Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.696(D) CA :: 59.385(D) CB :: 63.702(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.455(D) HB2 :: 3.908(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) 1.D2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.22 F 0.12 N 0.1 K 0.1 Y 0.09 C Shift Assignments>> C :: 175.828(D) CA :: 54.685(D) CB :: 40.974(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 :: 8.555(D) HA :: 4.683(D) HB2 :: 2.759(D) HB3 :: 2.644(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 :: 121.276(D) Ave N Shift Values>> N :: 120.65(3.86) 1.D3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.33 L 0.24 K 0.12 N 0.1 F 0.09 Y 0.06 R 0.02 HN Overlap>> 1.Q45 2.Q43 1.Q45 2.Q43 C Shift Assignments>> C :: 175.884(D) CA :: 54.119(D) CB :: 41.305(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 :: 8.004(D) HA :: 4.580(D) HB2 :: 2.630(D) HB3 :: 2.630(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.296(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.61 M 0.22 Q 0.07 K 0.05 I 0.03 C Shift Assignments>> C :: 174.979(D) CA :: 56.871(D) CB :: 30.780(D) CG :: 36.283(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 :: 7.945(D) HA :: 4.135(D) HB2 :: 1.959(D) HB3 :: 1.959(D) HG2 :: 2.181(D) HG3 :: 2.261(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.922(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.82 R 0.12 G 0.05 C Shift Assignments>> C :: 175.305(D) CA :: 54.871(D) CB :: 42.841(D) CG :: 27.198(D) CD1 :: 25.427(D) CD2 :: 24.146(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 :: 8.042(D) HA :: 4.539(D) HB2 :: 1.487(D) HB3 :: 1.351(D) HG :: 1.290(D) HD11 :: 0.788(D) HD12 :: 0.788(D) HD13 :: 0.788(D) HD21 :: 0.689(D) HD22 :: 0.689(D) HD23 :: 0.689(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.551(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.62 L 0.37 HN Overlap>> 2.R14 2.R14 C Shift Assignments>> C :: 174.919(D) CA :: 53.517(D) CB :: 45.589(D) CG :: 26.950(D) CD1 :: 24.896(D) CD2 :: 23.410(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 :: 8.799(D) HA :: 4.512(D) HB2 :: 0.968(D) HB3 :: 1.274(D) HD11 :: 0.330(D) HD12 :: 0.330(D) HD13 :: 0.330(D) HD21 :: 0.514(D) HD22 :: 0.514(D) HD23 :: 0.514(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 :: 127.945(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 175.335(D) CA :: 57.432(D) CB :: 40.944(D) CD1 :: 132.591(D) CE1 :: 118.012(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 :: 8.583(D) HA :: 5.157(D) HB2 :: 2.840(D) HB3 :: 2.617(D) HD1 :: 6.845(D) HD2 :: 6.845(D) HE1 :: 6.743(D) HE2 :: 6.743(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.176(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.94 L 0.05 C Shift Assignments>> C :: 173.946(D) CA :: 51.618(D) CB :: 45.412(D) CD1 :: 27.204(D) CD2 :: 25.251(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 :: 9.308(D) HA :: 5.152(D) HB2 :: 2.014(D) HB3 :: 1.395(D) HD11 :: 0.589(D) HD12 :: 0.589(D) HD13 :: 0.589(D) HD21 :: 0.662(D) HD22 :: 0.662(D) HD23 :: 0.662(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.094(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.758(D) CA :: 62.090(D) CB :: 31.873(D) CG :: 27.887(D) CD :: 51.406(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 :: 4.527(D) HB2 :: 1.757(D) HB3 :: 1.919(D) HG2 :: 2.163(D) HG3 :: 2.158(D) HD2 :: 3.864(D) HD3 :: 4.392(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.V10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.94 K 0.02 I 0.02 HN Overlap>> 2.V11 2.V11 C Shift Assignments>> C :: 173.446(D) CA :: 61.618(D) CB :: 35.669(D) CG1 :: 22.539(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.193(D) HA :: 4.209(D) HB :: 1.959(D) HG11 :: 0.914(D) HG12 :: 0.914(D) HG13 :: 0.914(D) HG21 :: 0.914(D) HG22 :: 0.914(D) HG23 :: 0.914(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.047(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.77 G 0.11 K 0.1 C Shift Assignments>> C :: 176.092(D) CA :: 55.367(D) CB :: 30.605(D) CG :: 27.566(D) CD :: 43.376(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.053(D) HA :: 4.699(D) HB2 :: 1.813(D) HB3 :: 1.632(D) HG2 :: 1.523(D) HG3 :: 1.523(D) HD2 :: 3.164(D) HD3 :: 3.164(D) HE :: 7.298(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.433(D) NE :: 84.80(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.15 R 0.04 F 0.01 D 0.01 C Shift Assignments>> C :: 173.823(D) CA :: 44.951(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.614(D) HA2 :: 4.507(D) HA3 :: 3.770(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.279(D) Ave N Shift Values>> N :: 109.67(3.87) 1.R13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.76 K 0.17 G 0.04 L 0.01 C Shift Assignments>> C :: 177.793(D) CA :: 59.204(D) CB :: 29.767(D) CG :: 27.031(D) CD :: 42.716(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.774(D) HA :: 3.852(D) HB2 :: 1.895(D) HB3 :: 1.895(D) HG2 :: 1.690(D) HG3 :: 1.690(D) HD2 :: 3.196(D) HD3 :: 3.196(D) HE :: 7.620(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.500(D) NE :: 83.99(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.59 E 0.34 K 0.04 C Shift Assignments>> C :: 179.794(D) CA :: 60.362(D) CB :: 28.959(D) CG :: 36.906(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 :: 8.888(D) HA :: 4.082(D) HB2 :: 2.037(D) HB3 :: 2.037(D) HG2 :: 2.306(D) HG3 :: 2.306(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.254(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.Q44 1.Q44 C Shift Assignments>> C :: 175.457(D) CA :: 66.498(D) CB :: 67.813(D) CG2 :: 23.072(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 :: 7.958(D) HA :: 3.784(D) HB :: 4.058(D) HG21 :: 1.188(D) HG22 :: 1.188(D) HG23 :: 1.188(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.699(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 175.895(D) CA :: 63.096(D) CB :: 39.224(D) CD1 :: 133.116(D) CE1 :: 118.368(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 :: 8.042(D) HA :: 3.742(D) HB2 :: 3.237(D) HB3 :: 2.820(D) HD1 :: 6.777(D) HD2 :: 6.777(D) HE1 :: 6.677(D) HE2 :: 6.677(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.365(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.53 E 0.4 K 0.04 C Shift Assignments>> C :: 179.448(D) CA :: 59.879(D) CB :: 29.245(D) CG :: 37.199(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 :: 8.713(D) HA :: 3.827(D) HB2 :: 2.124(D) HB3 :: 2.124(D) HG2 :: 2.684(D) HG3 :: 2.426(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 :: 116.940(D) Ave N Shift Values>> N :: 120.67(3.48) 1.M18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.81 V 0.15 I 0.02 C Shift Assignments>> C :: 178.050(D) CA :: 58.815(D) CB :: 32.736(D) CE :: 18.011(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 :: 7.505(D) HA :: 4.291(D) HB2 :: 2.575(D) HB3 :: 2.421(D) HG2 :: 2.219(D) HG3 :: 2.219(D) HE1 :: 2.013(D) HE2 :: 2.013(D) HE3 :: 2.013(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 :: 118.965(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.73 K 0.25 C Shift Assignments>> C :: 178.443(D) CA :: 57.561(D) CB :: 41.755(D) CG :: 27.231(D) CD1 :: 22.993(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 :: 8.151(D) HA :: 3.823(D) HB2 :: 1.066(D) HB3 :: 1.787(D) HG :: 1.442(D) HD11 :: 0.670(D) HD12 :: 0.670(D) HD13 :: 0.670(D) HD21 :: 0.670(D) HD22 :: 0.670(D) HD23 :: 0.670(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 :: 117.499(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.65 K 0.3 R 0.02 C Shift Assignments>> C :: 178.475(D) CA :: 58.702(D) CB :: 41.865(D) CG :: 26.812(D) CD1 :: 24.962(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 :: 8.649(D) HA :: 3.764(D) HB2 :: 1.247(D) HB3 :: 1.247(D) HG :: 1.430(D) HD11 :: 0.846(D) HD12 :: 0.846(D) HD13 :: 0.846(D) HD21 :: 0.846(D) HD22 :: 0.846(D) HD23 :: 0.846(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 :: 120.873(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.47 I 0.22 K 0.16 Q 0.11 M 0.02 C Shift Assignments>> C :: 179.572(D) CA :: 59.700(D) CB :: 29.294(D) CG :: 35.703(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 :: 7.379(D) HA :: 4.061(D) HB2 :: 2.069(D) HB3 :: 2.179(D) HG2 :: 2.208(D) HG3 :: 2.436(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.433(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 177.909(D) CA :: 64.520(D) CB :: 37.912(D) CG1 :: 28.189(D) CG2 :: 18.339(D) CD1 :: 13.936(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 :: 7.649(D) HA :: 3.715(D) HB :: 1.807(D) HG12 :: 1.728(D) HG13 :: 1.136(D) HG21 :: 0.784(D) HG22 :: 0.784(D) HG23 :: 0.784(D) HD11 :: 0.746(D) HD12 :: 0.746(D) HD13 :: 0.746(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 :: 116.978(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.74 R 0.21 G 0.03 C Shift Assignments>> C :: 177.322(D) CA :: 60.543(D) CB :: 32.495(D) CG :: 25.116(D) CD :: 29.918(D) CE :: 42.419(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.094(D) HA :: 3.708(D) HB2 :: 2.042(D) HB3 :: 2.042(D) HG2 :: 1.468(D) HG3 :: 1.468(D) HD2 :: 1.866(D) HD3 :: 1.477(D) HE2 :: 2.979(D) HE3 :: 2.979(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.631(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.48 I 0.45 K 0.03 M 0.02 C Shift Assignments>> C :: 177.755(D) CA :: 59.767(D) CB :: 29.767(D) CG :: 37.220(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 :: 8.320(D) HA :: 4.241(D) HB2 :: 2.261(D) HB3 :: 2.261(D) HG2 :: 2.252(D) HG3 :: 2.562(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.756(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.840(D) CA :: 62.272(D) CB :: 63.277(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.425(D) HA :: 4.174(D) HB2 :: 3.973(D) HB3 :: 3.767(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 :: 114.010(D) Ave N Shift Values>> N :: 116.28(3.52) 1.L26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.84 K 0.07 G 0.07 C Shift Assignments>> C :: 180.418(D) CA :: 57.999(D) CB :: 42.710(D) CG :: 26.763(D) CD1 :: 22.608(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 :: 7.625(D) HA :: 4.045(D) HB2 :: 1.481(D) HB3 :: 1.481(D) HG :: 1.821(D) HD11 :: 0.855(D) HD12 :: 0.855(D) HD13 :: 0.855(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 :: 122.202(D) Ave N Shift Values>> N :: 121.86(3.9) 1.E27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.75 E 0.22 K 0.01 C Shift Assignments>> C :: 180.128(D) CA :: 59.636(D) CB :: 29.557(D) CG :: 38.354(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 :: 8.593(D) HA :: 4.079(D) HG2 :: 2.789(D) HG3 :: 2.346(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.591(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.6 K 0.37 C Shift Assignments>> C :: 178.567(D) CA :: 57.289(D) CB :: 41.847(D) CD1 :: 26.940(D) CD2 :: 23.989(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 :: 8.468(D) HA :: 3.967(D) HB2 :: 1.817(D) HB3 :: 1.227(D) HD11 :: 0.657(D) HD12 :: 0.657(D) HD13 :: 0.657(D) HD21 :: 0.469(D) HD22 :: 0.469(D) HD23 :: 0.469(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 :: 119.793(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.99 HN Overlap>> 2.E31 2.E31 C Shift Assignments>> C :: 177.907(D) CA :: 58.463(D) CB :: 33.047(D) CG :: 31.955(D) CE :: 17.262(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 :: 7.279(D) HA :: 3.928(D) HB2 :: 2.098(D) HB3 :: 2.012(D) HG2 :: 2.587(D) HG3 :: 2.688(D) HE1 :: 1.943(D) HE2 :: 1.943(D) HE3 :: 1.943(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 115.804(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Q30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.37 K 0.37 R 0.15 M 0.05 E 0.04 C Shift Assignments>> C :: 176.520(D) CA :: 56.935(D) CB :: 28.342(D) CG :: 33.415(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 :: 7.138(D) HA :: 4.120(D) HB2 :: 1.969(D) HB3 :: 1.881(D) HG2 :: 2.253(D) HG3 :: 2.253(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 114.048(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.64 F 0.35 C Shift Assignments>> C :: 176.095(D) CA :: 58.425(D) CB :: 38.492(D) CD1 :: 133.087(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.764(D) HA :: 4.483(D) HB2 :: 3.313(D) HB3 :: 2.928(D) HD1 :: 7.258(D) HD2 :: 7.258(D) HE1 :: 6.796(D) HE2 :: 6.796(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.000(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.59 R 0.26 K 0.11 G 0.02 HN Overlap>> 2.K22 2.K22 C Shift Assignments>> C :: 174.141(D) CA :: 52.337(D) CB :: 42.269(D) CG :: 27.404(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 :: 7.368(D) HA :: 2.906(D) HB2 :: 1.920(D) HB3 :: 1.920(D) HG :: 0.871(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 :: 120.517(D) Ave N Shift Values>> N :: 121.86(3.9) 1.P33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.79 N 0.1 D 0.04 L 0.01 M 0.01 C Shift Assignments>> CD :: 50.551(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>> HD2 :: 3.520(D) HD3 :: 4.007(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.Q34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> M 0.2 V 0.19 K 0.18 P 0.17 R 0.09 H 0.07 E 0.04 Q 0.02 C Shift Assignments>> CB :: 32.286(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>> HA :: 4.547(D) HB2 :: 2.429(D) HB3 :: 1.806(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) 1.H35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.99 C Shift Assignments>> C :: 177.836(D) CA :: 59.366(D) CB :: 29.512(D) CD2 :: 120.025(D) CE1 :: 138.550(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 :: 8.869(D) HA :: 4.472(D) HB2 :: 3.298(D) HB3 :: 3.115(D) HD2 :: 7.146(D) HE1 :: 7.927(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 :: 124.090(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.029(D) CA :: 66.606(D) CB :: 68.598(D) CG2 :: 22.866(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 :: 7.138(D) HA :: 3.946(D) HB :: 4.157(D) HG21 :: 1.251(D) HG22 :: 1.251(D) HG23 :: 1.251(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 :: 119.182(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 177.685(D) CA :: 65.667(D) CB :: 38.204(D) CG1 :: 29.223(D) CG2 :: 16.687(D) CD1 :: 13.468(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 :: 7.193(D) HA :: 3.562(D) HB :: 1.917(D) HG12 :: 0.897(D) HG13 :: 1.513(D) HG21 :: 0.812(D) HG22 :: 0.812(D) HG23 :: 0.812(D) HD11 :: 0.823(D) HD12 :: 0.823(D) HD13 :: 0.823(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 :: 122.903(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.52 I 0.33 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> C :: 179.575(D) CA :: 59.745(D) CB :: 29.441(D) CG :: 36.448(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 :: 8.578(D) HA :: 4.049(D) HB2 :: 2.098(D) HB3 :: 2.098(D) HG2 :: 2.410(D) HG3 :: 2.341(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.719(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.203(D) CA :: 66.989(D) CB :: 68.845(D) CG2 :: 21.508(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 :: 8.124(D) HA :: 3.936(D) HB :: 4.264(D) HG21 :: 1.245(D) HG22 :: 1.245(D) HG23 :: 1.245(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 :: 116.297(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Y40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 178.058(D) CA :: 61.902(D) CB :: 38.583(D) CD1 :: 133.346(D) CE1 :: 118.182(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.730(D) HA :: 4.223(D) HB2 :: 3.329(D) HB3 :: 3.094(D) HD1 :: 7.059(D) HD2 :: 7.059(D) HE1 :: 6.793(D) HE2 :: 6.793(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 :: 123.453(D) Ave N Shift Values>> N :: 120.52(4.2) 1.R41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.54 R 0.39 K 0.05 C Shift Assignments>> C :: 179.552(D) CA :: 60.487(D) CB :: 30.078(D) CG :: 29.165(D) CD :: 43.879(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.635(D) HA :: 3.802(D) HB2 :: 1.950(D) HB3 :: 1.950(D) HG2 :: 1.782(D) HG3 :: 1.782(D) HD2 :: 3.051(D) HD3 :: 3.051(D) HE :: 8.491(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.944(D) NE :: 86.84(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.37 K 0.35 E 0.1 R 0.09 I 0.04 M 0.02 HN Overlap>> 2.L29 2.L29 C Shift Assignments>> C :: 178.700(D) CA :: 58.828(D) CB :: 28.352(D) CG :: 33.973(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 :: 8.225(D) HA :: 4.083(D) HG2 :: 2.568(D) HG3 :: 2.365(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.455(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.38 K 0.34 E 0.1 R 0.1 I 0.03 M 0.01 C Shift Assignments>> C :: 178.664(D) CA :: 58.347(D) CB :: 28.179(D) CG :: 34.038(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 :: 7.894(D) HA :: 4.088(D) HG2 :: 2.565(D) HG3 :: 2.370(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.905(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.38 K 0.35 R 0.15 E 0.05 M 0.03 I 0.01 HN Overlap>> 1.T15 1.T15 C Shift Assignments>> C :: 178.320(D) CA :: 57.285(D) CB :: 28.161(D) CG :: 33.561(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 :: 8.034(D) HA :: 3.947(D) HG2 :: 2.027(D) HG3 :: 2.027(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.762(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.38 K 0.36 E 0.1 R 0.08 I 0.02 M 0.02 HN Overlap>> 1.D3 1.D3 2.Q43 2.Q43 C Shift Assignments>> C :: 177.742(D) CA :: 58.171(D) CB :: 28.493(D) CG :: 33.959(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 :: 7.997(D) HA :: 4.191(D) HB2 :: 2.196(D) HB3 :: 2.196(D) HG2 :: 2.475(D) HG3 :: 2.475(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.382(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.38 K 0.36 E 0.12 R 0.06 M 0.03 I 0.02 C Shift Assignments>> C :: 177.540(D) CA :: 57.685(D) CB :: 28.743(D) CG :: 34.010(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 :: 7.870(D) HA :: 4.196(D) HB2 :: 2.143(D) HB3 :: 2.143(D) HG2 :: 2.452(D) HG3 :: 2.452(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.664(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 Q 0.2 E 0.17 H 0.16 R 0.13 I 0.04 M 0.03 L 0.02 HN Overlap>> 1.H50 1.H50 C Shift Assignments>> C :: 177.073(D) CA :: 57.328(D) CB :: 28.925(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 :: 8.043(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.622(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> H 0.99 C Shift Assignments>> C :: 176.277(D) CA :: 57.913(D) CB :: 30.219(D) CD2 :: 121.459(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>> HA :: 4.573(D) HB2 :: 3.184(D) HB3 :: 3.300(D) HD2 :: 7.207(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) 1.Q49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.39 K 0.37 E 0.11 R 0.06 M 0.04 I 0.01 C Shift Assignments>> C :: 176.896(D) CA :: 57.545(D) CB :: 28.874(D) CG :: 33.945(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 :: 8.117(D) HA :: 4.215(D) HB2 :: 2.093(D) HB3 :: 2.093(D) HG2 :: 2.385(D) HG3 :: 2.385(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.554(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.99 HN Overlap>> 1.Q47 1.Q47 C Shift Assignments>> C :: 176.265(D) CA :: 57.300(D) CB :: 30.189(D) CD2 :: 120.038(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 :: 8.138(D) HA :: 4.548(D) HB2 :: 3.148(D) HB3 :: 3.148(D) HD2 :: 