Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.99 C Shift Assignments>> C :: 174.334(D) CA :: 61.164(D) CB :: 33.495(D) CG1 :: 21.249(D) CG2 :: 20.237(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>> HA :: 4.315(D) HB :: 2.039(D) HG11 :: 0.851(D) HG12 :: 0.851(D) HG13 :: 0.851(D) HG21 :: 0.851(D) HG22 :: 0.851(D) HG23 :: 0.851(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) 1.D3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 L 0.25 K 0.13 N 0.09 F 0.07 Y 0.05 R 0.03 C Shift Assignments>> C :: 175.693(D) CA :: 53.825(D) CB :: 41.528(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 :: 8.361(D) HA :: 5.030(D) HB2 :: 2.596(D) HB3 :: 2.408(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.601(D) Ave N Shift Values>> N :: 120.65(3.86) 1.I4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.99 C Shift Assignments>> C :: 175.617(D) CA :: 61.103(D) CB :: 39.989(D) CG1 :: 27.965(D) CG2 :: 18.216(D) CD1 :: 13.567(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 :: 8.577(D) HA :: 4.140(D) HB :: 1.870(D) HG12 :: 1.765(D) HG13 :: 0.873(D) HG21 :: 0.774(D) HG22 :: 0.774(D) HG23 :: 0.774(D) HD11 :: 0.792(D) HD12 :: 0.792(D) HD13 :: 0.792(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.435(D) Ave N Shift Values>> N :: 121.46(4.28) 1.R5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.67 K 0.28 G 0.02 C Shift Assignments>> C :: 174.965(D) CA :: 55.862(D) CB :: 30.250(D) CG :: 27.812(D) CD :: 42.585(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 :: 8.188(D) HA :: 4.770(D) HB2 :: 1.918(D) HB3 :: 1.918(D) HG2 :: 1.734(D) HG3 :: 1.522(D) HD2 :: 3.114(D) HD3 :: 3.114(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 :: 128.269(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.V6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 173.664(D) CA :: 61.019(D) CB :: 34.853(D) CG1 :: 21.684(D) CG2 :: 21.714(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 :: 9.056(D) HA :: 4.466(D) HB :: 1.841(D) HG11 :: 0.767(D) HG12 :: 0.767(D) HG13 :: 0.767(D) HG21 :: 0.713(D) HG22 :: 0.713(D) HG23 :: 0.713(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.120(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 L 0.26 N 0.11 K 0.1 R 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.696(D) CA :: 52.349(D) CB :: 41.941(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 :: 8.908(D) HA :: 5.485(D) HB2 :: 2.567(D) HB3 :: 2.524(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 :: 127.983(D) Ave N Shift Values>> N :: 120.65(3.86) 1.L8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.91 R 0.05 G 0.01 A 0.01 C Shift Assignments>> C :: 173.972(D) CA :: 52.492(D) CB :: 41.916(D) CG :: 26.962(D) CD1 :: 26.369(D) CD2 :: 24.619(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 :: 9.664(D) HA :: 4.443(D) HB2 :: 1.897(D) HB3 :: 1.055(D) HG :: 1.638(D) HD11 :: 1.057(D) HD12 :: 1.057(D) HD13 :: 1.057(D) HD21 :: 0.811(D) HD22 :: 0.811(D) HD23 :: 0.811(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.977(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 :: 176.789(D) CA :: 61.993(D) CB :: 31.493(D) CG :: 27.628(D) CD :: 50.326(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 :: 4.479(D) HB2 :: 2.275(D) HB3 :: 1.810(D) HG2 :: 2.104(D) HG3 :: 1.949(D) HD2 :: 3.964(D) HD3 :: 3.309(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.A10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.88 M 0.11 C Shift Assignments>> C :: 180.038(D) CA :: 52.064(D) CB :: 18.762(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.662(D) HA :: 4.280(D) HB1 :: 1.433(D) HB2 :: 1.433(D) HB3 :: 1.433(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.516(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S11 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate H Shift Assignments>> H :: 9.339(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.424(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.191(D) CA :: 57.556(D) CB :: 63.508(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.417(D) HB2 :: 4.049(D) HB3 :: 3.797(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.A13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 M 0.05 L 0.02 C Shift Assignments>> C :: 177.512(D) CA :: 52.534(D) CB :: 20.000(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.523(D) HA :: 4.250(D) HB1 :: 1.441(D) HB2 :: 1.441(D) HB3 :: 1.441(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.046(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.77 R 0.19 G 0.01 C Shift Assignments>> C :: 174.782(D) CA :: 53.941(D) CB :: 32.118(D) CG :: 24.772(D) CD :: 29.130(D) CE :: 42.196(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 :: 8.529(D) HA :: 4.583(D) HB2 :: 1.834(D) HB3 :: 1.704(D) HG2 :: 1.560(D) HG3 :: 1.505(D) HD2 :: 1.696(D) HE2 :: 3.015(D) HE3 :: 3.015(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 :: 122.735(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.752(D) CA :: 63.063(D) CB :: 32.186(D) CG :: 27.479(D) CD :: 50.655(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.422(D) HB2 :: 2.355(D) HB3 :: 1.874(D) HG2 :: 2.053(D) HG3 :: 2.053(D) HD2 :: 3.849(D) HD3 :: 3.627(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.Q16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.45 K 0.35 M 0.08 R 0.06 E 0.03 C Shift Assignments>> C :: 174.331(D) CA :: 53.384(D) CB :: 29.014(D) CG :: 33.654(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.746(D) HA :: 4.636(D) HB2 :: 2.124(D) HB3 :: 1.978(D) HG2 :: 2.492(D) HG3 :: 2.489(D) HE21 :: 6.971(D) HE22 :: 7.628(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 :: 123.655(D) NE2 :: 112.825(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.057(D) CA :: 63.031(D) CB :: 32.130(D) CG :: 27.443(D) CD :: 50.638(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 :: 4.403(D) HB2 :: 2.298(D) HB3 :: 1.852(D) HG2 :: 2.003(D) HG3 :: 2.003(D) HD2 :: 3.816(D) HD3 :: 3.628(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.R18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> R 0.77 G 0.11 K 0.09 L 0.01 HN Overlap>> 1.Y71 1.Y71 C Shift Assignments>> C :: 174.049(D) CA :: 54.661(D) CB :: 29.810(D) CG :: 27.897(D) CD :: 43.300(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 :: 8.595(D) HA :: 4.503(D) HB2 :: 1.554(D) HB3 :: 1.347(D) HG2 :: 1.378(D) HG3 :: 1.675(D) HD2 :: 2.805(D) HD3 :: 2.093(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.042(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.P19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.117(D) CA :: 62.429(D) CB :: 32.488(D) CG :: 27.566(D) CD :: 50.661(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 :: 4.475(D) HB2 :: 2.421(D) HB3 :: 1.680(D) HG2 :: 2.228(D) HG3 :: 2.063(D) HD2 :: 3.326(D) HD3 :: 4.013(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.E20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.62 I 0.16 K 0.08 M 0.06 Q 0.05 C Shift Assignments>> C :: 176.828(D) CA :: 58.685(D) CB :: 29.955(D) CG :: 36.429(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 :: 8.472(D) HA :: 3.940(D) HB2 :: 1.986(D) HB3 :: 1.986(D) HG2 :: 2.344(D) HG3 :: 2.279(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 :: 120.163(D) Ave N Shift Values>> N :: 120.67(3.48) 1.K21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.79 R 0.18 G 0.01 C Shift Assignments>> C :: 173.168(D) CA :: 53.765(D) CB :: 32.023(D) CG :: 24.723(D) CD :: 29.240(D) CE :: 42.179(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 :: 8.418(D) HA :: 4.522(D) HB2 :: 1.754(D) HB3 :: 1.754(D) HG2 :: 1.360(D) HG3 :: 1.338(D) HD2 :: 1.679(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.525(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.208(D) CA :: 62.157(D) CB :: 32.046(D) CG :: 27.188(D) CD :: 50.368(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 :: 4.371(D) HB2 :: 1.571(D) HB3 :: 1.008(D) HG2 :: 1.765(D) HG3 :: 1.669(D) HD2 :: 3.689(D) HD3 :: 3.425(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.V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 173.496(D) CA :: 62.695(D) CB :: 31.650(D) CG1 :: 21.655(D) CG2 :: 21.654(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.280(D) HA :: 3.873(D) HB :: 2.109(D) HG11 :: 0.879(D) HG12 :: 0.879(D) HG13 :: 0.879(D) HG21 :: 0.675(D) HG22 :: 0.675(D) HG23 :: 0.675(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 :: 124.376(D) Ave N Shift Values>> N :: 121.14(4.54) 1.F24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.99 C Shift Assignments>> C :: 174.968(D) CA :: 56.843(D) CB :: 41.726(D) CD1 :: 131.909(D) CD2 :: 131.909(D) CE1 :: 130.684(D) CE2 :: 130.684(D) CZ :: 128.950(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 :: 8.370(D) HA :: 5.451(D) HB2 :: 2.852(D) HB3 :: 2.772(D) HD1 :: 7.092(D) HD2 :: 7.092(D) HE1 :: 6.960(D) HE2 :: 6.960(D) HZ :: 6.979(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 :: 125.749(D) Ave N Shift Values>> N :: 120.45(4.18) 1.L25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.14 C Shift Assignments>> C :: 174.855(D) CA :: 53.276(D) CB :: 45.793(D) CG :: 27.980(D) CD1 :: 26.733(D) CD2 :: 25.897(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 :: 9.458(D) HA :: 5.377(D) HB2 :: 1.783(D) HB3 :: 1.200(D) HG :: 1.589(D) HD11 :: 0.771(D) HD12 :: 0.771(D) HD13 :: 0.771(D) HD21 :: 0.870(D) HD22 :: 0.870(D) HD23 :: 0.870(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 :: 128.264(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.004(D) CA :: 56.211(D) CB :: 65.585(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.225(D) HA :: 5.554(D) HB2 :: 3.611(D) HB3 :: 3.558(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.698(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 175.830(D) CA :: 60.553(D) CB :: 33.650(D) CG1 :: 21.667(D) CG2 :: 21.796(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.031(D) HA :: 4.949(D) HB :: 1.839(D) HG11 :: 0.956(D) HG12 :: 0.956(D) HG13 :: 0.956(D) HG21 :: 0.852(D) HG22 :: 0.852(D) HG23 :: 0.852(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.107(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.78 R 0.21 C Shift Assignments>> C :: 177.483(D) CA :: 54.610(D) CB :: 33.271(D) CG :: 25.638(D) CD :: 27.852(D) CE :: 41.671(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 :: 8.142(D) HA :: 4.529(D) HB2 :: 2.189(D) HB3 :: 2.039(D) HG2 :: 1.389(D) HG3 :: 1.297(D) HD2 :: 1.426(D) HD3 :: 1.291(D) HE2 :: 2.348(D) HE3 :: 2.348(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 :: 125.146(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.51 M 0.44 I 0.02 C Shift Assignments>> C :: 177.674(D) CA :: 54.877(D) CB :: 18.500(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.815(D) HA :: 3.906(D) HB1 :: 1.440(D) HB2 :: 1.440(D) HB3 :: 1.440(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.611(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.45 D 0.25 F 0.09 Y 0.09 L 0.08 C Shift Assignments>> C :: 176.228(D) CA :: 53.514(D) CB :: 39.297(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.934(D) HA :: 4.445(D) HB2 :: 3.026(D) HB3 :: 2.599(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 :: 115.356(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.63 K 0.33 G 0.02 C Shift Assignments>> C :: 174.712(D) CA :: 58.415(D) CB :: 29.312(D) CG :: 26.103(D) CD :: 29.403(D) CE :: 42.321(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 :: 8.509(D) HA :: 3.592(D) HB2 :: 2.252(D) HB3 :: 2.021(D) HG2 :: 1.409(D) HG3 :: 1.349(D) HD2 :: 1.768(D) HD3 :: 1.679(D) HE2 :: 3.055(D) HE3 :: 3.055(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 :: 112.877(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.36 E 0.21 K 0.21 M 0.19 C Shift Assignments>> C :: 174.526(D) CA :: 56.144(D) CB :: 30.186(D) CG :: 34.457(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 :: 7.795(D) HA :: 4.152(D) HB2 :: 2.099(D) HB3 :: 2.053(D) HG2 :: 2.112(D) HE21 :: 6.863(D) HE22 :: 7.968(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 :: 119.273(D) NE2 :: 116.902(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.67 G 0.26 R 0.06 C Shift Assignments>> C :: 177.090(D) CA :: 54.159(D) CB :: 44.036(D) CG :: 27.183(D) CD1 :: 25.196(D) CD2 :: 25.328(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 :: 8.246(D) HA :: 5.195(D) HB2 :: 1.984(D) HB3 :: 1.229(D) HG :: 1.815(D) HD11 :: 0.842(D) HD12 :: 0.842(D) HD13 :: 0.842(D) HD21 :: 0.876(D) HD22 :: 0.876(D) HD23 :: 0.876(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 :: 124.238(D) Ave N Shift Values>> N :: 121.86(3.9) 1.Y34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.96 G 0.03 C Shift Assignments>> C :: 175.991(D) CA :: 56.874(D) CB :: 42.404(D) CD1 :: 132.703(D) CD2 :: 132.703(D) CE1 :: 118.155(D) CE2 :: 118.155(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 :: 9.133(D) HA :: 5.145(D) HB2 :: 2.745(D) HB3 :: 2.675(D) HD1 :: 6.706(D) HD2 :: 6.706(D) HE1 :: 6.659(D) HE2 :: 6.659(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.534(D) Ave N Shift Values>> N :: 120.52(4.2) 1.V35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.773(D) CA :: 61.394(D) CB :: 32.064(D) CG1 :: 21.471(D) CG2 :: 21.471(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.636(D) HB :: 1.832(D) HG11 :: 0.779(D) HG12 :: 0.779(D) HG13 :: 0.779(D) HG21 :: 0.779(D) HG22 :: 0.779(D) HG23 :: 0.779(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.791(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 P 0.05 A 0.04 L 0.04 N 0.01 C Shift Assignments>> C :: 174.798(D) CA :: 47.586(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.125(D) HA2 :: 4.123(D) HA3 :: 3.780(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.804(D) Ave N Shift Values>> N :: 109.67(3.87) 1.D37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.35 L 0.22 N 0.14 F 0.09 K 0.08 Y 0.07 C Shift Assignments>> C :: 175.453(D) CA :: 54.047(D) CB :: 40.949(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 :: 8.863(D) HA :: 4.658(D) HB2 :: 2.761(D) HB3 :: 2.761(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.980(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.48 Q 0.32 K 0.17 C Shift Assignments>> C :: 172.750(D) CA :: 52.755(D) CB :: 30.607(D) CG :: 32.821(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 :: 8.230(D) HA :: 4.891(D) HB2 :: 2.265(D) HB3 :: 2.061(D) HG2 :: 2.367(D) HG3 :: 2.367(D) HE21 :: 7.613(D) HE22 :: 6.951(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.570(D) NE2 :: 112.277(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.079(D) CA :: 62.194(D) CB :: 31.370(D) CG :: 26.994(D) CD :: 50.787(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 :: 4.166(D) HB2 :: 1.657(D) HB3 :: 1.584(D) HG2 :: 2.086(D) HG3 :: 1.967(D) HD2 :: 3.927(D) HD3 :: 3.863(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.V40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.98 C Shift Assignments>> C :: 173.945(D) CA :: 59.461(D) CB :: 35.798(D) CG1 :: 21.843(D) CG2 :: 20.851(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.228(D) HA :: 4.486(D) HB :: 1.899(D) HG11 :: 0.795(D) HG12 :: 0.795(D) HG13 :: 0.795(D) HG21 :: 0.711(D) HG22 :: 0.711(D) HG23 :: 0.711(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 :: 118.682(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.61 D 0.23 L 0.05 F 0.04 Y 0.04 C Shift Assignments>> C :: 177.000(D) CA :: 51.880(D) CB :: 39.312(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.300(D) HA :: 4.844(D) HB2 :: 2.887(D) HB3 :: 2.823(D) HD21 :: 6.974(D) HD22 :: 7.740(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.013(D) ND2 :: 113.275(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.66 A 0.22 I 0.09 C Shift Assignments>> C :: 179.138(D) CA :: 56.182(D) CB :: 18.131(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.025(D) HA :: 3.824(D) HB1 :: 1.481(D) HB2 :: 1.481(D) HB3 :: 1.481(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.960(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.24 F 0.22 Y 0.2 L 0.15 N 0.12 I 0.02 K 0.01 C Shift Assignments>> C :: 177.197(D) CA :: 55.799(D) CB :: 39.986(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 :: 8.414(D) HA :: 4.462(D) HB2 :: 2.778(D) HB3 :: 2.696(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 :: 114.493(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.39 M 0.28 K 0.18 E 0.11 C Shift Assignments>> C :: 176.086(D) CA :: 55.276(D) CB :: 30.463(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 :: 7.798(D) HA :: 4.546(D) HB2 :: 2.286(D) HB3 :: 2.034(D) HG2 :: 2.425(D) HG3 :: 2.424(D) HE21 :: 7.534(D) HE22 :: 6.860(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 :: 117.716(D) NE2 :: 112.618(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.86 R 0.1 G 0.02 C Shift Assignments>> C :: 177.366(D) CA :: 59.368(D) CB :: 42.109(D) CG :: 27.095(D) CD1 :: 24.472(D) CD2 :: 25.487(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 :: 7.317(D) HA :: 3.760(D) HB2 :: 1.807(D) HB3 :: 1.483(D) HG :: 1.441(D) HD11 :: 0.752(D) HD12 :: 0.752(D) HD13 :: 0.752(D) HD21 :: 0.781(D) HD22 :: 0.781(D) HD23 :: 0.781(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 :: 120.568(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 175.469(D) CA :: 67.482(D) CB :: 67.678(D) CG2 :: 22.477(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 :: 8.602(D) HA :: 3.710(D) HB :: 4.262(D) HG21 :: 1.297(D) HG22 :: 1.297(D) HG23 :: 1.297(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 :: 111.994(D) Ave N Shift Values>> N :: 115.42(4.75) 1.S47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.595(D) CA :: 61.464(D) CB :: 62.813(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.932(D) HA :: 4.285(D) HB2 :: 3.980(D) HB3 :: 3.980(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.073(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 178.917(D) CA :: 66.703(D) CB :: 31.870(D) CG1 :: 23.091(D) CG2 :: 21.180(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.063(D) HA :: 3.823(D) HB :: 1.963(D) HG11 :: 1.054(D) HG12 :: 1.054(D) HG13 :: 1.054(D) HG21 :: 0.876(D) HG22 :: 0.876(D) HG23 :: 0.876(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 :: 122.912(D) Ave N Shift Values>> N :: 121.14(4.54) 1.L49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.98 HN Overlap>> 1.T73 1.T73 C Shift Assignments>> C :: 179.053(D) CA :: 58.771(D) CB :: 41.510(D) CG :: 25.951(D) CD1 :: 23.131(D) CD2 :: 23.131(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 :: 8.657(D) HA :: 3.823(D) HB2 :: 1.739(D) HB3 :: 0.725(D) HG :: 0.261(S) HD11 :: 0.435(D) HD12 :: 0.435(D) HD13 :: 0.435(D) HD21 :: 0.435(D) HD22 :: 0.435(D) HD23 :: 0.435(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 :: 120.117(D) Ave N Shift Values>> N :: 121.86(3.9) 1.D50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.34 F 0.33 I 0.1 D 0.09 L 0.07 N 0.02 C Shift Assignments>> C :: 179.673(D) CA :: 57.615(D) CB :: 39.584(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 :: 8.754(D) HA :: 4.294(D) HB2 :: 3.014(D) HB3 :: 2.602(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.617(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Q51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.36 K 0.35 E 0.11 R 0.08 I 0.06 M 0.01 C Shift Assignments>> C :: 178.964(D) CA :: 59.250(D) CB :: 28.393(D) CG :: 34.036(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 :: 7.958(D) HA :: 4.127(D) HB2 :: 2.332(D) HB3 :: 2.332(D) HG2 :: 2.635(D) HG3 :: 2.449(D) HE21 :: 7.438(D) HE22 :: 6.850(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 :: 119.783(D) NE2 :: 111.739(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.66 K 0.31 L 0.01 HN Overlap>> 1.T80 1.T80 C Shift Assignments>> C :: 178.572(D) CA :: 57.007(D) CB :: 30.195(D) CG :: 26.938(D) CD :: 41.902(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 :: 8.133(D) HA :: 4.263(D) HB2 :: 2.085(D) HB3 :: 2.011(D) HG2 :: 1.946(D) HG3 :: 1.601(D) HD2 :: 3.258(D) HD3 :: 3.258(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.729(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.T53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 176.433(D) CA :: 61.492(D) CB :: 71.206(D) CG2 :: 20.952(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 :: 8.631(D) HA :: 4.473(D) HG21 :: 1.348(D) HG22 :: 1.348(D) HG23 :: 1.348(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 107.680(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.46 Q 0.26 R 0.12 E 0.07 I 0.06 C Shift Assignments>> C :: 175.246(D) CA :: 57.794(D) CB :: 26.105(D) CG :: 34.597(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 :: 7.769(D) HA :: 3.955(D) HB2 :: 2.367(D) HB3 :: 2.250(D) HG2 :: 2.348(D) HG3 :: 2.348(D) HE21 :: 6.828(D) HE22 :: 7.574(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 :: 118.843(D) NE2 :: 112.662(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.64 M 0.34 C Shift Assignments>> C :: 174.789(D) CA :: 52.568(D) CB :: 17.014(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.104(D) HA :: 3.655(D) HB1 :: 1.350(D) HB2 :: 1.350(D) HB3 :: 1.350(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.732(D) Ave N Shift Values>> N :: 123.23(3.54) 1.N56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.78 D 0.07 Y 0.04 F 0.03 M 0.02 E 0.01 L 0.01 C Shift Assignments>> C :: 176.595(D) CA :: 51.758(D) CB :: 37.695(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 :: 7.629(D) HA :: 4.903(D) HB2 :: 3.156(D) HB3 :: 2.835(D) HD21 :: 7.446(D) HD22 :: 6.984(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 :: 116.577(D) ND2 :: 110.290(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> R 0.74 K 0.17 G 0.04 L 0.03 C Shift Assignments>> C :: 177.382(D) CA :: 56.347(D) CB :: 30.064(D) CG :: 24.863(D) CD :: 27.108(D) CE :: 42.887(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 :: 8.720(D) HA :: 3.839(D) HB2 :: 1.958(D) HB3 :: 1.564(D) HG2 :: 1.086(D) HG3 :: 1.086(D) HD2 :: 0.852(S) HD3 :: 0.681(S) HE2 :: 2.796(D) HE3 :: 2.796(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.026(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.64 K 0.14 I 0.1 Q 0.06 M 0.02 C Shift Assignments>> C :: 175.587(D) CA :: 56.227(D) CB :: 28.895(D) CG :: 36.633(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 :: 8.051(D) HA :: 4.245(D) HB2 :: 2.245(D) HB3 :: 2.040(D) HG2 :: 2.320(D) HG3 :: 2.205(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 :: 117.598(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 172.565(D) CA :: 64.006(D) CB :: 70.672(D) CG2 :: 21.238(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 :: 7.314(D) HA :: 3.913(D) HB :: 4.085(D) HG21 :: 1.309(D) HG22 :: 1.309(D) HG23 :: 1.309(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 :: 117.600(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.L81 1.L81 C Shift Assignments>> C :: 171.967(D) CA :: 63.835(D) CB :: 68.968(D) CG2 :: 21.185(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 :: 8.387(D) HA :: 4.005(D) HB :: 3.654(D) HG21 :: 0.012(S) HG22 :: 0.012(S) HG23 :: 0.012(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 123.479(D) Ave N Shift Values>> N :: 115.42(4.75) 1.I61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.56 I 0.42 C Shift Assignments>> C :: 175.304(D) CA :: 57.562(D) CB :: 36.361(D) CG1 :: 26.707(D) CG2 :: 17.814(D) CD1 :: 8.977(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 :: 8.432(D) HA :: 4.197(D) HB :: 2.065(D) HG12 :: 1.827(D) HG13 :: 0.951(D) HG21 :: 0.693(D) HG22 :: 0.693(D) HG23 :: 0.693(D) HD11 :: 0.355(D) HD12 :: 0.355(D) HD13 :: 0.355(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.453(D) Ave N Shift Values>> N :: 121.46(4.28) 1.F62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.99 C Shift Assignments>> C :: 173.878(D) CA :: 58.786(D) CB :: 39.628(D) CD1 :: 131.807(D) CD2 :: 131.807(D) CE1 :: 130.862(D) CE2 :: 130.862(D) CZ :: 128.780(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 :: 8.697(D) HA :: 4.841(D) HB2 :: 2.411(D) HB3 :: 2.411(D) HD1 :: 6.923(D) HD2 :: 6.923(D) HE1 :: 7.219(D) HE2 :: 7.219(D) HZ :: 7.216(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 :: 127.126(D) Ave N Shift Values>> N :: 120.45(4.18) 1.F63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.96 G 0.03 C Shift Assignments>> C :: 173.153(D) CA :: 56.457(D) CB :: 42.468(D) CD1 :: 131.212(D) CD2 :: 131.212(D) CE1 :: 130.826(D) CE2 :: 130.826(D) CZ :: 128.280(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.477(D) HA :: 5.518(D) HB2 :: 3.148(D) HB3 :: 2.560(D) HD1 :: 7.008(D) HD2 :: 7.008(D) HE1 :: 6.885(D) HE2 :: 6.885(D) HZ :: 6.745(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 :: 126.775(D) Ave N Shift Values>> N :: 120.45(4.18) 1.Q64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.7 Q 0.22 E 0.05 K 0.01 C Shift Assignments>> C :: 172.632(D) CA :: 53.670(D) CB :: 32.068(D) CG :: 34.044(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 :: 8.558(D) HA :: 4.654(D) HB2 :: 1.929(D) HB3 :: 1.798(D) HG2 :: 2.210(D) HG3 :: 2.129(D) HE21 :: 7.001(D) HE22 :: 6.383(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 :: 126.790(D) NE2 :: 109.530(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A65 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> A 0.97 M 0.01 L 0.01 C Shift Assignments>> C :: 175.824(D) CA :: 49.691(D) CB :: 20.318(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.328(D) HA :: 4.818(D) HB1 :: 0.429(S) HB2 :: 0.429(S) HB3 :: 0.429(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.990(D) Ave N Shift Values>> N :: 123.23(3.54) 1.D66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.22 D 0.19 K 0.11 F 0.06 Y 0.03 G 0.02 N 0.01 C Shift Assignments>> C :: 176.365(D) CA :: 54.604(D) CB :: 42.776(D) Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.289(D) HA :: 4.593(D) HB2 :: 2.672(D) HB3 :: 2.590(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.349(D) Ave N Shift Values>> N :: 120.65(3.86) 1.K67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.88 R 0.09 G 0.01 C Shift Assignments>> C :: 175.632(D) CA :: 59.925(D) CB :: 33.046(D) CG :: 24.613(D) CD :: 29.540(D) CE :: 42.175(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 :: 8.536(D) HA :: 4.156(D) HB2 :: 1.988(D) HB3 :: 1.988(D) HG2 :: 1.575(D) HG3 :: 1.575(D) HD2 :: 1.712(D) HD3 :: 1.712(D) HE2 :: 3.035(D) HE3 :: 3.035(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 :: 119.714(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.514(D) CA :: 58.986(D) CB :: 64.576(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.031(D) HA :: 4.553(D) HB2 :: 4.166(D) HB3 :: 3.942(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 :: 109.540(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.K99 1.K99 C Shift Assignments>> C :: 175.354(D) CA :: 64.678(D) CB :: 31.686(D) CG1 :: 24.530(D) CG2 :: 20.682(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 :: 7.888(D) HA :: 3.863(D) HB :: 2.063(D) HG11 :: 0.963(D) HG12 :: 0.963(D) HG13 :: 0.963(D) HG21 :: 1.030(D) HG22 :: 1.030(D) HG23 :: 1.030(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.916(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.33 D 0.25 R 0.18 K 0.07 F 0.04 G 0.04 N 0.03 Y 0.02 C Shift Assignments>> C :: 176.431(D) CA :: 53.106(D) CB :: 42.835(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 :: 8.320(D) HA :: 5.162(D) HB2 :: 3.645(S) HB3 :: 2.688(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.857(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 HN Overlap>> 1.R18 1.R18 C Shift Assignments>> C :: 177.587(D) CA :: 62.037(D) CB :: 39.678(D) CD1 :: 133.053(D) CD2 :: 133.053(D) CE1 :: 117.773(D) CE2 :: 117.773(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 :: 8.492(D) HA :: 4.234(D) HB2 :: 3.176(D) HB3 :: 3.071(D) HD1 :: 6.971(D) HD2 :: 6.971(D) HE1 :: 6.840(D) HE2 :: 6.840(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 :: 123.022(D) Ave N Shift Values>> N :: 120.52(4.2) 1.E72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.54 I 0.26 K 0.09 Q 0.05 M 0.03 C Shift Assignments>> C :: 179.386(D) CA :: 59.811(D) CB :: 29.739(D) CG :: 36.157(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 :: 8.524(D) HA :: 3.989(D) HB2 :: 2.163(D) HB3 :: 2.130(D) HG2 :: 2.253(D) HG3 :: 2.253(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 :: 118.050(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.L49 1.L49 C Shift Assignments>> C :: 176.366(D) CA :: 67.347(D) CB :: 67.394(D) CG2 :: 21.197(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 :: 8.666(D) HA :: 3.917(D) HB :: 4.441(D) HG21 :: 1.189(D) HG22 :: 1.189(D) HG23 :: 1.189(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 :: 120.087(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.85 R 0.11 G 0.02 C Shift Assignments>> C :: 178.397(D) CA :: 59.358(D) CB :: 42.104(D) CG :: 26.923(D) CD1 :: 25.670(D) CD2 :: 25.460(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 :: 8.485(D) HA :: 3.736(D) HB2 :: 1.504(D) HB3 :: 1.934(D) HG :: 1.339(D) HD11 :: 0.770(D) HD12 :: 0.770(D) HD13 :: 0.770(D) HD21 :: 0.682(D) HD22 :: 0.682(D) HD23 :: 0.682(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 :: 123.242(D) Ave N Shift Values>> N :: 121.86(3.9) 1.M75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.77 A 0.22 C Shift Assignments>> C :: 179.002(D) CA :: 56.815(D) CB :: 32.273(D) CG :: 33.596(D) CE :: 18.602(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 :: 8.462(D) HA :: 4.128(D) HB2 :: 2.068(D) HB3 :: 1.766(D) HG2 :: 2.209(D) HG3 :: 1.799(D) HE1 :: 1.717(D) HE2 :: 1.717(D) HE3 :: 1.717(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 :: 115.319(D) Ave N Shift Values>> N :: 120.09(3.57) 1.S76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 177.737(D) CA :: 61.410(D) CB :: 62.909(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.156(D) HA :: 4.335(D) HB2 :: 4.152(D) HB3 :: 4.152(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 :: 117.133(D) Ave N Shift Values>> N :: 116.28(3.52) 1.V77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 HN Overlap>> 1.V89 1.V89 C Shift Assignments>> C :: 178.147(D) CA :: 67.032(D) CB :: 31.144(D) CG1 :: 23.084(D) CG2 :: 22.296(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.341(D) HA :: 3.626(D) HB :: 2.142(D) HG11 :: 1.097(D) HG12 :: 1.097(D) HG13 :: 1.097(D) HG21 :: 0.780(D) HG22 :: 0.780(D) HG23 :: 0.780(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.302(D) Ave N Shift Values>> N :: 121.14(4.54) 1.M78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.93 A 0.06 C Shift Assignments>> C :: 178.096(D) CA :: 58.369(D) CB :: 32.338(D) CG :: 33.592(D) CE :: 18.576(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 :: 8.202(D) HA :: 4.181(D) HB2 :: 2.297(D) HB3 :: 1.790(D) HG2 :: 2.570(D) HG3 :: 2.476(D) HE1 :: 1.401(D) HE2 :: 1.401(D) HE3 :: 1.401(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 :: 118.010(D) Ave N Shift Values>> N :: 120.09(3.57) 1.D79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.22 Y 0.17 L 0.15 D 0.08 R 0.05 I 0.04 C Shift Assignments>> C :: 178.206(D) CA :: 57.884(D) CB :: 41.545(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 :: 8.219(D) HA :: 4.401(D) HB2 :: 2.845(D) HB3 :: 2.776(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 :: 119.257(D) Ave N Shift Values>> N :: 120.65(3.86) 1.T80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 HN Overlap>> 1.R52 1.R52 C Shift Assignments>> C :: 177.171(D) CA :: 67.281(D) CB :: 68.357(D) CG2 :: 22.834(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 :: 8.099(D) HA :: 3.840(D) HB :: 4.395(D) HG21 :: 1.274(D) HG22 :: 1.274(D) HG23 :: 1.274(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 :: 117.733(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.99 HN Overlap>> 1.T60 1.T60 C Shift Assignments>> C :: 178.532(D) CA :: 58.857(D) CB :: 40.195(D) CG :: 26.777(D) CD1 :: 25.661(D) CD2 :: 23.582(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 :: 8.399(D) HA :: 3.919(D) HB2 :: 1.994(D) HB3 :: 1.863(D) HG :: 1.686(D) HD11 :: 0.739(D) HD12 :: 0.739(D) HD13 :: 0.739(D) HD21 :: 0.657(D) HD22 :: 0.657(D) HD23 :: 0.657(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 :: 123.423(D) Ave N Shift Values>> N :: 121.86(3.9) 1.R82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.62 G 0.35 C Shift Assignments>> C :: 180.614(D) CA :: 59.129(D) CB :: 29.917(D) CG :: 27.189(D) CD :: 44.151(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 :: 8.335(D) HA :: 3.850(D) HB2 :: 1.907(D) HB3 :: 1.907(D) HG2 :: 1.791(D) HG3 :: 1.743(D) HD2 :: 3.201(D) HD3 :: 3.201(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 :: 119.067(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.K83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.58 R 0.4 G 0.01 C Shift Assignments>> C :: 178.074(D) CA :: 59.522(D) CB :: 32.344(D) CG :: 26.485(D) CD :: 29.295(D) CE :: 42.086(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 :: 8.153(D) HA :: 3.966(D) HB2 :: 1.899(D) HB3 :: 1.899(D) HG2 :: 1.622(D) HG3 :: 1.436(D) HD2 :: 1.675(D) HD3 :: 1.622(D) HE2 :: 2.955(D) HE3 :: 2.955(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 :: 121.378(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.92 M 0.03 L 0.03 C Shift Assignments>> C :: 176.286(D) CA :: 52.351(D) CB :: 20.283(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.723(D) HA :: 4.471(D) HB1 :: 1.758(D) HB2 :: 1.758(D) HB3 :: 1.758(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.620(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.13 R 0.03 F 0.01 C Shift Assignments>> C :: 173.364(D) CA :: 45.054(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.779(D) HA2 :: 4.048(D) HA3 :: 3.449(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.152(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Y86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.99 C Shift Assignments>> C :: 172.832(D) CA :: 59.375(D) CB :: 38.287(D) CD1 :: 133.724(D) CD2 :: 133.724(D) CE1 :: 118.051(D) CE2 :: 118.051(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 :: 7.780(D) HA :: 4.487(D) HB2 :: 3.059(D) HB3 :: 2.508(D) HD1 :: 7.103(D) HD2 :: 7.103(D) HE1 :: 6.689(D) HE2 :: 6.689(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 :: 122.778(D) Ave N Shift Values>> N :: 120.52(4.2) 1.L87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.68 A 0.3 C Shift Assignments>> C :: 177.558(D) CA :: 54.007(D) CB :: 40.468(D) CG :: 26.990(D) CD1 :: 24.961(D) CD2 :: 21.785(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 :: 7.360(D) HA :: 4.381(D) HB2 :: 1.511(D) HB3 :: 2.238(D) HG :: 1.488(D) HD11 :: 0.907(D) HD12 :: 0.907(D) HD13 :: 0.907(D) HD21 :: 0.656(D) HD22 :: 0.656(D) HD23 :: 