) HA :: 4.027(D) HB1 :: 1.445(D) HB2 :: 1.445(D) HB3 :: 1.445(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.189(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.4 Y 0.4 C 0.18 C Shift Assignments>> CA :: 60.317(D) CB :: 39.924(D) CD1 :: 131.644(D) CE1 :: 129.618(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 :: 7.752(D) HA :: 4.177(D) HB2 :: 3.13(D) HB3 :: 3.1(D) HD1 :: 7.1(D) HE1 :: 7.091(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 :: 118.599(D) Ave N Shift Values>> N :: 120.45(4.18) 1.A135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.58 M 0.34 C 0.03 I 0.01 HN Overlap>> 1.D130 1.D130 C Shift Assignments>> CA :: 54.67(D) CB :: 18.832(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.548(D) HA :: 3.91(D) HB1 :: 1.411(D) HB2 :: 1.411(D) HB3 :: 1.411(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.85(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 K 0.48 HN Overlap>> 1.H93 1.N119 1.H93 1.N119 C Shift Assignments>> CA :: 58.869(D) CB :: 32.49(D) CG :: 25.54(D) CD :: 29.177(D) CE :: 42.019(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 :: 7.855(D) HA :: 3.942(D) HB2 :: 1.859(D) HB3 :: 1.77(D) HG2 :: 1.591(D) HG3 :: 1.429(D) HD2 :: 1.634(D) HD3 :: 1.599(D) HE2 :: 2.9(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 :: 116.4(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.51 C 0.47 C Shift Assignments>> CA :: 56.875(D) CB :: 32.352(D) CG :: 24.72(D) CD :: 28.847(D) CE :: 42.027(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 :: 7.312(D) HA :: 4.147(D) HB2 :: 1.797(D) HB3 :: 1.714(D) HG2 :: 1.398(D) HG3 :: 1.337(D) HD2 :: 1.618(D) HD3 :: 1.552(D) HE2 :: 2.88(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 :: 116.815(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.49 C 0.43 A 0.06 C Shift Assignments>> CA :: 56.674(D) CB :: 33.176(D) CG :: 31.775(D) CE :: 17.225(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 :: 7.585(D) HA :: 4.178(D) HB2 :: 1.959(D) HB3 :: 1.82(D) HG2 :: 2.334(D) HG3 :: 2.28(D) HE1 :: 1.939(D) HE2 :: 1.939(D) HE3 :: 1.939(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 :: 117.754(D) Ave N Shift Values>> N :: 120.09(3.57) 1.V139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.68 C 0.31 C Shift Assignments>> CA :: 62.634(D) CB :: 32.479(D) CG1 :: 20.417(D) CG2 :: 20.972(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 :: 7.713(D) HA :: 4.03(D) HB :: 2.075(D) HG11 :: 0.875(D) HG12 :: 0.875(D) HG13 :: 0.875(D) HG21 :: 0.852(D) HG22 :: 0.852(D) HG23 :: 0.852(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 :: 117.583(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.34 C 0.28 Q 0.14 K 0.13 M 0.06 I 0.02 HN Overlap>> 1.L100 1.L100 C Shift Assignments>> CA :: 56.633(D) CB :: 29.745(D) CG :: 35.64(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 :: 8.148(D) HA :: 4.236(D) HB2 :: 1.987(D) HB3 :: 1.898(D) HG2 :: 2.264(D) HG3 :: 2.256(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 :: 122.109(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.99 C Shift Assignments>> CA :: 61.201(D) CB :: 38.83(D) CG1 :: 27.442(D) CG2 :: 12.977(S) CD1 :: 17.659(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 :: 7.914(D) HA :: 4.137(D) HB :: 1.851(D) HG12 :: 1.395(D) HG13 :: 1.112(D) HG21 :: 0.768(D) HG22 :: 0.768(D) HG23 :: 0.768(D) HD11 :: 0.833(D) HD12 :: 0.833(D) HD13 :: 0.833(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 :: 120.492(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.598(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.892(D) HA2 :: 3.678(D) HA3 :: 3.751(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.601(D) Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 2 #Clerical: 137 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 140 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 142 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 455 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 962 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 149 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N1 CA = 53.292(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.9505e-01 1.N1 CB = 38.599(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.5706e-01 1.N1 H = 8.467(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.4024e-01 1.N1 HA = 4.633(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.1814e-01 1.N1 HB2 = 2.764(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.8204e-01 1.N1 HB3 = 2.705(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.9153e-01 1.N1 HD21 = 7.521(D), Expected = 7.35, Std = 0.4800, ChiSquare = 7.2165e-01 1.N1 HD22 = 6.833(D), Expected = 7.14, Std = 0.4900, ChiSquare = 5.3097e-01 1.N1 N = 120.403(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.1473e-01 1.N1 ND2 = 112.689(D), Expected = 112.75, Std = 2.2300, ChiSquare = 9.7818e-01 1.L2 CA = 55.242(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.5914e-01 1.L2 CB = 42.423(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.5207e-01 1.L2 CG = 26.92(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.9872e-01 1.L2 CD1 = 25.13(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.9651e-01 1.L2 CD2 = 23.377(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.9219e-01 1.L2 H = 8.098(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.3907e-01 1.L2 HA = 4.281(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.3387e-01 1.L2 HB2 = 1.558(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.7844e-01 1.L2 HB3 = 1.473(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.9613e-01 1.L2 HG = 1.509(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.9758e-01 1.L2 HD11 = 0.795(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7232e-01 1.L2 HD12 = 0.795(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7232e-01 1.L2 HD13 = 0.795(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7232e-01 1.L2 HD21 = 0.743(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.6424e-01 1.L2 HD22 = 0.743(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.6424e-01 1.L2 HD23 = 0.743(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.6424e-01 1.L2 N = 121.8(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.8773e-01 1.S3 CA = 58.086(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.5939e-01 1.S3 CB = 63.843(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.7682e-01 1.S3 H = 8.26(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.7296e-01 1.S3 HA = 4.408(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.5715e-01 1.S3 HB2 = 3.809(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.7641e-01 1.S3 HB3 = 3.776(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.8403e-01 1.S3 N = 116.621(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.2283e-01 1.I4 CA = 61.578(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.9047e-01 1.I4 CB = 38.717(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.6565e-01 1.I4 CG1 = 27.197(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.6009e-01 1.I4 CG2 = 13.221(D), Expected = 17.53, Std = 1.3600, ChiSquare = 1.5329e-03 1.I4 CD1 = 17.551(D), Expected = 13.43, Std = 1.6700, ChiSquare = 1.3600e-02 1.I4 H = 8.039(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.2303e-01 1.I4 HA = 4.09(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.7232e-01 1.I4 HB = 1.787(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.8074e-01 1.I4 HG12 = 1.068(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.9611e-01 1.I4 HG13 = 1.35(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.9636e-01 1.I4 HG21 = 0.728(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7638e-01 1.I4 HG22 = 0.728(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7638e-01 1.I4 HG23 = 0.728(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7638e-01 1.I4 HD11 = 0.792(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9934e-01 1.I4 HD12 = 0.792(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9934e-01 1.I4 HD13 = 0.792(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9934e-01 1.I4 N = 121.909(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.1645e-01 1.G5 CA = 45.226(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2627e-01 1.G5 H = 8.284(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.4358e-01 1.G5 HA2 = 3.87(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.8695e-01 1.G5 HA3 = 3.87(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.3538e-01 1.G5 N = 111.693(D), Expected = 109.67, Std = 3.8700, ChiSquare = 6.0116e-01 1.D6 CA = 54.338(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.6234e-01 1.D6 CB = 41.163(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.6132e-01 1.D6 H = 8.099(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.1601e-01 1.D6 HA = 4.633(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.9311e-01 1.D6 HB2 = 2.63(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.2923e-01 1.D6 HB3 = 2.7(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.8640e-01 1.D6 N = 120.327(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.3331e-01 1.T7 CA = 62.579(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.8976e-01 1.T7 CB = 69.385(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.3238e-01 1.T7 CG2 = 21.687(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.0177e-01 1.T7 H = 8.174(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.1522e-01 1.T7 HA = 4.233(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.3627e-01 1.T7 HB = 4.249(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.1080e-01 1.T7 HG21 = 1.128(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5839e-01 1.T7 HG22 = 1.128(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5839e-01 1.T7 HG23 = 1.128(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.5839e-01 1.T7 N = 114.311(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.1539e-01 1.T8 CA = 63.274(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.8404e-01 1.T8 CB = 69.389(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.3429e-01 1.T8 CG2 = 21.691(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.9892e-01 1.T8 H = 8.144(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.7695e-01 1.T8 HA = 4.153(D), Expected = 4.46, Std = 0.4800, ChiSquare = 5.2244e-01 1.T8 HB = 4.173(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.9275e-01 1.T8 HG21 = 1.125(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.4800e-01 1.T8 HG22 = 1.125(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.4800e-01 1.T8 HG23 = 1.125(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.4800e-01 1.T8 N = 115.841(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.2937e-01 1.S9 CA = 59.039(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.7753e-01 1.S9 CB = 63.537(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.5896e-01 1.S9 H = 8.144(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.1770e-01 1.S9 HA = 4.338(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.2259e-01 1.S9 HB2 = 3.83(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.4148e-01 1.S9 HB3 = 3.78(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.9544e-01 1.S9 N = 117.676(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.9167e-01 1.I10 CA = 62.137(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.4411e-01 1.I10 CB = 38.157(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.1486e-01 1.I10 CG1 = 27.737(D), Expected = 27.71, Std = 1.6800, ChiSquare = 9.8718e-01 1.I10 CG2 = 12.982(S), Expected = 17.53, Std = 1.3600, ChiSquare = 8.2545e-04 1.I10 CD1 = 17.729(D), Expected = 13.43, Std = 1.6700, ChiSquare = 1.0046e-02 1.I10 H = 7.961(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.3899e-01 1.I10 HA = 3.952(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.8390e-01 1.I10 HB = 1.777(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.9175e-01 1.I10 HG12 = 1.359(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.4344e-01 1.I10 HG13 = 1.075(D), Expected = 1.19, Std = 0.4100, ChiSquare = 7.7910e-01 1.I10 HG21 = 0.706(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.1263e-01 1.I10 HG22 = 0.706(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.1263e-01 1.I10 HG23 = 0.706(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.1263e-01 1.I10 HD11 = 0.778(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.3541e-01 1.I10 HD12 = 0.778(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.3541e-01 1.I10 HD13 = 0.778(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.3541e-01 1.I10 N = 122.205(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.6181e-01 1.I11 CA = 62.478(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.4603e-01 1.I11 CB = 38.079(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.8503e-01 1.I11 CG1 = 27.957(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.8311e-01 1.I11 CG2 = 12.962(S), Expected = 17.53, Std = 1.3600, ChiSquare = 7.8275e-04 1.I11 CD1 = 17.626(D), Expected = 13.43, Std = 1.6700, ChiSquare = 1.1985e-02 1.I11 H = 7.764(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.4796e-01 1.I11 HA = 3.902(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.1959e-01 1.I11 HB = 1.759(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.4227e-01 1.I11 HG12 = 1.401(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.6227e-01 1.I11 HG13 = 1.114(D), Expected = 1.19, Std = 0.4100, ChiSquare = 8.5294e-01 1.I11 HG21 = 0.741(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.1447e-01 1.I11 HG22 = 0.741(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.1447e-01 1.I11 HG23 = 0.741(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.1447e-01 1.I11 HD11 = 0.784(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.1988e-01 1.I11 HD12 = 0.784(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.1988e-01 1.I11 HD13 = 0.784(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.1988e-01 1.I11 N = 121.603(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.7335e-01 1.Q12 CA = 56.797(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.1552e-01 1.Q12 CB = 28.711(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.9241e-01 1.Q12 CG = 33.766(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.9569e-01 1.Q12 H = 7.963(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.6313e-01 1.Q12 HA = 4.089(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.8081e-01 1.Q12 HB2 = 1.9(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.4851e-01 1.Q12 HB3 = 1.96(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.3032e-01 1.Q12 HG2 = 2.25(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.9544e-01 1.Q12 HG3 = 2.25(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.9030e-01 1.Q12 HE21 = 7.381(D), Expected = 7.24, Std = 0.4500, ChiSquare = 7.5403e-01 1.Q12 HE22 = 6.785(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.9328e-01 1.Q12 N = 121.21(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.1387e-01 1.Q12 NE2 = 111.919(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.7727e-01 1.L13 CA = 56.169(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.9660e-01 1.L13 CB = 42.225(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.6394e-01 1.L13 CG = 26.67(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.2034e-01 1.L13 CD1 = 24.84(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.3984e-01 1.L13 CD2 = 23.87(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.1568e-01 1.L13 H = 7.804(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1222e-01 1.L13 HA = 4.014(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.1501e-01 1.L13 HB2 = 1.399(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.3487e-01 1.L13 HB3 = 1.176(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.3930e-01 1.L13 HG = 1.33(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.8544e-01 1.L13 HD11 = 0.68(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.0259e-01 1.L13 HD12 = 0.68(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.0259e-01 1.L13 HD13 = 0.68(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.0259e-01 1.L13 HD21 = 0.58(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.0499e-01 1.L13 HD22 = 0.58(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.0499e-01 1.L13 HD23 = 