Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.F1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 0.99 C Shift Assignments>> CA :: 56.082(D) CB :: 39.533(D) CD1 :: 132.745(D) CD2 :: 132.745(D) CE1 :: 131.571(D) CE2 :: 131.571(D) CZ :: 130.001(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> HA :: 4.505(D) HB2 :: 3.241(D) HB3 :: 3.352(D) HD1 :: 7.538(D) HD2 :: 7.538(D) HE1 :: 7.331(D) HE2 :: 7.331(D) HZ :: 7.236(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.P2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 64.075(D) CB :: 31.996(D) CG :: 27.463(D) CD :: 50.402(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.522(D) HB2 :: 1.841(D) HB3 :: 2.271(D) HG2 :: 1.653(D) HG3 :: 1.889(D) HD2 :: 2.533(D) HD3 :: 3.560(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.I3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CA :: 60.567(D) CB :: 39.972(D) CG1 :: 27.474(D) CG2 :: 17.906(D) CD1 :: 13.560(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.577(D) HA :: 4.415(D) HB :: 1.933(D) HG12 :: 1.175(D) HG13 :: 1.526(D) HG21 :: 0.962(D) HG22 :: 0.962(D) HG23 :: 0.962(D) HD11 :: 0.913(D) HD12 :: 0.913(D) HD13 :: 0.913(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) 1.T4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> CA :: 61.684(D) CB :: 69.792(D) CG2 :: 21.652(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 :: 8.207(D) HA :: 4.467(D) HB :: 4.244(D) HG21 :: 1.209(D) HG22 :: 1.209(D) HG23 :: 1.209(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) 1.V5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.99 C Shift Assignments>> CA :: 62.711(D) CB :: 32.911(D) CG1 :: 20.966(D) CG2 :: 21.649(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 :: 8.131(D) HA :: 4.147(D) HB :: 2.152(D) HG11 :: 0.972(D) HG12 :: 0.972(D) HG13 :: 0.972(D) HG21 :: 0.972(D) HG22 :: 0.972(D) HG23 :: 0.972(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.G6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.9 L 0.07 C Shift Assignments>> CA :: 45.761(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.576(D) HA2 :: 3.856(D) HA3 :: 4.013(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.I7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CA :: 61.052(D) CB :: 39.379(D) CG1 :: 27.479(D) CG2 :: 17.846(D) CD1 :: 13.609(D) Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.623(D) HA :: 4.212(D) HB :: 1.859(D) HG12 :: 1.158(D) HG13 :: 1.489(D) HG21 :: 0.888(D) HG22 :: 0.888(D) HG23 :: 0.888(D) HD11 :: 0.860(D) HD12 :: 0.860(D) HD13 :: 0.860(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) 1.V8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.99 C Shift Assignments>> CA :: 62.172(D) CB :: 32.962(D) CG1 :: 21.428(D) CG2 :: 20.883(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 :: 7.973(D) HA :: 4.143(D) HB :: 2.078(D) HG11 :: 0.927(D) HG12 :: 0.927(D) HG13 :: 0.927(D) HG21 :: 0.941(D) HG22 :: 0.941(D) HG23 :: 0.941(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.M9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> M 0.99 C Shift Assignments>> CB :: 32.732(D) CG :: 32.619(D) CE :: 17.585(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 :: 8.611(D) HA :: 4.689(D) HB2 :: 1.983(D) HB3 :: 2.099(D) HG2 :: 2.559(D) HG3 :: 2.559(D) HE1 :: 2.041(D) HE2 :: 2.041(D) HE3 :: 2.041(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) 1.P10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.9 R 0.06 K 0.02 C Shift Assignments>> CB :: 31.235(D) CG :: 27.885(D) CD :: 50.644(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 :: 4.615(D) HB2 :: 2.147(D) HB3 :: 2.285(D) HG2 :: 2.022(D) HG3 :: 2.149(D) HD2 :: 3.637(D) HD3 :: 3.947(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.K11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.19 S 0.17 F 0.15 T 0.14 V 0.13 K 0.05 R 0.05 H 0.04 M 0.02 L 0.01 P 0.01 C Shift Assignments>> CA :: 60.077(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 :: 8.484(D) HA :: 3.956(D) HB2 :: 1.896(D) HB3 :: 1.896(D) HE2 :: 3.026(D) HE3 :: 3.026(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) 1.K12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.22 F 0.18 I 0.12 V 0.08 T 0.08 K 0.08 R 0.07 H 0.06 M 0.04 L 0.02 C Shift Assignments>> CA :: 59.399(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 :: 8.568(D) HA :: 4.046(D) HB2 :: 1.879(D) HB3 :: 1.921(D) HG2 :: 1.476(D) HG3 :: 1.476(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) 1.F13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 0.99 C Shift Assignments>> CA :: 60.938(D) CB :: 39.613(D) CD1 :: 131.756(D) CD2 :: 131.756(D) CE1 :: 131.240(D) CE2 :: 131.240(D) CZ :: 129.617(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.877(D) HA :: 4.326(D) HB2 :: 3.162(D) HB3 :: 3.336(D) HD1 :: 7.228(D) HD2 :: 7.228(D) HE1 :: 7.303(D) HE2 :: 7.303(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) 1.I14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CA :: 64.479(D) CB :: 37.276(D) CG1 :: 29.124(D) CG2 :: 17.994(D) CD1 :: 12.766(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 :: 8.121(D) HA :: 3.575(D) HB :: 2.014(D) HG12 :: 1.292(D) HG13 :: 1.704(D) HG21 :: 0.956(D) HG22 :: 0.956(D) HG23 :: 0.956(D) HD11 :: 0.900(D) HD12 :: 0.900(D) HD13 :: 0.900(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) 1.K15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 0.35 K 0.27 I 0.15 R 0.12 L 0.08 G 0.01 C Shift Assignments>> CA :: 60.104(D) CE :: 42.047(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 :: 8.002(D) HA :: 3.936(D) HB2 :: 1.896(D) HB3 :: 1.896(D) HD2 :: 1.700(D) HD3 :: 1.700(D) HE2 :: 2.964(D) HE3 :: 2.964(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) 1.K16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.22 F 0.18 I 0.12 V 0.08 T 0.08 K 0.08 R 0.07 H 0.06 M 0.04 L 0.02 C Shift Assignments>> CA :: 59.405(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 :: 7.605(D) HA :: 4.049(D) HB3 :: 1.859(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) 1.L17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> L 0.95 R 0.03 G 0.01 C Shift Assignments>> CA :: 57.758(D) CB :: 41.968(D) CG :: 26.871(D) CD1 :: 24.803(D) CD2 :: 24.732(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 :: 8.144(D) HA :: 3.941(D) HB2 :: 1.470(D) HB3 :: 1.585(D) HG :: 1.533(D) HD11 :: 0.795(D) HD12 :: 0.795(D) HD13 :: 0.795(D) HD21 :: 0.806(D) HD22 :: 0.806(D) HD23 :: 0.806(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) 1.R18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.63 G 0.33 K 0.02 C Shift Assignments>> CA :: 60.275(D) CB :: 30.252(D) CG :: 27.752(D) CD :: 43.875(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 :: 8.537(D) HA :: 3.782(D) HB2 :: 1.881(D) HB3 :: 2.030(D) HG2 :: 1.636(D) HG3 :: 1.745(D) HD2 :: 3.172(D) HD3 :: 3.172(D) HE :: 7.653(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) 1.K19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.23 F 0.19 I 0.09 K 0.09 R 0.08 H 0.07 V 0.06 T 0.06 M 0.05 L 0.02 C Shift Assignments>> CA :: 59.116(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 :: 7.676(D) HA :: 4.123(D) HB2 :: 1.956(D) HB3 :: 1.956(D) HG2 :: 1.504 HG3 :: 1.504 HD2 :: 1.607 HD3 :: 1.607 HE2 :: 2.997(D) HE3 :: 2.997(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) 1.K20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.24 F 0.2 K 0.1 R 0.09 H 0.08 I 0.06 M 0.06 V 0.04 T 0.04 L 0.03 C Shift Assignments>> CA :: 58.717(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 :: 7.865(D) HA :: 4.164(D) HB2 :: 1.992 HB3 :: 1.992 HE2 :: 2.974(D) HE3 :: 2.974(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) 1.V21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.99 C Shift Assignments>> CA :: 64.918(D) CB :: 32.093(D) CG1 :: 21.789(D) CG2 :: 22.162(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 :: 8.164(D) HA :: 3.924(D) HB :: 2.226(D) HG11 :: 0.952(D) HG12 :: 0.952(D) HG13 :: 0.952(D) HG21 :: 1.015(D) HG22 :: 1.015(D) HG23 :: 1.015(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.S22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 61.771(D) CB :: 63.432(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.113(D) HB2 :: 4.017(D) HB3 :: 4.107(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.K23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.24 F 0.2 K 0.1 R 0.09 H 0.08 I 0.06 M 0.06 V 0.04 T 0.04 L 0.03 C Shift Assignments>> CA :: 58.717(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 :: 7.853(D) HA :: 4.168(D) HE2 :: 2.983 HE3 :: 2.983 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) 1.K24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.24 F 0.2 K 0.1 R 0.1 H 0.08 I 0.06 M 0.06 V 0.04 T 0.04 L 0.03 C Shift Assignments>> CA :: 58.708(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 :: 8.201(D) HA :: 4.148(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) 1.V25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.99 C Shift Assignments>> CA :: 66.477(D) CB :: 31.852(D) CG1 :: 22.162(D) CG2 :: 23.102(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 :: 8.263(D) HA :: 3.778(D) HB :: 2.267(D) HG11 :: 1.016(D) HG12 :: 1.016(D) HG13 :: 1.016(D) HG21 :: 1.090(D) HG22 :: 1.090(D) HG23 :: 1.090(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.K26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Unknown N Shifts: Indeterminable PRTL>> I 0.25 T 0.19 V 0.18 S 0.11 F 0.1 R 0.03 K 0.03 P 0.02 H 0.02 M 0.01 C Shift Assignments>> CA :: 60.691(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 :: 8.190(D) HA :: 4.021(D) HE2 :: 2.950(D) HE3 :: 2.950(D) HZ1 :: 7.766(U) HZ2 :: 7.766(U) HZ3 :: 7.766(U) 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) 1.K27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.19 I 0.16 F 0.16 T 0.11 V 0.11 K 0.06 R 0.06 H 0.05 M 0.03 L 0.01 C Shift Assignments>> CA :: 59.821(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 :: 7.858(D) HA :: 4.050(D) HB2 :: 1.949(D) HB3 :: 1.949(D) HE2 :: 2.960(D) HE3 :: 2.960(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) 