0.656(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.000(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K88 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 :: 174.339(D) CA :: 55.280(D) CB :: 32.349(D) CG :: 24.246(D) CD :: 29.197(D) CE :: 42.294(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 :: 9.191(D) HA :: 4.852(D) HB2 :: 1.566(D) HB3 :: 1.854(D) HG2 :: 1.403(D) HG3 :: 1.368(D) HD2 :: 1.644(D) HD3 :: 1.593(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 :: 121.417(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.96 A 0.01 L 0.01 HN Overlap>> 1.V77 1.V77 C Shift Assignments>> C :: 175.236(D) CA :: 59.189(D) CB :: 36.496(D) CG1 :: 22.480(D) CG2 :: 21.648(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.247(D) HA :: 5.054(D) HB :: 1.737(D) HG11 :: 0.792(D) HG12 :: 0.792(D) HG13 :: 0.792(D) HG21 :: 0.763(D) HG22 :: 0.763(D) HG23 :: 0.763(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.298(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.31 R 0.3 G 0.24 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.115(D) CA :: 43.953(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.728(D) HA2 :: 2.800(D) HA3 :: 2.800(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.166(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.94 A 0.04 C Shift Assignments>> C :: 176.624(D) CA :: 54.850(D) CB :: 41.332(D) CG :: 26.569(D) CD1 :: 24.679(D) CD2 :: 23.235(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 :: 9.435(D) HB2 :: 1.867(D) HB3 :: 1.867(D) HG :: 1.699(D) HD11 :: 0.723(D) HD12 :: 0.723(D) HD13 :: 0.723(D) HD21 :: 0.732(D) HD22 :: 0.732(D) HD23 :: 0.732(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.832(D) Ave N Shift Values>> N :: 121.86(3.9) 1.V92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.99 C Shift Assignments>> C :: 177.750(D) CA :: 62.544(D) CB :: 32.754(D) CG1 :: 21.617(D) CG2 :: 21.588(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.877(D) HA :: 4.502(D) HB :: 2.301(D) HG11 :: 1.158(D) HG12 :: 1.158(D) HG13 :: 1.158(D) HG21 :: 1.158(D) HG22 :: 1.158(D) HG23 :: 1.158(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.288(D) Ave N Shift Values>> N :: 121.14(4.54) 1.G93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 173.951(D) CA :: 45.287(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.036(D) HA2 :: 4.242(D) HA3 :: 4.124(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.902(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.83 A 0.16 C Shift Assignments>> C :: 176.546(D) CA :: 56.250(D) CB :: 33.002(D) CG :: 32.966(D) CE :: 17.342(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 :: 8.807(D) HA :: 4.422(D) HB2 :: 2.144(D) HB3 :: 2.144(D) HG2 :: 2.082(D) HG3 :: 2.082(D) HE1 :: 2.040(D) HE2 :: 2.040(D) HE3 :: 2.040(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.533(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.62 M 0.15 K 0.09 Q 0.08 I 0.04 C Shift Assignments>> C :: 176.889(D) CA :: 56.759(D) CB :: 30.272(D) CG :: 36.282(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 :: 8.700(D) HA :: 4.274(D) HB2 :: 2.057(D) HB3 :: 1.933(D) HG2 :: 2.243(D) HG3 :: 2.243(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.359(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.11 R 0.01 F 0.01 C Shift Assignments>> C :: 173.707(D) CA :: 45.209(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.453(D) HA2 :: 3.965(D) HA3 :: 3.885(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.139(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 M 0.07 C Shift Assignments>> C :: 177.354(D) CA :: 52.297(D) CB :: 19.519(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.183(D) HA :: 4.293(D) HB1 :: 1.362(D) HB2 :: 1.362(D) HB3 :: 1.362(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.812(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 176.716(D) CA :: 52.431(D) CB :: 19.270(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.303(D) HA :: 4.286(D) HB1 :: 1.354(D) HB2 :: 1.354(D) HB3 :: 1.354(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.086(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.84 R 0.13 G 0.01 HN Overlap>> 1.V69 1.V69 C Shift Assignments>> C :: 181.323(D) CA :: 57.570(D) CB :: 33.737(D) CG :: 24.641(D) CD :: 29.134(D) CE :: 42.195(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 :: 7.890(D) HA :: 4.105(D) HB2 :: 1.785(D) HB3 :: 1.670(D) HG2 :: 1.361(D) HG3 :: 1.361(D) HD2 :: 1.638(D) HD3 :: 1.638(D) HE2 :: 2.962(D) HE3 :: 2.962(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 :: 125.845(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 1 #Clerical: 92 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 97 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 99 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 438 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 686 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 99 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V2 C = 174.334(D), Expected = 175.62, Std = 1.9000, ChiSquare = 4.9851e-01 1.V2 CA = 61.164(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.4291e-01 1.V2 CB = 33.495(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.6911e-01 1.V2 CG1 = 21.249(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.5935e-01 1.V2 CG2 = 20.237(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.1197e-01 1.V2 HA = 4.315(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.2936e-01 1.V2 HB = 2.039(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.5372e-01 1.V2 HG11 = 0.851(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.3563e-01 1.V2 HG12 = 0.851(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.3563e-01 1.V2 HG13 = 0.851(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.3563e-01 1.V2 HG21 = 0.851(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5547e-01 1.V2 HG22 = 0.851(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5547e-01 1.V2 HG23 = 0.851(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5547e-01 1.D3 C = 175.693(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.8621e-01 1.D3 CA = 53.825(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.7003e-01 1.D3 CB = 41.528(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.8916e-01 1.D3 H = 8.361(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.2993e-01 1.D3 HA = 5.030(D), Expected = 4.59, Std = 0.3200, ChiSquare = 1.6913e-01 1.D3 HB2 = 2.596(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.3342e-01 1.D3 HB3 = 2.408(D), Expected = 2.66, Std = 0.2800, ChiSquare = 3.6812e-01 1.D3 N = 124.601(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.0604e-01 1.I4 C = 175.617(D), Expected = 175.85, Std = 1.9200, ChiSquare = 9.0341e-01 1.I4 CA = 61.103(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.4995e-01 1.I4 CB = 39.989(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.0109e-01 1.I4 CG1 = 27.965(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.7936e-01 1.I4 CG2 = 18.216(D), Expected = 17.53, Std = 1.3600, ChiSquare = 6.1397e-01 1.I4 CD1 = 13.567(D), Expected = 13.43, Std = 1.6700, ChiSquare = 9.3462e-01 1.I4 H = 8.577(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.6228e-01 1.I4 HA = 4.140(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.4306e-01 1.I4 HB = 1.870(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.5630e-01 1.I4 HG12 = 1.765(D), Expected = 1.28, Std = 0.4000, ChiSquare = 2.2532e-01 1.I4 HG13 = 0.873(D), Expected = 1.19, Std = 0.4100, ChiSquare = 4.3942e-01 1.I4 HG21 = 0.774(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.8818e-01 1.I4 HG22 = 0.774(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.8818e-01 1.I4 HG23 = 0.774(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.8818e-01 1.I4 HD11 = 0.792(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9934e-01 1.I4 HD12 = 0.792(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9934e-01 1.I4 HD13 = 0.792(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9934e-01 1.I4 N = 122.435(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.1980e-01 1.R5 C = 174.965(D), Expected = 176.41, Std = 2.0300, ChiSquare = 4.7657e-01 1.R5 CA = 55.862(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.9426e-01 1.R5 CB = 30.250(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.0576e-01 1.R5 CG = 27.812(D), Expected = 27.21, Std = 1.2000, ChiSquare = 6.1590e-01 1.R5 CD = 42.585(D), Expected = 43.16, Std = 0.8800, ChiSquare = 5.1349e-01 1.R5 H = 8.188(D), Expected = 8.24, Std = 0.6100, ChiSquare = 9.3207e-01 1.R5 HA = 4.770(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.0690e-01 1.R5 HB2 = 1.918(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.3545e-01 1.R5 HB3 = 1.918(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.7256e-01 1.R5 HG2 = 1.734(D), Expected = 1.57, Std = 0.2700, ChiSquare = 5.4358e-01 1.R5 HG3 = 1.522(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.5051e-01 1.R5 HD2 = 3.114(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.8006e-01 1.R5 HD3 = 3.114(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.5706e-01 1.R5 N = 128.269(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.2395e-02 1.V6 C = 173.664(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.0326e-01 1.V6 CA = 61.019(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.0702e-01 1.V6 CB = 34.853(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.3561e-01 1.V6 CG1 = 21.684(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.8657e-01 1.V6 CG2 = 21.714(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.7103e-01 1.V6 H = 9.056(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.5292e-01 1.V6 HA = 4.466(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.3417e-01 1.V6 HB = 1.841(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.6402e-01 1.V6 HG11 = 0.767(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0854e-01 1.V6 HG12 = 0.767(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0854e-01 1.V6 HG13 = 0.767(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0854e-01 1.V6 HG21 = 0.713(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.5602e-01 1.V6 HG22 = 0.713(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.5602e-01 1.V6 HG23 = 0.713(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.5602e-01 1.V6 N = 125.120(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.8068e-01 1.D7 C = 175.696(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.8747e-01 1.D7 CA = 52.349(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.4883e-01 1.D7 CB = 41.941(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.1251e-01 1.D7 H = 8.908(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.0252e-01 1.D7 HA = 5.485(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.1599e-03 1.D7 HB2 = 2.567(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.5622e-01 1.D7 HB3 = 2.524(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.2717e-01 1.D7 N = 127.983(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.7467e-02 1.L8 C = 173.972(D), Expected = 176.99, Std = 1.9800, ChiSquare = 1.2745e-01 1.L8 CA = 52.492(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.4196e-01 1.L8 CB = 41.916(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.3400e-01 1.L8 CG = 26.962(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.6859e-01 1.L8 CD1 = 26.369(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.9969e-01 1.L8 CD2 = 24.619(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.3785e-01 1.L8 H = 9.664(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.7373e-02 1.L8 HA = 4.443(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.9355e-01 1.L8 HB2 = 1.897(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.9860e-01 1.L8 HB3 = 1.055(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.9647e-01 1.L8 HG = 1.638(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.9811e-01 1.L8 HD11 = 1.057(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7289e-01 1.L8 HD12 = 1.057(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7289e-01 1.L8 HD13 = 1.057(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7289e-01 1.L8 HD21 = 0.811(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8001e-01 1.L8 HD22 = 0.811(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8001e-01 1.L8 HD23 = 0.811(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.8001e-01 1.L8 N = 125.977(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.9113e-01 1.P9 C = 176.789(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.7939e-01 1.P9 CA = 61.993(D), Expected = 63.33, Std = 1.5200, ChiSquare = 3.7907e-01 1.P9 CB = 31.493(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.6224e-01 1.P9 CG = 27.628(D), Expected = 27.17, Std = 1.0900, ChiSquare = 6.7435e-01 1.P9 CD = 50.326(D), Expected = 50.32, Std = 0.9900, ChiSquare = 9.9516e-01 1.P9 HA = 4.479(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.1080e-01 1.P9 HB2 = 2.275(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.7743e-01 1.P9 HB3 = 1.810(D), Expected = 2.00, Std = 0.3600, ChiSquare = 5.9765e-01 1.P9 HG2 = 2.104(D), Expected = 1.93, Std = 0.3100, ChiSquare = 5.7460e-01 1.P9 HG3 = 1.949(D), Expected = 1.90, Std = 0.3300, ChiSquare = 8.8196e-01 1.P9 HD2 = 3.964(D), Expected = 3.65, Std = 0.3500, ChiSquare = 3.6964e-01 1.P9 HD3 = 3.309(D), Expected = 3.61, Std = 0.3900, ChiSquare = 4.4024e-01 1.A10 C = 180.038(D), Expected = 177.74, Std = 2.1300, ChiSquare = 2.8064e-01 1.A10 CA = 52.064(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.8683e-01 1.A10 CB = 18.762(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.9220e-01 1.A10 H = 8.662(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.4130e-01 1.A10 HA = 4.280(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.6375e-01 1.A10 HB1 = 1.433(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.4955e-01 1.A10 HB2 = 1.433(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.4955e-01 1.A10 HB3 = 1.433(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.4955e-01 1.A10 N = 124.516(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.1640e-01 1.S11 H = 9.339(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.2667e-02 1.S11 N = 118.424(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.4246e-01 1.S12 C = 174.191(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.0304e-01 1.S12 CA = 57.556(D), Expected = 58.72, Std = 2.0700, ChiSquare = 5.7390e-01 1.S12 CB = 63.508(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.4359e-01 1.S12 HA = 4.417(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.7485e-01 1.S12 HB2 = 4.049(D), Expected = 3.88, Std = 0.2500, ChiSquare = 4.9904e-01 1.S12 HB3 = 3.797(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.4438e-01 1.A13 C = 177.512(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.1476e-01 1.A13 CA = 52.534(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.5956e-01 1.A13 CB = 20.000(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.8852e-01 1.A13 H = 7.523(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.5918e-01 1.A13 HA = 4.250(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.8187e-01 1.A13 HB1 = 1.441(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.2634e-01 1.A13 HB2 = 1.441(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.2634e-01 1.A13 HB3 = 1.441(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.2634e-01 1.A13 N = 125.046(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.0796e-01 1.K14 C = 174.782(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.5289e-01 1.K14 CA = 53.941(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.7140e-01 1.K14 CB = 32.118(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.0578e-01 1.K14 CG = 24.772(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.1683e-01 1.K14 CD = 29.130(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.7492e-01 1.K14 CE = 42.196(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.0902e-01 1.K14 H = 8.529(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.7207e-01 1.K14 HA = 4.583(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.7686e-01 1.K14 HB2 = 1.834(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.2899e-01 1.K14 HB3 = 1.704(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.9393e-01 1.K14 HG2 = 1.560(D), Expected = 1.37, Std = 0.2600, ChiSquare = 4.6492e-01 1.K14 HG3 = 1.505(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.7987e-01 1.K14 HD2 = 1.696(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.9586e-01 1.K14 HE2 = 3.015(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.1707e-01 1.K14 HE3 = 3.015(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.9958e-01 1.K14 N = 122.735(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.5491e-01 1.P15 C = 176.752(D), Expected = 176.75, Std = 1.5100, ChiSquare = 9.9894e-01 1.P15 CA = 63.063(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.6056e-01 1.P15 CB = 32.186(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.7584e-01 1.P15 CG = 27.479(D), Expected = 27.17, Std = 1.0900, ChiSquare = 7.7680e-01 1.P15 CD = 50.655(D), Expected = 50.32, Std = 0.9900, ChiSquare = 7.3507e-01 1.P15 HA = 4.422(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.4685e-01 1.P15 HB2 = 2.355(D), Expected = 2.08, Std = 0.3500, ChiSquare = 