0.58(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.0499e-01 1.L13 N = 121.273(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.8036e-01 1.F14 CA = 57.543(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.3449e-01 1.F14 CB = 38.81(D), Expected = 39.99, Std = 2.0900, ChiSquare = 5.7235e-01 1.F14 CD1 = 131.504(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.4865e-01 1.F14 CE1 = 129.339(D), Expected = 130.71, Std = 1.3000, ChiSquare = 2.9160e-01 1.F14 H = 7.788(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.2694e-01 1.F14 HA = 4.489(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.0462e-01 1.F14 HB2 = 3.15(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.8518e-01 1.F14 HB3 = 2.831(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.0452e-01 1.F14 HD1 = 7.075(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.6141e-01 1.F14 HE1 = 7.051(D), Expected = 7.08, Std = 0.3100, ChiSquare = 9.2547e-01 1.F14 N = 116.64(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.6204e-01 1.K15 CA = 57.517(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.9662e-01 1.K15 CB = 32.669(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.4580e-01 1.K15 CG = 24.666(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.4287e-01 1.K15 CD = 28.941(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.8596e-01 1.K15 CE = 42.118(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.8097e-01 1.K15 H = 7.842(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.6191e-01 1.K15 HA = 4.077(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.6092e-01 1.K15 HB2 = 1.734(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.5401e-01 1.K15 HB3 = 1.675(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.0976e-01 1.K15 HG2 = 1.35(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.3868e-01 1.K15 HG3 = 1.3(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.5827e-01 1.K15 HD2 = 1.57(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.5573e-01 1.K15 HD3 = 1.57(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.9153e-01 1.K15 HE2 = 2.89(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.7454e-01 1.K15 N = 121.2(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.6826e-01 1.N16 CA = 53.238(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.7238e-01 1.N16 CB = 38.438(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.8147e-01 1.N16 H = 8.188(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.0935e-01 1.N16 HA = 4.553(D), Expected = 4.67, Std = 0.3600, ChiSquare = 7.4518e-01 1.N16 HB2 = 2.69(D), Expected = 2.81, Std = 0.3100, ChiSquare = 6.9868e-01 1.N16 HB3 = 2.65(D), Expected = 2.75, Std = 0.3300, ChiSquare = 7.6187e-01 1.N16 HD21 = 7.485(D), Expected = 7.35, Std = 0.4800, ChiSquare = 7.7852e-01 1.N16 HD22 = 6.78(D), Expected = 7.14, Std = 0.4900, ChiSquare = 4.6253e-01 1.N16 N = 117.419(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.0771e-01 1.N16 ND2 = 112.441(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.8979e-01 1.F17 CA = 58.733(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.9943e-01 1.F17 CB = 39.7(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.8964e-01 1.F17 CD1 = 131.775(D), Expected = 131.58, Std = 1.1800, ChiSquare = 8.6874e-01 1.F17 CE1 = 129.813(D), Expected = 130.71, Std = 1.3000, ChiSquare = 4.9019e-01 1.F17 H = 7.932(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.5221e-01 1.F17 HA = 4.484(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.9784e-01 1.F17 HB2 = 3.06(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.7118e-01 1.F17 HB3 = 3(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.6108e-01 1.F17 HD1 = 7.116(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.5665e-01 1.F17 HE1 = 7.104(D), Expected = 7.08, Std = 0.3100, ChiSquare = 9.3829e-01 1.F17 N = 120.22(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.5612e-01 1.T18 CA = 61.07(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.5703e-01 1.T18 CB = 69.702(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.8629e-01 1.T18 CG2 = 21.145(D), Expected = 21.55, Std = 1.1100, ChiSquare = 7.1521e-01 1.T18 H = 7.89(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.7240e-01 1.T18 HA = 4.22(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.1707e-01 1.T18 HB = 4.079(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.8273e-01 1.T18 HG21 = 1.02(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.0185e-01 1.T18 HG22 = 1.02(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.0185e-01 1.T18 HG23 = 1.02(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.0185e-01 1.T18 N = 116.976(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.4323e-01 1.P21 CA = 65.392(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.7491e-01 1.P21 CB = 31.87(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.8648e-01 1.P21 CG = 27.706(D), Expected = 27.17, Std = 1.0900, ChiSquare = 6.2290e-01 1.P21 CD = 50.77(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.4944e-01 1.P21 HA = 4.284(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.2520e-01 1.P21 HB2 = 1.92(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.4757e-01 1.P21 HB3 = 1.93(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.4583e-01 1.P21 HG2 = 2.049(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.0107e-01 1.P21 HG3 = 2.049(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.5162e-01 1.P21 HD2 = 3.75(D), Expected = 3.65, Std = 0.3500, ChiSquare = 7.7510e-01 1.S22 CA = 61.27(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.1799e-01 1.S22 CB = 61.37(D), Expected = 63.80, Std = 1.4800, ChiSquare = 1.0061e-01 1.S22 H = 8.061(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.1050e-01 1.S22 HA = 3.767(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.4668e-02 1.S22 HB2 = 3.81(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.7948e-01 1.S22 HB3 = 3.44(D), Expected = 3.85, Std = 0.2700, ChiSquare = 1.2888e-01 1.S22 N = 111.461(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.7099e-01 1.V23 CA = 66.37(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7489e-01 1.V23 CB = 31.486(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.8707e-01 1.V23 CG1 = 20.962(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.9784e-01 1.V23 CG2 = 22.762(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.3564e-01 1.V23 H = 6.777(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.3933e-02 1.V23 HA = 3.44(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.9598e-01 1.V23 HB = 1.996(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.6012e-01 1.V23 HG11 = 0.807(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2951e-01 1.V23 HG12 = 0.807(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2951e-01 1.V23 HG13 = 0.807(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.2951e-01 1.V23 HG21 = 0.537(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.4758e-01 1.V23 HG22 = 0.537(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.4758e-01 1.V23 HG23 = 0.537(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.4758e-01 1.V23 N = 124.109(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.1313e-01 1.A24 CA = 55.525(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.2838e-01 1.A24 CB = 17.696(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.7274e-01 1.A24 H = 7.249(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.1297e-01 1.A24 HA = 3.803(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.9897e-01 1.A24 HB1 = 1.286(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.0556e-01 1.A24 HB2 = 1.286(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.0556e-01 1.A24 HB3 = 1.286(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.0556e-01 1.A24 N = 121.859(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.9854e-01 1.T25 CA = 66.646(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.7473e-02 1.T25 CB = 68.16(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.3545e-01 1.T25 CG2 = 22.585(D), Expected = 21.55, Std = 1.1100, ChiSquare = 3.5111e-01 1.T25 H = 8.494(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.8204e-01 1.T25 HA = 3.918(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.5883e-01 1.T25 HB = 4.073(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.6880e-01 1.T25 HG21 = 1.181(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.5852e-01 1.T25 HG22 = 1.181(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.5852e-01 1.T25 HG23 = 1.181(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.5852e-01 1.T25 N = 116.234(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.6393e-01 1.F26 CA = 61.963(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.3082e-01 1.F26 CB = 39.386(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.7258e-01 1.F26 CD1 = 132.758(D), Expected = 131.58, Std = 1.1800, ChiSquare = 3.1813e-01 1.F26 CE1 = 131.57(D), Expected = 130.71, Std = 1.3000, ChiSquare = 5.0827e-01 1.F26 CZ = 130.27(D), Expected = 129.21, Std = 1.4300, ChiSquare = 4.5854e-01 1.F26 H = 8.31(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.4464e-01 1.F26 HA = 3.899(D), Expected = 4.63, Std = 0.5700, ChiSquare = 1.9968e-01 1.F26 HB2 = 3.436(D), Expected = 3.00, Std = 0.3700, ChiSquare = 2.3865e-01 1.F26 HB3 = 3.088(D), Expected = 2.93, Std = 0.4000, ChiSquare = 6.9284e-01 1.F26 HD1 = 7.13(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.2135e-01 1.F26 HE1 = 7.128(D), Expected = 7.08, Std = 0.3100, ChiSquare = 8.7695e-01 1.F26 HZ = 6.842(D), Expected = 7.00, Std = 0.4200, ChiSquare = 7.0678e-01 1.F26 N = 124.89(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.8814e-01 1.I27 CA = 66.595(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.2875e-02 1.I27 CB = 38.891(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.9719e-01 1.I27 CG1 = 29.233(D), Expected = 27.71, Std = 1.6800, ChiSquare = 3.6465e-01 1.I27 CG2 = 17.37(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.0635e-01 1.I27 CD1 = 15.01(D), Expected = 13.43, Std = 1.6700, ChiSquare = 3.4409e-01 1.I27 H = 8.595(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.4320e-01 1.I27 HA = 3.501(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.2532e-01 1.I27 HB = 1.827(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.7125e-01 1.I27 HG12 = 1.927(D), Expected = 1.28, Std = 0.4000, ChiSquare = 1.0577e-01 1.I27 HG13 = 0.78(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.1731e-01 1.I27 HG21 = 0.899(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.3281e-01 1.I27 HG22 = 0.899(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.3281e-01 1.I27 HG23 = 0.899(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.3281e-01 1.I27 HD11 = 0.778(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.3541e-01 1.I27 HD12 = 0.778(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.3541e-01 1.I27 HD13 = 0.778(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.3541e-01 1.I27 N = 119.041(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.7195e-01 1.S28 CA = 61.604(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.6355e-01 1.S28 CB = 62.712(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.6226e-01 1.S28 H = 8.504(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.0420e-01 1.S28 HA = 4.14(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.9533e-01 1.S28 HB2 = 3.938(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.1654e-01 1.S28 HB3 = 3.878(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.1740e-01 1.S28 N = 114.628(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.3884e-01 1.N29 CA = 57.235(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.9365e-02 1.N29 CB = 39.566(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.0422e-01 1.N29 H = 8.075(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.7402e-01 1.N29 HA = 4.341(D), Expected = 4.67, Std = 0.3600, ChiSquare = 3.6078e-01 1.N29 HB2 = 2.651(D), Expected = 2.81, Std = 0.3100, ChiSquare = 6.0802e-01 1.N29 HB3 = 2.253(D), Expected = 2.75, Std = 0.3300, ChiSquare = 1.3205e-01 1.N29 HD21 = 7.508(D), Expected = 7.35, Std = 0.4800, ChiSquare = 7.4203e-01 1.N29 HD22 = 7.508(D), Expected = 7.14, Std = 0.4900, ChiSquare = 4.5264e-01 1.N29 N = 119.63(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.6210e-01 1.N29 ND2 = 113.204(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.3868e-01 1.F30 CA = 63.077(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.1852e-02 1.F30 CB = 39.572(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.4148e-01 1.F30 CD1 = 131.67(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.3920e-01 1.F30 CE1 = 130.589(D), Expected = 130.71, Std = 1.3000, ChiSquare = 9.2584e-01 1.F30 CZ = 128.294(D), Expected = 129.21, Std = 1.4300, ChiSquare = 5.2181e-01 1.F30 H = 8.887(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.6420e-01 1.F30 HA = 3.642(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.3037e-02 1.F30 HB2 = 2.914(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.1620e-01 1.F30 HB3 = 2.629(D), Expected = 2.93, Std = 0.4000, ChiSquare = 4.5175e-01 1.F30 HD1 = 6.99(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.2135e-01 1.F30 HE1 = 7.1(D), Expected = 7.08, Std = 0.3100, ChiSquare = 9.4856e-01 1.F30 HZ = 6.937(D), Expected = 7.00, Std = 0.4200, ChiSquare = 8.8076e-01 1.F30 N = 120.321(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.7538e-01 1.H31 CA = 60.412(D), Expected = 56.52, Std = 2.3100, ChiSquare = 9.2018e-02 1.H31 CB = 28.602(D), Expected = 30.24, Std = 2.0700, ChiSquare = 4.2877e-01 1.H31 CD2 = 120.27(D), Expected = 120.49, Std = 3.4200, ChiSquare = 9.4871e-01 1.H31 H = 8.582(D), Expected = 8.24, Std = 0.6800, ChiSquare = 6.1501e-01 1.H31 HA = 3.767(D), Expected = 4.61, Std = 0.4300, ChiSquare = 4.9942e-02 1.H31 HB2 = 3.368(D), Expected = 3.10, Std = 0.3600, ChiSquare = 4.5661e-01 1.H31 HB3 = 3.28(D), Expected = 3.04, Std = 0.3800, ChiSquare = 5.2766e-01 1.H31 HD2 = 7.17(D), Expected = 7.00, Std = 0.4300, ChiSquare = 6.9259e-01 1.H31 N = 115.354(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.7836e-01 1.S32 CA = 61.77(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4063e-01 1.S32 CB = 62.792(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.9582e-01 1.S32 H = 7.84(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.5581e-01 1.S32 HA = 4.065(D), Expected = 4.48, Std = 0.4000, ChiSquare = 2.9950e-01 1.S32 HB2 = 3.954(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.6723e-01 1.S32 HB3 = 3.908(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.2991e-01 1.S32 N = 113.86(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.9177e-01 1.I33 CA = 64.784(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.3628e-01 1.I33 CB = 37.87(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.0674e-01 1.I33 CG1 = 28.588(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.0124e-01 1.I33 CG2 = 13.829(D), Expected = 17.53, Std = 1.3600, ChiSquare = 6.5021e-03 1.I33 CD1 = 17.884(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.6517e-03 1.I33 H = 7.87(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.4655e-01 1.I33 HA = 3.491(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.1856e-01 1.I33 HB = 1.369(D), Expected = 1.78, Std = 0.2900, ChiSquare = 1.5641e-01 1.I33 HG12 = 1.659(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.4338e-01 1.I33 HG13 = 0.857(D), Expected = 1.19, Std = 0.4100, ChiSquare = 4.1668e-01 1.I33 HG21 = 0.589(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.0262e-01 1.I33 HG22 = 0.589(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.0262e-01 1.I33 HG23 = 0.589(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.0262e-01 1.I33 HD11 = 0.607(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0125e-01 1.I33 HD12 = 0.607(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0125e-01 1.I33 HD13 = 0.607(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0125e-01 1.I33 N = 122.7(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.7203e-01 1.V34 CA = 66.928(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.2072e-01 1.V34 CB = 31.12(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.6842e-01 1.V34 CG1 = 23.631(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.1543e-01 