1.F28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 0.99 C Shift Assignments>> CA :: 61.127(D) CB :: 39.361(D) CD1 :: 131.826(D) CD2 :: 131.826(D) CE1 :: 131.166(D) CE2 :: 131.166(D) CZ :: 129.593(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 :: 8.025(D) HA :: 4.305(D) HB2 :: 3.196(D) HB3 :: 3.196(D) HD1 :: 7.019(D) HD2 :: 7.019(D) HE1 :: 7.153(D) HE2 :: 7.153(D) HZ :: 7.150(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.F29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 0.99 C Shift Assignments>> CA :: 61.127(D) CB :: 39.145(D) CD1 :: 131.738(D) CD2 :: 131.738(D) CE1 :: 131.065(D) CE2 :: 131.065(D) CZ :: 129.340(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 :: 8.408(D) HA :: 4.301(D) HB2 :: 3.187(D) HB3 :: 3.303(D) HD1 :: 7.382(D) HD2 :: 7.382(D) HE1 :: 7.278(D) HE2 :: 7.278(D) HZ :: 7.199(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.K30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Unknown N Shifts: Indeterminable PRTL>> S 0.24 F 0.19 I 0.09 K 0.09 R 0.08 H 0.07 V 0.06 T 0.06 M 0.05 L 0.02 C Shift Assignments>> CA :: 59.081(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 :: 7.980(D) HA :: 4.050(D) HE2 :: 3.018(D) HE3 :: 3.018(D) HZ1 :: 7.747(U) HZ2 :: 7.747(U) HZ3 :: 7.747(U) 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) 1.K31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Unknown N Shifts: Indeterminable PRTL>> K 0.35 L 0.34 R 0.21 I 0.07 C Shift Assignments>> CA :: 57.973(D) CG :: 26.167(D) CE :: 41.980(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 :: 7.598(D) HA :: 4.066(D) HG2 :: 1.199(D) HG3 :: 1.268(D) HD2 :: 1.544(D) HD3 :: 1.544(D) HE2 :: 2.848(D) HE3 :: 2.848(D) HZ1 :: 7.674(U) HZ2 :: 7.674(U) HZ3 :: 7.674(U) 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) 1.F32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> F 0.99 C Shift Assignments>> CA :: 59.070(D) CB :: 39.758(D) CD1 :: 131.919(D) CD2 :: 131.919(D) CE1 :: 131.166(D) CE2 :: 131.166(D) CZ :: 129.404(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.800(D) HA :: 4.382(D) HB2 :: 2.790(D) HB3 :: 3.088(D) HD1 :: 7.177(D) HD2 :: 7.177(D) HE1 :: 7.152(D) HE2 :: 7.152(D) HZ :: 7.168(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.R33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.8 G 0.12 K 0.07 C Shift Assignments>> CA :: 56.376(D) CB :: 30.502(D) CG :: 27.151(D) CD :: 43.429(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.892(D) HA :: 4.195(D) HB2 :: 1.716(D) HB3 :: 1.842(D) HG2 :: 1.577(D) HG3 :: 1.577(D) HD2 :: 3.126(D) HD3 :: 3.126(D) HE :: 7.505(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) 1.K34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Unknown N Shifts: Indeterminable PRTL>> K 0.8 R 0.18 G 0.01 C Shift Assignments>> CA :: 56.554(D) CB :: 32.945(D) CG :: 24.880(D) CD :: 29.490(D) CE :: 42.110(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 :: 8.044(D) HA :: 4.194(D) HB2 :: 1.804(D) HB3 :: 1.858(D) HG2 :: 1.459(D) HG3 :: 1.494(D) HD2 :: 1.703(D) HD3 :: 1.703(D) HE2 :: 3.001(D) HE3 :: 3.001(D) HZ1 :: 7.610(U) HZ2 :: 7.610(U) HZ3 :: 7.610(U) 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) 1.NH235 Overall Status: Residue type NH2 not supported. ########################################################################### Overall Results: #Consistent: 0 #Clerical: 34 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 34 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 34 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 115 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 8 #Duplicate: 246 #Unknown: 12 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.F1 CA = 56.082(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.3690e-01 1.F1 CB = 39.533(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.2691e-01 1.F1 CD1 = 132.745(D), Expected = 131.58, Std = 1.1800, ChiSquare = 3.2350e-01 1.F1 CD2 = 132.745(D), Expected = 131.63, Std = 1.1200, ChiSquare = 3.1948e-01 1.F1 CE1 = 131.571(D), Expected = 130.71, Std = 1.3000, ChiSquare = 5.0777e-01 1.F1 CE2 = 131.571(D), Expected = 130.76, Std = 1.1300, ChiSquare = 4.7294e-01 1.F1 CZ = 130.001(D), Expected = 129.21, Std = 1.4300, ChiSquare = 5.8016e-01 1.F1 HA = 4.505(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.2642e-01 1.F1 HB2 = 3.241(D), Expected = 3.00, Std = 0.3700, ChiSquare = 5.1482e-01 1.F1 HB3 = 3.352(D), Expected = 2.93, Std = 0.4000, ChiSquare = 2.9143e-01 1.F1 HD1 = 7.538(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.2309e-01 1.F1 HD2 = 7.538(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.2309e-01 1.F1 HE1 = 7.331(D), Expected = 7.08, Std = 0.3100, ChiSquare = 4.1813e-01 1.F1 HE2 = 7.331(D), Expected = 7.08, Std = 0.3200, ChiSquare = 4.3282e-01 1.F1 HZ = 7.236(D), Expected = 7.00, Std = 0.4200, ChiSquare = 5.7418e-01 1.P2 CA = 64.075(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.2404e-01 1.P2 CB = 31.996(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.0153e-01 