7.035(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.665(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.92 R 0.06 G 0.01 C Shift Assignments>> C :: 177.627(D) CA :: 56.203(D) CB :: 42.144(D) CG :: 26.996(D) CD1 :: 25.037(D) CD2 :: 23.883(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 :: 7.809(D) HA :: 4.170(D) HB2 :: 1.629(D) HB3 :: 1.629(D) HG :: 1.458(D) HD11 :: 0.822(D) HD12 :: 0.822(D) HD13 :: 0.822(D) HD21 :: 0.822(D) HD22 :: 0.822(D) HD23 :: 0.822(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 :: 121.208(D) Ave N Shift Values>> N :: 121.86(3.9) 1.L52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.92 R 0.05 G 0.01 C Shift Assignments>> C :: 177.799(D) CA :: 55.993(D) CB :: 42.118(D) CG :: 26.999(D) CD1 :: 25.008(D) CD2 :: 23.567(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 :: 7.924(D) HA :: 4.178(D) HB2 :: 1.564(D) HB3 :: 1.564(D) HG :: 1.562(D) HD11 :: 0.830(D) HD12 :: 0.830(D) HD13 :: 0.830(D) HD21 :: 0.830(D) HD22 :: 0.830(D) HD23 :: 0.830(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 :: 120.700(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Q53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.39 K 0.36 E 0.11 M 0.06 R 0.04 C Shift Assignments>> C :: 176.327(D) CA :: 56.492(D) CB :: 29.202(D) CG :: 33.904(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 :: 7.986(D) HA :: 4.215(D) HB2 :: 2.086(D) HB3 :: 2.013(D) HG2 :: 2.352(D) HG3 :: 2.352(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.631(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.77 R 0.21 G 0.01 C Shift Assignments>> C :: 176.812(D) CA :: 56.680(D) CB :: 32.898(D) CG :: 24.731(D) CD :: 29.071(D) CE :: 42.176(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 :: 8.053(D) HA :: 4.227(D) HB2 :: 1.795(D) HB3 :: 1.735(D) HG2 :: 1.404(D) HG3 :: 1.358(D) HD2 :: 1.622(D) HD3 :: 1.622(D) HE2 :: 2.931(D) HE3 :: 2.931(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 :: 121.278(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.4 K 0.36 E 0.1 M 0.08 R 0.04 C Shift Assignments>> C :: 176.291(D) CA :: 56.199(D) CB :: 29.392(D) CG :: 33.814(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 :: 8.249(D) HA :: 4.322(D) HB2 :: 2.081(D) HB3 :: 1.959(D) HG2 :: 2.296(D) HG3 :: 2.296(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.539(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.526(D) CA :: 62.075(D) CB :: 69.852(D) CG2 :: 21.600(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 :: 8.063(D) HA :: 4.347(D) HB :: 4.233(D) HG21 :: 1.196(D) HG22 :: 1.196(D) HG23 :: 1.196(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 :: 114.334(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 174.275(D) CA :: 58.405(D) CB :: 63.949(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.163(D) HA :: 4.502(D) HB2 :: 3.868(D) HB3 :: 3.868(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 :: 117.856(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 176.006(D) CA :: 61.275(D) CB :: 38.820(D) CG1 :: 27.288(D) CG2 :: 17.571(D) CD1 :: 13.017(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 :: 8.049(D) HA :: 4.194(D) HB :: 1.856(D) HG12 :: 1.445(D) HG13 :: 1.162(D) HG21 :: 0.881(D) HG22 :: 0.881(D) HG23 :: 0.881(D) HD11 :: 0.827(D) HD12 :: 0.827(D) HD13 :: 0.827(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 :: 122.144(D) Ave N Shift Values>> N :: 121.46(4.28) 1.Q59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.4 K 0.31 M 0.13 E 0.11 R 0.02 C Shift Assignments>> C :: 174.974(D) CA :: 55.845(D) CB :: 29.748(D) CG :: 33.916(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 :: 8.327(D) HA :: 4.416(D) HB2 :: 2.143(D) HB3 :: 1.985(D) HG2 :: 2.367(D) HG3 :: 2.367(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 :: 124.842(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 60.023(D) CB :: 64.970(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.961(D) HA :: 4.267(D) HB2 :: 3.837(D) HB3 :: 3.837(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 :: 123.632(D) Ave N Shift Values>> N :: 116.28(3.52) 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.711(D) CB :: 63.860(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HB2 :: 3.928(D) HB3 :: 3.890(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) 2.D3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.23 F 0.12 K 0.11 N 0.09 Y 0.09 R 0.01 C Shift Assignments>> C :: 176.278(D) CA :: 54.810(D) CB :: 41.016(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 :: 8.562(D) HA :: 4.639(D) HB2 :: 2.764(D) HB3 :: 2.665(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.025(D) Ave N Shift Values>> N :: 120.65(3.86) 2.E4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.64 M 0.16 K 0.07 Q 0.06 I 0.04 C Shift Assignments>> C :: 176.192(D) CA :: 56.585(D) CB :: 30.397(D) CG :: 36.418(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 :: 8.250(D) HA :: 4.298(D) HB2 :: 2.122(D) HB3 :: 1.905(D) HG2 :: 2.250(D) HG3 :: 2.250(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.066(D) Ave N Shift Values>> N :: 120.67(3.48) 2.D5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.25 K 0.14 F 0.09 N 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 174.498(D) CA :: 54.406(D) CB :: 41.369(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 :: 8.201(D) HA :: 4.573(D) HB2 :: 2.601(D) HB3 :: 2.601(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 :: 121.351(D) Ave N Shift Values>> N :: 120.65(3.86) 2.T6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 2.S26 2.S26 C Shift Assignments>> C :: 172.624(D) CA :: 62.159(D) CB :: 70.272(D) CG2 :: 21.804(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 :: 7.557(D) HA :: 4.655(D) HB :: 3.722(D) HG21 :: 0.862(D) HG22 :: 0.862(D) HG23 :: 0.862(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 :: 114.380(D) Ave N Shift Values>> N :: 115.42(4.75) 2.Y7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.92 G 0.07 C Shift Assignments>> C :: 174.022(D) CA :: 56.835(D) CB :: 42.581(D) CD1 :: 133.400(D) CE1 :: 117.091(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 :: 8.926(D) HA :: 4.350(D) HB2 :: 2.104(D) HB3 :: 2.104(D) HD1 :: 6.485(D) HD2 :: 6.485(D) HE1 :: 6.445(D) HE2 :: 6.445(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.760(D) Ave N Shift Values>> N :: 120.52(4.2) 2.Y8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 174.891(D) CA :: 57.289(D) CB :: 41.584(D) CD1 :: 133.033(D) CE1 :: 118.034(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 :: 8.401(D) HA :: 5.441(D) HB2 :: 2.920(D) HB3 :: 2.821(D) HD1 :: 6.984(D) HD2 :: 6.984(D) HE1 :: 6.663(D) HE2 :: 6.663(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.700(D) Ave N Shift Values>> N :: 120.52(4.2) 2.L9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.18 C Shift Assignments>> C :: 174.466(D) CA :: 54.498(D) CB :: 46.266(D) CG :: 26.939(D) CD1 :: 26.375(D) CD2 :: 27.073(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 :: 9.204(D) HA :: 4.992(D) HB2 :: 1.854(D) HB3 :: 1.620(D) HG :: 1.775(D) HD11 :: 0.819(D) HD12 :: 0.819(D) HD13 :: 0.819(D) HD21 :: 0.776(D) HD22 :: 0.776(D) HD23 :: 0.776(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 :: 121.632(D) Ave N Shift Values>> N :: 121.86(3.9) 2.Q10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.52 Q 0.3 E 0.11 K 0.04 C Shift Assignments>> C :: 174.509(D) CA :: 54.374(D) CB :: 31.382(D) CG :: 34.225(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.013(D) HA :: 5.080(D) HB2 :: 1.817(D) HB3 :: 1.936(D) HG2 :: 1.993(D) HG3 :: 1.993(D) HE21 :: 6.763(D) HE22 :: 7.171(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 :: 123.532(D) NE2 :: 111.543(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.V11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.V10 1.V10 C Shift Assignments>> C :: 172.608(D) CA :: 60.198(D) CB :: 35.603(D) CG1 :: 22.465(D) CG2 :: 20.695(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.159(D) HA :: 4.599(D) HB :: 1.858(D) HG11 :: 0.974(D) HG12 :: 0.974(D) HG13 :: 0.974(D) HG21 :: 0.942(D) HG22 :: 0.942(D) HG23 :: 0.942(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 :: 124.091(D) Ave N Shift Values>> N :: 121.14(4.54) 2.R12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.75 G 0.12 K 0.12 C Shift Assignments>> C :: 176.488(D) CA :: 55.820(D) CB :: 31.257(D) CG :: 27.514(D) CD :: 43.493(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.324(D) HA :: 4.890(D) HB2 :: 1.824(D) HB3 :: 1.699(D) HG2 :: 1.595(D) HG3 :: 1.595(D) HD2 :: 3.221(D) HD3 :: 3.221(D) HE :: 8.184(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 129.114(D) NE :: 86.31(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.G13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 L 0.15 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 176.498(D) CA :: 44.970(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.813(D) HA2 :: 4.696(D) HA3 :: 3.911(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.585(D) Ave N Shift Values>> N :: 109.67(3.87) 2.R14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.76 K 0.14 G 0.07 L 0.01 HN Overlap>> 1.L6 1.L6 C Shift Assignments>> C :: 177.603(D) CA :: 59.637(D) CB :: 29.841(D) CG :: 26.877(D) CD :: 42.924(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.866(D) HA :: 3.525(D) HB2 :: 2.044(D) HB3 :: 1.862(D) HG2 :: 1.693(D) HG3 :: 1.693(D) HD2 :: 3.112(D) HD3 :: 3.112(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.937(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.K15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.74 R 0.23 G 0.01 C Shift Assignments>> C :: 178.726(D) CA :: 59.527(D) CB :: 31.368(D) CG :: 24.515(D) CD :: 29.078(D) CE :: 42.151(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 :: 8.556(D) HA :: 4.024(D) HB2 :: 1.864(D) HB3 :: 1.765(D) HG2 :: 1.478(D) HG3 :: 1.355(D) HD2 :: 1.688(D) HD3 :: 1.688(D) HE2 :: 2.947(D) HE3 :: 2.947(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.095(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.N16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.26 Y 0.21 E 0.17 F 0.15 M 0.06 D 0.05 I 0.03 L 0.02 K 0.01 HN Overlap>> 2.E25 2.E25 C Shift Assignments>> C :: 176.932(D) CA :: 55.393(D) CB :: 37.528(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 :: 7.617(D) HA :: 4.402(D) HB2 :: 2.957(D) HB3 :: 2.268(D) HD21 :: 6.624(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 :: 116.769(D) ND2 :: 114.634(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.F17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.54 Y 0.45 C Shift Assignments>> C :: 175.757(D) CA :: 61.430(D) CB :: 39.099(D) CD1 :: 131.521(D) CE1 :: 131.117(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 :: 8.051(D) HA :: 3.901(D) HB2 :: 2.594(D) HB3 :: 2.724(D) HD1 :: 6.635(D) HD2 :: 6.635(D) HE1 :: 7.213(D) HE2 :: 7.213(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 :: 120.646(D) Ave N Shift Values>> N :: 120.45(4.18) 2.E18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.53 E 0.4 K 0.04 C Shift Assignments>> C :: 180.017(D) CA :: 59.873(D) CB :: 29.177(D) CG :: 37.152(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 :: 8.364(D) HA :: 3.505(D) HB2 :: 2.096(D) HB3 :: 1.930(D) HG2 :: 2.176(D) HG3 :: 2.534(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.509(D) Ave N Shift Values>> N :: 120.67(3.48) 2.I19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 177.344(D) CA :: 65.580(D) CB :: 38.429(D) CG1 :: 29.459(D) CG2 :: 17.073(D) CD1 :: 13.733(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 :: 7.670(D) HA :: 3.644(D) HB :: 1.833(D) HG12 :: 1.833(D) HG13 :: 0.984(D) HG21 :: 0.806(D) HG22 :: 0.806(D) HG23 :: 0.806(D) HD11 :: 0.840(D) HD12 :: 0.840(D) HD13 :: 0.840(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 :: 119.260(D) Ave N Shift Values>> N :: 121.46(4.28) 2.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.8 K 0.19 C Shift Assignments>> C :: 178.883(D) CA :: 58.221(D) CB :: 41.337(D) CG :: 26.751(D) CD1 :: 23.470(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 :: 7.937(D) HA :: 3.804(D) HB2 :: 1.150(D) HB3 :: 1.150(D) HG :: 1.828(D) HD11 :: 0.731(D) HD12 :: 0.731(D) HD13 :: 0.731(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 :: 117.913(D) Ave N Shift Values>> N :: 121.86(3.9) 2.M21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.99 C Shift Assignments>> C :: 178.742(D) CA :: 57.871(D) CB :: 31.907(D) CG :: 31.572(D) CE :: 16.833(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 :: 8.659(D) HA :: 4.032(D) HB2 :: 1.904(D) HB3 :: 1.843(D) HG2 :: 1.821(D) HG3 :: 1.716(D) HE1 :: 1.883(D) HE2 :: 1.883(D) HE3 :: 1.883(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 :: 118.279(D) Ave N Shift Values>> N :: 120.09(3.57) 2.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.77 R 0.2 G 0.01 HN Overlap>> 1.L32 1.L32 C Shift Assignments>> C :: 179.072(D) CA :: 59.346(D) CB :: 32.224(D) CG :: 25.296(D) CD :: 29.305(D) CE :: 42.200(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 :: 7.381(D) HA :: 4.023(D) HB2 :: 1.911(D) HB3 :: 1.817(D) HG2 :: 1.377(D) HG3 :: 1.547(D) HD2 :: 1.633(D) HD3 :: 1.633(D) HE2 :: 2.890(D) HE3 :: 2.890(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 :: 120.560(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.84 K 0.14 C Shift Assignments>> C :: 177.923(D) CA :: 56.462(D) CB :: 41.718(D) CG :: 26.351(D) CD1 :: 24.109(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 :: 7.688(D) HA :: 4.345(D) HB2 :: 1.644(D) HB3 :: 1.234(D) HG :: 0.721(D) HD11 :: 0.695(D) HD12 :: 0.695(D) HD13 :: 0.695(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.891(D) Ave N Shift Values>> N :: 121.86(3.9) 2.K24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.44 G 0.28 R 0.27 C Shift Assignments>> C :: 177.059(D) CA :: 60.465(D) CB :: 33.137(D) CG :: 24.741(D) CD :: 30.050(D) CE :: 43.381(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 :: 8.884(D) HA :: 3.730(D) HB2 :: 2.102(D) HB3 :: 1.897(D) HG2 :: 1.413(D) HG3 :: 1.581(D) HD2 :: 1.682(D) HD3 :: 1.925(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 :: 121.250(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.62 I 0.27 M 0.06 K 0.03 HN Overlap>> 2.N16 2.N16 C Shift Assignments>> C :: 177.169(D) CA :: 58.898(D) CB :: 30.277(D) CG :: 37.309(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.660(D) HA :: 4.276(D) HB2 :: 2.250(D) HB3 :: 2.250(D) HG2 :: 2.037(D) HG3 :: 2.353(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 :: 116.755(D) Ave N Shift Values>> N :: 120.67(3.48) 2.S26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 2.T6 2.T6 C Shift Assignments>> C :: 177.177(D) CA :: 62.553(D) CB :: 62.632(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.659(D) HA :: 4.169(D) HB2 :: 3.738(D) HB3 :: 3.818(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 :: 114.369(D) Ave N Shift Values>> N :: 116.28(3.52) 2.L27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.93 I 0.05 C Shift Assignments>> C :: 180.394(D) CA :: 58.379(D) CB :: 40.787(D) CG :: 25.848(D) CD1 :: 21.773(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 :: 8.486(D) HA :: 4.039(D) HB2 :: 1.787(D) HB3 :: 1.417(D) HG :: 0.689(D) HD11 :: 0.852(D) HD12 :: 0.852(D) HD13 :: 0.852(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 :: 123.247(D) Ave N Shift Values>> N :: 121.86(3.9) 2.E28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.8 E 0.17 C Shift Assignments>> C :: 180.268(D) CA :: 59.795(D) CB :: 29.567(D) CG :: 38.477(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 :: 8.410(D) HA :: 4.069(D) HB2 :: 2.296(D) HB3 :: 2.026(D) HG2 :: 2.886(D) HG3 :: 2.341(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.672(D) Ave N Shift Values>> N :: 120.67(3.48) 2.L29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.78 R 0.18 K 0.01 HN Overlap>> 1.Q42 1.Q42 C Shift Assignments>> C :: 179.058(D) CA :: 57.093(D) CB :: 41.526(D) CG :: 27.031(D) CD1 :: 23.424(D) CD2 :: 27.068(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 :: 8.323(D) HA :: 3.865(D) HB2 :: 1.085(D) HB3 :: 1.741(D) HG :: 1.749(D) HD11 :: 0.447(D) HD12 :: 0.447(D) HD13 :: 0.447(D) HD21 :: 0.496(D) HD22 :: 0.496(D) HD23 :: 0.496(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 :: 119.445(D) Ave N Shift Values>> N :: 121.86(3.9) 2.M30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.99 C Shift Assignments>> C :: 178.224(D) CA :: 58.894(D) CB :: 31.981(D) CG :: 32.264(D) CE :: 17.346(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 :: 7.662(D) HA :: 4.002(D) HB2 :: 2.705(D) HB3 :: 2.515(D) HG2 :: 2.194(D) HG3 :: 2.114(D) HE1 :: 2.024(D) HE2 :: 2.024(D) HE3 :: 2.024(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 :: 118.025(D) Ave N Shift Values>> N :: 120.09(3.57) 2.E31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.59 K 0.12 I 0.1 Q 0.09 M 0.07 HN Overlap>> 1.M29 1.M29 C Shift Assignments>> C :: 176.954(D) CA :: 57.957(D) CB :: 29.809(D) CG :: 36.187(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 :: 7.235(D) HA :: 4.157(D) HB2 :: 2.130(D) HB3 :: 2.130(D) HG2 :: 2.390(D) HG3 :: 2.390(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 :: 115.784(D) Ave N Shift Values>> N :: 120.67(3.48) 2.L32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.84 R 0.14 G 0.01 HN Overlap>> 2.Q45 2.Q45 C Shift Assignments>> C :: 177.537(D) CA :: 54.748(D) CB :: 42.099(D) CG :: 27.458(D) CD1 :: 25.800(D) CD2 :: 22.551(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 :: 7.964(D) HA :: 4.308(D) HB2 :: 1.905(D) HB3 :: 1.905(D) HG :: 1.667(D) HD11 :: 0.895(D) HD12 :: 0.895(D) HD13 :: 0.895(D) HD21 :: 0.895(D) HD22 :: 0.895(D) HD23 :: 0.895(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 :: 117.445(D) Ave N Shift Values>> N :: 121.86(3.9) 2.V33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.47 P 0.2 K 0.07 R 0.06 H 0.04 E 0.04 M 0.04 Q 0.01 I 0.01 C Shift Assignments>> C :: 174.154(D) CA :: 61.225(D) CB :: 32.131(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 :: 7.375(D) HA :: 3.932(D) HB :: 2.038(D) HG11 :: 0.958(D) HG12 :: 0.958(D) HG13 :: 0.958(D) HG21 :: 0.958(D) HG22 :: 0.958(D) HG23 :: 0.958(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 :: 122.935(D) Ave N Shift Values>> N :: 121.14(4.54) 2.P34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.633(D) CA :: 63.358(D) CB :: 33.330(D) CG :: 27.975(D) CD :: 51.276(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 :: 4.393(D) HB2 :: 1.917(D) HB3 :: 2.490(D) HG2 :: 2.195(D) HG3 :: 2.105(D) HD2 :: 4.219(D) HD3 :: 3.564(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) 2.Q35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.42 R 0.18 K 0.15 L 0.07 P 0.04 Q 0.04 H 0.03 E 0.02 C Shift Assignments>> C :: 174.012(D) CA :: 60.076(D) CB :: 26.139(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 :: 8.993(D) HA :: 3.959(D) HB2 :: 2.279(D) HB3 :: 2.141(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 :: 125.241(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.P36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.719(D) CA :: 66.248(D) CB :: 31.154(D) CG :: 28.668(D) CD :: 50.402(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 :: 4.427(D) HB2 :: 2.415(D) HB3 :: 1.764(D) HG2 :: 2.016(D) HG3 :: 2.016(D) HD2 :: 3.821(D) HD3 :: 3.515(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) 2.L37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.96 R 0.02 C Shift Assignments>> C :: 178.871(D) CA :: 57.174(D) CB :: 41.264(D) CG :: 27.511(D) CD1 :: 24.993(D) CD2 :: 23.290(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 :: 7.220(D) HA :: 4.162(D) HB2 :: 1.204(D) HB3 :: 1.732(D) HG :: 1.571(D) HD11 :: 0.871(D) HD12 :: 0.871(D) HD13 :: 0.871(D) HD21 :: 0.761(D) HD22 :: 0.761(D) HD23 :: 0.761(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 :: 116.655(D) Ave N Shift Values>> N :: 121.86(3.9) 2.V38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 178.353(D) CA :: 67.124(D) CB :: 31.438(D) CG1 :: 22.511(D) CG2 :: 21.028(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 :: 7.465(D) HA :: 3.471(D) HB :: 2.220(D) HG11 :: 0.936(D) HG12 :: 0.936(D) HG13 :: 0.936(D) HG21 :: 0.936(D) HG22 :: 0.936(D) HG23 :: 0.936(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 :: 121.976(D) Ave N Shift Values>> N :: 121.14(4.54) 2.D39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.33 Y 0.31 L 0.1 D 0.09 I 0.09 K 0.03 N 0.01 C Shift Assignments>> C :: 179.398(D) CA :: 57.796(D) CB :: 40.198(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 :: 8.605(D) HA :: 4.365(D) HB2 :: 2.672(D) HB3 :: 2.672(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.845(D) Ave N Shift Values>> N :: 120.65(3.86) 2.S40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 179.406(D) CA :: 61.726(D) CB :: 62.897(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.817(D) HA :: 4.239(D) HB2 :: 3.980(D) HB3 :: 4.028(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 :: 115.275(D) Ave N Shift Values>> N :: 116.28(3.52) 2.Y41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 178.220(D) CA :: 61.719(D) CB :: 38.434(D) CD1 :: 133.170(D) CE1 :: 117.977(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 :: 8.247(D) HA :: 4.175(D) HB2 :: 3.291(D) HB3 :: 3.059(D) HD1 :: 7.085(D) HD2 :: 7.085(D) HE1 :: 6.801(D) HE2 :: 6.801(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.425(D) Ave N Shift Values>> N :: 120.52(4.2) 2.R42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.51 G 0.33 I 0.07 K 0.06 C Shift Assignments>> C :: 179.611(D) CA :: 60.458(D) CB :: 29.662(D) CD :: 43.719(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.731(D) HA :: 3.734(D) HB2 :: 1.791(D) HB3 :: 2.157(D) HD2 :: 3.185(D) HD3 :: 3.185(D) HE :: 7.364(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.750(D) NE :: 85.15(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.Q43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.37 K 0.35 E 0.11 R 0.08 I 0.04 M 0.02 HN Overlap>> 1.D3 1.Q45 1.D3 1.Q45 C Shift Assignments>> C :: 178.594(D) CA :: 58.813(D) CB :: 28.394(D) CG :: 34.014(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 :: 8.063(D) HA :: 4.078(D) HB2 :: 2.085(D) HB3 :: 1.918(D) HG2 :: 2.531(D) HG3 :: 2.410(D) HE21 :: 7.285(D) HE22 :: 6.765(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.346(D) NE2 :: 112.038(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.Q44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.37 K 0.34 E 0.13 R 0.08 I 0.03 M 0.02 C Shift Assignments>> C :: 178.597(D) CA :: 58.210(D) CB :: 28.396(D) CG :: 34.152(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 :: 7.900(D) HA :: 4.048(D) HB2 :: 2.142(D) HB3 :: 2.142(D) HG2 :: 2.512(D) HG3 :: 2.512(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.513(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.Q45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.38 K 0.36 R 0.12 E 0.06 M 0.04 I 0.01 HN Overlap>> 2.L32 2.L32 C Shift Assignments>> C :: 178.363(D) CA :: 57.369(D) CB :: 28.361(D) CG :: 33.617(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 :: 7.935(D) HA :: 3.869(D) HB2 :: 2.002(D) HB3 :: 2.002(D) HG2 :: 2.000(D) HG3 :: 2.000(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.373(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.Q46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.38 K 0.36 E 0.11 R 0.08 M 0.02 I 0.02 C Shift Assignments>> C :: 177.503(D) CA :: 57.852(D) CB :: 28.516(D) CG :: 34.000(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 :: 7.709(D) HA :: 4.142(D) HB2 :: 2.161(D) HB3 :: 2.161(D) HG2 :: 2.478(D) HG3 :: 2.478(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.243(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.L47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.91 R 0.06 G 0.01 C Shift Assignments>> C :: 177.835(D) CA :: 56.031(D) CB :: 42.078(D) CG :: 26.962(D) CD1 :: 25.189(D) CD2 :: 23.004(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 :: 7.484(D) HA :: 4.268(D) HB2 :: 1.780(D) HB3 :: 1.647(D) HG :: 1.750(D) HD11 :: 0.924(D) HD12 :: 0.924(D) HD13 :: 0.924(D) HD21 :: 0.924(D) HD22 :: 0.924(D) HD23 :: 0.924(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.586(D) Ave N Shift Values>> N :: 121.86(3.9) 2.L48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.91 R 0.06 G 0.02 C Shift Assignments>> C :: 177.207(D) CA :: 55.149(D) CB :: 42.380(D) CG :: 26.624(D) CD1 :: 25.299(D) CD2 :: 22.837(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 :: 7.532(D) HA :: 4.341(D) HB2 :: 1.755(D) HB3 :: 1.599(D) HG :: 1.731(D) HD11 :: 0.840(D) HD12 :: 0.840(D) HD13 :: 0.840(D) HD21 :: 0.840(D) HD22 :: 0.840(D) HD23 :: 0.840(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.753(D) Ave N Shift Values>> N :: 121.86(3.9) 2.Q49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.4 K 0.33 E 0.12 M 0.09 R 0.02 C Shift Assignments>> C :: 174.910(D) CA :: 56.161(D) CB :: 29.534(D) CG :: 34.003(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 :: 7.675(D) HA :: 4.359(D) HB2 :: 2.213(D) HB3 :: 2.051(D) HG2 :: 2.457(D) HG3 :: 2.457(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.878(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.R50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.69 K 0.18 G 0.12 C Shift Assignments>> C :: 180.825(D) CA :: 57.568(D) CB :: 31.701(D) CD :: 43.483(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.955(D) HA :: 4.140(D) HB2 :: 1.590(D) HB3 :: 1.756(D) HD2 :: 2.888(D) HD3 :: 2.861(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 127.959(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) ########################################################################### Overall Results: #Consistent: 1 #Clerical: 109 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 109 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 475 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 769 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 109 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.S1 C = 174.696(D), Expected = 174.62, Std = 1.7200, ChiSquare = 9.6476e-01 1.S1 CA = 59.385(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.4802e-01 1.S1 CB = 63.702(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.4721e-01 1.S1 HA = 4.455(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.5016e-01 1.S1 HB2 = 3.908(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.1082e-01 1.S1 HB3 = 3.908(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.2991e-01 1.D2 C = 175.828(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.4378e-01 1.D2 CA = 54.685(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.9803e-01 1.D2 CB = 40.974(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.5373e-01 1.D2 H = 8.555(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.7272e-01 1.D2 HA = 4.683(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.7134e-01 1.D2 HB2 = 2.759(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.8076e-01 1.D2 HB3 = 2.644(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.5443e-01 1.D2 N = 121.276(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.7117e-01 1.D3 C = 175.884(D), Expected = 176.40, Std = 1.7500, ChiSquare = 7.6810e-01 1.D3 CA = 54.119(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.7849e-01 1.D3 CB = 41.305(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.9305e-01 1.D3 H = 8.004(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.9779e-01 1.D3 HA = 4.580(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.7507e-01 1.D3 HB2 = 2.630(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.2923e-01 1.D3 HB3 = 2.630(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.1468e-01 1.D3 N = 119.296(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.2576e-01 1.E4 C = 174.979(D), Expected = 176.87, Std = 1.9500, ChiSquare = 3.3217e-01 1.E4 CA = 56.871(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.2990e-01 1.E4 CB = 30.780(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.5439e-01 1.E4 CG = 36.283(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.8441e-01 1.E4 H = 7.945(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1405e-01 1.E4 HA = 4.135(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.7910e-01 1.E4 HB2 = 1.959(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.7145e-01 1.E4 HB3 = 1.959(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.9278e-01 1.E4 HG2 = 2.181(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.7170e-01 1.E4 HG3 = 2.261(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.6012e-01 1.E4 N = 120.922(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.4227e-01 1.L5 C = 175.305(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.9476e-01 1.L5 CA = 54.871(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.2511e-01 1.L5 CB = 42.841(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.7760e-01 1.L5 CG = 27.198(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.0395e-01 1.L5 CD1 = 25.427(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.5657e-01 1.L5 CD2 = 24.146(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.5497e-01 1.L5 H = 8.042(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.7240e-01 1.L5 HA = 4.539(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.4125e-01 1.L5 HB2 = 1.487(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.1753e-01 1.L5 HB3 = 1.351(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.3875e-01 1.L5 HG = 1.290(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.0499e-01 1.L5 HD11 = 0.788(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9205e-01 1.L5 HD12 = 0.788(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9205e-01 1.L5 HD13 = 0.788(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.9205e-01 1.L5 HD21 = 0.689(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.8757e-01 1.L5 HD22 = 0.689(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.8757e-01 1.L5 HD23 = 0.689(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.8757e-01 1.L5 N = 124.551(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.9019e-01 1.L6 C = 174.919(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.9558e-01 1.L6 CA = 53.517(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.2348e-01 1.L6 CB = 45.589(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.1133e-02 1.L6 CG = 26.950(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.7718e-01 1.L6 CD1 = 24.896(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.1186e-01 1.L6 CD2 = 23.410(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.0657e-01 1.L6 H = 8.799(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.8136e-01 1.L6 HA = 4.512(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.8290e-01 1.L6 HB2 = 0.968(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.8995e-02 1.L6 HB3 = 1.274(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.9440e-01 1.L6 HD11 = 0.330(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3361e-01 1.L6 HD12 = 0.330(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3361e-01 1.L6 HD13 = 0.330(D), Expected = 0.75, Std = 0.2800, ChiSquare = 1.3361e-01 1.L6 HD21 = 0.514(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.5638e-01 1.L6 HD22 = 0.514(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.5638e-01 1.L6 HD23 = 0.514(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.5638e-01 1.L6 N = 127.945(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.1870e-01 1.Y7 C = 175.335(D), Expected = 175.40, Std = 1.9900, ChiSquare = 9.7394e-01 1.Y7 CA = 57.432(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.8094e-01 1.Y7 CB = 40.944(D), Expected = 39.32, Std = 2.1600, ChiSquare = 4.5214e-01 1.Y7 CD1 = 132.591(D), Expected = 132.77, Std = 1.1700, ChiSquare = 8.7841e-01 1.Y7 CE1 = 118.012(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.4506e-01 1.Y7 H = 8.583(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.1864e-01 1.Y7 HA = 5.157(D), Expected = 4.63, Std = 0.5600, ChiSquare = 3.4667e-01 1.Y7 HB2 = 2.840(D), Expected = 2.91, Std = 0.3700, ChiSquare = 8.4994e-01 1.Y7 HB3 = 2.617(D), Expected = 2.84, Std = 0.3900, ChiSquare = 5.6746e-01 1.Y7 HD1 = 6.845(D), Expected = 6.93, Std = 0.3000, ChiSquare = 7.7692e-01 1.Y7 HD2 = 6.845(D), Expected = 6.93, Std = 0.3000, ChiSquare = 7.7692e-01 1.Y7 HE1 = 6.743(D), Expected = 6.70, Std = 0.2300, ChiSquare = 8.5169e-01 1.Y7 HE2 = 6.743(D), Expected = 6.71, Std = 0.2300, ChiSquare = 8.8591e-01 1.Y7 N = 117.176(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.2592e-01 1.L8 C = 173.946(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.2420e-01 1.L8 CA = 51.618(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.0262e-02 1.L8 CB = 45.412(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8943e-02 1.L8 CD1 = 27.204(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.1823e-01 1.L8 CD2 = 25.251(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.7990e-01 1.L8 H = 9.308(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.7224e-02 1.L8 HA = 5.152(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.6692e-02 1.L8 HB2 = 2.014(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.3474e-01 1.L8 HB3 = 1.395(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.2842e-01 1.L8 HD11 = 0.589(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6529e-01 1.L8 HD12 = 0.589(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6529e-01 1.L8 HD13 = 0.589(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6529e-01 1.L8 HD21 = 0.662(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1461e-01 1.L8 HD22 = 0.662(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1461e-01 1.L8 HD23 = 0.662(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.1461e-01 1.L8 N = 128.094(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.0994e-01 1.P9 C = 176.758(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.9577e-01 1.P9 CA = 62.090(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.1462e-01 1.P9 CB = 31.873(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.8445e-01 1.P9 CG = 27.887(D), Expected = 27.17, Std = 1.0900, ChiSquare = 5.1067e-01 1.P9 CD = 51.406(D), Expected = 50.32, Std = 0.9900, ChiSquare = 2.7265e-01 1.P9 HA = 4.527(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.0035e-01 1.P9 HB2 = 1.757(D), Expected = 2.08, Std = 0.3500, ChiSquare = 3.5608e-01 1.P9 HB3 = 1.919(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.2198e-01 1.P9 HG2 = 2.163(D), Expected = 1.93, Std = 0.3100, ChiSquare = 4.5228e-01 1.P9 HG3 = 2.158(D), Expected = 1.90, Std = 0.3300, ChiSquare = 4.3432e-01 1.P9 HD2 = 3.864(D), Expected = 3.65, Std = 0.3500, ChiSquare = 5.4092e-01 1.P9 HD3 = 4.392(D), Expected = 3.61, Std = 0.3900, ChiSquare = 4.4949e-02 1.V10 C = 173.446(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.5254e-01 1.V10 CA = 61.618(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.6045e-01 1.V10 CB = 35.669(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.0061e-01 1.V10 CG1 = 22.539(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.4052e-01 1.V10 H = 9.193(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7773e-01 1.V10 HA = 4.209(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.7387e-01 1.V10 HB = 1.959(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.4768e-01 1.V10 HG11 = 0.914(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.4664e-01 1.V10 HG12 = 0.914(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.4664e-01 1.V10 HG13 = 0.914(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.4664e-01 1.V10 HG21 = 0.914(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8390e-01 1.V10 HG22 = 0.914(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8390e-01 1.V10 HG23 = 0.914(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.8390e-01 1.V10 N = 124.047(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.2197e-01 1.R11 C = 176.092(D), Expected = 176.41, Std = 2.0300, ChiSquare = 8.7552e-01 1.R11 CA = 55.367(D), Expected = 56.77, Std = 2.3100, ChiSquare = 5.4361e-01 1.R11 CB = 30.605(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.5860e-01 1.R11 CG = 27.566(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.6672e-01 1.R11 CD = 43.376(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.0610e-01 1.R11 H = 9.053(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.8260e-01 1.R11 HA = 4.699(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.8573e-01 1.R11 HB2 = 1.813(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.3211e-01 1.R11 HB3 = 1.632(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.4757e-01 1.R11 HG2 = 1.523(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.6181e-01 1.R11 HG3 = 1.523(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.5325e-01 1.R11 HD2 = 3.164(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.5454e-01 1.R11 HD3 = 3.164(D), Expected = 3.10, Std = 0.2600, ChiSquare = 8.0556e-01 1.R11 HE = 7.298(D), Expected = 7.40, Std = 0.6300, ChiSquare = 8.7138e-01 1.R11 N = 127.433(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.1475e-02 1.R11 NE = 84.80(D), Expected = 84.63, Std = 1.6800, ChiSquare = 9.1940e-01 1.G12 C = 173.823(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.8006e-01 1.G12 CA = 44.951(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.6589e-01 1.G12 H = 8.614(D), Expected = 8.33, Std = 0.6500, ChiSquare = 6.6217e-01 1.G12 HA2 = 4.507(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.4668e-01 1.G12 HA3 = 3.770(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.2532e-01 1.G12 N = 115.279(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.4724e-01 1.R13 C = 177.793(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.9569e-01 1.R13 CA = 59.204(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.9203e-01 1.R13 CB = 29.767(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.1017e-01 1.R13 CG = 27.031(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.8142e-01 1.R13 CD = 42.716(D), Expected = 43.16, Std = 0.8800, ChiSquare = 6.1388e-01 1.R13 H = 8.774(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.8135e-01 1.R13 HA = 3.852(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.3010e-01 1.R13 HB2 = 1.895(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.9736e-01 1.R13 HB3 = 1.895(D), Expected = 1.76, Std = 0.2800, ChiSquare = 6.2970e-01 1.R13 HG2 = 1.690(D), Expected = 1.57, Std = 0.2700, ChiSquare = 6.5672e-01 1.R13 