1.V34 CG2 = 20.87(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.0259e-01 1.V34 H = 7.84(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.0181e-01 1.V34 HA = 3.335(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.4044e-01 1.V34 HB = 1.74(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.5325e-01 1.V34 HG11 = 0.386(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.7693e-02 1.V34 HG12 = 0.386(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.7693e-02 1.V34 HG13 = 0.386(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.7693e-02 1.V34 HG21 = 0.613(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.0422e-01 1.V34 HG22 = 0.613(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.0422e-01 1.V34 HG23 = 0.613(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.0422e-01 1.V34 N = 120.22(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3941e-01 1.Q35 CA = 57.71(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.9423e-01 1.Q35 CB = 28.493(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.0174e-01 1.Q35 CG = 33.982(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.4148e-01 1.Q35 H = 7.554(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.5898e-01 1.Q35 HA = 3.827(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.1402e-01 1.Q35 HB2 = 1.986(D), Expected = 2.05, Std = 0.2500, ChiSquare = 7.9795e-01 1.Q35 HB3 = 1.986(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.0335e-01 1.Q35 HG2 = 2.286(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.9979e-01 1.Q35 HG3 = 2.286(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.8900e-01 1.Q35 HE21 = 7.151(D), Expected = 7.24, Std = 0.4500, ChiSquare = 8.4322e-01 1.Q35 HE22 = 6.771(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.7146e-01 1.Q35 N = 112.011(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.8625e-02 1.Q35 NE2 = 111.248(D), Expected = 111.87, Std = 1.7200, ChiSquare = 7.1763e-01 1.S36 CA = 58.403(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.7829e-01 1.S36 CB = 64.55(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.1233e-01 1.S36 H = 7.197(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.6418e-02 1.S36 HA = 4.435(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.1043e-01 1.S36 HB2 = 3.947(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.8870e-01 1.S36 HB3 = 3.88(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.1153e-01 1.S36 N = 111.043(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.3681e-01 1.S37 CA = 55.203(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.9313e-02 1.S37 CB = 63.829(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.8437e-01 1.S37 H = 7.653(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.8791e-01 1.S37 HA = 4.829(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.8294e-01 1.S37 HB2 = 3.893(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.5853e-01 1.S37 HB3 = 3.735(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.7016e-01 1.S37 N = 117.942(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.3681e-01 1.K38 CA = 59.628(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.2350e-01 1.K38 CB = 32.001(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.5758e-01 1.K38 CG = 24.884(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.9576e-01 1.K38 CD = 29.106(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.9247e-01 1.K38 CE = 42.122(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.7723e-01 1.K38 H = 8.902(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.3536e-01 1.K38 HA = 3.957(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.7686e-01 1.K38 HB2 = 1.841(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.0723e-01 1.K38 HB3 = 1.8(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.2414e-01 1.K38 HG2 = 1.516(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.7443e-01 1.K38 HG3 = 1.43(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.7510e-01 1.K38 HD2 = 1.644(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.7718e-01 1.K38 HD3 = 1.705(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.3317e-01 1.K38 N = 129.773(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.0679e-02 1.T39 CA = 66.245(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.2017e-01 1.T39 CB = 68.413(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.1910e-01 1.T39 CG2 = 22.721(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.9145e-01 1.T39 H = 8.024(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.2755e-01 1.T39 HA = 3.871(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.1979e-01 1.T39 HB = 3.832(D), Expected = 4.17, Std = 0.3300, ChiSquare = 3.0572e-01 1.T39 HG21 = 1.121(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3416e-01 1.T39 HG22 = 1.121(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3416e-01 1.T39 HG23 = 1.121(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3416e-01 1.T39 N = 113.712(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.1916e-01 1.L40 CA = 57.521(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7213e-01 1.L40 CB = 42.161(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.3683e-01 1.L40 CG = 27.331(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.1643e-01 1.L40 CD1 = 25.943(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.4179e-01 1.L40 CD2 = 23.07(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.6430e-01 1.L40 H = 8.098(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.3907e-01 1.L40 HA = 4.06(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.8013e-01 1.L40 HB2 = 2.13(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.2616e-01 1.L40 HB3 = 1.42(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.8118e-01 1.L40 HG = 1.713(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.3845e-01 1.L40 HD11 = 0.852(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1564e-01 1.L40 HD12 = 0.852(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1564e-01 1.L40 HD13 = 0.852(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1564e-01 1.L40 HD21 = 0.76(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1761e-01 1.L40 HD22 = 0.76(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1761e-01 1.L40 HD23 = 0.76(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1761e-01 1.L40 N = 121.7(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.6728e-01 1.L41 CA = 58.67(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.5217e-01 1.L41 CB = 41.338(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.0514e-01 1.L41 CG = 25.709(D), Expected = 26.78, Std = 1.1000, ChiSquare = 3.3024e-01 1.L41 CD1 = 23.87(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.9293e-01 1.L41 CD2 = 25.37(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.3747e-01 1.L41 H = 8.678(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.9068e-01 1.L41 HA = 3.91(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.8302e-01 1.L41 HB2 = 1.802(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.7227e-01 1.L41 HB3 = 1.415(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.7054e-01 1.L41 HG = 1.97(D), Expected = 1.51, Std = 0.3300, ChiSquare = 1.6334e-01 1.L41 HD11 = 0.661(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5059e-01 1.L41 HD12 = 0.661(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5059e-01 1.L41 HD13 = 0.661(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5059e-01 1.L41 HD21 = 0.714(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.5600e-01 1.L41 HD22 = 0.714(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.5600e-01 1.L41 HD23 = 0.714(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.5600e-01 1.L41 N = 121.25(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.7571e-01 1.N42 CA = 56.177(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.6072e-01 1.N42 CB = 38.411(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.6887e-01 1.N42 H = 8.066(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.6362e-01 1.N42 HA = 4.417(D), Expected = 4.67, Std = 0.3600, ChiSquare = 4.8219e-01 1.N42 HB2 = 2.91(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.4701e-01 1.N42 HB3 = 2.799(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.8196e-01 1.N42 HD21 = 7.681(D), Expected = 7.35, Std = 0.4800, ChiSquare = 4.9046e-01 1.N42 HD22 = 6.84(D), Expected = 7.14, Std = 0.4900, ChiSquare = 5.4038e-01 1.N42 N = 116.479(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.4306e-01 1.N42 ND2 = 111.897(D), Expected = 112.75, Std = 2.2300, ChiSquare = 7.0208e-01 1.L43 CA = 58.101(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4410e-01 1.L43 CB = 41.389(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.2421e-01 1.L43 CG = 27.07(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.9206e-01 1.L43 CD1 = 25.97(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.3177e-01 1.L43 CD2 = 23.87(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.1568e-01 1.L43 H = 7.74(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.5094e-01 1.L43 HA = 4.018(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.2051e-01 1.L43 HB2 = 1.916(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.6812e-01 1.L43 HB3 = 1.468(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.8515e-01 1.L43 HG = 1.23(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.9617e-01 1.L43 HD11 = 0.59(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6771e-01 1.L43 HD12 = 0.59(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6771e-01 1.L43 HD13 = 0.59(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6771e-01 1.L43 HD21 = 0.79(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3609e-01 1.L43 HD22 = 0.79(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3609e-01 1.L43 HD23 = 0.79(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3609e-01 1.L43 N = 121.097(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4489e-01 1.F44 CA = 62.664(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.4479e-02 1.F44 CB = 38.27(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.1053e-01 1.F44 CD1 = 131.983(D), Expected = 131.58, Std = 1.1800, ChiSquare = 7.3271e-01 1.F44 CE1 = 130.57(D), Expected = 130.71, Std = 1.3000, ChiSquare = 9.1424e-01 1.F44 HA = 4.03(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.9251e-01 1.F44 HB2 = 2.75(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.9925e-01 1.F44 HB3 = 3.05(D), Expected = 2.93, Std = 0.4000, ChiSquare = 7.6418e-01 1.F44 HD1 = 7.213(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.2162e-01 1.F44 HE1 = 7.11(D), Expected = 7.08, Std = 0.3100, ChiSquare = 9.2291e-01 1.D45 CA = 56.961(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.6326e-01 1.D45 CB = 39.87(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.3298e-01 1.D45 H = 7.976(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.6471e-01 1.D45 HA = 4.505(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.9053e-01 1.D45 HB2 = 2.901(D), Expected = 2.72, Std = 0.2600, ChiSquare = 4.8633e-01 1.D45 HB3 = 2.756(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.3171e-01 1.D45 N = 120.803(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.6838e-01 1.V46 CA = 62.77(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.2201e-01 1.V46 CB = 34.17(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.2113e-01 1.V46 CG2 = 22.67(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.6608e-01 1.V46 H = 8.01(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.7601e-01 1.V46 HA = 4.04(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.9593e-01 1.V46 HB = 2.74(D), Expected = 1.98, Std = 0.3200, ChiSquare = 1.7549e-02 1.V46 HG21 = 0.96(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.6771e-01 1.V46 HG22 = 0.96(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.6771e-01 1.V46 HG23 = 0.96(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.6771e-01 1.V46 N = 115.095(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.8303e-01 1.A47 CA = 55.27(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.8204e-01 1.A47 CB = 18.17(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.4622e-01 1.A47 H = 7.56(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.8612e-01 1.A47 HA = 3.46(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.9037e-02 1.A47 HB1 = 0.535(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.7208e-03 1.A47 HB2 = 0.535(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.7208e-03 1.A47 HB3 = 0.535(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.7208e-03 1.A47 N = 122.21(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.7324e-01 1.E48 CA = 57.57(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.0479e-01 1.E48 CB = 29.57(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9809e-01 1.E48 CG = 35.57(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.4999e-01 1.E48 H = 7.185(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.2297e-02 1.E48 HA = 3.99(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.2599e-01 1.E48 HB2 = 2.06(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.4894e-01 1.E48 HB3 = 2.06(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.6086e-01 1.E48 HG2 = 2.39(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.6771e-01 1.E48 HG3 = 2.397(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.0402e-01 1.E48 N = 111.654(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.5752e-03 1.E49 CA = 57.23(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.6565e-01 1.E49 CB = 30.27(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7985e-01 1.E49 CG = 34.57(D), Expected = 36.11, Std = 1.1900, ChiSquare = 1.9562e-01 1.E49 H = 7.377(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.0626e-01 1.E49 HA = 4.24(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.8054e-01 1.E49 HB2 = 2.047(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.9770e-01 1.E49 HB3 = 2.047(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.0427e-01 1.E49 HG2 = 2.46(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.6559e-01 1.E49 HG3 = 2.36(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.1707e-01 1.E49 N = 116.318(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.1109e-01 1.N50 CA = 51.131(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.0006e-01 1.N50 CB = 38.67(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.9056e-01 1.N50 HA = 4.98(D), Expected = 4.67, Std = 0.3600, ChiSquare = 3.8918e-01 1.N50 HB2 = 3.012(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.1465e-01 1.N50 HB3 = 2.643(D), Expected = 2.75, Std = 0.3300, ChiSquare = 7.4575e-01 1.N50 HD21 = 7.644(D), Expected = 7.35, Std = 0.4800, ChiSquare = 5.4021e-01 1.N50 HD22 = 6.946(D), Expected = 7.14, Std = 0.4900, ChiSquare = 6.9216e-01 1.N50 ND2 = 113.34(D), Expected = 112.75, Std = 2.2300, ChiSquare = 7.9134e-01 1.P51 CA = 65.97(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.2415e-02 1.P51 CB = 32.862(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.9110e-01 1.P51 CG = 27.37(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.5442e-01 1.P51 CD = 50.179(D), Expected = 50.32, Std = 0.9900, ChiSquare = 8.8675e-01 1.P51 HA = 4.36(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.0352e-01 1.P51 HB2 = 1.902(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.1105e-01 1.P51 HB3 = 2.36(D), Expected = 2.00, Std = 0.3600, ChiSquare = 3.1731e-01 1.P51 HG2 = 2.06(D), Expected = 1.93, Std = 0.3100, ChiSquare = 6.7496e-01 1.P51 HG3 = 2.08(D), Expected = 1.90, Std = 0.3300, ChiSquare = 5.8544e-01 1.P51 HD2 = 3.776(D), Expected = 3.65, Std = 0.3500, ChiSquare = 7.1885e-01 1.P51 HD3 = 3.385(D), Expected = 3.61, Std = 0.3900, ChiSquare = 5.6399e-01 1.L52 CA = 58.11(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4240e-01 1.L52 CB = 41.036(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.9799e-01 1.L52 CG = 27.45(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.4246e-01 1.L52 CD1 = 24.246(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.6562e-01 1.L52 CD2 = 23.641(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.0987e-01 1.L52 H = 8.297(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.1790e-01 1.L52 HA = 4.088(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.2158e-01 