1.P2 CG = 27.463(D), Expected = 27.17, Std = 1.0900, ChiSquare = 7.8808e-01 1.P2 CD = 50.402(D), Expected = 50.32, Std = 0.9900, ChiSquare = 9.3399e-01 1.P2 HA = 4.522(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.1161e-01 1.P2 HB2 = 1.841(D), Expected = 2.08, Std = 0.3500, ChiSquare = 4.9470e-01 1.P2 HB3 = 2.271(D), Expected = 2.00, Std = 0.3600, ChiSquare = 4.5158e-01 1.P2 HG2 = 1.653(D), Expected = 1.93, Std = 0.3100, ChiSquare = 3.7156e-01 1.P2 HG3 = 1.889(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.7341e-01 1.P2 HD2 = 2.533(D), Expected = 3.65, Std = 0.3500, ChiSquare = 1.4157e-03 1.P2 HD3 = 3.560(D), Expected = 3.61, Std = 0.3900, ChiSquare = 8.9799e-01 1.I3 CA = 60.567(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.9714e-01 1.I3 CB = 39.972(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.0646e-01 1.I3 CG1 = 27.474(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.8828e-01 1.I3 CG2 = 17.906(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.8219e-01 1.I3 CD1 = 13.560(D), Expected = 13.43, Std = 1.6700, ChiSquare = 9.3795e-01 1.I3 H = 7.577(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.0122e-01 1.I3 HA = 4.415(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.7475e-01 1.I3 HB = 1.933(D), Expected = 1.78, Std = 0.2900, ChiSquare = 5.9779e-01 1.I3 HG12 = 1.175(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.9294e-01 1.I3 HG13 = 1.526(D), Expected = 1.19, Std = 0.4100, ChiSquare = 4.1249e-01 1.I3 HG21 = 0.962(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.7702e-01 1.I3 HG22 = 0.962(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.7702e-01 1.I3 HG23 = 0.962(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.7702e-01 1.I3 HD11 = 0.913(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.2172e-01 1.I3 HD12 = 0.913(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.2172e-01 1.I3 HD13 = 0.913(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.2172e-01 1.T4 CA = 61.684(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.3605e-01 1.T4 CB = 69.792(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.6966e-01 1.T4 CG2 = 21.652(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.2678e-01 1.T4 H = 8.207(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.5755e-01 1.T4 HA = 4.467(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.8836e-01 1.T4 HB = 4.244(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.2257e-01 1.T4 HG21 = 1.209(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.6418e-01 1.T4 HG22 = 1.209(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.6418e-01 1.T4 HG23 = 1.209(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.6418e-01 1.V5 CA = 62.711(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.3841e-01 1.V5 CB = 32.911(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.1946e-01 1.V5 CG1 = 20.966(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.0002e-01 1.V5 CG2 = 21.649(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.0308e-01 1.V5 H = 8.131(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.1241e-01 1.V5 HA = 4.147(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.4090e-01 1.V5 HB = 2.152(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.9092e-01 1.V5 HG11 = 0.972(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.8496e-01 1.V5 HG12 = 0.972(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.8496e-01 1.V5 HG13 = 0.972(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.8496e-01 1.V5 HG21 = 0.972(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.3903e-01 1.V5 HG22 = 0.972(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.3903e-01 1.V5 HG23 = 0.972(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.3903e-01 1.G6 CA = 45.761(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.5906e-01 1.G6 H = 8.576(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.0509e-01 1.G6 HA2 = 3.856(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.5800e-01 1.G6 HA3 = 4.013(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.6006e-01 1.I7 CA = 61.052(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.3507e-01 1.I7 CB = 39.379(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.1079e-01 1.I7 CG1 = 27.479(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.9064e-01 1.I7 CG2 = 17.846(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.1626e-01 1.I7 CD1 = 13.609(D), Expected = 13.43, Std = 1.6700, ChiSquare = 9.1464e-01 1.I7 H = 7.623(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.3396e-01 1.I7 HA = 4.212(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.5443e-01 1.I7 HB = 1.859(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.8530e-01 1.I7 HG12 = 1.158(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.6037e-01 1.I7 HG13 = 1.489(D), Expected = 1.19, Std = 0.4100, ChiSquare = 4.6584e-01 1.I7 HG21 = 0.888(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.6208e-01 1.I7 HG22 = 0.888(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.6208e-01 