HG3 = 1.690(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.0499e-01 1.R13 HD2 = 3.196(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.5150e-01 1.R13 HD3 = 3.196(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.1196e-01 1.R13 HE = 7.620(D), Expected = 7.40, Std = 0.6300, ChiSquare = 7.2693e-01 1.R13 N = 125.500(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.0154e-01 1.R13 NE = 83.99(D), Expected = 84.63, Std = 1.6800, ChiSquare = 7.0324e-01 1.E14 C = 179.794(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.3375e-01 1.E14 CA = 60.362(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4553e-01 1.E14 CB = 28.959(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.4117e-01 1.E14 CG = 36.906(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.0355e-01 1.E14 H = 8.888(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.4427e-01 1.E14 HA = 4.082(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.8198e-01 1.E14 HB2 = 2.037(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.3548e-01 1.E14 HB3 = 2.037(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.3808e-01 1.E14 HG2 = 2.306(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.6389e-01 1.E14 HG3 = 2.306(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.9907e-01 1.E14 N = 119.254(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.8408e-01 1.T15 C = 175.457(D), Expected = 174.54, Std = 1.7600, ChiSquare = 6.0235e-01 1.T15 CA = 66.498(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.8588e-02 1.T15 CB = 67.813(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.3957e-01 1.T15 CG2 = 23.072(D), Expected = 21.55, Std = 1.1100, ChiSquare = 1.7032e-01 1.T15 H = 7.958(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.4923e-01 1.T15 HA = 3.784(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.5903e-01 1.T15 HB = 4.058(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.3431e-01 1.T15 HG21 = 1.188(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3469e-01 1.T15 HG22 = 1.188(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3469e-01 1.T15 HG23 = 1.188(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3469e-01 1.T15 N = 117.699(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.3138e-01 1.Y16 C = 175.895(D), Expected = 175.40, Std = 1.9900, ChiSquare = 8.0356e-01 1.Y16 CA = 63.096(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.7874e-02 1.Y16 CB = 39.224(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.6455e-01 1.Y16 CD1 = 133.116(D), Expected = 132.77, Std = 1.1700, ChiSquare = 7.6744e-01 1.Y16 CE1 = 118.368(D), Expected = 117.93, Std = 1.1900, ChiSquare = 7.1282e-01 1.Y16 H = 8.042(D), Expected = 8.32, Std = 0.7300, ChiSquare = 7.0334e-01 1.Y16 HA = 3.742(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.1280e-01 1.Y16 HB2 = 3.237(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.7681e-01 1.Y16 HB3 = 2.820(D), Expected = 2.84, Std = 0.3900, ChiSquare = 9.5910e-01 1.Y16 HD1 = 6.777(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.1005e-01 1.Y16 HD2 = 6.777(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.1005e-01 1.Y16 HE1 = 6.677(D), Expected = 6.70, Std = 0.2300, ChiSquare = 9.2034e-01 1.Y16 HE2 = 6.677(D), Expected = 6.71, Std = 0.2300, ChiSquare = 8.8591e-01 1.Y16 N = 122.365(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.6045e-01 1.E17 C = 179.448(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.8615e-01 1.E17 CA = 59.879(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.2080e-01 1.E17 CB = 29.245(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.5649e-01 1.E17 CG = 37.199(D), Expected = 36.11, Std = 1.1900, ChiSquare = 3.6013e-01 1.E17 H = 8.713(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.1624e-01 1.E17 HA = 3.827(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.0221e-01 1.E17 HB2 = 2.124(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.2043e-01 1.E17 HB3 = 2.124(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.6016e-01 1.E17 HG2 = 2.684(D), Expected = 2.27, Std = 0.2100, ChiSquare = 4.8675e-02 1.E17 HG3 = 2.426(D), Expected = 2.25, Std = 0.2200, ChiSquare = 4.2371e-01 1.E17 N = 116.940(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.8379e-01 1.M18 C = 178.050(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.7093e-01 1.M18 CA = 58.815(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.2513e-01 1.M18 CB = 32.736(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.0972e-01 1.M18 CE = 18.011(D), Expected = 17.07, Std = 1.5800, ChiSquare = 5.5146e-01 1.M18 H = 7.505(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.0827e-01 1.M18 HA = 4.291(D), Expected = 4.41, Std = 0.4800, ChiSquare = 8.0420e-01 1.M18 HB2 = 2.575(D), Expected = 2.03, Std = 0.3400, ChiSquare = 1.0895e-01 1.M18 HB3 = 2.421(D), Expected = 1.99, Std = 0.3400, ChiSquare = 2.0492e-01 1.M18 HG2 = 2.219(D), Expected = 2.42, Std = 0.3500, ChiSquare = 5.6577e-01 1.M18 HG3 = 2.219(D), Expected = 2.39, Std = 0.3800, ChiSquare = 6.5271e-01 1.M18 HE1 = 2.013(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.8917e-01 1.M18 HE2 = 2.013(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.8917e-01 1.M18 HE3 = 2.013(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.8917e-01 1.M18 N = 118.965(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.5267e-01 1.L19 C = 178.443(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.6305e-01 1.L19 CA = 57.561(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.6215e-01 1.L19 CB = 41.755(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.6783e-01 1.L19 CG = 27.231(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.8181e-01 1.L19 CD1 = 22.993(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.7741e-01 1.L19 H = 8.151(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.0326e-01 1.L19 HA = 3.823(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.9031e-01 1.L19 HB2 = 1.066(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.0960e-01 1.L19 HB3 = 1.787(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.5829e-01 1.L19 HG = 1.442(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.3674e-01 1.L19 HD11 = 0.670(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L19 HD12 = 0.670(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L19 HD13 = 0.670(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L19 HD21 = 0.670(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3609e-01 1.L19 HD22 = 0.670(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3609e-01 1.L19 HD23 = 0.670(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3609e-01 1.L19 N = 117.499(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.6348e-01 1.L20 C = 178.475(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.5325e-01 1.L20 CA = 58.702(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4791e-01 1.L20 CB = 41.865(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.1289e-01 1.L20 CG = 26.812(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.7679e-01 1.L20 CD1 = 24.962(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.7903e-01 1.L20 H = 8.649(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1918e-01 1.L20 HA = 3.764(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.3682e-01 1.L20 HB2 = 1.247(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.8568e-01 1.L20 HB3 = 1.247(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.4825e-01 1.L20 HG = 1.430(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.0845e-01 1.L20 HD11 = 0.846(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.3171e-01 1.L20 HD12 = 0.846(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.3171e-01 1.L20 HD13 = 0.846(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.3171e-01 1.L20 HD21 = 0.846(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8916e-01 1.L20 HD22 = 0.846(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8916e-01 1.L20 HD23 = 0.846(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.8916e-01 1.L20 N = 120.873(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.0021e-01 1.E21 C = 179.572(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.6586e-01 1.E21 CA = 59.700(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.5480e-01 1.E21 CB = 29.294(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.7721e-01 1.E21 CG = 35.703(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.3234e-01 1.E21 H = 7.379(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.0699e-01 1.E21 HA = 4.061(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.4482e-01 1.E21 HB2 = 2.069(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.1550e-01 1.E21 HB3 = 2.179(D), Expected = 1.99, Std = 0.2300, ChiSquare = 4.1123e-01 1.E21 HG2 = 2.208(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.6781e-01 1.E21 HG3 = 2.436(D), Expected = 2.25, Std = 0.2200, ChiSquare = 3.9786e-01 1.E21 N = 118.433(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.2034e-01 1.I22 C = 177.909(D), Expected = 175.85, Std = 1.9200, ChiSquare = 2.8354e-01 1.I22 CA = 64.520(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.7756e-01 1.I22 CB = 37.912(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.2226e-01 1.I22 CG1 = 28.189(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.7555e-01 1.I22 CG2 = 18.339(D), Expected = 17.53, Std = 1.3600, ChiSquare = 5.5194e-01 1.I22 CD1 = 13.936(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.6189e-01 1.I22 H = 7.649(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.5344e-01 1.I22 HA = 3.715(D), Expected = 4.18, Std = 0.5600, ChiSquare = 4.0634e-01 1.I22 HB = 1.807(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.2582e-01 1.I22 HG12 = 1.728(D), Expected = 1.28, Std = 0.4000, ChiSquare = 2.6271e-01 1.I22 HG13 = 1.136(D), Expected = 1.19, Std = 0.4100, ChiSquare = 8.9522e-01 1.I22 HG21 = 0.784(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.5865e-01 1.I22 HG22 = 0.784(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.5865e-01 1.I22 HG23 = 0.784(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.5865e-01 1.I22 HD11 = 0.746(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.1997e-01 1.I22 HD12 = 0.746(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.1997e-01 1.I22 HD13 = 0.746(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.1997e-01 1.I22 N = 116.978(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.9501e-01 1.K23 C = 177.322(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.3310e-01 1.K23 CA = 60.543(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.0243e-01 1.K23 CB = 32.495(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.6837e-01 1.K23 CG = 25.116(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.4148e-01 1.K23 CD = 29.918(D), Expected = 28.96, Std = 1.0800, ChiSquare = 3.7506e-01 1.K23 CE = 42.419(D), Expected = 41.89, Std = 0.8200, ChiSquare = 5.1885e-01 1.K23 H = 9.094(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.3190e-01 1.K23 HA = 3.708(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.0151e-01 1.K23 HB2 = 2.042(D), Expected = 1.78, Std = 0.2500, ChiSquare = 2.9464e-01 1.K23 HB3 = 2.042(D), Expected = 1.74, Std = 0.2700, ChiSquare = 2.6335e-01 1.K23 HG2 = 1.468(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.0623e-01 1.K23 HG3 = 1.468(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.7344e-01 1.K23 HD2 = 1.866(D), Expected = 1.61, Std = 0.2200, ChiSquare = 2.4457e-01 1.K23 HD3 = 1.477(D), Expected = 1.60, Std = 0.2200, ChiSquare = 5.7610e-01 1.K23 HE2 = 2.979(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.5616e-01 1.K23 HE3 = 2.979(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.3009e-01 1.K23 N = 122.631(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.7495e-01 1.E24 C = 177.755(D), Expected = 176.87, Std = 1.9500, ChiSquare = 6.4994e-01 1.E24 CA = 59.767(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.4167e-01 1.E24 CB = 29.767(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.8765e-01 1.E24 CG = 37.220(D), Expected = 36.11, Std = 1.1900, ChiSquare = 3.5094e-01 1.E24 H = 8.320(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.8648e-01 1.E24 HA = 4.241(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.8249e-01 1.E24 HB2 = 2.261(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.5113e-01 1.E24 HB3 = 2.261(D), Expected = 1.99, Std = 0.2300, ChiSquare = 2.3869e-01 1.E24 HG2 = 2.252(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.3169e-01 1.E24 HG3 = 2.562(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.5614e-01 1.E24 N = 117.756(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.0239e-01 1.S25 C = 175.840(D), Expected = 174.62, Std = 1.7200, ChiSquare = 4.7814e-01 1.S25 CA = 62.272(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.6173e-02 1.S25 CB = 63.277(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.2380e-01 1.S25 H = 7.425(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.4729e-01 1.S25 HA = 4.174(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.4427e-01 1.S25 HB2 = 3.973(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.0989e-01 1.S25 HB3 = 3.767(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.5853e-01 1.S25 N = 114.010(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.1900e-01 1.L26 C = 180.418(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.3396e-02 1.L26 CA = 57.999(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.6404e-01 1.L26 CB = 42.710(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.3151e-01 1.L26 CG = 26.763(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.8767e-01 1.L26 CD1 = 22.608(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.8408e-01 1.L26 H = 7.625(D), Expected = 8.23, Std = 0.6500, ChiSquare = 3.5197e-01 1.L26 HA = 4.045(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.5848e-01 1.L26 HB2 = 1.481(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.0438e-01 1.L26 HB3 = 1.481(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.1373e-01 1.L26 HG = 1.821(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.4598e-01 1.L26 HD11 = 0.855(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0766e-01 1.L26 HD12 = 0.855(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0766e-01 1.L26 HD13 = 0.855(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0766e-01 1.L26 N = 122.202(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.3012e-01 1.E27 C = 180.128(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.4767e-02 1.E27 CA = 59.636(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.6780e-01 1.E27 CB = 29.557(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9226e-01 1.E27 CG = 38.354(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.9334e-02 1.E27 H = 8.593(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.5577e-01 1.E27 HA = 4.079(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.7662e-01 1.E27 HG2 = 2.789(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.3457e-02 1.E27 HG3 = 2.346(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.6257e-01 1.E27 N = 118.591(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.5023e-01 1.L28 C = 178.567(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.2576e-01 1.L28 CA = 57.289(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.3329e-01 1.L28 CB = 41.847(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.0547e-01 1.L28 CD1 = 26.940(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.6265e-01 1.L28 CD2 = 23.989(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.7138e-01 1.L28 H = 8.468(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.1425e-01 1.L28 HA = 3.967(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.5261e-01 1.L28 HB2 = 1.817(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.4264e-01 1.L28 HB3 = 1.227(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.1571e-01 1.L28 HD11 = 0.657(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.3978e-01 1.L28 HD12 = 0.657(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.3978e-01 1.L28 HD13 = 0.657(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.3978e-01 1.L28 HD21 = 0.469(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6812e-01 1.L28 HD22 = 0.469(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6812e-01 1.L28 HD23 = 0.469(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.6812e-01 1.L28 N = 119.793(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9611e-01 1.M29 C = 177.907(D), Expected = 176.18, Std = 2.0900, ChiSquare = 4.0863e-01 1.M29 CA = 58.463(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.9135e-01 1.M29 CB = 33.047(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.7970e-01 1.M29 CG = 31.955(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.6462e-01 1.M29 CE = 17.262(D), Expected = 17.07, Std = 1.5800, ChiSquare = 9.0328e-01 1.M29 H = 7.279(D), Expected = 8.26, Std = 0.6000, ChiSquare = 1.0205e-01 1.M29 HA = 3.928(D), Expected = 4.41, Std = 0.4800, ChiSquare = 3.1530e-01 1.M29 HB2 = 2.098(D), Expected = 2.03, Std = 0.3400, ChiSquare = 8.4148e-01 1.M29 HB3 = 2.012(D), Expected = 1.99, Std = 0.3400, ChiSquare = 9.4841e-01 1.M29 HG2 = 2.587(D), Expected = 2.42, Std = 0.3500, ChiSquare = 6.3326e-01 1.M29 HG3 = 2.688(D), Expected = 2.39, Std = 0.3800, ChiSquare = 4.3292e-01 1.M29 HE1 = 1.943(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.0827e-01 1.M29 HE2 = 1.943(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.0827e-01 1.M29 HE3 = 1.943(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.0827e-01 1.M29 N = 115.804(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.2992e-01 1.Q30 C = 176.520(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.1424e-01 1.Q30 CA = 56.935(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.6457e-01 1.Q30 CB = 28.342(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.4126e-01 1.Q30 CG = 33.415(D), Expected = 33.76, Std = 1.1100, ChiSquare = 7.5594e-01 1.Q30 H = 7.138(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.6669e-02 1.Q30 HA = 4.120(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.3317e-01 1.Q30 HB2 = 1.969(D), Expected = 2.05, Std = 0.2500, ChiSquare = 7.4594e-01 1.Q30 HB3 = 1.881(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.1959e-01 1.Q30 HG2 = 2.253(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.0402e-01 1.Q30 HG3 = 2.253(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.9848e-01 1.Q30 N = 114.048(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.0464e-01 1.Y31 C = 176.095(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.2690e-01 1.Y31 CA = 58.425(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.0644e-01 1.Y31 CB = 38.492(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.0147e-01 1.Y31 CD1 = 133.087(D), Expected = 132.77, Std = 1.1700, ChiSquare = 7.8644e-01 1.Y31 H = 7.764(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.4627e-01 1.Y31 HA = 4.483(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.9294e-01 1.Y31 HB2 = 3.313(D), Expected = 2.91, Std = 0.3700, ChiSquare = 2.7607e-01 1.Y31 HB3 = 2.928(D), Expected = 2.84, Std = 0.3900, ChiSquare = 8.2148e-01 1.Y31 HD1 = 7.258(D), Expected = 