1.L52 HB2 = 1.758(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.6335e-01 1.L52 HB3 = 1.603(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.1766e-01 1.L52 HG = 1.665(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.3857e-01 1.L52 HD11 = 0.919(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.4613e-01 1.L52 HD12 = 0.919(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.4613e-01 1.L52 HD13 = 0.919(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.4613e-01 1.L52 HD21 = 0.85(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.7903e-01 1.L52 HD22 = 0.85(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.7903e-01 1.L52 HD23 = 0.85(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.7903e-01 1.L52 N = 117.286(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.4087e-01 1.E53 CA = 58.707(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.0692e-01 1.E53 CB = 28.986(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.5161e-01 1.E53 CG = 34.901(D), Expected = 36.11, Std = 1.1900, ChiSquare = 3.0965e-01 1.E53 H = 7.461(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.4078e-01 1.E53 HA = 4.127(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.6418e-01 1.E53 HB2 = 2.027(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.7341e-01 1.E53 HB3 = 1.958(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.8935e-01 1.E53 HG2 = 2.313(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.3776e-01 1.E53 HG3 = 2.352(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.4291e-01 1.E53 N = 119.882(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.2086e-01 1.F54 CA = 61.845(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.4293e-01 1.F54 CB = 39.07(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.5980e-01 1.F54 CD1 = 131.67(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.3920e-01 1.F54 CE1 = 129.186(D), Expected = 130.71, Std = 1.3000, ChiSquare = 2.4107e-01 1.F54 H = 8.246(D), Expected = 8.36, Std = 0.7200, ChiSquare = 8.7419e-01 1.F54 HA = 4.076(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.3109e-01 1.F54 HB2 = 3.05(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.9251e-01 1.F54 HB3 = 3.22(D), Expected = 2.93, Std = 0.4000, ChiSquare = 4.6845e-01 1.F54 HD1 = 7.05(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.7427e-01 1.F54 HE1 = 7.036(D), Expected = 7.08, Std = 0.3100, ChiSquare = 8.8713e-01 1.F54 N = 120.27(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.6565e-01 1.A55 CA = 56.043(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.4260e-01 1.A55 CB = 18.271(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.8634e-01 1.A55 H = 8.58(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.2652e-01 1.A55 HA = 3.67(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.7995e-01 1.A55 HB1 = 1.395(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6259e-01 1.A55 HB2 = 1.395(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6259e-01 1.A55 HB3 = 1.395(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.6259e-01 1.A55 N = 121.343(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.9400e-01 1.K56 CA = 59.995(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.6633e-01 1.K56 CB = 32.362(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0998e-01 1.K56 CG = 25.403(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.4984e-01 1.K56 CD = 29.413(D), Expected = 28.96, Std = 1.0800, ChiSquare = 6.7489e-01 1.K56 CE = 42.12(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.7910e-01 1.K56 H = 7.801(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.1677e-01 1.K56 HA = 4.033(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.9014e-01 1.K56 HB2 = 2.034(D), Expected = 1.78, Std = 0.2500, ChiSquare = 3.0963e-01 1.K56 HB3 = 1.995(D), Expected = 1.74, Std = 0.2700, ChiSquare = 3.4494e-01 1.K56 HG2 = 1.67(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.4856e-01 1.K56 HG3 = 1.45(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.2098e-01 1.K56 HD2 = 1.637(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.0232e-01 1.K56 HD3 = 1.637(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.6644e-01 1.K56 HE2 = 2.9(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.1617e-01 1.K56 HE3 = 2.9(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.6012e-01 1.K56 N = 117.418(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.3535e-01 1.C57 CA = 63.106(D), Expected = 58.30, Std = 3.3300, ChiSquare = 1.4895e-01 1.C57 CB = 26.562(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.2396e-01 1.C57 H = 8.087(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.5110e-01 1.C57 HA = 4.142(D), Expected = 4.66, Std = 0.5500, ChiSquare = 3.4629e-01 1.C57 HB2 = 2.944(D), Expected = 2.96, Std = 0.4400, ChiSquare = 9.7099e-01 1.C57 HB3 = 2.647(D), Expected = 2.89, Std = 0.4600, ChiSquare = 5.9732e-01 1.C57 N = 118.08(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.5240e-01 1.M58 CA = 56.959(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.0341e-01 1.M58 CB = 32.933(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.7970e-01 1.M58 CG = 32.57(D), Expected = 32.01, Std = 1.2400, ChiSquare = 6.5155e-01 1.M58 H = 8.3(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.4685e-01 1.M58 HA = 4.09(D), Expected = 4.41, Std = 0.4800, ChiSquare = 5.0499e-01 1.M58 HB2 = 1.891(D), Expected = 2.03, Std = 0.3400, ChiSquare = 6.8267e-01 1.M58 HB3 = 1.53(D), Expected = 1.99, Std = 0.3400, ChiSquare = 1.7607e-01 1.M58 HG2 = 1.94(D), Expected = 2.42, Std = 0.3500, ChiSquare = 1.7024e-01 1.M58 HG3 = 2.24(D), Expected = 2.39, Std = 0.3800, ChiSquare = 6.9304e-01 1.M58 N = 117.9(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.3958e-01 1.Y59 CA = 62.47(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.3794e-02 1.Y59 CB = 38.57(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.2842e-01 1.Y59 CD1 = 133.069(D), Expected = 132.77, Std = 1.1700, ChiSquare = 7.9829e-01 1.Y59 CE1 = 118.213(D), Expected = 117.93, Std = 1.1900, ChiSquare = 8.1202e-01 1.Y59 HA = 3.82(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.4806e-01 1.Y59 HB2 = 3.3(D), Expected = 2.91, Std = 0.3700, ChiSquare = 2.9186e-01 1.Y59 HB3 = 2.96(D), Expected = 2.84, Std = 0.3900, ChiSquare = 7.5832e-01 1.Y59 HD1 = 6.799(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.6235e-01 1.Y59 HE1 = 6.647(D), Expected = 6.70, Std = 0.2300, ChiSquare = 8.1775e-01 1.E60 CA = 59.07(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.0241e-01 1.E60 CB = 29.347(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.9989e-01 1.E60 CG = 35.808(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.9966e-01 1.E60 H = 7.499(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.5899e-01 1.E60 HA = 3.74(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.1354e-01 1.E60 HB2 = 2.179(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.4896e-01 1.E60 HB3 = 2.079(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.9879e-01 1.E60 HG2 = 2.484(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.0818e-01 1.E60 HG3 = 2.446(D), Expected = 2.25, Std = 0.2200, ChiSquare = 3.7298e-01 1.E60 N = 115.8(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.6169e-01 1.L61 CA = 57.87(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.9081e-01 1.L61 CB = 41.287(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.8634e-01 1.L61 CG = 26.97(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.6287e-01 1.L61 CD1 = 25.47(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.3714e-01 1.L61 CD2 = 24.65(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.2413e-01 1.L61 H = 8.1(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.4148e-01 1.L61 HA = 3.653(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.5586e-01 1.L61 HB2 = 1.52(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.9124e-01 1.L61 HB3 = 1.06(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.0133e-01 1.L61 HG = 1.375(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.8247e-01 1.L61 HD11 = 0.597(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.8477e-01 1.L61 HD12 = 0.597(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.8477e-01 1.L61 HD13 = 0.597(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.8477e-01 1.L61 HD21 = 0.588(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.2438e-01 1.L61 HD22 = 0.588(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.2438e-01 1.L61 HD23 = 0.588(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.2438e-01 1.L61 N = 120.4(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.0814e-01 1.V62 CA = 66.98(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1643e-01 1.V62 CB = 31.154(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.7862e-01 1.V62 CG1 = 22.458(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.7661e-01 1.V62 CG2 = 24.17(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.2128e-02 1.V62 H = 8.568(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.7820e-01 1.V62 HA = 3.387(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.6621e-01 1.V62 HB = 1.908(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.2198e-01 1.V62 HG11 = 0.69(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.9026e-01 1.V62 HG12 = 0.69(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.9026e-01 1.V62 HG13 = 0.69(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.9026e-01 1.V62 HG21 = 1.054(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.6433e-01 1.V62 HG22 = 1.054(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.6433e-01 1.V62 HG23 = 1.054(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.6433e-01 1.V62 N = 121.037(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.8190e-01 1.L63 CA = 58.421(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.8850e-01 1.L63 CB = 41.614(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.1122e-01 1.L63 CG = 26.035(D), Expected = 26.78, Std = 1.1000, ChiSquare = 4.9823e-01 1.L63 CD1 = 24.23(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.5795e-01 1.L63 CD2 = 23.97(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.6247e-01 1.L63 H = 7.728(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.3993e-01 1.L63 HA = 3.538(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.6146e-02 1.L63 HB2 = 1.34(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.2713e-01 1.L63 HB3 = 1.29(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.2290e-01 1.L63 HG = 1.207(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.5852e-01 1.L63 HD11 = 0.37(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7474e-01 1.L63 HD12 = 0.37(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7474e-01 1.L63 HD13 = 0.37(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.7474e-01 1.L63 HD21 = 0.39(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.4103e-01 1.L63 HD22 = 0.39(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.4103e-01 1.L63 HD23 = 0.39(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.4103e-01 1.L63 N = 119.225(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.9927e-01 1.K64 CA = 58.707(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.2450e-01 1.K64 CB = 32.626(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.2659e-01 1.K64 CG = 25.17(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.0430e-01 1.K64 CD = 29.17(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.4583e-01 1.K64 CE = 42.07(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.2625e-01 1.K64 H = 7.556(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.9066e-01 1.K64 HA = 4.011(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.5611e-01 1.K64 HB2 = 1.779(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.9681e-01 1.K64 HB3 = 1.72(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.4095e-01 1.K64 HG2 = 1.47(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.0052e-01 1.K64 HG3 = 1.42(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.0259e-01 1.K64 HD2 = 1.579(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.8794e-01 1.K64 HD3 = 1.498(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.4291e-01 1.K64 HE2 = 2.889(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.7039e-01 1.K64 HE3 = 2.889(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.1638e-01 1.K64 N = 116.523(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.2983e-01 1.S65 CA = 60.969(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.7727e-01 1.S65 CB = 64.18(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.9737e-01 1.S65 H = 8.366(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.8411e-01 1.S65 HA = 4.424(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.8866e-01 1.S65 HB2 = 3.891(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.6490e-01 1.S65 HB3 = 3.857(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.7932e-01 1.S65 N = 115.278(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.7591e-01 1.A66 CA = 55.606(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.1296e-01 1.A66 CB = 17.74(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.8769e-01 1.A66 H = 8.771(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.4127e-01 1.A66 HA = 3.872(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.7788e-01 1.A66 HB1 = 1.282(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9368e-01 1.A66 HB2 = 1.282(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9368e-01 1.A66 HB3 = 1.282(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.9368e-01 1.A66 N = 123.689(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.9683e-01 1.N67 CA = 56.795(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.3384e-02 1.N67 CB = 38.725(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.8348e-01 1.N67 H = 8.367(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.6582e-01 1.N67 HA = 4.463(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.6529e-01 1.N67 HB2 = 2.795(D), Expected = 2.81, Std = 0.3100, ChiSquare = 9.6141e-01 1.N67 HB3 = 2.754(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.9033e-01 1.N67 HD21 = 7.597(D), Expected = 7.35, Std = 0.4800, ChiSquare = 6.0684e-01 1.N67 HD22 = 6.884(D), Expected = 7.14, Std = 0.4900, ChiSquare = 6.0136e-01 1.N67 N = 116.074(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.7852e-01 1.N67 ND2 = 112.766(D), Expected = 112.75, Std = 2.2300, ChiSquare = 9.9428e-01 1.S68 CA = 60.942(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.8308e-01 1.S68 CB = 63.045(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.0996e-01 1.S68 H = 8.087(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.4358e-01 1.S68 HA = 4.239(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.4684e-01 1.S68 HB2 = 4.022(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.7003e-01 1.S68 HB3 = 3.98(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.3017e-01 1.S68 N = 116.02(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.4112e-01 1.L69 CA = 55.079(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.9950e-01 1.L69 CB = 43.083(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.8095e-01 1.L69 CG = 26.67(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.2034e-01 1.L69 CD1 = 26.07(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.9585e-01 1.L69 CD2 = 23.37(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.8916e-01 1.L69 H = 7.567(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.0773e-01 1.L69 HA = 4.239(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.6317e-01 1.L69 HB2 = 1.763(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.5271e-01 1.L69 HB3 = 1.527(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.8449e-01 1.L69 HG = 1.79(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.9617e-01 1.L69 HD11 = 0.78(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.1468e-01 1.L69 HD12 = 0.78(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.1468e-01 1.L69 HD13 = 0.78(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.1468e-01 1.L69 HD21 = 0.82(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5630e-01 1.L69 HD22 = 0.82(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5630e-01 1.L69 HD23 = 0.82(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5630e-01 