1.I7 HG23 = 0.888(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.6208e-01 1.I7 HD11 = 0.860(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3480e-01 1.I7 HD12 = 0.860(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3480e-01 1.I7 HD13 = 0.860(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.3480e-01 1.V8 CA = 62.172(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.1147e-01 1.V8 CB = 32.962(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.9688e-01 1.V8 CG1 = 21.428(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.6364e-01 1.V8 CG2 = 20.883(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.0904e-01 1.V8 H = 7.973(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.3612e-01 1.V8 HA = 4.143(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.3541e-01 1.V8 HB = 2.078(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.5941e-01 1.V8 HG11 = 0.927(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0909e-01 1.V8 HG12 = 0.927(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0909e-01 1.V8 HG13 = 0.927(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0909e-01 1.V8 HG21 = 0.941(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.1456e-01 1.V8 HG22 = 0.941(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.1456e-01 1.V8 HG23 = 0.941(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.1456e-01 1.M9 CB = 32.732(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.0830e-01 1.M9 CG = 32.619(D), Expected = 32.01, Std = 1.2400, ChiSquare = 6.2334e-01 1.M9 CE = 17.585(D), Expected = 17.07, Std = 1.5800, ChiSquare = 7.4446e-01 1.M9 H = 8.611(D), Expected = 8.26, Std = 0.6000, ChiSquare = 5.5855e-01 1.M9 HA = 4.689(D), Expected = 4.41, Std = 0.4800, ChiSquare = 5.6107e-01 1.M9 HB2 = 1.983(D), Expected = 2.03, Std = 0.3400, ChiSquare = 8.9005e-01 1.M9 HB3 = 2.099(D), Expected = 1.99, Std = 0.3400, ChiSquare = 7.4852e-01 1.M9 HG2 = 2.559(D), Expected = 2.42, Std = 0.3500, ChiSquare = 6.9126e-01 1.M9 HG3 = 2.559(D), Expected = 2.39, Std = 0.3800, ChiSquare = 6.5651e-01 1.M9 HE1 = 2.041(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.4271e-01 1.M9 HE2 = 2.041(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.4271e-01 1.M9 HE3 = 2.041(D), Expected = 1.89, Std = 0.4600, ChiSquare = 7.4271e-01 1.P10 CB = 31.235(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.0224e-01 1.P10 CG = 27.885(D), Expected = 27.17, Std = 1.0900, ChiSquare = 5.1185e-01 1.P10 CD = 50.644(D), Expected = 50.32, Std = 0.9900, ChiSquare = 7.4346e-01 1.P10 HA = 4.615(D), Expected = 4.40, Std = 0.3300, ChiSquare = 5.1471e-01 1.P10 HB2 = 2.147(D), Expected = 2.08, Std = 0.3500, ChiSquare = 8.4819e-01 1.P10 HB3 = 2.285(D), Expected = 2.00, Std = 0.3600, ChiSquare = 4.2856e-01 1.P10 HG2 = 2.022(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.6664e-01 1.P10 HG3 = 2.149(D), Expected = 1.90, Std = 0.3300, ChiSquare = 4.5052e-01 1.P10 HD2 = 3.637(D), Expected = 3.65, Std = 0.3500, ChiSquare = 9.7037e-01 1.P10 HD3 = 3.947(D), Expected = 3.61, Std = 0.3900, ChiSquare = 3.8753e-01 1.K11 CA = 60.077(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.5521e-01 1.K11 H = 8.484(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.2413e-01 1.K11 HA = 3.956(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.7545e-01 1.K11 HB2 = 1.896(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.4265e-01 1.K11 HB3 = 1.896(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.6341e-01 1.K11 HE2 = 3.026(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.7692e-01 1.K11 HE3 = 3.026(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.6191e-01 1.K12 CA = 59.399(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.6563e-01 1.K12 H = 8.568(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.2869e-01 1.K12 HA = 4.046(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.1069e-01 1.K12 HB2 = 1.879(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.9210e-01 1.K12 HB3 = 1.921(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.0262e-01 1.K12 HG2 = 1.476(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.8350e-01 1.K12 HG3 = 1.476(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.5271e-01 1.F13 CA = 60.938(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.6611e-01 1.F13 CB = 39.613(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.5685e-01 1.F13 CD1 = 131.756(D), Expected = 131.58, Std = 1.1800, ChiSquare = 8.8143e-01 1.F13 CD2 = 131.756(D), Expected = 131.63, Std = 1.1200, ChiSquare = 9.1043e-01 1.F13 CE1 = 131.240(D), Expected = 130.71, Std = 1.3000, ChiSquare = 6.8350e-01 1.F13 CE2 = 131.240(D), Expected = 130.76, Std = 1.1300, ChiSquare = 6.7100e-01 1.F13 CZ = 129.617(D), Expected = 129.21, Std = 1.4300, ChiSquare = 7.7594e-01 1.F13 H = 7.877(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.0233e-01 1.F13 HA = 4.326(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.9380e-01 1.F13 HB2 = 3.162(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.6150e-01 