6.93, Std = 0.3000, ChiSquare = 2.7425e-01 1.Y31 HD2 = 7.258(D), Expected = 6.93, Std = 0.3000, ChiSquare = 2.7425e-01 1.Y31 HE1 = 6.796(D), Expected = 6.70, Std = 0.2300, ChiSquare = 6.7639e-01 1.Y31 HE2 = 6.796(D), Expected = 6.71, Std = 0.2300, ChiSquare = 7.0847e-01 1.Y31 N = 117.000(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.0198e-01 1.L32 C = 174.141(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.5018e-01 1.L32 CA = 52.337(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.2324e-01 1.L32 CB = 42.269(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.8260e-01 1.L32 CG = 27.404(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.7053e-01 1.L32 H = 7.368(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8479e-01 1.L32 HA = 2.906(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.6253e-03 1.L32 HB2 = 1.920(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.6189e-01 1.L32 HB3 = 1.920(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.6652e-01 1.L32 HG = 0.871(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.2823e-02 1.L32 N = 120.517(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.3058e-01 1.P33 CD = 50.551(D), Expected = 50.32, Std = 0.9900, ChiSquare = 8.1550e-01 1.P33 HD2 = 3.520(D), Expected = 3.65, Std = 0.3500, ChiSquare = 7.1032e-01 1.P33 HD3 = 4.007(D), Expected = 3.61, Std = 0.3900, ChiSquare = 3.0870e-01 1.Q34 CB = 32.286(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.8924e-02 1.Q34 HA = 4.547(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.2899e-01 1.Q34 HB2 = 2.429(D), Expected = 2.05, Std = 0.2500, ChiSquare = 1.2952e-01 1.Q34 HB3 = 1.806(D), Expected = 2.02, Std = 0.2800, ChiSquare = 4.4470e-01 1.H35 C = 177.836(D), Expected = 175.25, Std = 1.9700, ChiSquare = 1.8929e-01 1.H35 CA = 59.366(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.1794e-01 1.H35 CB = 29.512(D), Expected = 30.24, Std = 2.0700, ChiSquare = 7.2507e-01 1.H35 CD2 = 120.025(D), Expected = 120.49, Std = 3.4200, ChiSquare = 8.9185e-01 1.H35 CE1 = 138.550(D), Expected = 137.71, Std = 2.1200, ChiSquare = 6.9194e-01 1.H35 H = 8.869(D), Expected = 8.24, Std = 0.6800, ChiSquare = 3.5497e-01 1.H35 HA = 4.472(D), Expected = 4.61, Std = 0.4300, ChiSquare = 7.4826e-01 1.H35 HB2 = 3.298(D), Expected = 3.10, Std = 0.3600, ChiSquare = 5.8232e-01 1.H35 HB3 = 3.115(D), Expected = 3.04, Std = 0.3800, ChiSquare = 8.4354e-01 1.H35 HD2 = 7.146(D), Expected = 7.00, Std = 0.4300, ChiSquare = 7.3421e-01 1.H35 HE1 = 7.927(D), Expected = 7.95, Std = 0.4800, ChiSquare = 9.6178e-01 1.H35 N = 124.090(D), Expected = 119.69, Std = 4.0000, ChiSquare = 2.7133e-01 1.T36 C = 176.029(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.9754e-01 1.T36 CA = 66.606(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0372e-02 1.T36 CB = 68.598(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.8738e-01 1.T36 CG2 = 22.866(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.3579e-01 1.T36 H = 7.138(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.5499e-02 1.T36 HA = 3.946(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.8424e-01 1.T36 HB = 4.157(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.6858e-01 1.T36 HG21 = 1.251(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.2937e-01 1.T36 HG22 = 1.251(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.2937e-01 1.T36 HG23 = 1.251(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.2937e-01 1.T36 N = 119.182(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.2836e-01 1.I37 C = 177.685(D), Expected = 175.85, Std = 1.9200, ChiSquare = 3.3921e-01 1.I37 CA = 65.667(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3007e-01 1.I37 CB = 38.204(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.3297e-01 1.I37 CG1 = 29.223(D), Expected = 27.71, Std = 1.6800, ChiSquare = 3.6780e-01 1.I37 CG2 = 16.687(D), Expected = 17.53, Std = 1.3600, ChiSquare = 5.3535e-01 1.I37 CD1 = 13.468(D), Expected = 13.43, Std = 1.6700, ChiSquare = 9.8185e-01 1.I37 H = 7.193(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.0993e-01 1.I37 HA = 3.562(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.6978e-01 1.I37 HB = 1.917(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.3663e-01 1.I37 HG12 = 0.897(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.3832e-01 1.I37 HG13 = 1.513(D), Expected = 1.19, Std = 0.4100, ChiSquare = 4.3081e-01 1.I37 HG21 = 0.812(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7638e-01 1.I37 HG22 = 0.812(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7638e-01 1.I37 HG23 = 0.812(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.7638e-01 1.I37 HD11 = 0.823(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2194e-01 1.I37 HD12 = 0.823(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2194e-01 1.I37 HD13 = 0.823(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.2194e-01 1.I37 N = 122.903(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.3600e-01 1.E38 C = 179.575(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.6539e-01 1.E38 CA = 59.745(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.4593e-01 1.E38 CB = 29.441(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.4078e-01 1.E38 CG = 36.448(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.7638e-01 1.E38 H = 8.578(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.7424e-01 1.E38 HA = 4.049(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.2396e-01 1.E38 HB2 = 2.098(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.1032e-01 1.E38 HB3 = 2.098(D), Expected = 1.99, Std = 0.2300, ChiSquare = 6.3867e-01 1.E38 HG2 = 2.410(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.0499e-01 1.E38 HG3 = 2.341(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.7914e-01 1.E38 N = 118.719(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.7505e-01 1.T39 C = 176.203(D), Expected = 174.54, Std = 1.7600, ChiSquare = 3.4472e-01 1.T39 CA = 66.989(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.5576e-02 1.T39 CB = 68.845(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.8717e-01 1.T39 CG2 = 21.508(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.6982e-01 1.T39 H = 8.124(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.5158e-01 1.T39 HA = 3.936(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.7498e-01 1.T39 HB = 4.264(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.7576e-01 1.T39 HG21 = 1.245(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.4801e-01 1.T39 HG22 = 1.245(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.4801e-01 1.T39 HG23 = 1.245(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.4801e-01 1.T39 N = 116.297(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.5352e-01 1.Y40 C = 178.058(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.8165e-01 1.Y40 CA = 61.902(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.3289e-01 1.Y40 CB = 38.583(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.3295e-01 1.Y40 CD1 = 133.346(D), Expected = 132.77, Std = 1.1700, ChiSquare = 6.2250e-01 1.Y40 CE1 = 118.182(D), Expected = 117.93, Std = 1.1900, ChiSquare = 8.3229e-01 1.Y40 H = 7.730(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.1896e-01 1.Y40 HA = 4.223(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.6736e-01 1.Y40 HB2 = 3.329(D), Expected = 2.91, Std = 0.3700, ChiSquare = 2.5745e-01 1.Y40 HB3 = 3.094(D), Expected = 2.84, Std = 0.3900, ChiSquare = 5.1486e-01 1.Y40 HD1 = 7.059(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.6720e-01 1.Y40 HD2 = 7.059(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.6720e-01 1.Y40 HE1 = 6.793(D), Expected = 6.70, Std = 0.2300, ChiSquare = 6.8596e-01 1.Y40 HE2 = 6.793(D), Expected = 6.71, Std = 0.2300, ChiSquare = 7.1820e-01 1.Y40 N = 123.453(D), Expected = 120.52, Std = 4.2000, ChiSquare = 4.8497e-01 1.R41 C = 179.552(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.2167e-01 1.R41 CA = 60.487(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.0760e-01 1.R41 CB = 30.078(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.3394e-01 1.R41 CG = 29.165(D), Expected = 27.21, Std = 1.2000, ChiSquare = 1.0328e-01 1.R41 CD = 43.879(D), Expected = 43.16, Std = 0.8800, ChiSquare = 4.1390e-01 1.R41 H = 8.635(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.1728e-01 1.R41 HA = 3.802(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.7898e-01 1.R41 HB2 = 1.950(D), Expected = 1.79, Std = 0.2700, ChiSquare = 5.5345e-01 1.R41 HB3 = 1.950(D), Expected = 1.76, Std = 0.2800, ChiSquare = 4.9741e-01 1.R41 HG2 = 1.782(D), Expected = 1.57, Std = 0.2700, ChiSquare = 4.3235e-01 1.R41 HG3 = 1.782(D), Expected = 1.54, Std = 0.2900, ChiSquare = 4.0401e-01 1.R41 HD2 = 3.051(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.7373e-01 1.R41 HD3 = 3.051(D), Expected = 3.10, Std = 0.2600, ChiSquare = 8.5051e-01 1.R41 HE = 8.491(D), Expected = 7.40, Std = 0.6300, ChiSquare = 8.3319e-02 1.R41 N = 119.944(D), Expected = 120.80, Std = 3.6800, ChiSquare = 8.1607e-01 1.R41 NE = 86.84(D), Expected = 84.63, Std = 1.6800, ChiSquare = 1.8835e-01 1.Q42 C = 178.700(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.2033e-01 1.Q42 CA = 58.828(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.9136e-01 1.Q42 CB = 28.352(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.4520e-01 1.Q42 CG = 33.973(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.4783e-01 1.Q42 H = 8.225(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.9324e-01 1.Q42 HA = 4.083(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.7084e-01 1.Q42 HG2 = 2.568(D), Expected = 2.32, Std = 0.2700, ChiSquare = 3.5835e-01 1.Q42 HG3 = 2.365(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.9593e-01 1.Q42 N = 119.455(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.0382e-01 1.Q43 C = 178.664(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.2736e-01 1.Q43 CA = 58.347(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.0633e-01 1.Q43 CB = 28.179(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.7856e-01 1.Q43 CG = 34.038(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.0224e-01 1.Q43 H = 7.894(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.8058e-01 1.Q43 HA = 4.088(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.7914e-01 1.Q43 HG2 = 2.565(D), Expected = 2.32, Std = 0.2700, ChiSquare = 3.6419e-01 1.Q43 HG3 = 2.370(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.8265e-01 1.Q43 N = 118.905(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.8438e-01 1.Q44 C = 178.320(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.0265e-01 1.Q44 CA = 57.285(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3829e-01 1.Q44 CB = 28.161(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.7181e-01 1.Q44 CG = 33.561(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.5772e-01 1.Q44 H = 8.034(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.5257e-01 1.Q44 HA = 3.947(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.6289e-01 1.Q44 HG2 = 2.027(D), Expected = 2.32, Std = 0.2700, ChiSquare = 2.7784e-01 1.Q44 HG3 = 2.027(D), Expected = 2.29, Std = 0.2900, ChiSquare = 3.6446e-01 1.Q44 N = 117.762(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.5445e-01 1.Q45 C = 177.742(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.6273e-01 1.Q45 CA = 58.171(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.5438e-01 1.Q45 CB = 28.493(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.0174e-01 1.Q45 CG = 33.959(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.5772e-01 1.Q45 H = 7.997(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.0546e-01 1.Q45 HA = 4.191(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.5751e-01 1.Q45 HB2 = 2.196(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.5922e-01 1.Q45 HB3 = 2.196(D), Expected = 2.02, Std = 0.2800, ChiSquare = 5.2963e-01 1.Q45 HG2 = 2.475(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.6592e-01 1.Q45 HG3 = 2.475(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.2352e-01 1.Q45 N = 119.382(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.8778e-01 1.Q46 C = 177.540(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.2819e-01 1.Q46 CA = 57.685(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.0235e-01 1.Q46 CB = 28.743(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.0599e-01 1.Q46 CG = 34.010(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.2180e-01 1.Q46 H = 7.870(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.5303e-01 1.Q46 HA = 4.196(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.6644e-01 1.Q46 HB2 = 2.143(D), Expected = 2.05, Std = 0.2500, ChiSquare = 7.0989e-01 1.Q46 HB3 = 2.143(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.6045e-01 1.Q46 HG2 = 2.452(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.2492e-01 1.Q46 HG3 = 2.452(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.7642e-01 1.Q46 N = 118.664(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.3344e-01 1.Q47 C = 177.073(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.9559e-01 1.Q47 CA = 57.328(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.2318e-01 1.Q47 CB = 28.925(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.8423e-01 1.Q47 H = 8.043(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.6418e-01 1.Q47 N = 118.622(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.2467e-01 1.H48 C = 176.277(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.0214e-01 1.H48 CA = 57.913(D), Expected = 56.52, Std = 2.3100, ChiSquare = 5.4649e-01 1.H48 CB = 30.219(D), Expected = 30.24, Std = 2.0700, ChiSquare = 9.9191e-01 1.H48 CD2 = 121.459(D), Expected = 120.49, Std = 3.4200, ChiSquare = 7.7692e-01 1.H48 HA = 4.573(D), Expected = 4.61, Std = 0.4300, ChiSquare = 9.3143e-01 1.H48 HB2 = 3.184(D), Expected = 3.10, Std = 0.3600, ChiSquare = 8.1550e-01 1.H48 HB3 = 3.300(D), Expected = 3.04, Std = 0.3800, ChiSquare = 4.9384e-01 1.H48 HD2 = 7.207(D), Expected = 7.00, Std = 0.4300, ChiSquare = 6.3024e-01 1.Q49 C = 176.896(D), Expected = 176.31, Std = 1.9500, ChiSquare = 7.6379e-01 1.Q49 CA = 57.545(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.4867e-01 1.Q49 CB = 28.874(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.6216e-01 1.Q49 CG = 33.945(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.6763e-01 1.Q49 H = 8.117(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.6141e-01 1.Q49 HA = 4.215(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.0052e-01 1.Q49 HB2 = 2.093(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.6344e-01 1.Q49 HB3 = 2.093(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.9431e-01 1.Q49 HG2 = 2.385(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.0976e-01 1.Q49 HG3 = 2.385(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.4322e-01 1.Q49 N = 119.554(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.2564e-01 1.H50 C = 176.265(D), Expected = 175.25, Std = 1.9700, ChiSquare = 6.0639e-01 1.H50 CA = 57.300(D), Expected = 56.52, Std = 2.3100, ChiSquare = 7.3562e-01 1.H50 CB = 30.189(D), Expected = 30.24, Std = 2.0700, ChiSquare = 9.8034e-01 1.H50 CD2 = 120.038(D), Expected = 120.49, Std = 3.4200, ChiSquare = 8.9485e-01 1.H50 H = 8.138(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.8076e-01 1.H50 HA = 4.548(D), Expected = 4.61, Std = 0.4300, ChiSquare = 8.8535e-01 1.H50 HB2 = 3.148(D), Expected = 3.10, Std = 0.3600, ChiSquare = 8.9393e-01 1.H50 HB3 = 3.148(D), Expected = 3.04, Std = 0.3800, ChiSquare = 7.7625e-01 1.H50 HD2 = 7.035(D), Expected = 7.00, Std = 0.4300, ChiSquare = 9.3513e-01 1.H50 N = 118.665(D), Expected = 119.69, Std = 4.0000, ChiSquare = 7.9776e-01 1.L51 C = 177.627(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.4767e-01 1.L51 CA = 56.203(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.8431e-01 1.L51 CB = 42.144(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.2964e-01 1.L51 CG = 26.996(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.4433e-01 1.L51 CD1 = 25.037(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.4197e-01 1.L51 CD2 = 23.883(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.2175e-01 1.L51 H = 7.809(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1718e-01 1.L51 HA = 4.170(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.4961e-01 1.L51 HB2 = 1.629(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.5544e-01 1.L51 HB3 = 1.629(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.6206e-01 1.L51 HG = 1.458(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.7479e-01 1.L51 HD11 = 0.822(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9707e-01 1.L51 HD12 = 0.822(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9707e-01 1.L51 HD13 = 0.822(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9707e-01 1.L51 HD21 = 0.822(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5106e-01 1.L51 HD22 = 0.822(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5106e-01 1.L51 HD23 = 0.822(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.5106e-01 1.L51 N = 121.208(D), Expected = 121.86, Std = 3.9000, ChiSquare = 8.6723e-01 1.L52 C = 177.799(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.8284e-01 1.L52 CA = 55.993(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.6099e-01 1.L52 CB = 42.118(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1866e-01 1.L52 CG = 26.999(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.4219e-01 1.L52 CD1 = 25.008(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.5626e-01 1.L52 CD2 = 23.567(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.7632e-01 1.L52 H = 7.924(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.3781e-01 1.L52 HA = 4.178(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.6255e-01 1.L52 HB2 = 1.564(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.9238e-01 1.L52 HB3 = 1.564(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.0272e-01 1.L52 HG = 1.562(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.7479e-01 1.L52 HD11 = 0.830(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L52 HD12 = 0.830(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L52 HD13 = 0.830(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.7510e-01 1.L52 HD21 = 0.830(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3022e-01 1.L52 HD22 = 0.830(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3022e-01 1.L52 HD23 = 0.830(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3022e-01 1.L52 N = 120.700(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.6613e-01 1.Q53 C = 176.327(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.9304e-01 1.Q53 CA = 56.492(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.7092e-01 1.Q53 CB = 29.202(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.9474e-01 1.Q53 CG = 33.904(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.9678e-01 1.Q53 H = 7.986(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.9165e-01 1.Q53 HA = 4.215(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.0052e-01 1.Q53 HB2 = 2.086(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.8550e-01 