4.3204e-01 1.P15 HB3 = 1.874(D), Expected = 2.00, Std = 0.3600, ChiSquare = 7.2634e-01 1.P15 HG2 = 2.053(D), Expected = 1.93, Std = 0.3100, ChiSquare = 6.9153e-01 1.P15 HG3 = 2.053(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.4291e-01 1.P15 HD2 = 3.849(D), Expected = 3.65, Std = 0.3500, ChiSquare = 5.6965e-01 1.P15 HD3 = 3.627(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.6523e-01 1.Q16 C = 174.331(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.1017e-01 1.Q16 CA = 53.384(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.3654e-01 1.Q16 CB = 29.014(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.2296e-01 1.Q16 CG = 33.654(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.2392e-01 1.Q16 H = 8.746(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.7265e-01 1.Q16 HA = 4.636(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.0551e-01 1.Q16 HB2 = 2.124(D), Expected = 2.05, Std = 0.2500, ChiSquare = 7.6723e-01 1.Q16 HB3 = 1.978(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.8076e-01 1.Q16 HG2 = 2.492(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.2410e-01 1.Q16 HG3 = 2.489(D), Expected = 2.29, Std = 0.2900, ChiSquare = 4.9258e-01 1.Q16 HE21 = 6.971(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.4999e-01 1.Q16 HE22 = 7.628(D), Expected = 7.02, Std = 0.4400, ChiSquare = 1.6703e-01 1.Q16 N = 123.655(D), Expected = 119.89, Std = 3.6000, ChiSquare = 2.9564e-01 1.Q16 NE2 = 112.825(D), Expected = 111.87, Std = 1.7200, ChiSquare = 5.7874e-01 1.P17 C = 177.057(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.3889e-01 1.P17 CA = 63.031(D), Expected = 63.33, Std = 1.5200, ChiSquare = 8.4405e-01 1.P17 CB = 32.130(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.1243e-01 1.P17 CG = 27.443(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.0223e-01 1.P17 CD = 50.638(D), Expected = 50.32, Std = 0.9900, ChiSquare = 7.4805e-01 1.P17 HA = 4.403(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.9275e-01 1.P17 HB2 = 2.298(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.3338e-01 1.P17 HB3 = 1.852(D), Expected = 2.00, Std = 0.3600, ChiSquare = 6.8099e-01 1.P17 HG2 = 2.003(D), Expected = 1.93, Std = 0.3100, ChiSquare = 8.1383e-01 1.P17 HG3 = 2.003(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.5495e-01 1.P17 HD2 = 3.816(D), Expected = 3.65, Std = 0.3500, ChiSquare = 6.3530e-01 1.P17 HD3 = 3.628(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.6319e-01 1.R18 C = 174.049(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.4481e-01 1.R18 CA = 54.661(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.6125e-01 1.R18 CB = 29.810(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.2673e-01 1.R18 CG = 27.897(D), Expected = 27.21, Std = 1.2000, ChiSquare = 5.6698e-01 1.R18 CD = 43.300(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.7360e-01 1.R18 H = 8.595(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.6059e-01 1.R18 HA = 4.503(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.5899e-01 1.R18 HB2 = 1.554(D), Expected = 1.79, Std = 0.2700, ChiSquare = 3.8208e-01 1.R18 HB3 = 1.347(D), Expected = 1.76, Std = 0.2800, ChiSquare = 1.4021e-01 1.R18 HG2 = 1.378(D), Expected = 1.57, Std = 0.2700, ChiSquare = 4.7702e-01 1.R18 HG3 = 1.675(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.4156e-01 1.R18 HD2 = 2.805(D), Expected = 3.12, Std = 0.2400, ChiSquare = 1.8935e-01 1.R18 HD3 = 2.093(S), Expected = 3.10, Std = 0.2600, ChiSquare = 1.0747e-04 1.R18 N = 123.042(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.4237e-01 1.P19 C = 175.117(D), Expected = 176.75, Std = 1.5100, ChiSquare = 2.7949e-01 1.P19 CA = 62.429(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.5334e-01 1.P19 CB = 32.488(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.8873e-01 1.P19 CG = 27.566(D), Expected = 27.17, Std = 1.0900, ChiSquare = 7.1638e-01 1.P19 CD = 50.661(D), Expected = 50.32, Std = 0.9900, ChiSquare = 7.3051e-01 1.P19 HA = 4.475(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.2021e-01 1.P19 HB2 = 2.421(D), Expected = 2.08, Std = 0.3500, ChiSquare = 3.2991e-01 1.P19 HB3 = 1.680(D), Expected = 2.00, Std = 0.3600, ChiSquare = 3.7406e-01 1.P19 HG2 = 2.228(D), Expected = 1.93, Std = 0.3100, ChiSquare = 3.3641e-01 1.P19 HG3 = 2.063(D), Expected = 1.90, Std = 0.3300, ChiSquare = 6.2135e-01 1.P19 HD2 = 3.326(D), Expected = 3.65, Std = 0.3500, ChiSquare = 3.5459e-01 1.P19 HD3 = 4.013(D), Expected = 3.61, Std = 0.3900, ChiSquare = 3.0145e-01 1.E20 C = 176.828(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.8282e-01 1.E20 CA = 58.685(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.1369e-01 1.E20 CB = 29.955(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.7449e-01 1.E20 CG = 36.429(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.8865e-01 1.E20 H = 8.472(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.0980e-01 1.E20 HA = 3.940(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.4959e-01 1.E20 HB2 = 1.986(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.7138e-01 1.E20 HB3 = 1.986(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.8612e-01 1.E20 HG2 = 2.344(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.2455e-01 1.E20 HG3 = 2.279(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.9513e-01 1.E20 N = 120.163(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.8417e-01 1.K21 C = 173.168(D), Expected = 176.64, Std = 2.0000, ChiSquare = 8.2564e-02 1.K21 CA = 53.765(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.4769e-01 1.K21 CB = 32.023(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.6654e-01 1.K21 CG = 24.723(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.8251e-01 1.K21 CD = 29.240(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.9544e-01 1.K21 CE = 42.179(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.2451e-01 1.K21 H = 8.418(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.0395e-01 1.K21 HA = 4.522(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.6683e-01 1.K21 HB2 = 1.754(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.1717e-01 1.K21 HB3 = 1.754(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.5865e-01 1.K21 HG2 = 1.360(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.6932e-01 1.K21 HG3 = 1.338(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.6582e-01 1.K21 HD2 = 1.679(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.5380e-01 1.K21 N = 117.525(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.4978e-01 1.P22 C = 176.208(D), Expected = 176.75, Std = 1.5100, ChiSquare = 7.1964e-01 1.P22 CA = 62.157(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.4029e-01 1.P22 CB = 32.046(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.6808e-01 1.P22 CG = 27.188(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.8682e-01 1.P22 CD = 50.368(D), Expected = 50.32, Std = 0.9900, ChiSquare = 9.6133e-01 1.P22 HA = 4.371(D), Expected = 4.40, Std = 0.3300, ChiSquare = 9.2997e-01 1.P22 HB2 = 1.571(D), Expected = 2.08, Std = 0.3500, ChiSquare = 1.4587e-01 1.P22 HB3 = 1.008(D), Expected = 2.00, Std = 0.3600, ChiSquare = 5.8593e-03 1.P22 HG2 = 1.765(D), Expected = 1.93, Std = 0.3100, ChiSquare = 5.9455e-01 1.P22 HG3 = 1.669(D), Expected = 1.90, Std = 0.3300, ChiSquare = 4.8393e-01 1.P22 HD2 = 3.689(D), Expected = 3.65, Std = 0.3500, ChiSquare = 9.1128e-01 1.P22 HD3 = 3.425(D), Expected = 3.61, Std = 0.3900, ChiSquare = 6.3524e-01 1.V23 C = 173.496(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.6361e-01 1.V23 CA = 62.695(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.4286e-01 1.V23 CB = 31.650(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.4627e-01 1.V23 CG1 = 21.655(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.0344e-01 1.V23 CG2 = 21.654(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.0060e-01 1.V23 H = 9.280(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.3951e-01 1.V23 HA = 3.873(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.8469e-01 1.V23 HB = 2.109(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.8686e-01 1.V23 HG11 = 0.879(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.5051e-01 1.V23 HG12 = 0.879(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.5051e-01 1.V23 HG13 = 0.879(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.5051e-01 1.V23 HG21 = 0.675(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5529e-01 1.V23 HG22 = 0.675(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5529e-01 1.V23 HG23 = 0.675(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.5529e-01 1.V23 N = 124.376(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.7598e-01 1.F24 C = 174.968(D), Expected = 175.42, Std = 1.9900, ChiSquare = 8.2032e-01 1.F24 CA = 56.843(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.3029e-01 1.F24 CB = 41.726(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.0619e-01 1.F24 CD1 = 131.909(D), Expected = 131.58, Std = 1.1800, ChiSquare = 7.8039e-01 1.F24 CD2 = 131.909(D), Expected = 131.63, Std = 1.1200, ChiSquare = 8.0328e-01 1.F24 CE1 = 130.684(D), Expected = 130.71, Std = 1.3000, ChiSquare = 9.8404e-01 1.F24 CE2 = 130.684(D), Expected = 130.76, Std = 1.1300, ChiSquare = 9.4638e-01 1.F24 CZ = 128.950(D), Expected = 129.21, Std = 1.4300, ChiSquare = 8.5573e-01 1.F24 H = 8.370(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.8892e-01 1.F24 HA = 5.451(D), Expected = 4.63, Std = 0.5700, ChiSquare = 1.4977e-01 1.F24 HB2 = 2.852(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.8916e-01 1.F24 HB3 = 2.772(D), Expected = 2.93, Std = 0.4000, ChiSquare = 6.9284e-01 1.F24 HD1 = 7.092(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.1778e-01 1.F24 HD2 = 7.092(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.1778e-01 1.F24 HE1 = 6.960(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.9868e-01 1.F24 HE2 = 6.960(D), Expected = 7.08, Std = 0.3200, ChiSquare = 7.0766e-01 1.F24 HZ = 6.979(D), Expected = 7.00, Std = 0.4200, ChiSquare = 9.6012e-01 1.F24 N = 125.749(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.0490e-01 1.L25 C = 174.855(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.8091e-01 1.L25 CA = 53.276(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7113e-01 1.L25 CB = 45.793(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.3931e-02 1.L25 CG = 27.980(D), Expected = 26.78, Std = 1.1000, ChiSquare = 2.7531e-01 1.L25 CD1 = 26.733(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.0550e-01 1.L25 CD2 = 25.897(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.7727e-01 1.L25 H = 9.458(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.8861e-02 1.L25 HA = 5.377(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.4517e-02 1.L25 HB2 = 1.783(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.1088e-01 1.L25 HB3 = 1.200(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.7406e-01 1.L25 HG = 1.589(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.1080e-01 1.L25 HD11 = 0.771(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4021e-01 1.L25 HD12 = 0.771(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4021e-01 1.L25 HD13 = 0.771(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4021e-01 1.L25 HD21 = 0.870(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.2927e-01 1.L25 HD22 = 0.870(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.2927e-01 1.L25 HD23 = 0.870(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.2927e-01 1.L25 N = 128.264(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.0058e-01 1.S26 C = 173.004(D), Expected = 174.62, Std = 1.7200, ChiSquare = 3.4746e-01 1.S26 CA = 56.211(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.2548e-01 1.S26 CB = 65.585(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.2779e-01 1.S26 H = 9.225(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.0922e-01 1.S26 HA = 5.554(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.2530e-03 1.S26 HB2 = 3.611(D), Expected = 3.88, Std = 0.2500, ChiSquare = 2.8193e-01 1.S26 HB3 = 3.558(D), Expected = 3.85, Std = 0.2700, ChiSquare = 2.7948e-01 1.S26 N = 118.698(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.9213e-01 1.V27 C = 175.830(D), Expected = 175.62, Std = 1.9000, ChiSquare = 9.1199e-01 1.V27 CA = 60.553(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.9823e-01 1.V27 CB = 33.650(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.0728e-01 1.V27 CG1 = 21.667(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.9645e-01 1.V27 CG2 = 21.796(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.3115e-01 1.V27 H = 8.031(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.9908e-01 1.V27 HA = 4.949(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.9066e-01 1.V27 HB = 1.839(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.5948e-01 1.V27 HG11 = 0.956(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2795e-01 1.V27 HG12 = 0.956(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2795e-01 1.V27 HG13 = 0.956(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.2795e-01 1.V27 HG21 = 0.852(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5267e-01 1.V27 HG22 = 0.852(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5267e-01 1.V27 HG23 = 0.852(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5267e-01 1.V27 N = 121.107(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.9420e-01 1.K28 C = 177.483(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.7339e-01 1.K28 CA = 54.610(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.8749e-01 1.K28 CB = 33.271(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.8699e-01 1.K28 CG = 25.638(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.0801e-01 1.K28 CD = 27.852(D), Expected = 28.96, Std = 1.0800, ChiSquare = 3.0493e-01 1.K28 CE = 41.671(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.8941e-01 1.K28 H = 8.142(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.3624e-01 1.K28 HA = 4.529(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.5611e-01 1.K28 HB2 = 2.189(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.0184e-01 1.K28 HB3 = 2.039(D), Expected = 1.74, Std = 0.2700, ChiSquare = 2.6812e-01 1.K28 HG2 = 1.389(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.4175e-01 1.K28 HG3 = 1.297(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.4987e-01 1.K28 HD2 = 1.426(D), Expected = 1.61, Std = 0.2200, ChiSquare = 4.0295e-01 1.K28 HD3 = 1.291(D), Expected = 1.60, Std = 0.2200, ChiSquare = 1.6016e-01 1.K28 HE2 = 2.348(D), Expected = 2.92, Std = 0.1900, ChiSquare = 2.6080e-03 1.K28 HE3 = 2.348(D), Expected = 2.91, Std = 0.2000, ChiSquare = 4.9542e-03 1.K28 N = 125.146(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.7727e-01 1.A29 C = 177.674(D), Expected = 177.74, Std = 2.1300, ChiSquare = 9.7528e-01 1.A29 CA = 54.877(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.8034e-01 1.A29 CB = 18.500(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.8048e-01 1.A29 H = 8.815(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.0536e-01 1.A29 HA = 3.906(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.2108e-01 1.A29 HB1 = 1.440(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.2923e-01 1.A29 HB2 = 1.440(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.2923e-01 1.A29 HB3 = 1.440(D), Expected = 1.35, Std = 0.2600, ChiSquare = 7.2923e-01 1.A29 N = 121.611(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.4742e-01 1.D30 C = 176.228(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.2171e-01 1.D30 CA = 53.514(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.6238e-01 1.D30 CB = 39.297(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.2849e-01 1.D30 H = 7.934(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.1681e-01 1.D30 HA = 4.445(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.5046e-01 1.D30 HB2 = 3.026(D), Expected = 2.72, Std = 0.2600, ChiSquare = 2.3923e-01 1.D30 HB3 = 2.599(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.2754e-01 1.D30 N = 115.356(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.7022e-01 1.K31 C = 174.712(D), Expected = 176.64, Std = 2.0000, ChiSquare = 3.3505e-01 1.K31 CA = 58.415(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.0547e-01 1.K31 CB = 29.312(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.0709e-02 1.K31 CG = 26.103(D), Expected = 24.89, Std = 1.1300, ChiSquare = 2.8307e-01 1.K31 CD = 29.403(D), Expected = 28.96, Std = 1.0800, ChiSquare = 6.8167e-01 1.K31 CE = 42.321(D), Expected = 41.89, Std = 0.8200, ChiSquare = 5.9916e-01 1.K31 H = 8.509(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.9496e-01 1.K31 HA = 3.592(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.2334e-01 1.K31 HB2 = 2.252(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.9026e-02 1.K31 HB3 = 2.021(D), Expected = 1.74, Std = 0.2700, ChiSquare = 2.9800e-01 1.K31 HG2 = 1.409(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.8076e-01 1.K31 HG3 = 1.349(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.9715e-01 1.K31 HD2 = 1.768(D), Expected = 1.61, Std = 0.2200, ChiSquare = 4.7265e-01 1.K31 HD3 = 1.679(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.1953e-01 1.K31 HE2 = 