1.F13 HB3 = 3.336(D), Expected = 2.93, Std = 0.4000, ChiSquare = 3.1011e-01 1.F13 HD1 = 7.228(D), Expected = 7.06, Std = 0.3100, ChiSquare = 5.8786e-01 1.F13 HD2 = 7.228(D), Expected = 7.06, Std = 0.3100, ChiSquare = 5.8786e-01 1.F13 HE1 = 7.303(D), Expected = 7.08, Std = 0.3100, ChiSquare = 4.7192e-01 1.F13 HE2 = 7.303(D), Expected = 7.08, Std = 0.3200, ChiSquare = 4.8588e-01 1.F13 HZ = 7.216(D), Expected = 7.00, Std = 0.4200, ChiSquare = 6.0705e-01 1.I14 CA = 64.479(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.8438e-01 1.I14 CB = 37.276(D), Expected = 38.63, Std = 2.0200, ChiSquare = 5.0267e-01 1.I14 CG1 = 29.124(D), Expected = 27.71, Std = 1.6800, ChiSquare = 3.9997e-01 1.I14 CG2 = 17.994(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.3297e-01 1.I14 CD1 = 12.766(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.9092e-01 1.I14 H = 8.121(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.1512e-01 1.I14 HA = 3.575(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.7998e-01 1.I14 HB = 2.014(D), Expected = 1.78, Std = 0.2900, ChiSquare = 4.1973e-01 1.I14 HG12 = 1.292(D), Expected = 1.28, Std = 0.4000, ChiSquare = 9.7607e-01 1.I14 HG13 = 1.704(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.0997e-01 1.I14 HG21 = 0.956(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.9089e-01 1.I14 HG22 = 0.956(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.9089e-01 1.I14 HG23 = 0.956(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.9089e-01 1.I14 HD11 = 0.900(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4808e-01 1.I14 HD12 = 0.900(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4808e-01 1.I14 HD13 = 0.900(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.4808e-01 1.K15 CA = 60.104(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.5168e-01 1.K15 CE = 42.047(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.4816e-01 1.K15 H = 8.002(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.5403e-01 1.K15 HA = 3.936(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.4780e-01 1.K15 HB2 = 1.896(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.4265e-01 1.K15 HB3 = 1.896(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.6341e-01 1.K15 HD2 = 1.700(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.8247e-01 1.K15 HD3 = 1.700(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.4944e-01 1.K15 HE2 = 2.964(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.1687e-01 1.K15 HE3 = 2.964(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.8716e-01 1.K16 CA = 59.405(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.6446e-01 1.K16 H = 7.605(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.2956e-01 1.K16 HA = 4.049(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.1548e-01 1.K16 HB3 = 1.859(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.5940e-01 1.L17 CA = 57.758(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1550e-01 1.L17 CB = 41.968(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.5565e-01 1.L17 CG = 26.871(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.3407e-01 1.L17 CD1 = 24.803(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.5837e-01 1.L17 CD2 = 24.732(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.8829e-01 1.L17 H = 8.144(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.9474e-01 1.L17 HA = 3.941(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.2002e-01 1.L17 HB2 = 1.470(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.8051e-01 1.L17 HB3 = 1.585(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.5672e-01 1.L17 HG = 1.533(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.4444e-01 1.L17 HD11 = 0.795(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7232e-01 1.L17 HD12 = 0.795(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7232e-01 1.L17 HD13 = 0.795(D), Expected = 0.75, Std = 0.2800, ChiSquare = 8.7232e-01 1.L17 HD21 = 0.806(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.9327e-01 1.L17 HD22 = 0.806(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.9327e-01 1.L17 HD23 = 0.806(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.9327e-01 1.R18 CA = 60.275(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.2919e-01 1.R18 CB = 30.252(D), Expected = 30.70, Std = 1.8300, ChiSquare = 8.0660e-01 1.R18 CG = 27.752(D), Expected = 27.21, Std = 1.2000, ChiSquare = 6.5151e-01 1.R18 CD = 43.875(D), Expected = 43.16, Std = 0.8800, ChiSquare = 4.1651e-01 1.R18 H = 8.537(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.2634e-01 1.R18 HA = 3.782(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.6013e-01 1.R18 HB2 = 1.881(D), Expected = 1.79, Std = 0.2700, ChiSquare = 7.3609e-01 1.R18 HB3 = 2.030(D), Expected = 1.76, Std = 0.2800, ChiSquare = 3.3490e-01 1.R18 HG2 = 1.636(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.0689e-01 1.R18 HG3 = 1.745(D), Expected = 1.54, Std = 0.2900, ChiSquare = 4.7963e-01 1.R18 HD2 = 