1.Q53 HB3 = 2.013(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.8006e-01 1.Q53 HG2 = 2.352(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.0566e-01 1.Q53 HG3 = 2.352(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.3071e-01 1.Q53 N = 119.631(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.4265e-01 1.K54 C = 176.812(D), Expected = 176.64, Std = 2.0000, ChiSquare = 9.3147e-01 1.K54 CA = 56.680(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.0232e-01 1.K54 CB = 32.898(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.5162e-01 1.K54 CG = 24.731(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.8810e-01 1.K54 CD = 29.071(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.1814e-01 1.K54 CE = 42.176(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.2725e-01 1.K54 H = 8.053(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.1939e-01 1.K54 HA = 4.227(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.2215e-01 1.K54 HB2 = 1.795(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.5216e-01 1.K54 HB3 = 1.735(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.8523e-01 1.K54 HG2 = 1.404(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.9596e-01 1.K54 HG3 = 1.358(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.7721e-01 1.K54 HD2 = 1.622(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.5650e-01 1.K54 HD3 = 1.622(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.2034e-01 1.K54 HE2 = 2.931(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.5383e-01 1.K54 HE3 = 2.931(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.1638e-01 1.K54 N = 121.278(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.5178e-01 1.Q55 C = 176.291(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.9223e-01 1.Q55 CA = 56.199(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.6237e-01 1.Q55 CB = 29.392(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.1163e-01 1.Q55 CG = 33.814(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.6120e-01 1.Q55 H = 8.249(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.6080e-01 1.Q55 HA = 4.322(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.0592e-01 1.Q55 HB2 = 2.081(D), Expected = 2.05, Std = 0.2500, ChiSquare = 9.0132e-01 1.Q55 HB3 = 1.959(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.2754e-01 1.Q55 HG2 = 2.296(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.2917e-01 1.Q55 HG3 = 2.296(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.8349e-01 1.Q55 N = 120.539(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.5693e-01 1.T56 C = 174.526(D), Expected = 174.54, Std = 1.7600, ChiSquare = 9.9365e-01 1.T56 CA = 62.075(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.5535e-01 1.T56 CB = 69.852(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.4034e-01 1.T56 CG2 = 21.600(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.6407e-01 1.T56 H = 8.063(D), Expected = 8.24, Std = 0.6200, ChiSquare = 7.7527e-01 1.T56 HA = 4.347(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.1389e-01 1.T56 HB = 4.233(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.4860e-01 1.T56 HG21 = 1.196(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0763e-01 1.T56 HG22 = 1.196(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0763e-01 1.T56 HG23 = 1.196(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0763e-01 1.T56 N = 114.334(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.1916e-01 1.S57 C = 174.275(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.4103e-01 1.S57 CA = 58.405(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.7905e-01 1.S57 CB = 63.949(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.1981e-01 1.S57 H = 8.163(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.4281e-01 1.S57 HA = 4.502(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.5614e-01 1.S57 HB2 = 3.868(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.6172e-01 1.S57 HB3 = 3.868(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.4685e-01 1.S57 N = 117.856(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.5435e-01 1.I58 C = 176.006(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.3524e-01 1.I58 CA = 61.275(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.0052e-01 1.I58 CB = 38.820(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.2506e-01 1.I58 CG1 = 27.288(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.0167e-01 1.I58 CG2 = 17.571(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.7595e-01 1.I58 CD1 = 13.017(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.0467e-01 1.I58 H = 8.049(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.3408e-01 1.I58 HA = 4.194(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.8006e-01 1.I58 HB = 1.856(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.9327e-01 1.I58 HG12 = 1.445(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.7997e-01 1.I58 HG13 = 1.162(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.4555e-01 1.I58 HG21 = 0.881(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.8099e-01 1.I58 HG22 = 0.881(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.8099e-01 1.I58 HG23 = 0.881(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.8099e-01 1.I58 HD11 = 0.827(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1223e-01 1.I58 HD12 = 0.827(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1223e-01 1.I58 HD13 = 0.827(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.1223e-01 1.I58 N = 122.144(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.7303e-01 1.Q59 C = 174.974(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.9326e-01 1.Q59 CA = 55.845(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.3477e-01 1.Q59 CB = 29.748(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.5915e-01 1.Q59 CG = 33.916(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.8823e-01 1.Q59 H = 8.327(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.5609e-01 1.Q59 HA = 4.416(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.4003e-01 1.Q59 HB2 = 2.143(D), Expected = 2.05, Std = 0.2500, ChiSquare = 7.0989e-01 1.Q59 HB3 = 1.985(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.0052e-01 1.Q59 HG2 = 2.367(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.6181e-01 1.Q59 HG3 = 2.367(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.9061e-01 1.Q59 N = 124.842(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.6896e-01 1.S60 CA = 60.023(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.2904e-01 1.S60 CB = 64.970(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.2921e-01 1.S60 H = 7.961(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.8873e-01 1.S60 HA = 4.267(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.9438e-01 1.S60 HB2 = 3.837(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.6344e-01 1.S60 HB3 = 3.837(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.6160e-01 1.S60 N = 123.632(D), Expected = 116.28, Std = 3.5200, ChiSquare = 3.6740e-02 2.S2 CA = 58.711(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.9653e-01 2.S2 CB = 63.860(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.6766e-01 2.S2 HB2 = 3.928(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.4774e-01 2.S2 HB3 = 3.890(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.8223e-01 2.D3 C = 176.278(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.4442e-01 2.D3 CA = 54.810(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.5286e-01 2.D3 CB = 41.016(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.3310e-01 2.D3 H = 8.562(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.6394e-01 2.D3 HA = 4.639(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.7830e-01 2.D3 HB2 = 2.764(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.6562e-01 2.D3 HB3 = 2.665(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.8575e-01 2.D3 N = 122.025(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.2168e-01 2.E4 C = 176.192(D), Expected = 176.87, Std = 1.9500, ChiSquare = 7.2807e-01 2.E4 CA = 56.585(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.2508e-01 2.E4 CB = 30.397(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.2198e-01 2.E4 CG = 36.418(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.9577e-01 2.E4 H = 8.250(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.9214e-01 2.E4 HA = 4.298(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.0680e-01 2.E4 HB2 = 2.122(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.2717e-01 2.E4 HB3 = 1.905(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.1171e-01 2.E4 HG2 = 2.250(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.2413e-01 2.E4 HG3 = 2.250(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.0000e+00 2.E4 N = 120.066(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.6221e-01 2.D5 C = 174.498(D), Expected = 176.40, Std = 1.7500, ChiSquare = 2.7710e-01 2.D5 CA = 54.406(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.8874e-01 2.D5 CB = 41.369(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.6276e-01 2.D5 H = 8.201(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.5093e-01 2.D5 HA = 4.573(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.5763e-01 2.D5 HB2 = 2.601(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.4717e-01 2.D5 HB3 = 2.601(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.3311e-01 2.D5 N = 121.351(D), Expected = 120.65, Std = 3.8600, ChiSquare = 8.5589e-01 2.T6 C = 172.624(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.7631e-01 2.T6 CA = 62.159(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.8121e-01 2.T6 CB = 70.272(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.3950e-01 2.T6 CG2 = 21.804(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.1900e-01 2.T6 H = 7.557(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.7063e-01 2.T6 HA = 4.655(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.8456e-01 2.T6 HB = 3.722(D), Expected = 4.17, Std = 0.3300, ChiSquare = 1.7460e-01 2.T6 HG21 = 0.862(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.2678e-01 2.T6 HG22 = 0.862(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.2678e-01 2.T6 HG23 = 0.862(D), Expected = 1.14, Std = 0.2300, ChiSquare = 2.2678e-01 2.T6 N = 114.380(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.2669e-01 2.Y7 C = 174.022(D), Expected = 175.40, Std = 1.9900, ChiSquare = 4.8865e-01 2.Y7 CA = 56.835(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.0590e-01 2.Y7 CB = 42.581(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.3111e-01 2.Y7 CD1 = 133.400(D), Expected = 132.77, Std = 1.1700, ChiSquare = 5.9026e-01 2.Y7 CE1 = 117.091(D), Expected = 117.93, Std = 1.1900, ChiSquare = 4.8078e-01 2.Y7 H = 8.926(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.0646e-01 2.Y7 HA = 4.350(D), Expected = 4.63, Std = 0.5600, ChiSquare = 6.1707e-01 2.Y7 HB2 = 2.104(D), Expected = 2.91, Std = 0.3700, ChiSquare = 2.9378e-02 2.Y7 HB3 = 2.104(D), Expected = 2.84, Std = 0.3900, ChiSquare = 5.9136e-02 2.Y7 HD1 = 6.485(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.3799e-01 2.Y7 HD2 = 6.485(D), Expected = 6.93, Std = 0.3000, ChiSquare = 1.3799e-01 2.Y7 HE1 = 6.445(D), Expected = 6.70, Std = 0.2300, ChiSquare = 2.6756e-01 2.Y7 HE2 = 6.445(D), Expected = 6.71, Std = 0.2300, ChiSquare = 2.4925e-01 2.Y7 N = 124.760(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.1272e-01 2.Y8 C = 174.891(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.9812e-01 2.Y8 CA = 57.289(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.3758e-01 2.Y8 CB = 41.584(D), Expected = 39.32, Std = 2.1600, ChiSquare = 2.9457e-01 2.Y8 CD1 = 133.033(D), Expected = 132.77, Std = 1.1700, ChiSquare = 8.2215e-01 2.Y8 CE1 = 118.034(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.3036e-01 2.Y8 H = 8.401(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.1165e-01 2.Y8 HA = 5.441(D), Expected = 4.63, Std = 0.5600, ChiSquare = 1.4756e-01 2.Y8 HB2 = 2.920(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.7844e-01 2.Y8 HB3 = 2.821(D), Expected = 2.84, Std = 0.3900, ChiSquare = 9.6114e-01 2.Y8 HD1 = 6.984(D), Expected = 6.93, Std = 0.3000, ChiSquare = 8.5715e-01 2.Y8 HD2 = 6.984(D), Expected = 6.93, Std = 0.3000, ChiSquare = 8.5715e-01 2.Y8 HE1 = 6.663(D), Expected = 6.70, Std = 0.2300, ChiSquare = 8.7220e-01 2.Y8 HE2 = 6.663(D), Expected = 6.71, Std = 0.2300, ChiSquare = 8.3808e-01 2.Y8 N = 118.700(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.6477e-01 2.L9 C = 174.466(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.0240e-01 2.L9 CA = 54.498(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.9836e-01 2.L9 CB = 46.266(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.5356e-02 2.L9 CG = 26.939(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.8507e-01 2.L9 CD1 = 26.375(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.9793e-01 2.L9 CD2 = 27.073(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.5365e-02 2.L9 H = 9.204(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.3401e-01 2.L9 HA = 4.992(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.5278e-01 2.L9 HB2 = 1.854(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.7298e-01 2.L9 HB3 = 1.620(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.8118e-01 2.L9 HG = 1.775(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.2196e-01 2.L9 HD11 = 0.819(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.0535e-01 2.L9 HD12 = 0.819(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.0535e-01 2.L9 HD13 = 0.819(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.0535e-01 2.L9 HD21 = 0.776(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.7397e-01 2.L9 HD22 = 0.776(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.7397e-01 2.L9 HD23 = 0.776(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.7397e-01 2.L9 N = 121.632(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.5338e-01 2.Q10 C = 174.509(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.5570e-01 2.Q10 CA = 54.374(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.0481e-01 2.Q10 CB = 31.382(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.2844e-01 2.Q10 CG = 34.225(D), Expected = 33.76, Std = 1.1100, ChiSquare = 6.7528e-01 2.Q10 H = 9.013(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.7893e-01 2.Q10 HA = 5.080(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.5635e-02 2.Q10 HB2 = 1.817(D), Expected = 2.05, Std = 0.2500, ChiSquare = 3.5134e-01 2.Q10 HB3 = 1.936(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.6418e-01 2.Q10 HG2 = 1.993(D), Expected = 2.32, Std = 0.2700, ChiSquare = 2.2585e-01 2.Q10 HG3 = 1.993(D), Expected = 2.29, Std = 0.2900, ChiSquare = 3.0577e-01 2.Q10 HE21 = 6.763(D), Expected = 7.24, Std = 0.4500, ChiSquare = 2.8914e-01 2.Q10 HE22 = 7.171(D), Expected = 7.02, Std = 0.4400, ChiSquare = 7.3146e-01 2.Q10 N = 123.532(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.1170e-01 2.Q10 NE2 = 111.543(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.4922e-01 2.V11 C = 172.608(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.1291e-01 2.V11 CA = 60.198(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.2290e-01 2.V11 CB = 35.603(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.0849e-01 2.V11 CG1 = 22.465(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.7343e-01 2.V11 CG2 = 20.695(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.1722e-01 2.V11 H = 9.159(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.9463e-01 2.V11 HA = 4.599(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.8070e-01 2.V11 HB = 1.858(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.0302e-01 2.V11 HG11 = 0.974(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.7968e-01 2.V11 HG12 = 0.974(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.7968e-01 2.V11 HG13 = 0.974(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.7968e-01 2.V11 HG21 = 0.942(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.1205e-01 2.V11 HG22 = 0.942(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.1205e-01 2.V11 HG23 = 0.942(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.1205e-01 2.V11 N = 124.091(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.1569e-01 2.R12 C = 176.488(D), Expected = 176.41, Std = 2.0300, ChiSquare = 9.6935e-01 2.R12 CA = 55.820(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.8089e-01 2.R12 CB = 31.257(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.6084e-01 2.R12 CG = 27.514(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.0001e-01 2.R12 CD = 43.493(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.0513e-01 2.R12 H = 9.324(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.5560e-02 2.R12 HA = 4.890(D), Expected = 4.30, Std = 0.4600, ChiSquare = 1.9963e-01 2.R12 HB2 = 1.824(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.9979e-01 2.R12 HB3 = 1.699(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.2754e-01 2.R12 HG2 = 1.595(D), Expected = 1.57, Std = 0.2700, ChiSquare = 9.2623e-01 2.R12 HG3 = 1.595(D), Expected = 1.54, Std = 0.2900, ChiSquare = 8.4958e-01 2.R12 HD2 = 3.221(D), Expected = 3.12, Std = 0.2400, ChiSquare = 6.7388e-01 2.R12 HD3 = 3.221(D), Expected = 3.10, Std = 0.2600, ChiSquare = 6.4166e-01 2.R12 HE = 8.184(D), Expected = 7.40, Std = 0.6300, ChiSquare = 2.1334e-01 2.R12 N = 129.114(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.3869e-02 2.R12 NE = 86.31(D), Expected = 84.63, Std = 1.6800, ChiSquare = 3.1731e-01 2.G13 C = 176.498(D), Expected = 173.87, Std = 1.8800, ChiSquare = 1.6215e-01 2.G13 CA = 44.970(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.7673e-01 2.G13 H = 8.813(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.5744e-01 2.G13 HA2 = 4.696(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.9744e-02 2.G13 HA3 = 3.911(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.7628e-01 2.G13 N = 114.585(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.0408e-01 2.R14 C = 177.603(D), Expected = 176.41, Std = 2.0300, ChiSquare = 5.5674e-01 2.R14 CA = 59.637(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.1456e-01 2.R14 CB = 29.841(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.3878e-01 2.R14 CG = 26.877(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.8140e-01 2.R14 CD = 42.924(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.8856e-01 2.R14 H = 8.866(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.0478e-01 2.R14 HA = 3.525(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.2031e-02 2.R14 HB2 = 2.044(D), Expected = 1.79, Std = 0.2700, ChiSquare = 3.4684e-01 2.R14 HB3 = 1.862(D), Expected = 1.76, Std = 0.2800, ChiSquare = 7.1564e-01 2.R14 HG2 = 1.693(D), Expected = 1.57, Std = 0.2700, ChiSquare = 6.4871e-01 2.R14 HG3 = 1.693(D), Expected = 1.54, Std = 0.2900, ChiSquare = 5.9779e-01 2.R14 HD2 = 3.112(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.7341e-01 2.R14 HD3 = 3.112(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.6319e-01 2.R14 N = 