3.055(D), Expected = 2.92, Std = 0.1900, ChiSquare = 4.7738e-01 1.K31 HE3 = 3.055(D), Expected = 2.91, Std = 0.2000, ChiSquare = 4.6845e-01 1.K31 N = 112.877(D), Expected = 121.05, Std = 3.7700, ChiSquare = 3.0166e-02 1.Q32 C = 174.526(D), Expected = 176.31, Std = 1.9500, ChiSquare = 3.6026e-01 1.Q32 CA = 56.144(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.4221e-01 1.Q32 CB = 30.186(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.8421e-01 1.Q32 CG = 34.457(D), Expected = 33.76, Std = 1.1100, ChiSquare = 5.3005e-01 1.Q32 H = 7.795(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.7132e-01 1.Q32 HA = 4.152(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.8856e-01 1.Q32 HB2 = 2.099(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.4461e-01 1.Q32 HB3 = 2.053(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.0618e-01 1.Q32 HG2 = 2.112(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.4108e-01 1.Q32 HE21 = 6.863(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.0216e-01 1.Q32 HE22 = 7.968(D), Expected = 7.02, Std = 0.4400, ChiSquare = 3.1197e-02 1.Q32 N = 119.273(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.6392e-01 1.Q32 NE2 = 116.902(D), Expected = 111.87, Std = 1.7200, ChiSquare = 3.4381e-03 1.L33 C = 177.090(D), Expected = 176.99, Std = 1.9800, ChiSquare = 9.5972e-01 1.L33 CA = 54.159(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.9277e-01 1.L33 CB = 44.036(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.5857e-01 1.L33 CG = 27.183(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.1409e-01 1.L33 CD1 = 25.196(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.6466e-01 1.L33 CD2 = 25.328(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.5219e-01 1.L33 H = 8.246(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.8036e-01 1.L33 HA = 5.195(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.2645e-02 1.L33 HB2 = 1.984(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.7133e-01 1.L33 HB3 = 1.229(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.1890e-01 1.L33 HG = 1.815(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.5536e-01 1.L33 HD11 = 0.842(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.4248e-01 1.L33 HD12 = 0.842(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.4248e-01 1.L33 HD13 = 0.842(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.4248e-01 1.L33 HD21 = 0.876(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.1465e-01 1.L33 HD22 = 0.876(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.1465e-01 1.L33 HD23 = 0.876(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.1465e-01 1.L33 N = 124.238(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.4203e-01 1.Y34 C = 175.991(D), Expected = 175.40, Std = 1.9900, ChiSquare = 7.6648e-01 1.Y34 CA = 56.874(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.1679e-01 1.Y34 CB = 42.404(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.5336e-01 1.Y34 CD1 = 132.703(D), Expected = 132.77, Std = 1.1700, ChiSquare = 9.5433e-01 1.Y34 CD2 = 132.703(D), Expected = 132.73, Std = 1.3000, ChiSquare = 9.8343e-01 1.Y34 CE1 = 118.155(D), Expected = 117.93, Std = 1.1900, ChiSquare = 8.5003e-01 1.Y34 CE2 = 118.155(D), Expected = 117.90, Std = 1.1800, ChiSquare = 8.2891e-01 1.Y34 H = 9.133(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.6541e-01 1.Y34 HA = 5.145(D), Expected = 4.63, Std = 0.5600, ChiSquare = 3.5776e-01 1.Y34 HB2 = 2.745(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.5564e-01 1.Y34 HB3 = 2.675(D), Expected = 2.84, Std = 0.3900, ChiSquare = 6.7224e-01 1.Y34 HD1 = 6.706(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.5527e-01 1.Y34 HD2 = 6.706(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.5527e-01 1.Y34 HE1 = 6.659(D), Expected = 6.70, Std = 0.2300, ChiSquare = 8.5852e-01 1.Y34 HE2 = 6.659(D), Expected = 6.71, Std = 0.2300, ChiSquare = 8.2452e-01 1.Y34 N = 120.534(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.9734e-01 1.V35 C = 177.773(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.5715e-01 1.V35 CA = 61.394(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.0156e-01 1.V35 CB = 32.064(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.0984e-01 1.V35 CG1 = 21.471(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.8885e-01 1.V35 CG2 = 21.471(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.9241e-01 1.V35 H = 8.636(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.0556e-01 1.V35 HB = 1.832(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.4372e-01 1.V35 HG11 = 0.779(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.4449e-01 1.V35 HG12 = 0.779(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.4449e-01 1.V35 HG13 = 0.779(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.4449e-01 1.V35 HG21 = 0.779(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4021e-01 1.V35 HG22 = 0.779(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4021e-01 1.V35 HG23 = 0.779(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4021e-01 1.V35 N = 120.791(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.3873e-01 1.G36 C = 174.798(D), Expected = 173.87, Std = 1.8800, ChiSquare = 6.2158e-01 1.G36 CA = 47.586(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5185e-02 1.G36 H = 9.125(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.2130e-01 1.G36 HA2 = 4.123(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.7923e-01 1.G36 HA3 = 3.780(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.4569e-01 1.G36 N = 118.804(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.8265e-02 1.D37 C = 175.453(D), Expected = 176.40, Std = 1.7500, ChiSquare = 5.8841e-01 1.D37 CA = 54.047(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.5143e-01 1.D37 CB = 40.949(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.6603e-01 1.D37 H = 8.863(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.4036e-01 1.D37 HA = 4.658(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.3172e-01 1.D37 HB2 = 2.761(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.7470e-01 1.D37 HB3 = 2.761(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.1831e-01 1.D37 N = 125.980(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.6733e-01 1.Q38 C = 172.750(D), Expected = 176.31, Std = 1.9500, ChiSquare = 6.7905e-02 1.Q38 CA = 52.755(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.4634e-02 1.Q38 CB = 30.607(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.3623e-01 1.Q38 CG = 32.821(D), Expected = 33.76, Std = 1.1100, ChiSquare = 3.9758e-01 1.Q38 H = 8.230(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.8648e-01 1.Q38 HA = 4.891(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.5814e-01 1.Q38 HB2 = 2.265(D), Expected = 2.05, Std = 0.2500, ChiSquare = 3.8979e-01 1.Q38 HB3 = 2.061(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.8358e-01 1.Q38 HG2 = 2.367(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.6181e-01 1.Q38 HG3 = 2.367(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.9061e-01 1.Q38 HE21 = 7.613(D), Expected = 7.24, Std = 0.4500, ChiSquare = 4.0717e-01 1.Q38 HE22 = 6.951(D), Expected = 7.02, Std = 0.4400, ChiSquare = 8.7539e-01 1.Q38 N = 122.570(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.5661e-01 1.Q38 NE2 = 112.277(D), Expected = 111.87, Std = 1.7200, ChiSquare = 8.1295e-01 1.P39 C = 177.079(D), Expected = 176.75, Std = 1.5100, ChiSquare = 8.2752e-01 1.P39 CA = 62.194(D), Expected = 63.33, Std = 1.5200, ChiSquare = 4.5484e-01 1.P39 CB = 31.370(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.8417e-01 1.P39 CG = 26.994(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.7173e-01 1.P39 CD = 50.787(D), Expected = 50.32, Std = 0.9900, ChiSquare = 6.3713e-01 1.P39 HA = 4.166(D), Expected = 4.40, Std = 0.3300, ChiSquare = 4.7827e-01 1.P39 HB2 = 1.657(D), Expected = 2.08, Std = 0.3500, ChiSquare = 2.2683e-01 1.P39 HB3 = 1.584(D), Expected = 2.00, Std = 0.3600, ChiSquare = 2.4786e-01 1.P39 HG2 = 2.086(D), Expected = 1.93, Std = 0.3100, ChiSquare = 6.1481e-01 1.P39 HG3 = 1.967(D), Expected = 1.90, Std = 0.3300, ChiSquare = 8.3911e-01 1.P39 HD2 = 3.927(D), Expected = 3.65, Std = 0.3500, ChiSquare = 4.2869e-01 1.P39 HD3 = 3.863(D), Expected = 3.61, Std = 0.3900, ChiSquare = 5.1652e-01 1.V40 C = 173.945(D), Expected = 175.62, Std = 1.9000, ChiSquare = 3.7800e-01 1.V40 CA = 59.461(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.8956e-01 1.V40 CB = 35.798(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.6535e-02 1.V40 CG1 = 21.843(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.9520e-01 1.V40 CG2 = 20.851(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.9318e-01 1.V40 H = 8.228(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2627e-01 1.V40 HA = 4.486(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.0981e-01 1.V40 HB = 1.899(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.0017e-01 1.V40 HG11 = 0.795(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.9292e-01 1.V40 HG12 = 0.795(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.9292e-01 1.V40 HG13 = 0.795(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.9292e-01 1.V40 HG21 = 0.711(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.5059e-01 1.V40 HG22 = 0.711(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.5059e-01 1.V40 HG23 = 0.711(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.5059e-01 1.V40 N = 118.682(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.8823e-01 1.N41 C = 177.000(D), Expected = 175.27, Std = 1.7900, ChiSquare = 3.3380e-01 1.N41 CA = 51.880(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.7725e-01 1.N41 CB = 39.312(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.1284e-01 1.N41 H = 8.300(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.4937e-01 1.N41 HA = 4.844(D), Expected = 4.67, Std = 0.3600, ChiSquare = 6.2886e-01 1.N41 HB2 = 2.887(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.0383e-01 1.N41 HB3 = 2.823(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.2493e-01 1.N41 HD21 = 6.974(D), Expected = 7.35, Std = 0.4800, ChiSquare = 4.3343e-01 1.N41 HD22 = 7.740(D), Expected = 7.14, Std = 0.4900, ChiSquare = 2.2077e-01 1.N41 N = 121.013(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.0524e-01 1.N41 ND2 = 113.275(D), Expected = 112.75, Std = 2.2300, ChiSquare = 8.1388e-01 1.A42 C = 179.138(D), Expected = 177.74, Std = 2.1300, ChiSquare = 5.1161e-01 1.A42 CA = 56.182(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.2445e-01 1.A42 CB = 18.131(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.3099e-01 1.A42 H = 9.025(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.6913e-01 1.A42 HA = 3.824(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.2173e-01 1.A42 HB1 = 1.481(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1437e-01 1.A42 HB2 = 1.481(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1437e-01 1.A42 HB3 = 1.481(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.1437e-01 1.A42 N = 123.960(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.3662e-01 1.D43 C = 177.197(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.4880e-01 1.D43 CA = 55.799(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.8486e-01 1.D43 CB = 39.986(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.8105e-01 1.D43 H = 8.414(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.5769e-01 1.D43 HA = 4.462(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.8916e-01 1.D43 HB2 = 2.778(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.2348e-01 1.D43 HB3 = 2.696(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.9770e-01 1.D43 N = 114.493(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.1069e-01 1.Q44 C = 176.086(D), Expected = 176.31, Std = 1.9500, ChiSquare = 9.0855e-01 1.Q44 CA = 55.276(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.4540e-01 1.Q44 CB = 30.463(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.8427e-01 1.Q44 CG = 34.014(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.1900e-01 1.Q44 H = 7.798(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.7445e-01 1.Q44 HA = 4.546(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.3048e-01 1.Q44 HB2 = 2.286(D), Expected = 2.05, Std = 0.2500, ChiSquare = 3.4517e-01 1.Q44 HB3 = 2.034(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.6012e-01 1.Q44 HG2 = 2.425(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.9736e-01 1.Q44 HG3 = 2.424(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.4403e-01 1.Q44 HE21 = 7.534(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.1354e-01 1.Q44 HE22 = 6.860(D), Expected = 7.02, Std = 0.4400, ChiSquare = 7.1613e-01 1.Q44 N = 117.716(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.4592e-01 1.Q44 NE2 = 112.618(D), Expected = 111.87, Std = 1.7200, ChiSquare = 6.6365e-01 1.L45 C = 177.366(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.4939e-01 1.L45 CA = 59.368(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.8472e-02 1.L45 CB = 42.109(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1486e-01 1.L45 CG = 27.095(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.7460e-01 1.L45 CD1 = 24.472(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.7605e-01 1.L45 CD2 = 25.487(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.9795e-01 1.L45 H = 7.317(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.6014e-01 1.L45 HA = 3.760(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.3346e-01 1.L45 HB2 = 1.807(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.6231e-01 1.L45 HB3 = 1.483(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.1814e-01 1.L45 HG = 1.441(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.3438e-01 1.L45 HD11 = 0.752(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.9430e-01 1.L45 HD12 = 0.752(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.9430e-01 1.L45 HD13 = 0.752(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.9430e-01 1.L45 HD21 = 0.781(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.6040e-01 1.L45 HD22 = 0.781(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.6040e-01 1.L45 HD23 = 0.781(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.6040e-01 1.L45 N = 120.568(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.4043e-01 1.T46 C = 175.469(D), Expected = 174.54, Std = 1.7600, ChiSquare = 5.9761e-01 1.T46 CA = 67.482(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.2188e-02 1.T46 CB = 67.678(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.0807e-01 1.T46 CG2 = 22.477(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.0364e-01 1.T46 H = 8.602(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.5931e-01 1.T46 HA = 3.710(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.1817e-01 1.T46 HB = 4.262(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.8041e-01 1.T46 HG21 = 1.297(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.9485e-01 1.T46 HG22 = 1.297(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.9485e-01 1.T46 HG23 = 1.297(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.9485e-01 1.T46 N = 111.994(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.7075e-01 1.S47 C = 177.595(D), Expected = 174.62, Std = 1.7200, ChiSquare = 8.3693e-02 1.S47 CA = 61.464(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.8497e-01 1.S47 CB = 62.813(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.0484e-01 1.S47 H = 7.932(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.5530e-01 1.S47 HA = 4.285(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.2590e-01 1.S47 HB2 = 3.980(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.8916e-01 1.S47 HB3 = 3.980(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.3017e-01 1.S47 N = 116.073(D), Expected = 116.28, Std = 3.5200, ChiSquare = 9.5311e-01 1.V48 C = 178.917(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.2694e-02 1.V48 CA = 66.703(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.4073e-01 1.V48 CB = 31.870(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.3091e-01 1.V48 CG1 = 23.091(D), Expected = 21.49, Std = 1.3600, ChiSquare = 2.3911e-01 1.V48 CG2 = 21.180(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.5910e-01 1.V48 H = 8.063(D), Expected = 8.29, Std = 0.6700, ChiSquare = 7.3476e-01 1.V48 HA = 3.823(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.2689e-01 1.V48 HB = 1.963(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.5763e-01 1.V48 HG11 = 1.054(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.8894e-01 1.V48 HG12 = 1.054(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.8894e-01 1.V48 HG13 = 1.054(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.8894e-01 1.V48 HG21 = 0.876(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8606e-01 1.V48 HG22 = 0.876(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8606e-01 1.V48 HG23 = 0.876(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.8606e-01 1.V48 N = 122.912(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.9631e-01 1.L49 C = 179.053(D), Expected = 176.99, Std = 1.9800, ChiSquare = 2.9745e-01 1.L49 CA = 58.771(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.3905e-01 1.L49 CB = 