1.L69 N = 119.547(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.5313e-01 1.G70 CA = 45.316(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7976e-01 1.G70 H = 7.583(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.5046e-01 1.G70 HA2 = 3.657(D), Expected = 3.97, Std = 0.3700, ChiSquare = 3.9758e-01 1.G70 HA3 = 4.051(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.8319e-01 1.G70 N = 104.806(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.0881e-01 1.V71 CA = 62.055(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.7911e-01 1.V71 CB = 31.906(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.4528e-01 1.V71 CG1 = 21.52(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.8240e-01 1.V71 CG2 = 21.27(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.9489e-01 1.V71 H = 7.174(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.5779e-02 1.V71 HA = 3.793(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.9367e-01 1.V71 HB = 1.76(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.9177e-01 1.V71 HG11 = 0.66(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.1321e-01 1.V71 HG12 = 0.66(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.1321e-01 1.V71 HG13 = 0.66(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.1321e-01 1.V71 HG21 = 0.68(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.6823e-01 1.V71 HG22 = 0.68(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.6823e-01 1.V71 HG23 = 0.68(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.6823e-01 1.V71 N = 117.729(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.5246e-01 1.L72 CA = 56.77(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.8926e-01 1.L72 CB = 41.97(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.5648e-01 1.L72 CG = 27.16(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.2975e-01 1.L72 CD1 = 24.57(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.2484e-01 1.L72 CD2 = 23.43(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.1533e-01 1.L72 H = 8.959(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.6206e-01 1.L72 HA = 4.1(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.3972e-01 1.L72 HB2 = 1.67(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.5992e-01 1.L72 HB3 = 1.519(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.9778e-01 1.L72 HG = 1.65(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.7139e-01 1.L72 N = 127.271(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.6531e-01 1.N73 CA = 50.012(D), Expected = 53.54, Std = 1.8800, ChiSquare = 6.0574e-02 1.N73 CB = 38.286(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.1106e-01 1.N73 H = 8.28(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.2413e-01 1.N73 HA = 5.121(D), Expected = 4.67, Std = 0.3600, ChiSquare = 2.1029e-01 1.N73 HB2 = 2.989(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.6366e-01 1.N73 HB3 = 2.571(D), Expected = 2.75, Std = 0.3300, ChiSquare = 5.8753e-01 1.N73 HD21 = 6.965(D), Expected = 7.35, Std = 0.4800, ChiSquare = 4.2251e-01 1.N73 HD22 = 7.804(D), Expected = 7.14, Std = 0.4900, ChiSquare = 1.7538e-01 1.N73 N = 114.774(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.0242e-01 1.N73 ND2 = 112.85(D), Expected = 112.75, Std = 2.2300, ChiSquare = 9.6423e-01 1.P74 CA = 65.024(D), Expected = 63.33, Std = 1.5200, ChiSquare = 2.6508e-01 1.P74 CB = 32.97(D), Expected = 31.85, Std = 1.1800, ChiSquare = 3.4254e-01 1.P74 CG = 27.27(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.2690e-01 1.P74 CD = 50.57(D), Expected = 50.32, Std = 0.9900, ChiSquare = 8.0064e-01 1.P74 HA = 3.823(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.0380e-02 1.P74 HB2 = 1.859(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.2776e-01 1.P74 HB3 = 1.996(D), Expected = 2.00, Std = 0.3600, ChiSquare = 9.9113e-01 1.P74 HG2 = 1.957(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.3059e-01 1.P74 HG3 = 1.766(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.8470e-01 1.P74 HD2 = 3.558(D), Expected = 3.65, Std = 0.3500, ChiSquare = 7.9266e-01 1.P74 HD3 = 3.804(D), Expected = 3.61, Std = 0.3900, ChiSquare = 6.1888e-01 1.H75 CA = 60.147(D), Expected = 56.52, Std = 2.3100, ChiSquare = 1.1638e-01 1.H75 CB = 28.008(D), Expected = 30.24, Std = 2.0700, ChiSquare = 2.8092e-01 1.H75 CD2 = 119.77(D), Expected = 120.49, Std = 3.4200, ChiSquare = 8.3326e-01 1.H75 H = 8.137(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.7960e-01 1.H75 HA = 3.873(D), Expected = 4.61, Std = 0.4300, ChiSquare = 8.6537e-02 1.H75 HB2 = 3.16(D), Expected = 3.10, Std = 0.3600, ChiSquare = 8.6763e-01 1.H75 HB3 = 3.19(D), Expected = 3.04, Std = 0.3800, ChiSquare = 6.9304e-01 1.H75 HD2 = 7.29(D), Expected = 7.00, Std = 0.4300, ChiSquare = 5.0005e-01 1.H75 N = 113.989(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.5408e-01 1.L76 CA = 58.104(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.4353e-01 1.L76 CB = 41.602(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.0647e-01 1.L76 CG = 26.97(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.6287e-01 1.L76 CD1 = 24.37(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.2577e-01 1.L76 CD2 = 24.37(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.5069e-01 1.L76 H = 7.258(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3481e-01 1.L76 HA = 4.03(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.3722e-01 1.L76 HB2 = 1.66(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.8309e-01 1.L76 HB3 = 1.6(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.2414e-01 1.L76 HG = 1.45(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.5573e-01 1.L76 HD11 = 0.814(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.1920e-01 1.L76 HD12 = 0.814(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.1920e-01 1.L76 HD13 = 0.814(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.1920e-01 1.L76 HD21 = 0.885(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.9301e-01 1.L76 HD22 = 0.885(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.9301e-01 1.L76 HD23 = 0.885(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.9301e-01 1.L76 N = 120.279(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.8519e-01 1.I77 CA = 63.68(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.3988e-01 1.I77 CB = 37.228(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.8765e-01 1.I77 CG1 = 28.425(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.7040e-01 1.I77 CG2 = 13.538(D), Expected = 17.53, Std = 1.3600, ChiSquare = 3.3323e-03 1.I77 CD1 = 17.23(D), Expected = 13.43, Std = 1.6700, ChiSquare = 2.2879e-02 1.I77 H = 7.027(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.5381e-02 1.I77 HA = 3.82(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.2032e-01 1.I77 HB = 1.687(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.4845e-01 1.I77 HG12 = 1.422(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.2259e-01 1.I77 HG13 = 1.1(D), Expected = 1.19, Std = 0.4100, ChiSquare = 8.2625e-01 1.I77 HG21 = 0.689(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6418e-01 1.I77 HG22 = 0.689(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6418e-01 1.I77 HG23 = 0.689(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6418e-01 1.I77 HD11 = 0.8(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.7903e-01 1.I77 HD12 = 0.8(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.7903e-01 1.I77 HD13 = 0.8(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.7903e-01 1.I77 N = 116.594(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.5557e-01 1.A78 CA = 56.065(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.3960e-01 1.A78 CB = 18.405(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.4095e-01 1.A78 H = 7.81(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.1569e-01 1.A78 HA = 3.692(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.9673e-01 1.A78 HB1 = 0.846(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2567e-02 1.A78 HB2 = 0.846(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2567e-02 1.A78 HB3 = 0.846(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2567e-02 1.A78 N = 123.121(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.7544e-01 1.N79 CA = 56.705(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.2276e-02 1.N79 CB = 38.674(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.9245e-01 1.N79 H = 8.318(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.7214e-01 1.N79 HA = 4.557(D), Expected = 4.67, Std = 0.3600, ChiSquare = 7.5361e-01 1.N79 HB2 = 2.907(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.5435e-01 1.N79 HB3 = 2.802(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.7479e-01 1.N79 HD21 = 7.63(D), Expected = 7.35, Std = 0.4800, ChiSquare = 5.5967e-01 1.N79 HD22 = 6.945(D), Expected = 7.14, Std = 0.4900, ChiSquare = 6.9066e-01 1.N79 N = 116.079(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.7929e-01 1.N79 ND2 = 112.562(D), Expected = 112.75, Std = 2.2300, ChiSquare = 9.3281e-01 1.N80 CA = 56.162(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.6311e-01 1.N80 CB = 37.817(D), Expected = 38.69, Std = 1.6900, ChiSquare = 6.0546e-01 1.N80 H = 8.166(D), Expected = 8.34, Std = 0.6300, ChiSquare = 7.8240e-01 1.N80 HA = 4.425(D), Expected = 4.67, Std = 0.3600, ChiSquare = 4.9615e-01 1.N80 HB2 = 2.966(D), Expected = 2.81, Std = 0.3100, ChiSquare = 6.1481e-01 1.N80 HB3 = 2.679(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.2965e-01 1.N80 HD21 = 7.434(D), Expected = 7.35, Std = 0.4800, ChiSquare = 8.6108e-01 1.N80 HD22 = 6.663(D), Expected = 7.14, Std = 0.4900, ChiSquare = 3.3032e-01 1.N80 N = 119.005(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.8515e-01 1.N80 ND2 = 109.833(D), Expected = 112.75, Std = 2.2300, ChiSquare = 1.9085e-01 1.I81 CA = 65.275(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.7146e-01 1.I81 CB = 37.114(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.5296e-01 1.I81 CG1 = 29.711(D), Expected = 27.71, Std = 1.6800, ChiSquare = 2.3363e-01 1.I81 CG2 = 13.37(D), Expected = 17.53, Std = 1.3600, ChiSquare = 2.2221e-03 1.I81 CD1 = 17.066(D), Expected = 13.43, Std = 1.6700, ChiSquare = 2.9462e-02 1.I81 H = 8.308(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.6716e-01 1.I81 HA = 3.592(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.9372e-01 1.I81 HB = 1.867(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.6418e-01 1.I81 HG12 = 1.565(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.7616e-01 1.I81 HG13 = 1.012(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.6418e-01 1.I81 HG21 = 0.59(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.0499e-01 1.I81 HG22 = 0.59(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.0499e-01 1.I81 HG23 = 0.59(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.0499e-01 1.I81 HD11 = 0.79(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.0446e-01 1.I81 HD12 = 0.79(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.0446e-01 1.I81 HD13 = 0.79(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.0446e-01 1.I81 N = 121.527(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.8751e-01 1.Y82 CA = 62.862(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.9395e-02 1.Y82 CB = 39.455(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.5016e-01 1.Y82 CD1 = 133.082(D), Expected = 132.77, Std = 1.1700, ChiSquare = 7.8973e-01 1.Y82 CE1 = 118.281(D), Expected = 117.93, Std = 1.1900, ChiSquare = 7.6803e-01 1.Y82 H = 8.435(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.7482e-01 1.Y82 HA = 3.89(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.8636e-01 1.Y82 HB2 = 3.164(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.9241e-01 1.Y82 HB3 = 3.36(D), Expected = 2.84, Std = 0.3900, ChiSquare = 1.8242e-01 1.Y82 HD1 = 6.954(D), Expected = 6.93, Std = 0.3000, ChiSquare = 9.3624e-01 1.Y82 HE1 = 6.54(D), Expected = 6.70, Std = 0.2300, ChiSquare = 4.8665e-01 1.Y82 N = 120.757(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.5500e-01 1.Q83 CA = 58.237(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.3600e-01 1.Q83 CB = 28.136(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.6251e-01 1.Q83 CG = 33.603(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.8752e-01 1.Q83 H = 8.702(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.1396e-01 1.Q83 HA = 3.87(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.6330e-01 1.Q83 HB2 = 2.152(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.8327e-01 1.Q83 HB3 = 2.076(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.4148e-01 1.Q83 HG2 = 2.597(D), Expected = 2.32, Std = 0.2700, ChiSquare = 3.0493e-01 1.Q83 HG3 = 2.542(D), Expected = 2.29, Std = 0.2900, ChiSquare = 3.8487e-01 1.Q83 HE21 = 7.451(D), Expected = 7.24, Std = 0.4500, ChiSquare = 6.3915e-01 1.Q83 HE22 = 6.819(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.4780e-01 1.Q83 N = 115.306(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.0290e-01 1.Q83 NE2 = 111.148(D), Expected = 111.87, Std = 1.7200, ChiSquare = 6.7466e-01 1.S84 CA = 62.47(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.0049e-02 1.S84 CB = 63.068(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.2089e-01 1.S84 H = 7.894(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.1296e-01 1.S84 HA = 4.084(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.2217e-01 1.S84 HB2 = 3.813(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.8870e-01 1.S84 HB3 = 4.01(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.5345e-01 1.S84 N = 115.703(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6979e-01 1.V85 CA = 66.565(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.5421e-01 1.V85 CB = 31.722(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.7335e-01 1.V85 CG1 = 22.17(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.1707e-01 1.V85 CG2 = 22.42(D), Expected = 21.26, Std = 1.5600, ChiSquare = 4.5712e-01 1.V85 H = 7.91(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.7060e-01 1.V85 HA = 3.62(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.2573e-01 1.V85 HB = 2.1(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.0766e-01 1.V85 HG11 = 0.95(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4441e-01 1.V85 HG12 = 0.95(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4441e-01 1.V85 HG13 = 0.95(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4441e-01 1.V85 HG21 = 1.04(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9137e-01 1.V85 HG22 = 1.04(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9137e-01 1.V85 HG23 = 1.04(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9137e-01 1.V85 N = 120.21(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3769e-01 1.V86 CA = 65.53(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.8781e-01 1.V86 CB = 31.17(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.8348e-01 1.V86 CG1 = 21.17(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.1398e-01 1.V86 CG2 = 20.87(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.0259e-01 1.V86 H = 7.997(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.6188e-01 1.V86 HA = 3.614(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.2066e-01 1.V86 HB = 1.86(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.0766e-01 1.V86 HG11 = 0.585(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.4604e-01 1.V86 HG12 = 0.585(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.4604e-01 1.V86 HG13 = 0.585(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.4604e-01 1.V86 HG21 = 0.585(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.4257e-01 1.V86 HG22 = 0.585(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.4257e-01 1.V86 HG23 = 0.585(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.4257e-01 1.V86 N = 113.714(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.0191e-01 1.S87 CA = 60.345(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.3244e-01 1.S87 CB = 63.618(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.0213e-01 1.S87 H = 7.805(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.2077e-01 1.S87 HA = 4.294(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.4193e-01 1.S87 HB2 = 