127.937(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.2452e-02 2.K15 C = 178.726(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.9695e-01 2.K15 CA = 59.527(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.4145e-01 2.K15 CB = 31.368(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.2436e-01 2.K15 CG = 24.515(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.4000e-01 2.K15 CD = 29.078(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.1300e-01 2.K15 CE = 42.151(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.5026e-01 2.K15 H = 8.556(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.4186e-01 2.K15 HA = 4.024(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.7610e-01 2.K15 HB2 = 1.864(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.3687e-01 2.K15 HB3 = 1.765(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.2623e-01 2.K15 HG2 = 1.478(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.7786e-01 2.K15 HG3 = 1.355(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.8575e-01 2.K15 HD2 = 1.688(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.2293e-01 2.K15 HD3 = 1.688(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.8916e-01 2.K15 HE2 = 2.947(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.8700e-01 2.K15 HE3 = 2.947(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.5323e-01 2.K15 N = 119.095(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.0406e-01 2.N16 C = 176.932(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.5315e-01 2.N16 CA = 55.393(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.2431e-01 2.N16 CB = 37.528(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.9172e-01 2.N16 H = 7.617(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.5113e-01 2.N16 HA = 4.402(D), Expected = 4.67, Std = 0.3600, ChiSquare = 4.5661e-01 2.N16 HB2 = 2.957(D), Expected = 2.81, Std = 0.3100, ChiSquare = 6.3536e-01 2.N16 HB3 = 2.268(D), Expected = 2.75, Std = 0.3300, ChiSquare = 1.4412e-01 2.N16 HD21 = 6.624(D), Expected = 7.35, Std = 0.4800, ChiSquare = 1.3041e-01 2.N16 N = 116.769(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.9180e-01 2.N16 ND2 = 114.634(D), Expected = 112.75, Std = 2.2300, ChiSquare = 3.9820e-01 2.F17 C = 175.757(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.6552e-01 2.F17 CA = 61.430(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.9240e-01 2.F17 CB = 39.099(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.6988e-01 2.F17 CD1 = 131.521(D), Expected = 131.58, Std = 1.1800, ChiSquare = 9.6012e-01 2.F17 CE1 = 131.117(D), Expected = 130.71, Std = 1.3000, ChiSquare = 7.5422e-01 2.F17 H = 8.051(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.6780e-01 2.F17 HA = 3.901(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.0092e-01 2.F17 HB2 = 2.594(D), Expected = 3.00, Std = 0.3700, ChiSquare = 2.7251e-01 2.F17 HB3 = 2.724(D), Expected = 2.93, Std = 0.4000, ChiSquare = 6.0655e-01 2.F17 HD1 = 6.635(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.7038e-01 2.F17 HD2 = 6.635(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.7038e-01 2.F17 HE1 = 7.213(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.6790e-01 2.F17 HE2 = 7.213(D), Expected = 7.08, Std = 0.3200, ChiSquare = 6.7768e-01 2.F17 N = 120.646(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.6260e-01 2.E18 C = 180.017(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.0656e-01 2.E18 CA = 59.873(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.2188e-01 2.E18 CB = 29.177(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.2817e-01 2.E18 CG = 37.152(D), Expected = 36.11, Std = 1.1900, ChiSquare = 3.8123e-01 2.E18 H = 8.364(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.5405e-01 2.E18 HA = 3.505(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.9206e-02 2.E18 HB2 = 2.096(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.1742e-01 2.E18 HB3 = 1.930(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.9419e-01 2.E18 HG2 = 2.176(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.5443e-01 2.E18 HG3 = 2.534(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.9673e-01 2.E18 N = 117.509(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.6370e-01 2.I19 C = 177.344(D), Expected = 175.85, Std = 1.9200, ChiSquare = 4.3650e-01 2.I19 CA = 65.580(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3851e-01 2.I19 CB = 38.429(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.2074e-01 2.I19 CG1 = 29.459(D), Expected = 27.71, Std = 1.6800, ChiSquare = 2.9784e-01 2.I19 CG2 = 17.073(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.3685e-01 2.I19 CD1 = 13.733(D), Expected = 13.43, Std = 1.6700, ChiSquare = 8.5602e-01 2.I19 H = 7.670(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.6969e-01 2.I19 HA = 3.644(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.3850e-01 2.I19 HB = 1.833(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.5499e-01 2.I19 HG12 = 1.833(D), Expected = 1.28, Std = 0.4000, ChiSquare = 1.6682e-01 2.I19 HG13 = 0.984(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.1536e-01 2.I19 HG21 = 0.806(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.9393e-01 2.I19 HG22 = 0.806(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.9393e-01 2.I19 HG23 = 0.806(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.9393e-01 2.I19 HD11 = 0.840(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.8114e-01 2.I19 HD12 = 0.840(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.8114e-01 2.I19 HD13 = 0.840(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.8114e-01 2.I19 N = 119.260(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.0724e-01 2.L20 C = 178.883(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.3904e-01 2.L20 CA = 58.221(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2204e-01 2.L20 CB = 41.337(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.0477e-01 2.L20 CG = 26.751(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.7897e-01 2.L20 CD1 = 23.470(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.3177e-01 2.L20 H = 7.937(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.5216e-01 2.L20 HA = 3.804(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.7226e-01 2.L20 HB2 = 1.150(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.7607e-01 2.L20 HB3 = 1.150(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.0405e-01 2.L20 HG = 1.828(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.3523e-01 2.L20 HD11 = 0.731(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4590e-01 2.L20 HD12 = 0.731(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4590e-01 2.L20 HD13 = 0.731(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4590e-01 2.L20 N = 117.913(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.1151e-01 2.M21 C = 178.742(D), Expected = 176.18, Std = 2.0900, ChiSquare = 2.2026e-01 2.M21 CA = 57.871(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.2971e-01 2.M21 CB = 31.907(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.2875e-01 2.M21 CG = 31.572(D), Expected = 32.01, Std = 1.2400, ChiSquare = 7.2392e-01 2.M21 CE = 16.833(D), Expected = 17.07, Std = 1.5800, ChiSquare = 8.8076e-01 2.M21 H = 8.659(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.0605e-01 2.M21 HA = 4.032(D), Expected = 4.41, Std = 0.4800, ChiSquare = 4.3099e-01 2.M21 HB2 = 1.904(D), Expected = 2.03, Std = 0.3400, ChiSquare = 7.1094e-01 2.M21 HB3 = 1.843(D), Expected = 1.99, Std = 0.3400, ChiSquare = 6.6548e-01 2.M21 HG2 = 1.821(D), Expected = 2.42, Std = 0.3500, ChiSquare = 8.7002e-02 2.M21 HG3 = 1.716(D), Expected = 2.39, Std = 0.3800, ChiSquare = 7.6116e-02 2.M21 HE1 = 1.883(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.8786e-01 2.M21 HE2 = 1.883(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.8786e-01 2.M21 HE3 = 1.883(D), Expected = 1.89, Std = 0.4600, ChiSquare = 9.8786e-01 2.M21 N = 118.279(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.1196e-01 2.K22 C = 179.072(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.2398e-01 2.K22 CA = 59.346(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.7611e-01 2.K22 CB = 32.224(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.5050e-01 2.K22 CG = 25.296(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.1938e-01 2.K22 CD = 29.305(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.4939e-01 2.K22 CE = 42.200(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.0539e-01 2.K22 H = 7.381(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.7755e-01 2.K22 HA = 4.023(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.7455e-01 2.K22 HB2 = 1.911(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.0028e-01 2.K22 HB3 = 1.817(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.7550e-01 2.K22 HG2 = 1.377(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.7852e-01 2.K22 HG3 = 1.547(D), Expected = 1.35, Std = 0.2800, ChiSquare = 4.8170e-01 2.K22 HD2 = 1.633(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.1674e-01 2.K22 HD3 = 1.633(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.8076e-01 2.K22 HE2 = 2.890(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.7454e-01 2.K22 HE3 = 2.890(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.2034e-01 2.K22 N = 120.560(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.9659e-01 2.L23 C = 177.923(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.3749e-01 2.L23 CA = 56.462(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.9262e-01 2.L23 CB = 41.718(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.5284e-01 2.L23 CG = 26.351(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.9654e-01 2.L23 CD1 = 24.109(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.0077e-01 2.L23 H = 7.688(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.0437e-01 2.L23 HA = 4.345(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.5758e-01 2.L23 HB2 = 1.644(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.2034e-01 2.L23 HB3 = 1.234(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.2694e-01 2.L23 HG = 0.721(D), Expected = 1.51, Std = 0.3300, ChiSquare = 1.6807e-02 2.L23 HD11 = 0.695(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4427e-01 2.L23 HD12 = 0.695(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4427e-01 2.L23 HD13 = 0.695(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.4427e-01 2.L23 N = 118.891(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.4649e-01 2.K24 C = 177.059(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.3406e-01 2.K24 CA = 60.465(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.1010e-01 2.K24 CB = 33.137(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.4544e-01 2.K24 CG = 24.741(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.9510e-01 2.K24 CD = 30.050(D), Expected = 28.96, Std = 1.0800, ChiSquare = 3.1285e-01 2.K24 CE = 43.381(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.9020e-02 2.K24 H = 8.884(D), Expected = 8.19, Std = 0.6000, ChiSquare = 2.4741e-01 2.K24 HA = 3.730(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.1972e-01 2.K24 HB2 = 2.102(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.9775e-01 2.K24 HB3 = 1.897(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.6092e-01 2.K24 HG2 = 1.413(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.6864e-01 2.K24 HG3 = 1.581(D), Expected = 1.35, Std = 0.2800, ChiSquare = 4.0937e-01 2.K24 HD2 = 1.682(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.4346e-01 2.K24 HD3 = 1.925(D), Expected = 1.60, Std = 0.2200, ChiSquare = 1.3960e-01 2.K24 N = 121.250(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.5769e-01 2.E25 C = 177.169(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.7814e-01 2.E25 CA = 58.898(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.5023e-01 2.E25 CB = 30.277(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7664e-01 2.E25 CG = 37.309(D), Expected = 36.11, Std = 1.1900, ChiSquare = 3.1366e-01 2.E25 H = 7.660(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.5613e-01 2.E25 HA = 4.276(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.4944e-01 2.E25 HB2 = 2.250(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.7341e-01 2.E25 HB3 = 2.250(D), Expected = 1.99, Std = 0.2300, ChiSquare = 2.5829e-01 2.E25 HG2 = 2.037(D), Expected = 2.27, Std = 0.2100, ChiSquare = 2.6720e-01 2.E25 HG3 = 2.353(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.3965e-01 2.E25 N = 116.755(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.6059e-01 2.S26 C = 177.177(D), Expected = 174.62, Std = 1.7200, ChiSquare = 1.3711e-01 2.S26 CA = 62.553(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.4070e-02 2.S26 CB = 62.632(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.3000e-01 2.S26 H = 7.659(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.9255e-01 2.S26 HA = 4.169(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.3686e-01 2.S26 HB2 = 3.738(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.7003e-01 2.S26 HB3 = 3.818(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.0566e-01 2.S26 N = 114.369(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.8720e-01 2.L27 C = 180.394(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.5579e-02 2.L27 CA = 58.379(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.9521e-01 2.L27 CB = 40.787(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.1788e-01 2.L27 CG = 25.848(D), Expected = 26.78, Std = 1.1000, ChiSquare = 3.9684e-01 2.L27 CD1 = 21.773(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.3817e-02 2.L27 H = 8.486(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9369e-01 2.L27 HA = 4.039(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.4993e-01 2.L27 HB2 = 1.787(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.0265e-01 2.L27 HB3 = 1.417(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.7479e-01 2.L27 HG = 0.689(D), Expected = 1.51, Std = 0.3300, ChiSquare = 1.2851e-02 2.L27 HD11 = 0.852(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1564e-01 2.L27 HD12 = 0.852(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1564e-01 2.L27 HD13 = 0.852(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1564e-01 2.L27 N = 123.247(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2211e-01 2.E28 C = 180.268(D), Expected = 176.87, Std = 1.9500, ChiSquare = 8.1410e-02 2.E28 CA = 59.795(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.3633e-01 2.E28 CB = 29.567(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9675e-01 2.E28 CG = 38.477(D), Expected = 36.11, Std = 1.1900, ChiSquare = 4.6693e-02 2.E28 H = 8.410(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.9214e-01 2.E28 HA = 4.069(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.5888e-01 2.E28 HB2 = 2.296(D), Expected = 2.02, Std = 0.2100, ChiSquare = 1.8875e-01 2.E28 HB3 = 2.026(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.7562e-01 2.E28 HG2 = 2.886(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.3534e-03 2.E28 HG3 = 2.341(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.7914e-01 2.E28 N = 117.672(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.8897e-01 2.L29 C = 179.058(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.9628e-01 2.L29 CA = 57.093(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.8922e-01 2.L29 CB = 41.526(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.7666e-01 2.L29 CG = 27.031(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.1950e-01 2.L29 CD1 = 23.424(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.1502e-01 2.L29 CD2 = 27.068(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.5849e-02 2.L29 H = 8.323(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.8623e-01 2.L29 HA = 3.865(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.3300e-01 2.L29 HB2 = 1.085(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.2256e-01 2.L29 HB3 = 1.741(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.3929e-01 2.L29 HG = 1.749(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.6892e-01 2.L29 HD11 = 0.447(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7919e-01 2.L29 HD12 = 0.447(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7919e-01 2.L29 HD13 = 0.447(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7919e-01 2.L29 HD21 = 0.496(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.1973e-01 2.L29 HD22 = 0.496(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.1973e-01 2.L29 HD23 = 0.496(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.1973e-01 2.L29 N = 119.445(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.3576e-01 2.M30 C = 178.224(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.2808e-01 2.M30 CA = 58.894(D), Expected = 56.11, Std = 2.2300, ChiSquare = 2.1187e-01 2.M30 CB = 31.981(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.5239e-01 2.M30 CG = 32.264(D), Expected = 32.01, Std = 1.2400, ChiSquare = 8.3770e-01 2.M30 CE = 17.346(D), Expected = 17.07, Std = 1.5800, ChiSquare = 8.6133e-01 2.M30 H = 7.662(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.1893e-01 2.M30 HA = 4.002(D), Expected = 4.41, Std = 0.4800, ChiSquare = 3.9533e-01 2.M30 HB2 = 2.705(D), Expected = 2.03, Std = 0.3400, ChiSquare = 4.7112e-02 2.M30 HB3 = 2.515(D), Expected = 1.99, Std = 0.3400, ChiSquare = 1.2256e-01 2.M30 HG2 = 2.194(D), Expected = 2.42, Std = 0.3500, ChiSquare = 5.1846e-01 2.M30 HG3 = 2.114(D), Expected = 2.39, Std = 0.3800, ChiSquare = 4.6765e-01 2.M30 HE1 = 2.024(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.7082e-01 2.M30 HE2 = 2.024(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.7082e-01 2.M30 HE3 = 2.024(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.7082e-01 2.M30 N = 118.025(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.6297e-01 2.E31 C = 176.954(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.6564e-01 2.E31 CA = 57.957(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.6053e-01 2.E31 CB = 29.809(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.0697e-01 2.E31 CG = 36.187(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.4841e-01 2.E31 H = 7.235(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.3463e-02 2.E31 HA = 4.157(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.2056e-01 2.E31 HB2 = 2.130(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.0041e-01 2.E31 HB3 = 2.130(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.4273e-01 2.E31 HG2 = 2.390(D), Expected = 2.27, Std = 0.2100, ChiSquare = 5.6771e-01 2.E31 HG3 = 2.390(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.2454e-01 2.E31 N = 115.784(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.6031e-01 2.L32 C = 177.537(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.8235e-01 2.L32 CA = 54.748(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.8225e-01 2.L32 CB = 42.099(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1064e-01 2.L32 CG = 27.458(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.3765e-01 2.L32 CD1 = 25.800(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.9698e-01 2.L32 CD2 = 