41.510(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.7045e-01 1.L49 CG = 25.951(D), Expected = 26.78, Std = 1.1000, ChiSquare = 4.5107e-01 1.L49 CD1 = 23.131(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.1762e-01 1.L49 CD2 = 23.131(D), Expected = 24.05, Std = 1.7000, ChiSquare = 5.8879e-01 1.L49 H = 8.657(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.1123e-01 1.L49 HA = 3.823(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.9031e-01 1.L49 HB2 = 1.739(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.0438e-01 1.L49 HB3 = 0.725(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.7221e-02 1.L49 HG = 0.261(S), Expected = 1.51, Std = 0.3300, ChiSquare = 1.5380e-04 1.L49 HD11 = 0.435(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6059e-01 1.L49 HD12 = 0.435(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6059e-01 1.L49 HD13 = 0.435(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.6059e-01 1.L49 HD21 = 0.435(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.0904e-01 1.L49 HD22 = 0.435(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.0904e-01 1.L49 HD23 = 0.435(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.0904e-01 1.L49 N = 120.117(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.5493e-01 1.D50 C = 179.673(D), Expected = 176.40, Std = 1.7500, ChiSquare = 6.1444e-02 1.D50 CA = 57.615(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.4962e-01 1.D50 CB = 39.584(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.2371e-01 1.D50 H = 8.754(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.4396e-01 1.D50 HA = 4.294(D), Expected = 4.59, Std = 0.3200, ChiSquare = 3.5497e-01 1.D50 HB2 = 3.014(D), Expected = 2.72, Std = 0.2600, ChiSquare = 2.5815e-01 1.D50 HB3 = 2.602(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.3590e-01 1.D50 N = 117.617(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.3201e-01 1.Q51 C = 178.964(D), Expected = 176.31, Std = 1.9500, ChiSquare = 1.7351e-01 1.Q51 CA = 59.250(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.1045e-01 1.Q51 CB = 28.393(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.6145e-01 1.Q51 CG = 34.036(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.0363e-01 1.Q51 H = 7.958(D), Expected = 8.22, Std = 0.5900, ChiSquare = 6.5699e-01 1.Q51 HA = 4.127(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.4518e-01 1.Q51 HB2 = 2.332(D), Expected = 2.05, Std = 0.2500, ChiSquare = 2.5932e-01 1.Q51 HB3 = 2.332(D), Expected = 2.02, Std = 0.2800, ChiSquare = 2.6516e-01 1.Q51 HG2 = 2.635(D), Expected = 2.32, Std = 0.2700, ChiSquare = 2.4334e-01 1.Q51 HG3 = 2.449(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.8350e-01 1.Q51 HE21 = 7.438(D), Expected = 7.24, Std = 0.4500, ChiSquare = 6.5994e-01 1.Q51 HE22 = 6.850(D), Expected = 7.02, Std = 0.4400, ChiSquare = 6.9923e-01 1.Q51 N = 119.783(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.7629e-01 1.Q51 NE2 = 111.739(D), Expected = 111.87, Std = 1.7200, ChiSquare = 9.3929e-01 1.R52 C = 178.572(D), Expected = 176.41, Std = 2.0300, ChiSquare = 2.8686e-01 1.R52 CA = 57.007(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.1828e-01 1.R52 CB = 30.195(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.8258e-01 1.R52 CG = 26.938(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.2068e-01 1.R52 CD = 41.902(D), Expected = 43.16, Std = 0.8800, ChiSquare = 1.5285e-01 1.R52 H = 8.133(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.6076e-01 1.R52 HA = 4.263(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.3589e-01 1.R52 HB2 = 2.085(D), Expected = 1.79, Std = 0.2700, ChiSquare = 2.7457e-01 1.R52 HB3 = 2.011(D), Expected = 1.76, Std = 0.2800, ChiSquare = 3.7002e-01 1.R52 HG2 = 1.946(D), Expected = 1.57, Std = 0.2700, ChiSquare = 1.6374e-01 1.R52 HG3 = 1.601(D), Expected = 1.54, Std = 0.2900, ChiSquare = 8.3340e-01 1.R52 HD2 = 3.258(D), Expected = 3.12, Std = 0.2400, ChiSquare = 5.6529e-01 1.R52 HD3 = 3.258(D), Expected = 3.10, Std = 0.2600, ChiSquare = 5.4339e-01 1.R52 N = 117.729(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.0399e-01 1.T53 C = 176.433(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.8212e-01 1.T53 CA = 61.492(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.7865e-01 1.T53 CB = 71.206(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.6519e-01 1.T53 CG2 = 20.952(D), Expected = 21.55, Std = 1.1100, ChiSquare = 5.9007e-01 1.T53 H = 8.631(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.2827e-01 1.T53 HA = 4.473(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.7839e-01 1.T53 HG21 = 1.348(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.6581e-01 1.T53 HG22 = 1.348(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.6581e-01 1.T53 HG23 = 1.348(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.6581e-01 1.T53 N = 107.680(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.0321e-01 1.Q54 C = 175.246(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.8531e-01 1.Q54 CA = 57.794(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.6735e-01 1.Q54 CB = 26.105(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.0065e-02 1.Q54 CG = 34.597(D), Expected = 33.76, Std = 1.1100, ChiSquare = 4.5082e-01 1.Q54 H = 7.769(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.4463e-01 1.Q54 HA = 3.955(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.7405e-01 1.Q54 HB2 = 2.367(D), Expected = 2.05, Std = 0.2500, ChiSquare = 2.0480e-01 1.Q54 HB3 = 2.250(D), Expected = 2.02, Std = 0.2800, ChiSquare = 4.1140e-01 1.Q54 HG2 = 2.348(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.1740e-01 1.Q54 HG3 = 2.348(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.4148e-01 1.Q54 HE21 = 6.828(D), Expected = 7.24, Std = 0.4500, ChiSquare = 3.5990e-01 1.Q54 HE22 = 7.574(D), Expected = 7.02, Std = 0.4400, ChiSquare = 2.0800e-01 1.Q54 N = 118.843(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.7118e-01 1.Q54 NE2 = 112.662(D), Expected = 111.87, Std = 1.7200, ChiSquare = 6.4518e-01 1.A55 C = 174.789(D), Expected = 177.74, Std = 2.1300, ChiSquare = 1.6592e-01 1.A55 CA = 52.568(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.7267e-01 1.A55 CB = 17.014(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.7540e-01 1.A55 H = 9.104(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.3190e-01 1.A55 HA = 3.655(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.6913e-01 1.A55 HB1 = 1.350(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0000e+00 1.A55 HB2 = 1.350(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0000e+00 1.A55 HB3 = 1.350(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.0000e+00 1.A55 N = 119.732(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.2309e-01 1.N56 C = 176.595(D), Expected = 175.27, Std = 1.7900, ChiSquare = 4.5916e-01 1.N56 CA = 51.758(D), Expected = 53.54, Std = 1.8800, ChiSquare = 3.4319e-01 1.N56 CB = 37.695(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.5602e-01 1.N56 H = 7.629(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.5908e-01 1.N56 HA = 4.903(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.1749e-01 1.N56 HB2 = 3.156(D), Expected = 2.81, Std = 0.3100, ChiSquare = 2.6437e-01 1.N56 HB3 = 2.835(D), Expected = 2.75, Std = 0.3300, ChiSquare = 7.9673e-01 1.N56 HD21 = 7.446(D), Expected = 7.35, Std = 0.4800, ChiSquare = 8.4148e-01 1.N56 HD22 = 6.984(D), Expected = 7.14, Std = 0.4900, ChiSquare = 7.5021e-01 1.N56 N = 116.577(D), Expected = 118.93, Std = 4.0300, ChiSquare = 5.5931e-01 1.N56 ND2 = 110.290(D), Expected = 112.75, Std = 2.2300, ChiSquare = 2.6997e-01 1.K57 C = 177.382(D), Expected = 176.64, Std = 2.0000, ChiSquare = 7.1064e-01 1.K57 CA = 56.347(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.8401e-01 1.K57 CB = 30.064(D), Expected = 32.79, Std = 1.7800, ChiSquare = 1.2566e-01 1.K57 CG = 24.863(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.8094e-01 1.K57 CD = 27.108(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.6379e-02 1.K57 CE = 42.887(D), Expected = 41.89, Std = 0.8200, ChiSquare = 2.2404e-01 1.K57 H = 8.720(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.7706e-01 1.K57 HA = 3.839(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.2731e-01 1.K57 HB2 = 1.958(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.7646e-01 1.K57 HB3 = 1.564(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.1450e-01 1.K57 HG2 = 1.086(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.7470e-01 1.K57 HG3 = 1.086(D), Expected = 1.35, Std = 0.2800, ChiSquare = 3.4575e-01 1.K57 HD2 = 0.852(S), Expected = 1.61, Std = 0.2200, ChiSquare = 5.7010e-04 1.K57 HD3 = 0.681(S), Expected = 1.60, Std = 0.2200, ChiSquare = 2.9503e-05 1.K57 HE2 = 2.796(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.1399e-01 1.K57 HE3 = 2.796(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.6868e-01 1.K57 N = 124.026(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.2988e-01 1.E58 C = 175.587(D), Expected = 176.87, Std = 1.9500, ChiSquare = 5.1057e-01 1.E58 CA = 56.227(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.0100e-01 1.E58 CB = 28.895(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.1682e-01 1.E58 CG = 36.633(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.6030e-01 1.E58 H = 8.051(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.3630e-01 1.E58 HA = 4.245(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.9027e-01 1.E58 HB2 = 2.245(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.8398e-01 1.E58 HB3 = 2.040(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.2790e-01 1.E58 HG2 = 2.320(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.1181e-01 1.E58 HG3 = 2.205(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.3793e-01 1.E58 N = 117.598(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.7737e-01 1.T59 C = 172.565(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.6179e-01 1.T59 CA = 64.006(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.9046e-01 1.T59 CB = 70.672(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.6332e-01 1.T59 CG2 = 21.238(D), Expected = 21.55, Std = 1.1100, ChiSquare = 7.7865e-01 1.T59 H = 7.314(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.3529e-01 1.T59 HA = 3.913(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.5446e-01 1.T59 HB = 4.085(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.9673e-01 1.T59 HG21 = 1.309(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.6247e-01 1.T59 HG22 = 1.309(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.6247e-01 1.T59 HG23 = 1.309(D), Expected = 1.14, Std = 0.2300, ChiSquare = 4.6247e-01 1.T59 N = 117.600(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.4627e-01 1.T60 C = 171.967(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.4376e-01 1.T60 CA = 63.835(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.3292e-01 1.T60 CB = 68.968(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.4015e-01 1.T60 CG2 = 21.185(D), Expected = 21.55, Std = 1.1100, ChiSquare = 7.4228e-01 1.T60 H = 8.387(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.1258e-01 1.T60 HA = 4.005(D), Expected = 4.46, Std = 0.4800, ChiSquare = 3.4317e-01 1.T60 HB = 3.654(D), Expected = 4.17, Std = 0.3300, ChiSquare = 1.1790e-01 1.T60 HG21 = 0.012(S), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3738e-07 1.T60 HG22 = 0.012(S), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3738e-07 1.T60 HG23 = 0.012(S), Expected = 1.14, Std = 0.2300, ChiSquare = 9.3738e-07 1.T60 N = 123.479(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.9766e-02 1.I61 C = 175.304(D), Expected = 175.85, Std = 1.9200, ChiSquare = 7.7612e-01 1.I61 CA = 57.562(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.3093e-01 1.I61 CB = 36.361(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.6132e-01 1.I61 CG1 = 26.707(D), Expected = 27.71, Std = 1.6800, ChiSquare = 5.5049e-01 1.I61 CG2 = 17.814(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.3459e-01 1.I61 CD1 = 8.977(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.6653e-03 1.I61 H = 8.432(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.2312e-01 1.I61 HA = 4.197(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.7578e-01 1.I61 HB = 2.065(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.2573e-01 1.I61 HG12 = 1.827(D), Expected = 1.28, Std = 0.4000, ChiSquare = 1.7147e-01 1.I61 HG13 = 0.951(D), Expected = 1.19, Std = 0.4100, ChiSquare = 5.5994e-01 1.I61 HG21 = 0.693(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.7550e-01 1.I61 HG22 = 0.693(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.7550e-01 1.I61 HG23 = 0.693(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.7550e-01 1.I61 HD11 = 0.355(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.6242e-01 1.I61 HD12 = 0.355(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.6242e-01 1.I61 HD13 = 0.355(D), Expected = 0.68, Std = 0.2900, ChiSquare = 2.6242e-01 1.I61 N = 127.453(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.6144e-01 1.F62 C = 173.878(D), Expected = 175.42, Std = 1.9900, ChiSquare = 4.3841e-01 1.F62 CA = 58.786(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.8354e-01 1.F62 CB = 39.628(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.6249e-01 1.F62 CD1 = 131.807(D), Expected = 131.58, Std = 1.1800, ChiSquare = 8.4745e-01 1.F62 CD2 = 131.807(D), Expected = 131.63, Std = 1.1200, ChiSquare = 8.7443e-01 1.F62 CE1 = 130.862(D), Expected = 130.71, Std = 1.3000, ChiSquare = 9.0692e-01 1.F62 CE2 = 130.862(D), Expected = 130.76, Std = 1.1300, ChiSquare = 9.2808e-01 1.F62 CZ = 128.780(D), Expected = 129.21, Std = 1.4300, ChiSquare = 7.6364e-01 1.F62 H = 8.697(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.3974e-01 1.F62 HA = 4.841(D), Expected = 4.63, Std = 0.5700, ChiSquare = 7.1125e-01 1.F62 HB2 = 2.411(D), Expected = 3.00, Std = 0.3700, ChiSquare = 1.1141e-01 1.F62 HB3 = 2.411(D), Expected = 2.93, Std = 0.4000, ChiSquare = 1.9446e-01 1.F62 HD1 = 6.923(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.5854e-01 1.F62 HD2 = 6.923(D), Expected = 7.06, Std = 0.3100, ChiSquare = 6.5854e-01 1.F62 HE1 = 7.219(D), Expected = 7.08, Std = 0.3100, ChiSquare = 6.5387e-01 1.F62 HE2 = 7.219(D), Expected = 7.08, Std = 0.3200, ChiSquare = 6.6402e-01 1.F62 HZ = 7.216(D), Expected = 7.00, Std = 0.4200, ChiSquare = 6.0705e-01 1.F62 N = 127.126(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.1024e-01 1.F63 C = 173.153(D), Expected = 175.42, Std = 1.9900, ChiSquare = 2.5462e-01 1.F63 CA = 56.457(D), Expected = 58.08, Std = 2.5700, ChiSquare = 5.2770e-01 1.F63 CB = 42.468(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.3576e-01 1.F63 CD1 = 131.212(D), Expected = 131.58, Std = 1.1800, ChiSquare = 7.5514e-01 1.F63 CD2 = 131.212(D), Expected = 131.63, Std = 1.1200, ChiSquare = 7.0899e-01 1.F63 CE1 = 130.826(D), Expected = 130.71, Std = 1.3000, ChiSquare = 9.2890e-01 1.F63 CE2 = 130.826(D), Expected = 130.76, Std = 1.1300, ChiSquare = 9.5342e-01 1.F63 CZ = 128.280(D), Expected = 129.21, Std = 1.4300, ChiSquare = 5.1547e-01 1.F63 H = 9.477(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.2081e-01 1.F63 HA = 5.518(D), Expected = 4.63, Std = 0.5700, ChiSquare = 1.1926e-01 1.F63 HB2 = 3.148(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.8916e-01 1.F63 HB3 = 2.560(D), Expected = 2.93, Std = 0.4000, ChiSquare = 3.5497e-01 1.F63 HD1 = 7.008(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.6679e-01 1.F63 HD2 = 7.008(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.6679e-01 1.F63 HE1 = 6.885(D), Expected = 7.08, Std = 0.3100, ChiSquare = 5.2933e-01 1.F63 HE2 = 6.885(D), Expected = 7.08, Std = 0.3200, ChiSquare = 5.4228e-01 1.F63 HZ = 6.745(D), Expected = 7.00, Std = 0.4200, ChiSquare = 5.4376e-01 1.F63 N = 126.775(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.3024e-01 1.Q64 C = 172.632(D), Expected = 176.31, Std = 1.9500, ChiSquare = 5.9274e-02 1.Q64 CA = 53.670(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.7537e-01 1.Q64 CB = 32.068(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.1381e-01 1.Q64 CG = 34.044(D), Expected = 33.76, Std = 1.1100, ChiSquare = 7.9806e-01 1.Q64 H = 8.558(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.6672e-01 1.Q64 HA = 4.654(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.8281e-01 1.Q64 HB2 = 1.929(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.2839e-01 1.Q64 HB3 = 1.798(D), Expected = 2.02, Std = 0.2800, ChiSquare = 4.2786e-01 1.Q64 HG2 = 2.210(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.8371e-01 1.Q64 HG3 = 2.129(D), Expected = 2.29, Std = 0.2900, ChiSquare = 5.7878e-01 1.Q64 HE21 = 7.001(D), Expected = 7.24, Std = 0.4500, ChiSquare = 5.9534e-01 1.Q64 HE22 = 6.383(D), Expected = 7.02, Std = 0.4400, ChiSquare = 1.4769e-01 1.Q64 N = 126.790(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.5280e-02 1.Q64 NE2 = 109.530(D), Expected = 111.87, Std = 1.7200, ChiSquare = 1.7368e-01 1.A65 C = 175.824(D), Expected = 177.74, Std = 2.1300, ChiSquare = 3.6837e-01 1.A65 CA = 49.691(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.1523e-02 1.A65 CB = 20.318(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.7476e-01 1.A65 