3.934(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.2899e-01 1.S87 HB3 = 3.882(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.0566e-01 1.S87 N = 113.807(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.8233e-01 1.N88 CA = 53.504(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.8472e-01 1.N88 CB = 40.676(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.3994e-01 1.N88 H = 7.465(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.6487e-01 1.N88 HA = 4.881(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.5780e-01 1.N88 HB2 = 2.837(D), Expected = 2.81, Std = 0.3100, ChiSquare = 9.3059e-01 1.N88 HB3 = 2.545(D), Expected = 2.75, Std = 0.3300, ChiSquare = 5.3446e-01 1.N88 HD21 = 7.904(D), Expected = 7.35, Std = 0.4800, ChiSquare = 2.4843e-01 1.N88 HD22 = 6.891(D), Expected = 7.14, Std = 0.4900, ChiSquare = 6.1134e-01 1.N88 N = 119.139(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.5864e-01 1.N88 ND2 = 115.267(D), Expected = 112.75, Std = 2.2300, ChiSquare = 2.5902e-01 1.L89 CA = 57.376(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.0971e-01 1.L89 CB = 41.891(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.2363e-01 1.L89 CG = 26.294(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.5862e-01 1.L89 CD1 = 25.37(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.8268e-01 1.L89 CD2 = 24.019(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.8545e-01 1.L89 H = 7.66(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.8053e-01 1.L89 HA = 4.008(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.0680e-01 1.L89 HB2 = 1.749(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.8267e-01 1.L89 HB3 = 1.528(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.8227e-01 1.L89 HG = 1.9(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.3728e-01 1.L89 HD11 = 0.85(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.2098e-01 1.L89 HD12 = 0.85(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.2098e-01 1.L89 HD13 = 0.85(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.2098e-01 1.L89 HD21 = 0.812(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.7736e-01 1.L89 HD22 = 0.812(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.7736e-01 1.L89 HD23 = 0.812(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.7736e-01 1.L89 N = 120.812(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8815e-01 1.D90 CA = 55.163(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.1576e-01 1.D90 CB = 40.467(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.9877e-01 1.D90 H = 8.42(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.4958e-01 1.D90 HA = 4.492(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.5941e-01 1.D90 HB2 = 2.74(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.3868e-01 1.D90 HB3 = 2.629(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.1184e-01 1.D90 N = 116.745(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.1170e-01 1.I91 CA = 61.63(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.9405e-01 1.I91 CB = 38.729(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.6091e-01 1.I91 CG1 = 27.433(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.6904e-01 1.I91 CG2 = 13.78(D), Expected = 17.53, Std = 1.3600, ChiSquare = 5.8271e-03 1.I91 CD1 = 17.822(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.5400e-03 1.I91 H = 7.671(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.7047e-01 1.I91 HA = 4.179(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.9858e-01 1.I91 HB = 1.958(D), Expected = 1.78, Std = 0.2900, ChiSquare = 5.3935e-01 1.I91 HG12 = 1.11(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.7084e-01 1.I91 HG13 = 1.365(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.6950e-01 1.I91 HG21 = 0.816(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6472e-01 1.I91 HG22 = 0.816(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6472e-01 1.I91 HG23 = 0.816(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6472e-01 1.I91 HD11 = 0.799(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.8155e-01 1.I91 HD12 = 0.799(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.8155e-01 1.I91 HD13 = 0.799(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.8155e-01 1.I91 N = 116.435(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.4037e-01 1.L92 CA = 55.386(D), Expected = 55.62, Std = 2.1300, ChiSquare = 9.1252e-01 1.L92 CB = 42.101(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1148e-01 1.L92 CG = 26.88(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.2757e-01 1.L92 CD1 = 25.67(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.5018e-01 1.L92 CD2 = 23.499(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.4585e-01 1.L92 H = 7.656(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.7719e-01 1.L92 HA = 4.22(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.3151e-01 1.L92 HB2 = 1.644(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.2034e-01 1.L92 HB3 = 1.353(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.4273e-01 1.L92 HG = 1.64(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.9363e-01 1.L92 HD11 = 0.88(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4244e-01 1.L92 HD12 = 0.88(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4244e-01 1.L92 HD13 = 0.88(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.4244e-01 1.L92 HD21 = 0.799(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1193e-01 1.L92 HD22 = 0.799(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1193e-01 1.L92 HD23 = 0.799(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1193e-01 1.L92 N = 121.51(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.2849e-01 1.H93 CA = 55.07(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.3020e-01 1.H93 CB = 29.57(D), Expected = 30.24, Std = 2.0700, ChiSquare = 7.4619e-01 1.H93 CD2 = 120.039(D), Expected = 120.49, Std = 3.4200, ChiSquare = 8.9509e-01 1.H93 H = 7.865(D), Expected = 8.24, Std = 0.6800, ChiSquare = 5.8131e-01 1.H93 HA = 4.776(D), Expected = 4.61, Std = 0.4300, ChiSquare = 6.9946e-01 1.H93 HB2 = 3.132(D), Expected = 3.10, Std = 0.3600, ChiSquare = 9.2917e-01 1.H93 HB3 = 3.391(D), Expected = 3.04, Std = 0.3800, ChiSquare = 3.5565e-01 1.H93 HD2 = 7.252(D), Expected = 7.00, Std = 0.4300, ChiSquare = 5.5784e-01 1.H93 N = 116.3(D), Expected = 119.69, Std = 4.0000, ChiSquare = 3.9672e-01 1.S94 CA = 60.862(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.0077e-01 1.S94 CB = 62.841(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.1700e-01 1.S94 HA = 4.109(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.5367e-01 1.S94 HB2 = 3.844(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.8550e-01 1.S95 CA = 60.144(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.9150e-01 1.S95 CB = 63.26(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.1521e-01 1.S95 H = 8.453(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.6935e-01 1.S95 HA = 4.183(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.5778e-01 1.S95 HB2 = 3.883(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.9043e-01 1.S95 HB3 = 3.824(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.2329e-01 1.S95 N = 115.961(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.2779e-01 1.A96 CA = 53.47(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.6763e-01 1.A96 CB = 19.363(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.4704e-01 1.A96 H = 7.739(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4229e-01 1.A96 HA = 4.366(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.0963e-01 1.A96 HB1 = 1.53(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8874e-01 1.A96 HB2 = 1.53(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8874e-01 1.A96 HB3 = 1.53(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.8874e-01 1.A96 N = 123.739(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.8567e-01 1.M97 CA = 57.578(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.1035e-01 1.M97 CB = 33.051(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.7827e-01 1.M97 CG = 32.67(D), Expected = 32.01, Std = 1.2400, ChiSquare = 5.9455e-01 1.M97 CE = 18.611(D), Expected = 17.07, Std = 1.5800, ChiSquare = 3.2940e-01 1.M97 HA = 4.434(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.6012e-01 1.M97 HB2 = 2.508(D), Expected = 2.03, Std = 0.3400, ChiSquare = 1.5976e-01 1.M97 HB3 = 2.508(D), Expected = 1.99, Std = 0.3400, ChiSquare = 1.2763e-01 1.M97 HG2 = 1.88(D), Expected = 2.42, Std = 0.3500, ChiSquare = 1.2287e-01 1.M97 HG3 = 2.35(D), Expected = 2.39, Std = 0.3800, ChiSquare = 9.1617e-01 1.M97 HE1 = 2.037(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.4930e-01 1.M97 HE2 = 2.037(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.4930e-01 1.M97 HE3 = 2.037(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.4930e-01 1.V98 CA = 65.97(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.2369e-01 1.V98 CB = 30.97(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.2549e-01 1.V98 CG1 = 20.649(D), Expected = 21.49, Std = 1.3600, ChiSquare = 5.3632e-01 1.V98 CG2 = 21.47(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.9292e-01 1.V98 H = 7.905(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.6554e-01 1.V98 HA = 3.08(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.5647e-02 1.V98 HB = 1.704(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.8841e-01 1.V98 HG11 = 0.602(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.8053e-01 1.V98 HG12 = 0.602(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.8053e-01 1.V98 HG13 = 0.602(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.8053e-01 1.V98 HG21 = 0.18(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.6809e-02 1.V98 HG22 = 0.18(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.6809e-02 1.V98 HG23 = 0.18(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.6809e-02 1.V98 N = 119.5(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.1792e-01 1.N99 CA = 55.99(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.9251e-01 1.N99 CB = 38.34(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.3593e-01 1.N99 H = 7.19(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.7941e-02 1.N99 HA = 4.46(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.5967e-01 1.N99 HB2 = 2.8(D), Expected = 2.81, Std = 0.3100, ChiSquare = 9.7427e-01 1.N99 HB3 = 2.73(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.5167e-01 1.N99 N = 116.868(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.0889e-01 1.L100 CA = 58.67(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.5217e-01 1.L100 CB = 42.17(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.4064e-01 1.L100 CG = 27.27(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.5599e-01 1.L100 CD1 = 25.17(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.7716e-01 1.L100 CD2 = 24.87(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.2956e-01 1.L100 H = 8.15(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.0205e-01 1.L100 HA = 4.037(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.4709e-01 1.L100 HB2 = 1.83(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.1759e-01 1.L100 HB3 = 1.79(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.5325e-01 1.L100 HG = 1.64(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.9363e-01 1.L100 HD11 = 0.87(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6823e-01 1.L100 HD12 = 0.87(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6823e-01 1.L100 HD13 = 0.87(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6823e-01 1.L100 HD21 = 0.89(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.8114e-01 1.L100 HD22 = 0.89(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.8114e-01 1.L100 HD23 = 0.89(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.8114e-01 1.L100 N = 122(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.7136e-01 1.Y101 CA = 62.57(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.6907e-02 1.Y101 CB = 39(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.8223e-01 1.Y101 CD1 = 132.129(D), Expected = 132.77, Std = 1.1700, ChiSquare = 5.8379e-01 1.Y101 CE1 = 118.467(D), Expected = 117.93, Std = 1.1900, ChiSquare = 6.5180e-01 1.Y101 H = 8.485(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.2118e-01 1.Y101 HA = 3.77(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.2461e-01 1.Y101 HB2 = 3.17(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.8224e-01 1.Y101 HB3 = 3.11(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.8874e-01 1.Y101 HD1 = 6.64(D), Expected = 6.93, Std = 0.3000, ChiSquare = 3.3371e-01 1.Y101 HE1 = 6.34(D), Expected = 6.70, Std = 0.2300, ChiSquare = 1.1753e-01 1.Y101 N = 119.175(D), Expected = 120.52, Std = 4.2000, ChiSquare = 7.4879e-01 1.A102 CA = 55.5(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.3329e-01 1.A102 CB = 19.419(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.2315e-01 1.A102 H = 8.34(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.1550e-01 1.A102 HA = 3.39(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.8011e-02 1.A102 HB1 = 1.505(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.5107e-01 1.A102 HB2 = 1.505(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.5107e-01 1.A102 HB3 = 1.505(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.5107e-01 1.A102 N = 119.146(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.4863e-01 1.N103 CA = 56.631(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.0015e-01 1.N103 CB = 39.298(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.1902e-01 1.N103 H = 8.468(D), Expected = 8.34, Std = 0.6300, ChiSquare = 8.3900e-01 1.N103 HA = 4.081(D), Expected = 4.67, Std = 0.3600, ChiSquare = 1.0182e-01 1.N103 HB2 = 2.732(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.0134e-01 1.N103 HB3 = 2.588(D), Expected = 2.75, Std = 0.3300, ChiSquare = 6.2349e-01 1.N103 HD21 = 7.348(D), Expected = 7.35, Std = 0.4800, ChiSquare = 9.9668e-01 1.N103 HD22 = 6.72(D), Expected = 7.14, Std = 0.4900, ChiSquare = 3.9137e-01 1.N103 N = 115.114(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.4369e-01 1.N103 ND2 = 111.165(D), Expected = 112.75, Std = 2.2300, ChiSquare = 4.7723e-01 1.A104 CA = 55.058(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3270e-01 1.A104 CB = 18.543(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.9858e-01 1.A104 H = 7.944(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.6962e-01 1.A104 HA = 3.933(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.5737e-01 1.A104 HB1 = 1.264(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.4082e-01 1.A104 HB2 = 1.264(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.4082e-01 1.A104 HB3 = 1.264(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.4082e-01 1.A104 N = 122.177(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.6612e-01 1.M105 CA = 57.182(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.3072e-01 1.M105 CB = 32.661(D), Expected = 32.99, Std = 2.2400, ChiSquare = 8.8323e-01 1.M105 CG = 30.966(D), Expected = 32.01, Std = 1.2400, ChiSquare = 3.9982e-01 1.M105 CE = 17.106(D), Expected = 17.07, Std = 1.5800, ChiSquare = 9.8182e-01 1.M105 H = 8.28(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.7341e-01 1.M105 HA = 3.986(D), Expected = 4.41, Std = 0.4800, ChiSquare = 3.7706e-01 1.M105 HB2 = 2.244(D), Expected = 2.03, Std = 0.3400, ChiSquare = 5.2908e-01 1.M105 HB3 = 1.926(D), Expected = 1.99, Std = 0.3400, ChiSquare = 8.5069e-01 1.M105 HG2 = 1.46(D), Expected = 2.42, Std = 0.3500, ChiSquare = 6.0907e-03 1.M105 HG3 = 1.41(D), Expected = 2.39, Std = 0.3800, ChiSquare = 9.9102e-03 1.M105 HE1 = 1.823(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.8420e-01 1.M105 HE2 = 1.823(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.8420e-01 1.M105 HE3 = 1.823(D), Expected = 1.89, Std = 0.4600, ChiSquare = 8.8420e-01 1.M105 N = 118.515(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.5909e-01 1.A106 CA = 54.946(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.6171e-01 1.A106 CB = 19.832(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.5330e-01 1.A106 H = 8.222(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.7075e-01 1.A106 