22.551(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.7790e-01 2.L32 H = 7.964(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.8237e-01 2.L32 HA = 4.308(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.7963e-01 2.L32 HB2 = 1.905(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.8559e-01 2.L32 HB3 = 1.905(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.8487e-01 2.L32 HG = 1.667(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.3425e-01 2.L32 HD11 = 0.895(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.0456e-01 2.L32 HD12 = 0.895(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.0456e-01 2.L32 HD13 = 0.895(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.0456e-01 2.L32 HD21 = 0.895(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6938e-01 2.L32 HD22 = 0.895(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6938e-01 2.L32 HD23 = 0.895(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6938e-01 2.L32 N = 117.445(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.5761e-01 2.V33 C = 174.154(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.4036e-01 2.V33 CA = 61.225(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.5827e-01 2.V33 CB = 32.131(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.3790e-01 2.V33 H = 7.375(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7204e-01 2.V33 HA = 3.932(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.5644e-01 2.V33 HB = 2.038(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.5617e-01 2.V33 HG11 = 0.958(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2250e-01 2.V33 HG12 = 0.958(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2250e-01 2.V33 HG13 = 0.958(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2250e-01 2.V33 HG21 = 0.958(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.7256e-01 2.V33 HG22 = 0.958(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.7256e-01 2.V33 HG23 = 0.958(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.7256e-01 2.V33 N = 122.935(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.9257e-01 2.P34 C = 177.633(D), Expected = 176.75, Std = 1.5100, ChiSquare = 5.5870e-01 2.P34 CA = 63.358(D), Expected = 63.33, Std = 1.5200, ChiSquare = 9.8530e-01 2.P34 CB = 33.330(D), Expected = 31.85, Std = 1.1800, ChiSquare = 2.0976e-01 2.P34 CG = 27.975(D), Expected = 27.17, Std = 1.0900, ChiSquare = 4.6019e-01 2.P34 CD = 51.276(D), Expected = 50.32, Std = 0.9900, ChiSquare = 3.3422e-01 2.P34 HA = 4.393(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.8308e-01 2.P34 HB2 = 1.917(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.4142e-01 2.P34 HB3 = 2.490(D), Expected = 2.00, Std = 0.3600, ChiSquare = 1.7348e-01 2.P34 HG2 = 2.195(D), Expected = 1.93, Std = 0.3100, ChiSquare = 3.9264e-01 2.P34 HG3 = 2.105(D), Expected = 1.90, Std = 0.3300, ChiSquare = 5.3446e-01 2.P34 HD2 = 4.219(D), Expected = 3.65, Std = 0.3500, ChiSquare = 1.0401e-01 2.P34 HD3 = 3.564(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.0611e-01 2.Q35 C = 174.012(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.3861e-01 2.Q35 CA = 60.076(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.0136e-01 2.Q35 CB = 26.139(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.3665e-02 2.Q35 H = 8.993(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.9014e-01 2.Q35 HA = 3.959(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.7968e-01 2.Q35 HB2 = 2.279(D), Expected = 2.05, Std = 0.2500, ChiSquare = 3.5967e-01 2.Q35 HB3 = 2.141(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.6564e-01 2.Q35 N = 125.241(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.3718e-01 2.P36 C = 179.719(D), Expected = 176.75, Std = 1.5100, ChiSquare = 4.9273e-02 2.P36 CA = 66.248(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.4891e-02 2.P36 CB = 31.154(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.5530e-01 2.P36 CG = 28.668(D), Expected = 27.17, Std = 1.0900, ChiSquare = 1.6934e-01 2.P36 CD = 50.402(D), Expected = 50.32, Std = 0.9900, ChiSquare = 9.3399e-01 2.P36 HA = 4.427(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.3479e-01 2.P36 HB2 = 2.415(D), Expected = 2.08, Std = 0.3500, ChiSquare = 3.3850e-01 2.P36 HB3 = 1.764(D), Expected = 2.00, Std = 0.3600, ChiSquare = 5.1211e-01 2.P36 HG2 = 2.016(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.8146e-01 2.P36 HG3 = 2.016(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.2520e-01 2.P36 HD2 = 3.821(D), Expected = 3.65, Std = 0.3500, ChiSquare = 6.2514e-01 2.P36 HD3 = 3.515(D), Expected = 3.61, Std = 0.3900, ChiSquare = 8.0755e-01 2.L37 C = 178.871(D), Expected = 176.99, Std = 1.9800, ChiSquare = 3.4211e-01 2.L37 CA = 57.174(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.6565e-01 2.L37 CB = 41.264(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.7795e-01 2.L37 CG = 27.511(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.0634e-01 2.L37 CD1 = 24.993(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.6367e-01 2.L37 CD2 = 23.290(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.5483e-01 2.L37 H = 7.220(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.2022e-01 2.L37 HA = 4.162(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.3674e-01 2.L37 HB2 = 1.204(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.3243e-01 2.L37 HB3 = 1.732(D), Expected = 1.52, Std = 0.3600, ChiSquare = 5.5594e-01 2.L37 HG = 1.571(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.5335e-01 2.L37 HD11 = 0.871(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6564e-01 2.L37 HD12 = 0.871(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6564e-01 2.L37 HD13 = 0.871(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.6564e-01 2.L37 HD21 = 0.761(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1487e-01 2.L37 HD22 = 0.761(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1487e-01 2.L37 HD23 = 0.761(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.1487e-01 2.L37 N = 116.655(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.8200e-01 2.V38 C = 178.353(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.5031e-01 2.V38 CA = 67.124(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.0517e-01 2.V38 CB = 31.438(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.7043e-01 2.V38 CG1 = 22.511(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.5281e-01 2.V38 CG2 = 21.028(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.8178e-01 2.V38 H = 7.465(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.1819e-01 2.V38 HA = 3.471(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.1510e-01 2.V38 HB = 2.220(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.5325e-01 2.V38 HG11 = 0.936(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.8350e-01 2.V38 HG12 = 0.936(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.8350e-01 2.V38 HG13 = 0.936(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.8350e-01 2.V38 HG21 = 0.936(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.2717e-01 2.V38 HG22 = 0.936(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.2717e-01 2.V38 HG23 = 0.936(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.2717e-01 2.V38 N = 121.976(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.5390e-01 2.D39 C = 179.398(D), Expected = 176.40, Std = 1.7500, ChiSquare = 8.6686e-02 2.D39 CA = 57.796(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.2600e-01 2.D39 CB = 40.198(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.7376e-01 2.D39 H = 8.605(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.1102e-01 2.D39 HA = 4.365(D), Expected = 4.59, Std = 0.3200, ChiSquare = 4.8198e-01 2.D39 HB2 = 2.672(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.5353e-01 2.D39 HB3 = 2.672(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.6582e-01 2.D39 N = 118.845(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.4006e-01 2.S40 C = 179.406(D), Expected = 174.62, Std = 1.7200, ChiSquare = 5.3932e-03 2.S40 CA = 61.726(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4645e-01 2.S40 CB = 62.897(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.4177e-01 2.S40 H = 7.817(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.3260e-01 2.S40 HA = 4.239(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.4684e-01 2.S40 HB2 = 3.980(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.8916e-01 2.S40 HB3 = 4.028(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.0973e-01 2.S40 N = 115.275(D), Expected = 116.28, Std = 3.5200, ChiSquare = 7.7525e-01 2.Y41 C = 178.220(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.5646e-01 2.Y41 CA = 61.719(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.5275e-01 2.Y41 CB = 38.434(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.8167e-01 2.Y41 CD1 = 133.170(D), Expected = 132.77, Std = 1.1700, ChiSquare = 7.3244e-01 2.Y41 CE1 = 117.977(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.6850e-01 2.Y41 H = 8.247(D), Expected = 8.32, Std = 0.7300, ChiSquare = 9.2034e-01 2.Y41 HA = 4.175(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.1651e-01 2.Y41 HB2 = 3.291(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.0314e-01 2.Y41 HB3 = 3.059(D), Expected = 2.84, Std = 0.3900, ChiSquare = 5.7443e-01 2.Y41 HD1 = 7.085(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.0539e-01 2.Y41 HD2 = 7.085(D), Expected = 6.93, Std = 0.3000, ChiSquare = 6.0539e-01 2.Y41 HE1 = 6.801(D), Expected = 6.70, Std = 0.2300, ChiSquare = 6.6057e-01 2.Y41 HE2 = 6.801(D), Expected = 6.71, Std = 0.2300, ChiSquare = 6.9236e-01 2.Y41 N = 124.425(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.5249e-01 2.R42 C = 179.611(D), Expected = 176.41, Std = 2.0300, ChiSquare = 1.1483e-01 2.R42 CA = 60.458(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.1037e-01 2.R42 CB = 29.662(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.7057e-01 2.R42 CD = 43.719(D), Expected = 43.16, Std = 0.8800, ChiSquare = 5.2528e-01 2.R42 H = 8.731(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.2087e-01 2.R42 HA = 3.734(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.1853e-01 2.R42 HB2 = 1.791(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.9704e-01 2.R42 HB3 = 2.157(D), Expected = 1.76, Std = 0.2800, ChiSquare = 1.5623e-01 2.R42 HD2 = 3.185(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.8652e-01 2.R42 HD3 = 3.185(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.4373e-01 2.R42 HE = 7.364(D), Expected = 7.40, Std = 0.6300, ChiSquare = 9.5443e-01 2.R42 N = 119.750(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.7539e-01 2.R42 NE = 85.15(D), Expected = 84.63, Std = 1.6800, ChiSquare = 7.5692e-01 2.Q43 C = 178.594(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.4149e-01 2.Q43 CA = 58.813(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.9458e-01 2.Q43 CB = 28.394(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.6185e-01 2.Q43 CG = 34.014(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.1900e-01 2.Q43 H = 8.063(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.9016e-01 2.Q43 HA = 4.078(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.6257e-01 2.Q43 HB2 = 2.085(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.8866e-01 2.Q43 HB3 = 1.918(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.1564e-01 2.Q43 HG2 = 2.531(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.3452e-01 2.Q43 HG3 = 2.410(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.7903e-01 2.Q43 HE21 = 7.285(D), Expected = 7.24, Std = 0.4500, ChiSquare = 9.2034e-01 2.Q43 HE22 = 6.765(D), Expected = 7.02, Std = 0.4400, ChiSquare = 5.6222e-01 2.Q43 N = 119.346(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.7989e-01 2.Q43 NE2 = 112.038(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.2219e-01 2.Q44 C = 178.597(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.4087e-01 2.Q44 CA = 58.210(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.4347e-01 2.Q44 CB = 28.396(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.6265e-01 2.Q44 CG = 34.152(D), Expected = 33.76, Std = 1.1100, ChiSquare = 7.2397e-01 2.Q44 H = 7.900(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.8756e-01 2.Q44 HA = 4.048(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.1388e-01 2.Q44 HB2 = 2.142(D), Expected = 2.05, Std = 0.2500, ChiSquare = 7.1287e-01 2.Q44 HB3 = 2.142(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.6304e-01 2.Q44 HG2 = 2.512(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.7702e-01 2.Q44 HG3 = 2.512(D), Expected = 2.29, Std = 0.2900, ChiSquare = 4.4396e-01 2.Q44 N = 118.513(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.0209e-01 2.Q45 C = 178.363(D), Expected = 176.31, Std = 1.9500, ChiSquare = 2.9242e-01 2.Q45 CA = 57.369(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.0888e-01 2.Q45 CB = 28.361(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.4875e-01 2.Q45 CG = 33.617(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.9749e-01 2.Q45 H = 7.935(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.2906e-01 2.Q45 HA = 3.869(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.6210e-01 2.Q45 HB2 = 2.002(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.4774e-01 2.Q45 HB3 = 2.002(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.4874e-01 2.Q45 HG2 = 2.000(D), Expected = 2.32, Std = 0.2700, ChiSquare = 2.3594e-01 2.Q45 HG3 = 2.000(D), Expected = 2.29, Std = 0.2900, ChiSquare = 3.1731e-01 2.Q45 N = 117.373(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.8445e-01 2.Q46 C = 177.503(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.4067e-01 2.Q46 CA = 57.852(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.4913e-01 2.Q46 CB = 28.516(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.1114e-01 2.Q46 CG = 34.000(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.2882e-01 2.Q46 H = 7.709(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.8643e-01 2.Q46 HA = 4.142(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.7112e-01 2.Q46 HB2 = 2.161(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.5704e-01 2.Q46 HB3 = 2.161(D), Expected = 2.02, Std = 0.2800, ChiSquare = 6.1456e-01 2.Q46 HG2 = 2.478(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.5842e-01 2.Q46 HG3 = 2.478(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.1681e-01 2.Q46 N = 118.243(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.4731e-01 2.L47 C = 177.835(D), Expected = 176.99, Std = 1.9800, ChiSquare = 6.6955e-01 2.L47 CA = 56.031(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.4699e-01 2.L47 CB = 42.078(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.0179e-01 2.L47 CG = 26.962(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.6859e-01 2.L47 CD1 = 25.189(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.6802e-01 2.L47 CD2 = 23.004(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.3836e-01 2.L47 H = 7.484(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.5110e-01 2.L47 HA = 4.268(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.1190e-01 2.L47 HB2 = 1.780(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.1707e-01 2.L47 HB3 = 1.647(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.2425e-01 2.L47 HG = 1.750(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.6706e-01 2.L47 HD11 = 0.924(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.3432e-01 2.L47 HD12 = 0.924(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.3432e-01 2.L47 HD13 = 0.924(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.3432e-01 2.L47 HD21 = 0.924(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.0352e-01 2.L47 HD22 = 0.924(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.0352e-01 2.L47 HD23 = 0.924(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.0352e-01 2.L47 N = 118.586(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.0120e-01 2.L48 C = 177.207(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.1273e-01 2.L48 CA = 55.149(D), Expected = 55.62, Std = 2.1300, ChiSquare = 8.2499e-01 2.L48 CB = 42.380(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.7030e-01 2.L48 CG = 26.624(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.8722e-01 2.L48 CD1 = 25.299(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.1575e-01 2.L48 CD2 = 22.837(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.7552e-01 2.L48 H = 7.532(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.8289e-01 2.L48 HA = 4.341(D), Expected = 4.32, Std = 0.4700, ChiSquare = 9.6436e-01 2.L48 HB2 = 1.755(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.6976e-01 2.L48 HB3 = 1.599(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.2630e-01 2.L48 HG = 1.731(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.0305e-01 2.L48 HD11 = 0.840(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.4789e-01 2.L48 HD12 = 0.840(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.4789e-01 2.L48 HD13 = 0.840(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.4789e-01 2.L48 HD21 = 0.840(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0446e-01 2.L48 HD22 = 0.840(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0446e-01 2.L48 HD23 = 0.840(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.0446e-01 2.L48 N = 118.753(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.2564e-01 2.Q49 C = 174.910(D), Expected = 176.31, Std = 1.9500, ChiSquare = 4.7279e-01 2.Q49 CA = 56.161(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.4843e-01 2.Q49 CB = 29.534(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.5008e-01 2.Q49 CG = 34.003(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.2671e-01 2.Q49 H = 7.675(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.5563e-01 2.Q49 HA = 4.359(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.3970e-01 2.Q49 HB2 = 2.213(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.1440e-01 2.Q49 HB3 = 2.051(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.1184e-01 2.Q49 HG2 = 2.457(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.1187e-01 2.Q49 HG3 = 2.457(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.6471e-01 2.Q49 N = 119.878(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.9734e-01 2.R50 C = 180.825(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.9639e-02 2.R50 CA = 57.568(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.2975e-01 2.R50 CB = 31.701(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.8438e-01 2.R50 CD = 43.483(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.1358e-01 2.R50 H = 7.955(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.4035e-01 2.R50 HA = 4.140(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.2797e-01 2.R50 HB2 = 1.590(D), Expected = 1.79, Std = 0.2700, ChiSquare = 4.5885e-01 2.R50 HB3 = 1.756(D), Expected = 1.76, Std = 0.2800, ChiSquare = 9.8860e-01 2.R50 HD2 = 2.888(D), Expected = 3.12, Std = 0.2400, ChiSquare = 3.3371e-01 2.R50 HD3 = 2.861(D), Expected = 3.10, Std = 0.2600, ChiSquare = 3.5798e-01 2.R50 N = 127.959(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.1729e-02