H = 7.328(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.4613e-01 1.A65 HA = 4.818(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.0473e-01 1.A65 HB1 = 0.429(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9664e-04 1.A65 HB2 = 0.429(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9664e-04 1.A65 HB3 = 0.429(S), Expected = 1.35, Std = 0.2600, ChiSquare = 3.9664e-04 1.A65 N = 122.990(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.4595e-01 1.D66 C = 176.365(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.8404e-01 1.D66 CA = 54.604(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.6621e-01 1.D66 CB = 42.776(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.4185e-01 1.D66 H = 7.289(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.8349e-02 1.D66 HA = 4.593(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.9252e-01 1.D66 HB2 = 2.672(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.5353e-01 1.D66 HB3 = 2.590(D), Expected = 2.66, Std = 0.2800, ChiSquare = 8.0259e-01 1.D66 N = 119.349(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.3608e-01 1.K67 C = 175.632(D), Expected = 176.64, Std = 2.0000, ChiSquare = 6.1426e-01 1.K67 CA = 59.925(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.7629e-01 1.K67 CB = 33.046(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.8564e-01 1.K67 CG = 24.613(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.0635e-01 1.K67 CD = 29.540(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.9124e-01 1.K67 CE = 42.175(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.2817e-01 1.K67 H = 8.536(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.6416e-01 1.K67 HA = 4.156(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.9556e-01 1.K67 HB2 = 1.988(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.0541e-01 1.K67 HB3 = 1.988(D), Expected = 1.74, Std = 0.2700, ChiSquare = 3.5835e-01 1.K67 HG2 = 1.575(D), Expected = 1.37, Std = 0.2600, ChiSquare = 4.3043e-01 1.K67 HG3 = 1.575(D), Expected = 1.35, Std = 0.2800, ChiSquare = 4.2164e-01 1.K67 HD2 = 1.712(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.4291e-01 1.K67 HD3 = 1.712(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.1069e-01 1.K67 HE2 = 3.035(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.4500e-01 1.K67 HE3 = 3.035(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.3197e-01 1.K67 N = 119.714(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.2306e-01 1.S68 C = 175.514(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.0323e-01 1.S68 CA = 58.986(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.9775e-01 1.S68 CB = 64.576(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.0005e-01 1.S68 H = 8.031(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.7300e-01 1.S68 HA = 4.553(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.5519e-01 1.S68 HB2 = 4.166(D), Expected = 3.88, Std = 0.2500, ChiSquare = 2.5262e-01 1.S68 HB3 = 3.942(D), Expected = 3.85, Std = 0.2700, ChiSquare = 7.3330e-01 1.S68 N = 109.540(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.5522e-02 1.V69 C = 175.354(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.8866e-01 1.V69 CA = 64.678(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.4425e-01 1.V69 CB = 31.686(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.5973e-01 1.V69 CG1 = 24.530(D), Expected = 21.49, Std = 1.3600, ChiSquare = 2.5398e-02 1.V69 CG2 = 20.682(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.1100e-01 1.V69 H = 7.888(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.4851e-01 1.V69 HA = 3.863(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.7289e-01 1.V69 HB = 2.063(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.9535e-01 1.V69 HG11 = 0.963(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0897e-01 1.V69 HG12 = 0.963(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0897e-01 1.V69 HG13 = 0.963(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.0897e-01 1.V69 HG21 = 1.030(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1140e-01 1.V69 HG22 = 1.030(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1140e-01 1.V69 HG23 = 1.030(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1140e-01 1.V69 N = 125.916(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.9281e-01 1.D70 C = 176.431(D), Expected = 176.40, Std = 1.7500, ChiSquare = 9.8587e-01 1.D70 CA = 53.106(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.3522e-01 1.D70 CB = 42.835(D), Expected = 40.88, Std = 1.6200, ChiSquare = 2.2751e-01 1.D70 H = 8.320(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.8624e-01 1.D70 HA = 5.162(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.3857e-02 1.D70 HB2 = 3.645(S), Expected = 2.72, Std = 0.2600, ChiSquare = 3.7413e-04 1.D70 HB3 = 2.688(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.2034e-01 1.D70 N = 125.857(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.7735e-01 1.Y71 C = 177.587(D), Expected = 175.40, Std = 1.9900, ChiSquare = 2.7177e-01 1.Y71 CA = 62.037(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.1957e-01 1.Y71 CB = 39.678(D), Expected = 39.32, Std = 2.1600, ChiSquare = 8.6836e-01 1.Y71 CD1 = 133.053(D), Expected = 132.77, Std = 1.1700, ChiSquare = 8.0887e-01 1.Y71 CD2 = 133.053(D), Expected = 132.73, Std = 1.3000, ChiSquare = 8.0378e-01 1.Y71 CE1 = 117.773(D), Expected = 117.93, Std = 1.1900, ChiSquare = 8.9504e-01 1.Y71 CE2 = 117.773(D), Expected = 117.90, Std = 1.1800, ChiSquare = 9.1429e-01 1.Y71 H = 8.492(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.1373e-01 1.Y71 HA = 4.234(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.7948e-01 1.Y71 HB2 = 3.176(D), Expected = 2.91, Std = 0.3700, ChiSquare = 4.7219e-01 1.Y71 HB3 = 3.071(D), Expected = 2.84, Std = 0.3900, ChiSquare = 5.5364e-01 1.Y71 HD1 = 6.971(D), Expected = 6.93, Std = 0.3000, ChiSquare = 8.9129e-01 1.Y71 HD2 = 6.971(D), Expected = 6.93, Std = 0.3000, ChiSquare = 8.9129e-01 1.Y71 HE1 = 6.840(D), Expected = 6.70, Std = 0.2300, ChiSquare = 5.4273e-01 1.Y71 HE2 = 6.840(D), Expected = 6.71, Std = 0.2300, ChiSquare = 5.7193e-01 1.Y71 N = 123.022(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.5137e-01 1.E72 C = 179.386(D), Expected = 176.87, Std = 1.9500, ChiSquare = 1.9696e-01 1.E72 CA = 59.811(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.3331e-01 1.E72 CB = 29.739(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7481e-01 1.E72 CG = 36.157(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.6850e-01 1.E72 H = 8.524(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.4230e-01 1.E72 HA = 3.989(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.2440e-01 1.E72 HB2 = 2.163(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.9590e-01 1.E72 HB3 = 2.130(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.4273e-01 1.E72 HG2 = 2.253(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.3548e-01 1.E72 HG3 = 2.253(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.8912e-01 1.E72 N = 118.050(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.5153e-01 1.T73 C = 176.366(D), Expected = 174.54, Std = 1.7600, ChiSquare = 2.9950e-01 1.T73 CA = 67.347(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.7756e-02 1.T73 CB = 67.394(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.5182e-01 1.T73 CG2 = 21.197(D), Expected = 21.55, Std = 1.1100, ChiSquare = 7.5047e-01 1.T73 H = 8.666(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.9202e-01 1.T73 HA = 3.917(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.5795e-01 1.T73 HB = 4.441(D), Expected = 4.17, Std = 0.3300, ChiSquare = 4.1153e-01 1.T73 HG21 = 1.189(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3129e-01 1.T73 HG22 = 1.189(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3129e-01 1.T73 HG23 = 1.189(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3129e-01 1.T73 N = 120.087(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.2584e-01 1.L74 C = 178.397(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.7733e-01 1.L74 CA = 59.358(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.9271e-02 1.L74 CB = 42.104(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.1275e-01 1.L74 CG = 26.923(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.9657e-01 1.L74 CD1 = 25.670(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.5018e-01 1.L74 CD2 = 25.460(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.0687e-01 1.L74 H = 8.485(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.9483e-01 1.L74 HA = 3.736(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.1403e-01 1.L74 HB2 = 1.504(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.5522e-01 1.L74 HB3 = 1.934(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.5014e-01 1.L74 HG = 1.339(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.0433e-01 1.L74 HD11 = 0.770(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4306e-01 1.L74 HD12 = 0.770(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4306e-01 1.L74 HD13 = 0.770(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.4306e-01 1.L74 HD21 = 0.682(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.6854e-01 1.L74 HD22 = 0.682(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.6854e-01 1.L74 HD23 = 0.682(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.6854e-01 1.L74 N = 123.242(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.2307e-01 1.M75 C = 179.002(D), Expected = 176.18, Std = 2.0900, ChiSquare = 1.7694e-01 1.M75 CA = 56.815(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.5189e-01 1.M75 CB = 32.273(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.4890e-01 1.M75 CG = 33.596(D), Expected = 32.01, Std = 1.2400, ChiSquare = 2.0089e-01 1.M75 CE = 18.602(D), Expected = 17.07, Std = 1.5800, ChiSquare = 3.3224e-01 1.M75 H = 8.462(D), Expected = 8.26, Std = 0.6000, ChiSquare = 7.3637e-01 1.M75 HA = 4.128(D), Expected = 4.41, Std = 0.4800, ChiSquare = 5.5687e-01 1.M75 HB2 = 2.068(D), Expected = 2.03, Std = 0.3400, ChiSquare = 9.1101e-01 1.M75 HB3 = 1.766(D), Expected = 1.99, Std = 0.3400, ChiSquare = 5.1001e-01 1.M75 HG2 = 2.209(D), Expected = 2.42, Std = 0.3500, ChiSquare = 5.4660e-01 1.M75 HG3 = 1.799(D), Expected = 2.39, Std = 0.3800, ChiSquare = 1.1988e-01 1.M75 HE1 = 1.717(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.0685e-01 1.M75 HE2 = 1.717(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.0685e-01 1.M75 HE3 = 1.717(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.0685e-01 1.M75 N = 115.319(D), Expected = 120.09, Std = 3.5700, ChiSquare = 1.8141e-01 1.S76 C = 177.737(D), Expected = 174.62, Std = 1.7200, ChiSquare = 6.9954e-02 1.S76 CA = 61.410(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.9377e-01 1.S76 CB = 62.909(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.4716e-01 1.S76 H = 8.156(D), Expected = 8.28, Std = 0.5900, ChiSquare = 8.3354e-01 1.S76 HA = 4.335(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.1698e-01 1.S76 HB2 = 4.152(D), Expected = 3.88, Std = 0.2500, ChiSquare = 2.7660e-01 1.S76 HB3 = 4.152(D), Expected = 3.85, Std = 0.2700, ChiSquare = 2.6335e-01 1.S76 N = 117.133(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.0852e-01 1.V77 C = 178.147(D), Expected = 175.62, Std = 1.9000, ChiSquare = 1.8352e-01 1.V77 CA = 67.032(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1226e-01 1.V77 CB = 31.144(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.7560e-01 1.V77 CG1 = 23.084(D), Expected = 21.49, Std = 1.3600, ChiSquare = 2.4117e-01 1.V77 CG2 = 22.296(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.0662e-01 1.V77 H = 8.341(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.3932e-01 1.V77 HA = 3.626(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.3084e-01 1.V77 HB = 2.142(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.1268e-01 1.V77 HG11 = 1.097(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.0446e-01 1.V77 HG12 = 1.097(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.0446e-01 1.V77 HG13 = 1.097(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.0446e-01 1.V77 HG21 = 0.780(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4306e-01 1.V77 HG22 = 0.780(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4306e-01 1.V77 HG23 = 0.780(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4306e-01 1.V77 N = 123.302(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3392e-01 1.M78 C = 178.096(D), Expected = 176.18, Std = 2.0900, ChiSquare = 3.5928e-01 1.M78 CA = 58.369(D), Expected = 56.11, Std = 2.2300, ChiSquare = 3.1106e-01 1.M78 CB = 32.338(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.7100e-01 1.M78 CG = 33.592(D), Expected = 32.01, Std = 1.2400, ChiSquare = 2.0202e-01 1.M78 CE = 18.576(D), Expected = 17.07, Std = 1.5800, ChiSquare = 3.4051e-01 1.M78 H = 8.202(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.2299e-01 1.M78 HA = 4.181(D), Expected = 4.41, Std = 0.4800, ChiSquare = 6.3330e-01 1.M78 HB2 = 2.297(D), Expected = 2.03, Std = 0.3400, ChiSquare = 4.3228e-01 1.M78 HB3 = 1.790(D), Expected = 1.99, Std = 0.3400, ChiSquare = 5.5637e-01 1.M78 HG2 = 2.570(D), Expected = 2.42, Std = 0.3500, ChiSquare = 6.6823e-01 1.M78 HG3 = 2.476(D), Expected = 2.39, Std = 0.3800, ChiSquare = 8.2096e-01 1.M78 HE1 = 1.401(D), Expected = 1.89, Std = 0.4600, ChiSquare = 2.8776e-01 1.M78 HE2 = 1.401(D), Expected = 1.89, Std = 0.4600, ChiSquare = 2.8776e-01 1.M78 HE3 = 1.401(D), Expected = 1.89, Std = 0.4600, ChiSquare = 2.8776e-01 1.M78 N = 118.010(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.6014e-01 1.D79 C = 178.206(D), Expected = 176.40, Std = 1.7500, ChiSquare = 3.0207e-01 1.D79 CA = 57.884(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.1563e-01 1.D79 CB = 41.545(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.8144e-01 1.D79 H = 8.219(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.7533e-01 1.D79 HA = 4.401(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.5477e-01 1.D79 HB2 = 2.845(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.3068e-01 1.D79 HB3 = 2.776(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.7866e-01 1.D79 N = 119.257(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.1819e-01 1.T80 C = 177.171(D), Expected = 174.54, Std = 1.7600, ChiSquare = 1.3494e-01 1.T80 CA = 67.281(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.0695e-02 1.T80 CB = 68.357(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.9960e-01 1.T80 CG2 = 22.834(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.4737e-01 1.T80 H = 8.099(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.2010e-01 1.T80 HA = 3.840(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.9647e-01 1.T80 HB = 4.395(D), Expected = 4.17, Std = 0.3300, ChiSquare = 4.9535e-01 1.T80 HG21 = 1.274(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.6016e-01 1.T80 HG22 = 1.274(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.6016e-01 1.T80 HG23 = 1.274(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.6016e-01 1.T80 N = 117.733(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.2630e-01 1.L81 C = 178.532(D), Expected = 176.99, Std = 1.9800, ChiSquare = 4.3610e-01 1.L81 CA = 58.857(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.2858e-01 1.L81 CB = 40.195(D), Expected = 42.31, Std = 1.8800, ChiSquare = 2.6059e-01 1.L81 CG = 26.777(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.9782e-01 1.L81 CD1 = 25.661(D), Expected = 24.72, Std = 1.5900, ChiSquare = 5.5397e-01 1.L81 CD2 = 23.582(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.8309e-01 1.L81 H = 8.399(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.9486e-01 1.L81 HA = 3.919(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.9355e-01 1.L81 HB2 = 1.994(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.5872e-01 1.L81 HB3 = 1.863(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.4070e-01 1.L81 HG = 1.686(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.9380e-01 1.L81 HD11 = 0.739(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.6866e-01 1.L81 HD12 = 0.739(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.6866e-01 1.L81 HD13 = 0.739(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.6866e-01 1.L81 HD21 = 0.657(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.0125e-01 1.L81 HD22 = 0.657(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.0125e-01 1.L81 HD23 = 0.657(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.0125e-01 1.L81 N = 123.423(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.8859e-01 1.R82 C = 180.614(D), Expected = 176.41, Std = 2.0300, ChiSquare = 3.8365e-02 1.R82 CA = 59.129(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.0715e-01 1.R82 CB = 29.917(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.6875e-01 1.R82 CG = 27.189(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.8604e-01 1.R82 CD = 44.151(D), Expected = 43.16, Std = 0.8800, ChiSquare = 2.6011e-01 1.R82 H = 8.335(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.7624e-01 1.R82 HA = 3.850(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.2795e-01 1.R82 HB2 = 1.907(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.6477e-01 1.R82 HB3 = 