HA = 2.9(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.9954e-03 1.A106 HB1 = 1.161(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.6727e-01 1.A106 HB2 = 1.161(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.6727e-01 1.A106 HB3 = 1.161(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.6727e-01 1.A106 N = 120.152(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.8458e-01 1.G107 CA = 47.402(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.2568e-01 1.G107 H = 8.305(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.6932e-01 1.G107 HA2 = 3.501(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.0495e-01 1.G107 HA3 = 3.719(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.2471e-01 1.G107 N = 102.97(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.3404e-02 1.S108 CA = 63.063(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.5899e-02 1.S108 CB = 63.296(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.3345e-01 1.S108 H = 7.507(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.9014e-01 1.S108 HA = 4.16(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.2371e-01 1.S108 HB2 = 3.872(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.7447e-01 1.S108 HB3 = 3.672(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.0973e-01 1.S108 N = 117.158(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0303e-01 1.L109 CA = 57.729(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.2211e-01 1.L109 CB = 42.67(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.4814e-01 1.L109 CG = 26.35(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.9586e-01 1.L109 CD1 = 26.168(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.6246e-01 1.L109 CD2 = 22.276(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.9670e-01 1.L109 H = 8.221(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8895e-01 1.L109 HA = 3.778(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.4883e-01 1.L109 HB2 = 1.616(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.8592e-01 1.L109 HB3 = 0.98(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.3361e-01 1.L109 HG = 1.73(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.0499e-01 1.L109 HD11 = 0.48(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.3490e-01 1.L109 HD12 = 0.48(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.3490e-01 1.L109 HD13 = 0.48(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.3490e-01 1.L109 HD21 = 0.53(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.9041e-01 1.L109 HD22 = 0.53(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.9041e-01 1.L109 HD23 = 0.53(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.9041e-01 1.L109 N = 119.871(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1005e-01 1.F110 CA = 62.197(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.0917e-01 1.F110 CB = 39.275(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.3227e-01 1.F110 CD1 = 131.168(D), Expected = 131.58, Std = 1.1800, ChiSquare = 7.2697e-01 1.F110 CE1 = 129.332(D), Expected = 130.71, Std = 1.3000, ChiSquare = 2.8914e-01 1.F110 H = 8.7(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.3677e-01 1.F110 HA = 4.144(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.9386e-01 1.F110 HB2 = 3.06(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.7118e-01 1.F110 HB3 = 3(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.6108e-01 1.F110 HD1 = 7.047(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.6655e-01 1.F110 HE1 = 7.042(D), Expected = 7.08, Std = 0.3100, ChiSquare = 9.0244e-01 1.F110 N = 122(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.1078e-01 1.L111 CA = 57.826(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.0035e-01 1.L111 CB = 41.707(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.4840e-01 1.L111 CG = 27.157(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.3180e-01 1.L111 CD1 = 25.412(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.6340e-01 1.L111 CD2 = 23.105(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.7829e-01 1.L111 H = 8.356(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.4630e-01 1.L111 HA = 3.835(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.0211e-01 1.L111 HB2 = 1.873(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.3921e-01 1.L111 HB3 = 1.571(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.8734e-01 1.L111 HG = 1.855(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.9581e-01 1.L111 HD11 = 0.831(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7236e-01 1.L111 HD12 = 0.831(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7236e-01 1.L111 HD13 = 0.831(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7236e-01 1.L111 HD21 = 0.902(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5311e-01 1.L111 HD22 = 0.902(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5311e-01 1.L111 HD23 = 0.902(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.5311e-01 1.L111 N = 122.916(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8657e-01 1.E112 CA = 56.489(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.9092e-01 1.E112 CB = 29.749(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7939e-01 1.E112 CG = 35.872(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.4148e-01 1.E112 H = 7.458(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.3942e-01 1.E112 HA = 4.154(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.1487e-01 1.E112 HB2 = 2.28(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.1568e-01 1.E112 HB3 = 1.81(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.3386e-01 1.E112 HG2 = 2.407(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.1416e-01 1.E112 HG3 = 2.326(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.2975e-01 1.E112 N = 114.503(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.6374e-02 1.G113 CA = 45.399(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7083e-01 1.G113 H = 7.56(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.3617e-01 1.G113 HA2 = 3.659(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.0061e-01 1.G113 HA3 = 3.978(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.3303e-01 1.G113 N = 106.532(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.1745e-01 1.I114 CA = 61.886(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.1798e-01 1.I114 CB = 39.67(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.0666e-01 1.I114 CG1 = 28.301(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.2500e-01 1.I114 CG2 = 13.636(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.1934e-03 1.I114 CD1 = 17.251(D), Expected = 13.43, Std = 1.6700, ChiSquare = 2.2136e-02 1.I114 H = 7.485(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.4236e-01 1.I114 HA = 3.849(D), Expected = 4.18, Std = 0.5600, ChiSquare = 5.5447e-01 1.I114 HB = 1.566(D), Expected = 1.78, Std = 0.2900, ChiSquare = 4.6056e-01 1.I114 HG12 = 1.318(D), Expected = 1.28, Std = 0.4000, ChiSquare = 9.2432e-01 1.I114 HG13 = 1.024(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.8557e-01 1.I114 HG21 = 0.689(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6418e-01 1.I114 HG22 = 0.689(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6418e-01 1.I114 HG23 = 0.689(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6418e-01 1.I114 HD11 = 0.848(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.6238e-01 1.I114 HD12 = 0.848(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.6238e-01 1.I114 HD13 = 0.848(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.6238e-01 1.I114 N = 118.096(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.3188e-01 1.L115 CA = 54.34(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.4788e-01 1.L115 CB = 44.77(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.9070e-01 1.L115 CG = 27.37(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.9171e-01 1.L115 CD1 = 25.67(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.5018e-01 1.L115 CD2 = 27.17(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.6462e-02 1.L115 H = 6.477(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9983e-03 1.L115 HA = 4.349(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.5080e-01 1.L115 HB2 = 1.015(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.0118e-02 1.L115 HB3 = 1.36(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.5672e-01 1.L115 HG = 1.55(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.0352e-01 1.L115 HD11 = 1.087(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.2876e-01 1.L115 HD12 = 1.087(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.2876e-01 1.L115 HD13 = 1.087(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.2876e-01 1.L115 HD21 = 0.773(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.8213e-01 1.L115 HD22 = 0.773(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.8213e-01 1.L115 HD23 = 0.773(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.8213e-01 1.L115 N = 120.347(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.9805e-01 1.N116 CA = 52.376(D), Expected = 53.54, Std = 1.8800, ChiSquare = 5.3582e-01 1.N116 CB = 40.57(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.6595e-01 1.N116 H = 9.655(D), Expected = 8.34, Std = 0.6300, ChiSquare = 3.6861e-02 1.N116 HA = 4.916(D), Expected = 4.67, Std = 0.3600, ChiSquare = 4.9440e-01 1.N116 HB2 = 3.1(D), Expected = 2.81, Std = 0.3100, ChiSquare = 3.4954e-01 1.N116 HB3 = 2.84(D), Expected = 2.75, Std = 0.3300, ChiSquare = 7.8506e-01 1.N116 HD21 = 7.606(D), Expected = 7.35, Std = 0.4800, ChiSquare = 5.9380e-01 1.N116 HD22 = 6.613(D), Expected = 7.14, Std = 0.4900, ChiSquare = 2.8215e-01 1.N116 N = 124.575(D), Expected = 118.93, Std = 4.0300, ChiSquare = 1.6129e-01 1.N116 ND2 = 115.578(D), Expected = 112.75, Std = 2.2300, ChiSquare = 2.0474e-01 1.S117 CA = 62.62(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.9557e-02 1.S117 CB = 63.11(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.4106e-01 1.S117 H = 8.763(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.1299e-01 1.S117 HA = 3.97(D), Expected = 4.48, Std = 0.4000, ChiSquare = 2.0231e-01 1.S117 HB2 = 3.92(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.7288e-01 1.S117 HB3 = 3.91(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.2414e-01 1.S117 N = 112.9(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.3694e-01 1.D118 CA = 56.325(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.2058e-01 1.D118 CB = 41.18(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.5308e-01 1.D118 H = 8.439(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.2399e-01 1.D118 HA = 4.663(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.1955e-01 1.D118 HB2 = 2.67(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.4750e-01 1.D118 HB3 = 2.68(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.4306e-01 1.D118 N = 120.265(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.2055e-01 1.N119 CA = 52.024(D), Expected = 53.54, Std = 1.8800, ChiSquare = 4.2002e-01 1.N119 CB = 39.038(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.3686e-01 1.N119 H = 7.897(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.8195e-01 1.N119 HA = 4.888(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.4481e-01 1.N119 HB2 = 3.22(D), Expected = 2.81, Std = 0.3100, ChiSquare = 1.8597e-01 1.N119 HB3 = 2.701(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.8196e-01 1.N119 HD21 = 7.305(D), Expected = 7.35, Std = 0.4800, ChiSquare = 9.2531e-01 1.N119 HD22 = 7.21(D), Expected = 7.14, Std = 0.4900, ChiSquare = 8.8640e-01 1.N119 N = 116.385(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.2770e-01 1.N119 ND2 = 106.82(D), Expected = 112.75, Std = 2.2300, ChiSquare = 7.8328e-03 1.A120 CA = 57.203(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.0168e-02 1.A120 CB = 20.257(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.9561e-01 1.A120 H = 7.435(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.0231e-01 1.A120 HA = 4.025(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.9328e-01 1.A120 HB1 = 1.555(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.3043e-01 1.A120 HB2 = 1.555(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.3043e-01 1.A120 HB3 = 1.555(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.3043e-01 1.A120 N = 122.909(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.2775e-01 1.A121 CA = 55.56(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.2162e-01 1.A121 CB = 17.482(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.0373e-01 1.A121 H = 8.567(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.4076e-01 1.A121 HA = 3.766(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.6155e-01 1.A121 HB1 = 1.316(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9596e-01 1.A121 HB2 = 1.316(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9596e-01 1.A121 HB3 = 1.316(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.9596e-01 1.A121 N = 117.723(D), Expected = 123.23, Std = 3.5400, ChiSquare = 1.1979e-01 1.T122 CA = 66.273(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.1761e-01 1.T122 CB = 68.623(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.9705e-01 1.T122 CG2 = 22.116(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.1011e-01 1.T122 H = 7.865(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.4529e-01 1.T122 HA = 3.827(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.8725e-01 1.T122 HB = 4.198(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.3238e-01 1.T122 HG21 = 1.217(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.3779e-01 1.T122 HG22 = 1.217(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.3779e-01 1.T122 HG23 = 1.217(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.3779e-01 1.T122 N = 116.278(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.5666e-01 1.L123 CA = 57.972(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.6950e-01 1.L123 CB = 41.226(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.6421e-01 1.L123 CG = 27.327(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.1900e-01 1.L123 CD1 = 26.245(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.3750e-01 1.L123 CD2 = 23.093(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.7347e-01 1.L123 H = 8.98(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.4856e-01 1.L123 HA = 4.144(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.0806e-01 1.L123 HB2 = 2.095(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.5373e-01 1.L123 HB3 = 1.378(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.9325e-01 1.L123 HG = 1.834(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.2619e-01 1.L123 HD11 = 0.839(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5059e-01 1.L123 HD12 = 0.839(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5059e-01 1.L123 HD13 = 0.839(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5059e-01 1.L123 HD21 = 0.842(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.9934e-01 1.L123 HD22 = 0.842(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.9934e-01 1.L123 HD23 = 0.842(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.9934e-01 1.L123 N = 122.623(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.4489e-01 1.A124 CA = 56.091(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.3612e-01 1.A124 CB = 18.345(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.1631e-01 1.A124 H = 8.036(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.8460e-01 1.A124 HA = 3.35(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.8623e-02 1.A124 HB1 = 0.928(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0457e-01 1.A124 HB2 = 0.928(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0457e-01 1.A124 HB3 = 0.928(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0457e-01 1.A124 N = 123.301(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.8400e-01 1.K125 CA = 59.29(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.8749e-01 1.K125 CB = 32.091(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.9454e-01 1.K125 CG = 24.97(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.4356e-01 1.K125 CD = 29.301(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.5220e-01 