1.907(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.9958e-01 1.R82 HG2 = 1.791(D), Expected = 1.57, Std = 0.2700, ChiSquare = 4.1306e-01 1.R82 HG3 = 1.743(D), Expected = 1.54, Std = 0.2900, ChiSquare = 4.8393e-01 1.R82 HD2 = 3.201(D), Expected = 3.12, Std = 0.2400, ChiSquare = 7.3574e-01 1.R82 HD3 = 3.201(D), Expected = 3.10, Std = 0.2600, ChiSquare = 6.9767e-01 1.R82 N = 119.067(D), Expected = 120.80, Std = 3.6800, ChiSquare = 6.3769e-01 1.K83 C = 178.074(D), Expected = 176.64, Std = 2.0000, ChiSquare = 4.7337e-01 1.K83 CA = 59.522(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.4237e-01 1.K83 CB = 32.344(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0215e-01 1.K83 CG = 26.485(D), Expected = 24.89, Std = 1.1300, ChiSquare = 1.5810e-01 1.K83 CD = 29.295(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.5642e-01 1.K83 CE = 42.086(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.1109e-01 1.K83 H = 8.153(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.5083e-01 1.K83 HA = 3.966(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.8962e-01 1.K83 HB2 = 1.899(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.3407e-01 1.K83 HB3 = 1.899(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.5594e-01 1.K83 HG2 = 1.622(D), Expected = 1.37, Std = 0.2600, ChiSquare = 3.3243e-01 1.K83 HG3 = 1.436(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.5873e-01 1.K83 HD2 = 1.675(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.6765e-01 1.K83 HD3 = 1.622(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.2034e-01 1.K83 HE2 = 2.955(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.5385e-01 1.K83 HE3 = 2.955(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.2198e-01 1.K83 N = 121.378(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.3067e-01 1.A84 C = 176.286(D), Expected = 177.74, Std = 2.1300, ChiSquare = 4.9484e-01 1.A84 CA = 52.351(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.9027e-01 1.A84 CB = 20.283(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.8666e-01 1.A84 H = 7.723(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.2661e-01 1.A84 HA = 4.471(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.3155e-01 1.A84 HB1 = 1.758(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.1659e-01 1.A84 HB2 = 1.758(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.1659e-01 1.A84 HB3 = 1.758(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.1659e-01 1.A84 N = 120.620(D), Expected = 123.23, Std = 3.5400, ChiSquare = 4.6095e-01 1.G85 C = 173.364(D), Expected = 173.87, Std = 1.8800, ChiSquare = 7.8781e-01 1.G85 CA = 45.054(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2517e-01 1.G85 H = 7.779(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.9661e-01 1.G85 HA2 = 4.048(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.3303e-01 1.G85 HA3 = 3.449(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.2287e-01 1.G85 N = 105.152(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4303e-01 1.Y86 C = 172.832(D), Expected = 175.40, Std = 1.9900, ChiSquare = 1.9689e-01 1.Y86 CA = 59.375(D), Expected = 58.13, Std = 2.5100, ChiSquare = 6.1988e-01 1.Y86 CB = 38.287(D), Expected = 39.32, Std = 2.1600, ChiSquare = 6.3248e-01 1.Y86 CD1 = 133.724(D), Expected = 132.77, Std = 1.1700, ChiSquare = 4.1485e-01 1.Y86 CD2 = 133.724(D), Expected = 132.73, Std = 1.3000, ChiSquare = 4.4450e-01 1.Y86 CE1 = 118.051(D), Expected = 117.93, Std = 1.1900, ChiSquare = 9.1901e-01 1.Y86 CE2 = 118.051(D), Expected = 117.90, Std = 1.1800, ChiSquare = 8.9818e-01 1.Y86 H = 7.780(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.5947e-01 1.Y86 HA = 4.487(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.9845e-01 1.Y86 HB2 = 3.059(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.8717e-01 1.Y86 HB3 = 2.508(D), Expected = 2.84, Std = 0.3900, ChiSquare = 3.9461e-01 1.Y86 HD1 = 7.103(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.6416e-01 1.Y86 HD2 = 7.103(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.6416e-01 1.Y86 HE1 = 6.689(D), Expected = 6.70, Std = 0.2300, ChiSquare = 9.6186e-01 1.Y86 HE2 = 6.689(D), Expected = 6.71, Std = 0.2300, ChiSquare = 9.2725e-01 1.Y86 N = 122.778(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.9084e-01 1.L87 C = 177.558(D), Expected = 176.99, Std = 1.9800, ChiSquare = 7.7421e-01 1.L87 CA = 54.007(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.4888e-01 1.L87 CB = 40.468(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.2719e-01 1.L87 CG = 26.990(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.4860e-01 1.L87 CD1 = 24.961(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.7952e-01 1.L87 CD2 = 21.785(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.8274e-01 1.L87 H = 7.360(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8075e-01 1.L87 HA = 4.381(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.9673e-01 1.L87 HB2 = 1.511(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.7092e-01 1.L87 HB3 = 2.238(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.6104e-02 1.L87 HG = 1.488(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.4685e-01 1.L87 HD11 = 0.907(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7499e-01 1.L87 HD12 = 0.907(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7499e-01 1.L87 HD13 = 0.907(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.7499e-01 1.L87 HD21 = 0.656(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.9859e-01 1.L87 HD22 = 0.656(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.9859e-01 1.L87 HD23 = 0.656(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.9859e-01 1.L87 N = 115.000(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.8582e-02 1.K88 C = 174.339(D), Expected = 176.64, Std = 2.0000, ChiSquare = 2.4994e-01 1.K88 CA = 55.280(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.4780e-01 1.K88 CB = 32.349(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.0433e-01 1.K88 CG = 24.246(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.6874e-01 1.K88 CD = 29.197(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.2630e-01 1.K88 CE = 42.294(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.2224e-01 1.K88 H = 9.191(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.5250e-02 1.K88 HA = 4.852(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.8593e-01 1.K88 HB2 = 1.566(D), Expected = 1.78, Std = 0.2500, ChiSquare = 3.9200e-01 1.K88 HB3 = 1.854(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.7286e-01 1.K88 HG2 = 1.403(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.9900e-01 1.K88 HG3 = 1.368(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.4874e-01 1.K88 HD2 = 1.644(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.7718e-01 1.K88 HD3 = 1.593(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.7462e-01 1.K88 HE2 = 2.947(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.8700e-01 1.K88 HE3 = 2.947(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.5323e-01 1.K88 N = 121.417(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.2245e-01 1.V89 C = 175.236(D), Expected = 175.62, Std = 1.9000, ChiSquare = 8.3983e-01 1.V89 CA = 59.189(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.4842e-01 1.V89 CB = 36.496(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.5386e-02 1.V89 CG1 = 22.480(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.6665e-01 1.V89 CG2 = 21.648(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.0358e-01 1.V89 H = 8.247(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.4883e-01 1.V89 HA = 5.054(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.3631e-01 1.V89 HB = 1.737(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.4763e-01 1.V89 HG11 = 0.792(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.8380e-01 1.V89 HG12 = 0.792(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.8380e-01 1.V89 HG13 = 0.792(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.8380e-01 1.V89 HG21 = 0.763(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.9487e-01 1.V89 HG22 = 0.763(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.9487e-01 1.V89 HG23 = 0.763(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.9487e-01 1.V89 N = 123.298(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3455e-01 1.G90 C = 172.115(D), Expected = 173.87, Std = 1.8800, ChiSquare = 3.5056e-01 1.G90 CA = 43.953(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.9716e-01 1.G90 H = 8.728(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.4033e-01 1.G90 HA2 = 2.800(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.5660e-03 1.G90 HA3 = 2.800(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.9493e-03 1.G90 N = 114.166(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4533e-01 1.L91 C = 176.624(D), Expected = 176.99, Std = 1.9800, ChiSquare = 8.5335e-01 1.L91 CA = 54.850(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.1772e-01 1.L91 CB = 41.332(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.0292e-01 1.L91 CG = 26.569(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.4788e-01 1.L91 CD1 = 24.679(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.7943e-01 1.L91 CD2 = 23.235(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.3165e-01 1.L91 H = 9.435(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.3761e-02 1.L91 HB2 = 1.867(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.4972e-01 1.L91 HB3 = 1.867(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.3510e-01 1.L91 HG = 1.699(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.6683e-01 1.L91 HD11 = 0.723(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.2318e-01 1.L91 HD12 = 0.723(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.2318e-01 1.L91 HD13 = 0.723(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.2318e-01 1.L91 HD21 = 0.732(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.9450e-01 1.L91 HD22 = 0.732(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.9450e-01 1.L91 HD23 = 0.732(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.9450e-01 1.L91 N = 125.832(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.0846e-01 1.V92 C = 177.750(D), Expected = 175.62, Std = 1.9000, ChiSquare = 2.6227e-01 1.V92 CA = 62.544(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8494e-01 1.V92 CB = 32.754(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.8930e-01 1.V92 CG1 = 21.617(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.2560e-01 1.V92 CG2 = 21.588(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.3347e-01 1.V92 H = 8.877(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.8097e-01 1.V92 HA = 4.502(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.9062e-01 1.V92 HB = 2.301(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.1580e-01 1.V92 HG11 = 1.158(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.0711e-01 1.V92 HG12 = 1.158(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.0711e-01 1.V92 HG13 = 1.158(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.0711e-01 1.V92 HG21 = 1.158(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.0105e-01 1.V92 HG22 = 1.158(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.0105e-01 1.V92 HG23 = 1.158(D), Expected = 0.80, Std = 0.2800, ChiSquare = 2.0105e-01 1.V92 N = 125.288(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.6090e-01 1.G93 C = 173.951(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.6563e-01 1.G93 CA = 45.287(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6250e-01 1.G93 H = 9.036(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.7741e-01 1.G93 HA2 = 4.242(D), Expected = 3.97, Std = 0.3700, ChiSquare = 4.6226e-01 1.G93 HA3 = 4.124(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.4491e-01 1.G93 N = 115.902(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.0732e-01 1.M94 C = 176.546(D), Expected = 176.18, Std = 2.0900, ChiSquare = 8.6099e-01 1.M94 CA = 56.250(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.4994e-01 1.M94 CB = 33.002(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.9573e-01 1.M94 CG = 32.966(D), Expected = 32.01, Std = 1.2400, ChiSquare = 4.4073e-01 1.M94 CE = 17.342(D), Expected = 17.07, Std = 1.5800, ChiSquare = 8.6332e-01 1.M94 H = 8.807(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.6194e-01 1.M94 HA = 4.422(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.8006e-01 1.M94 HB2 = 2.144(D), Expected = 2.03, Std = 0.3400, ChiSquare = 7.3740e-01 1.M94 HB3 = 2.144(D), Expected = 1.99, Std = 0.3400, ChiSquare = 6.5059e-01 1.M94 HG2 = 2.082(D), Expected = 2.42, Std = 0.3500, ChiSquare = 3.3419e-01 1.M94 HG3 = 2.082(D), Expected = 2.39, Std = 0.3800, ChiSquare = 4.1764e-01 1.M94 HE1 = 2.040(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.4436e-01 1.M94 HE2 = 2.040(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.4436e-01 1.M94 HE3 = 2.040(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.4436e-01 1.M94 N = 120.533(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.0124e-01 1.E95 C = 176.889(D), Expected = 176.87, Std = 1.9500, ChiSquare = 9.9223e-01 1.E95 CA = 56.759(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.8838e-01 1.E95 CB = 30.272(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.7893e-01 1.E95 CG = 36.282(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.8508e-01 1.E95 H = 8.700(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.3058e-01 1.E95 HA = 4.274(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.5332e-01 1.E95 HB2 = 2.057(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.6014e-01 1.E95 HB3 = 1.933(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.0427e-01 1.E95 HG2 = 2.243(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.9770e-01 1.E95 HG3 = 2.243(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.7462e-01 1.E95 N = 122.359(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.2743e-01 1.G96 C = 173.707(D), Expected = 173.87, Std = 1.8800, ChiSquare = 9.3091e-01 1.G96 CA = 45.209(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1620e-01 1.G96 H = 8.453(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.4991e-01 1.G96 HA2 = 3.965(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.8922e-01 1.G96 HA3 = 3.885(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.6766e-01 1.G96 N = 110.139(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.0354e-01 1.A97 C = 177.354(D), Expected = 177.74, Std = 2.1300, ChiSquare = 8.5619e-01 1.A97 CA = 52.297(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.7028e-01 1.A97 CB = 19.519(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.8090e-01 1.A97 H = 8.183(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.7740e-01 1.A97 HA = 4.293(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.4021e-01 1.A97 HB1 = 1.362(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6319e-01 1.A97 HB2 = 1.362(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6319e-01 1.A97 HB3 = 1.362(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.6319e-01 1.A97 N = 123.812(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.6941e-01 1.A98 C = 176.716(D), Expected = 177.74, Std = 2.1300, ChiSquare = 6.3069e-01 1.A98 CA = 52.431(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.2028e-01 1.A98 CB = 19.270(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.8702e-01 1.A98 H = 8.303(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.6370e-01 1.A98 HA = 4.286(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.5288e-01 1.A98 HB1 = 1.354(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8773e-01 1.A98 HB2 = 1.354(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8773e-01 1.A98 HB3 = 1.354(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.8773e-01 1.A98 N = 124.086(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.0893e-01 1.K99 C = 181.323(D), Expected = 176.64, Std = 2.0000, ChiSquare = 1.9206e-02 1.K99 CA = 57.570(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.7808e-01 1.K99 CB = 33.737(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.9471e-01 1.K99 CG = 24.641(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.2560e-01 1.K99 CD = 29.134(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.7201e-01 1.K99 CE = 42.195(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.0993e-01 1.K99 H = 7.890(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.1707e-01 1.K99 HA = 4.105(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.0766e-01 1.K99 HB2 = 1.785(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.8404e-01 1.K99 HB3 = 1.670(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.9544e-01 1.K99 HG2 = 1.361(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.7239e-01 1.K99 HG3 = 1.361(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.6866e-01 1.K99 HD2 = 1.638(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.9872e-01 1.K99 HD3 = 1.638(D), Expected = 1.60, Std = 0.2200, ChiSquare = 8.6287e-01 1.K99 HE2 = 2.962(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.2505e-01 1.K99 HE3 = 2.962(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.9486e-01 1.K99 N = 125.845(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.0341e-01