1.K125 CE = 42.17(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.3275e-01 1.K125 H = 7.472(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.3144e-01 1.K125 HA = 3.843(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.3182e-01 1.K125 HB2 = 1.895(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.4552e-01 1.K125 HB3 = 1.812(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.8973e-01 1.K125 HG2 = 1.39(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.3868e-01 1.K125 HG3 = 1.39(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.8640e-01 1.K125 HD2 = 1.645(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.7360e-01 1.K125 HD3 = 1.575(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.0953e-01 1.K125 HE2 = 2.89(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.7454e-01 1.K125 HE3 = 2.91(D), Expected = 2.91, Std = 0.2000, ChiSquare = 1.0000e+00 1.K125 N = 117.16(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.0215e-01 1.K126 CA = 59.869(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.8457e-01 1.K126 CB = 32.467(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.5601e-01 1.K126 CG = 25.374(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.6842e-01 1.K126 CD = 29.174(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.4293e-01 1.K126 CE = 42.17(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.3275e-01 1.K126 H = 8.138(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.3094e-01 1.K126 HA = 4.04(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.0116e-01 1.K126 HB2 = 2.026(D), Expected = 1.78, Std = 0.2500, ChiSquare = 3.2512e-01 1.K126 HB3 = 1.952(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.3235e-01 1.K126 HG2 = 1.45(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.5832e-01 1.K126 HG3 = 1.54(D), Expected = 1.35, Std = 0.2800, ChiSquare = 4.9741e-01 1.K126 HD2 = 1.64(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.9153e-01 1.K126 HD3 = 1.62(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.2757e-01 1.K126 HE2 = 2.89(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.7454e-01 1.K126 HE3 = 2.89(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.2034e-01 1.K126 N = 120.733(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.3299e-01 1.C127 CA = 64.186(D), Expected = 58.30, Std = 3.3300, ChiSquare = 7.7133e-02 1.C127 CB = 27.137(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.7310e-01 1.C127 H = 8.564(D), Expected = 8.39, Std = 0.6700, ChiSquare = 7.9509e-01 1.C127 HA = 4.27(D), Expected = 4.66, Std = 0.5500, ChiSquare = 4.7827e-01 1.C127 HB2 = 3.232(D), Expected = 2.96, Std = 0.4400, ChiSquare = 5.3646e-01 1.C127 HB3 = 3.191(D), Expected = 2.89, Std = 0.4600, ChiSquare = 5.1289e-01 1.C127 N = 116.65(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.4808e-01 1.A128 CA = 55.78(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.8242e-01 1.A128 CB = 18.621(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.3166e-01 1.A128 H = 8.51(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.0539e-01 1.A128 HA = 4.033(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.0592e-01 1.A128 HB1 = 1.275(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.7299e-01 1.A128 HB2 = 1.275(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.7299e-01 1.A128 HB3 = 1.275(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.7299e-01 1.A128 N = 122.529(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.4303e-01 1.N129 CA = 56.318(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.3950e-01 1.N129 CB = 38.063(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.1063e-01 1.N129 H = 8.818(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.4801e-01 1.N129 HA = 4.42(D), Expected = 4.67, Std = 0.3600, ChiSquare = 4.8740e-01 1.N129 HB2 = 2.98(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.8343e-01 1.N129 HB3 = 2.83(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.0845e-01 1.N129 HD21 = 7.585(D), Expected = 7.35, Std = 0.4800, ChiSquare = 6.2443e-01 1.N129 HD22 = 6.81(D), Expected = 7.14, Std = 0.4900, ChiSquare = 5.0065e-01 1.N129 N = 118.497(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.1444e-01 1.N129 ND2 = 110.744(D), Expected = 112.75, Std = 2.2300, ChiSquare = 3.6836e-01 1.D130 CA = 57.288(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.0061e-01 1.D130 CB = 39.608(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.3235e-01 1.D130 H = 8.543(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.8789e-01 1.D130 HA = 4.375(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.0166e-01 1.D130 HB2 = 2.884(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.2819e-01 1.D130 HB3 = 2.481(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.2264e-01 1.D130 N = 121.75(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.7566e-01 1.M131 CA = 59.432(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.3631e-01 1.M131 CB = 33.66(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.6486e-01 1.M131 CG = 32.897(D), Expected = 32.01, Std = 1.2400, ChiSquare = 4.7441e-01 1.M131 CE = 17.907(D), Expected = 17.07, Std = 1.5800, ChiSquare = 5.9629e-01 1.M131 H = 7.878(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.2434e-01 1.M131 HA = 3.952(D), Expected = 4.41, Std = 0.4800, ChiSquare = 3.4000e-01 1.M131 HB2 = 2.03(D), Expected = 2.03, Std = 0.3400, ChiSquare = 1.0000e+00 1.M131 HB3 = 2.29(D), Expected = 1.99, Std = 0.3400, ChiSquare = 3.7759e-01 1.M131 HG2 = 2.531(D), Expected = 2.42, Std = 0.3500, ChiSquare = 7.5113e-01 1.M131 HG3 = 2.25(D), Expected = 2.39, Std = 0.3800, ChiSquare = 7.1256e-01 1.M131 HE1 = 1.48(D), Expected = 1.89, Std = 0.4600, ChiSquare = 3.7277e-01 1.M131 HE2 = 1.48(D), Expected = 1.89, Std = 0.4600, ChiSquare = 3.7277e-01 1.M131 HE3 = 1.48(D), Expected = 1.89, Std = 0.4600, ChiSquare = 3.7277e-01 1.M131 N = 119.964(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.7185e-01 1.E132 CA = 60.146(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.7633e-01 1.E132 CB = 29.632(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.2605e-01 1.E132 CG = 36.945(D), Expected = 36.11, Std = 1.1900, ChiSquare = 4.8288e-01 1.E132 H = 8.664(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.7132e-01 1.E132 HA = 3.7(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.7977e-01 1.E132 HB2 = 2.15(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.3589e-01 1.E132 HB3 = 2.1(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.3246e-01 1.E132 HG2 = 2.23(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.4894e-01 1.E132 HG3 = 2.132(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.9171e-01 1.E132 N = 121.017(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.2057e-01 1.A133 CA = 54.938(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.6384e-01 1.A133 CB = 17.97(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.6983e-01 1.A133 H = 7.843(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.5184e-01 1.A133 HA = 4.027(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.9643e-01 1.A133 HB1 = 1.445(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.1482e-01 1.A133 HB2 = 1.445(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.1482e-01 1.A133 HB3 = 1.445(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.1482e-01 1.A133 N = 120.189(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.9032e-01 1.F134 CA = 60.317(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.8407e-01 1.F134 CB = 39.924(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.7481e-01 1.F134 CD1 = 131.644(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.5675e-01 1.F134 CE1 = 129.618(D), Expected = 130.71, Std = 1.3000, ChiSquare = 4.0091e-01 1.F134 H = 7.752(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.9842e-01 1.F134 HA = 4.177(D), Expected = 4.63, Std = 0.5700, ChiSquare = 4.2677e-01 1.F134 HB2 = 3.13(D), Expected = 3.00, Std = 0.3700, ChiSquare = 7.2532e-01 1.F134 HB3 = 3.1(D), Expected = 2.93, Std = 0.4000, ChiSquare = 6.7084e-01 1.F134 HD1 = 7.1(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.9733e-01 1.F134 HE1 = 7.091(D), Expected = 7.08, Std = 0.3100, ChiSquare = 9.7169e-01 1.F134 N = 118.599(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.5789e-01 1.A135 CA = 54.67(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.3968e-01 1.A135 CB = 18.832(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2251e-01 1.A135 H = 8.548(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.6191e-01 1.A135 HA = 3.91(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.2635e-01 1.A135 HB1 = 1.411(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.1451e-01 1.A135 HB2 = 1.411(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.1451e-01 1.A135 HB3 = 1.411(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.1451e-01 1.A135 N = 121.85(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.9666e-01 1.K136 CA = 58.869(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.8306e-01 1.K136 CB = 32.49(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.6616e-01 1.K136 CG = 25.54(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.6514e-01 1.K136 CD = 29.177(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.4076e-01 1.K136 CE = 42.019(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.7500e-01 1.K136 H = 7.855(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.7662e-01 1.K136 HA = 3.942(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.5600e-01 1.K136 HB2 = 1.859(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.5200e-01 1.K136 HB3 = 1.77(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.1153e-01 1.K136 HG2 = 1.591(D), Expected = 1.37, Std = 0.2600, ChiSquare = 3.9533e-01 1.K136 HG3 = 1.429(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.7783e-01 1.K136 HD2 = 1.634(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.1313e-01 1.K136 HD3 = 1.599(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.9637e-01 1.K136 HE2 = 2.9(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.1617e-01 1.K136 N = 116.4(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.1742e-01 1.K137 CA = 56.875(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.7280e-01 1.K137 CB = 32.352(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0563e-01 1.K137 CG = 24.72(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.8042e-01 1.K137 CD = 28.847(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.1667e-01 1.K137 CE = 42.027(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.6731e-01 1.K137 H = 7.312(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.4338e-01 1.K137 HA = 4.147(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.7983e-01 1.K137 HB2 = 1.797(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.4579e-01 1.K137 HB3 = 1.714(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.2329e-01 1.K137 HG2 = 1.398(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.1424e-01 1.K137 HG3 = 1.337(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.6297e-01 1.K137 HD2 = 1.618(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.7099e-01 1.K137 HD3 = 1.552(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.2729e-01 1.K137 HE2 = 2.88(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.3326e-01 1.K137 N = 116.815(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.6129e-01 1.M138 CA = 56.674(D), Expected = 56.11, Std = 2.2300, ChiSquare = 8.0033e-01 1.M138 CB = 33.176(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.3382e-01 1.M138 CG = 31.775(D), Expected = 32.01, Std = 1.2400, ChiSquare = 8.4969e-01 1.M138 CE = 17.225(D), Expected = 17.07, Std = 1.5800, ChiSquare = 9.2185e-01 1.M138 H = 7.585(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.6059e-01 1.M138 HA = 4.178(D), Expected = 4.41, Std = 0.4800, ChiSquare = 6.2886e-01 1.M138 HB2 = 1.959(D), Expected = 2.03, Std = 0.3400, ChiSquare = 8.3459e-01 1.M138 HB3 = 1.82(D), Expected = 1.99, Std = 0.3400, ChiSquare = 6.1707e-01 1.M138 HG2 = 2.334(D), Expected = 2.42, Std = 0.3500, ChiSquare = 8.0590e-01 1.M138 HG3 = 2.28(D), Expected = 2.39, Std = 0.3800, ChiSquare = 7.7222e-01 1.M138 HE1 = 1.939(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.1517e-01 1.M138 HE2 = 1.939(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.1517e-01 1.M138 HE3 = 1.939(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.1517e-01 1.M138 N = 117.754(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.1289e-01 1.V139 CA = 62.634(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.5984e-01 1.V139 CB = 32.479(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.8848e-01 1.V139 CG1 = 20.417(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.3013e-01 1.V139 CG2 = 20.972(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.5353e-01 1.V139 H = 7.713(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.8913e-01 1.V139 HA = 4.03(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.8265e-01 1.V139 HB = 2.075(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.6656e-01 1.V139 HG11 = 0.875(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.6259e-01 1.V139 HG12 = 0.875(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.6259e-01 1.V139 HG13 = 0.875(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.6259e-01 1.V139 HG21 = 0.852(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5267e-01 1.V139 HG22 = 0.852(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5267e-01 1.V139 HG23 = 0.852(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5267e-01 1.V139 N = 117.583(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.3335e-01 1.E140 CA = 56.633(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.4238e-01 1.E140 CB = 29.745(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7755e-01 1.E140 CG = 35.64(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.9287e-01 1.E140 H = 8.148(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.5772e-01 1.E140 HA = 4.236(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.7276e-01 1.E140 HB2 = 1.987(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.7513e-01 1.E140 HB3 = 1.898(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.8916e-01 1.E140 HG2 = 2.264(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.7721e-01 1.E140 HG3 = 2.256(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.7824e-01 1.E140 N = 122.109(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.7924e-01 1.I141 CA = 61.201(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.7870e-01 1.I141 CB = 38.83(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.2113e-01 1.I141 CG1 = 27.442(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.7326e-01 1.I141 CG2 = 12.977(S), Expected = 17.53, Std = 1.3600, ChiSquare = 8.1458e-04 1.I141 CD1 = 17.659(D), Expected = 13.43, Std = 1.6700, ChiSquare = 1.1331e-02 1.I141 H = 7.914(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.9041e-01 1.I141 HA = 4.137(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.3879e-01 1.I141 HB = 1.851(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.0659e-01 1.I141 HG12 = 1.395(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.7373e-01 1.I141 HG13 = 1.112(D), Expected = 1.19, Std = 0.4100, ChiSquare = 8.4912e-01 1.I141 HG21 = 0.768(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.9409e-01 1.I141 HG22 = 0.768(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.9409e-01 1.I141 HG23 = 0.768(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.9409e-01 1.I141 HD11 = 0.833(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9779e-01 1.I141 HD12 = 0.833(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9779e-01 1.I141 HD13 = 0.833(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9779e-01 1.I141 N = 120.492(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.2107e-01 1.G142 CA = 45.598(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.5317e-01 1.G142 H = 7.892(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.0041e-01 1.G142 HA2 = 3.678(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.3000e-01 1.G142 HA3 = 3.751(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.8717e-01 1.G142 N = 117.601(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.0428e-02