3.172(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.2847e-01 1.R18 HD3 = 3.172(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.8184e-01 1.R18 HE = 7.653(D), Expected = 7.40, Std = 0.6300, ChiSquare = 6.8799e-01 1.K19 CA = 59.116(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.2485e-01 1.K19 H = 7.676(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.9163e-01 1.K19 HA = 4.123(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.3831e-01 1.K19 HB2 = 1.956(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.8143e-01 1.K19 HB3 = 1.956(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.2371e-01 1.K19 HE2 = 2.997(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.8528e-01 1.K19 HE3 = 2.997(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.6356e-01 1.K20 CA = 58.717(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.2187e-01 1.K20 H = 7.865(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.8805e-01 1.K20 HA = 4.164(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.0963e-01 1.K20 HE2 = 2.974(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.7625e-01 1.K20 HE3 = 2.974(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.4897e-01 1.V21 CA = 64.918(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.9591e-01 1.V21 CB = 32.093(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.2194e-01 1.V21 CG1 = 21.789(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.2599e-01 1.V21 CG2 = 22.162(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.6313e-01 1.V21 H = 8.164(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.5083e-01 1.V21 HA = 3.924(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.4651e-01 1.V21 HB = 2.226(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.4204e-01 1.V21 HG11 = 0.952(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.3890e-01 1.V21 HG12 = 0.952(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.3890e-01 1.V21 HG13 = 0.952(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.3890e-01 1.V21 HG21 = 1.015(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.4257e-01 1.V21 HG22 = 1.015(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.4257e-01 1.V21 HG23 = 1.015(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.4257e-01 1.S22 CA = 61.771(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4050e-01 1.S22 CB = 63.432(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.0363e-01 1.S22 HA = 4.113(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.5888e-01 1.S22 HB2 = 4.017(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.8369e-01 1.S22 HB3 = 4.107(D), Expected = 3.85, Std = 0.2700, ChiSquare = 3.4117e-01 1.K23 CA = 58.717(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.2187e-01 1.K23 H = 7.853(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.7434e-01 1.K23 HA = 4.168(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.1668e-01 1.K24 CA = 58.708(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.2424e-01 1.K24 H = 8.201(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8537e-01 1.K24 HA = 4.148(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.8157e-01 1.V25 CA = 66.477(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6330e-01 1.V25 CB = 31.852(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.2378e-01 1.V25 CG1 = 22.162(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.2122e-01 1.V25 CG2 = 23.102(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.3769e-01 1.V25 H = 8.263(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.6786e-01 1.V25 HA = 3.778(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.7749e-01 1.V25 HB = 2.267(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.6979e-01 1.V25 HG11 = 1.016(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7437e-01 1.V25 HG12 = 1.016(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7437e-01 1.V25 HG13 = 1.016(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.7437e-01 1.V25 HG21 = 1.090(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.0034e-01 1.V25 HG22 = 1.090(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.0034e-01 1.V25 HG23 = 1.090(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.0034e-01 1.K26 CA = 60.691(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.9045e-02 1.K26 H = 8.190(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.0000e+00 1.K26 HA = 4.021(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.7146e-01 1.K26 HE2 = 2.950(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.7454e-01 1.K26 HE3 = 2.950(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.4148e-01 1.K26 HZ1 = 7.766(U) 1.K26 HZ2 = 7.766(U) 1.K26 HZ3 = 7.766(U) 1.K27 CA = 59.821(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.9189e-01 1.K27 H = 7.858(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.8004e-01 1.K27 HA = 4.050(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.1707e-01 1.K27 HB2 = 1.949(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.9904e-01 1.K27 HB3 = 1.949(D), Expected = 1.74, Std = 0.2700, ChiSquare = 4.3889e-01 1.K27 HE2 = 2.960(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.3326e-01 1.K27 HE3 = 2.960(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.0259e-01 1.F28 CA = 61.127(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.3578e-01 1.F28 CB = 39.361(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.6345e-01 1.F28 CD1 = 131.826(D), Expected = 131.58, Std = 1.1800, ChiSquare = 8.3486e-01 1.F28 CD2 = 131.826(D), Expected = 131.63, Std = 1.1200, ChiSquare = 8.6108e-01 1.F28 CE1 = 131.166(D), Expected = 130.71, Std = 1.3000, ChiSquare = 7.2576e-01 1.F28 CE2 = 131.166(D), Expected = 130.76, Std = 1.1300, ChiSquare = 7.1938e-01 1.F28 CZ = 129.593(D), Expected = 129.21, Std = 1.4300, ChiSquare = 7.8883e-01 1.F28 H = 8.025(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.4173e-01 1.F28 HA = 4.305(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.6856e-01 1.F28 HB2 = 3.196(D), Expected = 3.00, Std = 0.3700, ChiSquare = 5.9630e-01 1.F28 HB3 = 3.196(D), Expected = 2.93, Std = 0.4000, ChiSquare = 5.0605e-01 1.F28 HD1 = 7.019(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.9478e-01 1.F28 HD2 = 7.019(D), Expected = 7.06, Std = 0.3100, ChiSquare = 8.9478e-01 1.F28 HE1 = 7.153(D), Expected = 7.08, Std = 0.3100, ChiSquare = 8.1383e-01 1.F28 HE2 = 7.153(D), Expected = 7.08, Std = 0.3200, ChiSquare = 8.1955e-01 1.F28 HZ = 7.150(D), Expected = 7.00, Std = 0.4200, ChiSquare = 7.2098e-01 1.F29 CA = 61.127(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.3578e-01 1.F29 CB = 39.145(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.8599e-01 1.F29 CD1 = 131.738(D), Expected = 131.58, Std = 1.1800, ChiSquare = 8.9348e-01 1.F29 CD2 = 131.738(D), Expected = 131.63, Std = 1.1200, ChiSquare = 9.2318e-01 1.F29 CE1 = 131.065(D), Expected = 130.71, Std = 1.3000, ChiSquare = 7.8479e-01 1.F29 CE2 = 131.065(D), Expected = 130.76, Std = 1.1300, ChiSquare = 7.8723e-01 1.F29 CZ = 129.340(D), Expected = 129.21, Std = 1.4300, ChiSquare = 9.2757e-01 1.F29 H = 8.408(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.4685e-01 1.F29 HA = 4.301(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.6381e-01 1.F29 HB2 = 3.187(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.1327e-01 1.F29 HB3 = 3.303(D), Expected = 2.93, Std = 0.4000, ChiSquare = 3.5108e-01 1.F29 HD1 = 7.382(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.9894e-01 1.F29 HD2 = 7.382(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.9894e-01 1.F29 HE1 = 7.278(D), Expected = 7.08, Std = 0.3100, ChiSquare = 5.2301e-01 1.F29 HE2 = 7.278(D), Expected = 7.08, Std = 0.3200, ChiSquare = 5.3608e-01 1.F29 HZ = 7.199(D), Expected = 7.00, Std = 0.4200, ChiSquare = 6.3564e-01 1.K30 CA = 59.081(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.3273e-01 1.K30 H = 7.980(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.2634e-01 1.K30 HA = 4.050(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.1707e-01 1.K30 HE2 = 3.018(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.0600e-01 1.K30 HE3 = 3.018(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.8920e-01 1.K30 HZ1 = 7.747(U) 1.K30 HZ2 = 7.747(U) 1.K30 HZ3 = 7.747(U) 1.K31 CA = 57.973(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.4193e-01 1.K31 CG = 26.167(D), Expected = 24.89, Std = 1.1300, ChiSquare = 2.5844e-01 1.K31 CE = 41.980(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.1260e-01 1.K31 H = 7.598(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.2381e-01 1.K31 HA = 4.066(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.4291e-01 1.K31 HG2 = 1.199(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.1074e-01 1.K31 HG3 = 1.268(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.6963e-01 1.K31 HD2 = 1.544(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.6418e-01 1.K31 HD3 = 1.544(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.9907e-01 1.K31 HE2 = 2.848(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.0473e-01 1.K31 HE3 = 2.848(D), Expected = 2.91, Std = 0.2000, ChiSquare = 7.5656e-01 1.K31 HZ1 = 7.674(U) 1.K31 HZ2 = 7.674(U) 1.K31 HZ3 = 7.674(U) 1.F32 CA = 59.070(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.0008e-01 1.F32 CB = 39.758(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.1161e-01 1.F32 CD1 = 131.919(D), Expected = 131.58, Std = 1.1800, ChiSquare = 7.7389e-01 1.F32 CD2 = 131.919(D), Expected = 131.63, Std = 1.1200, ChiSquare = 7.9638e-01 1.F32 CE1 = 131.166(D), Expected = 130.71, Std = 1.3000, ChiSquare = 7.2576e-01 1.F32 CE2 = 131.166(D), Expected = 130.76, Std = 1.1300, ChiSquare = 7.1938e-01 1.F32 CZ = 129.404(D), Expected = 129.21, Std = 1.4300, ChiSquare = 8.9209e-01 1.F32 H = 7.800(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.3670e-01 1.F32 HA = 4.382(D), Expected = 4.63, Std = 0.5700, ChiSquare = 6.6350e-01 1.F32 HB2 = 2.790(D), Expected = 3.00, Std = 0.3700, ChiSquare = 5.7033e-01 1.F32 HB3 = 3.088(D), Expected = 2.93, Std = 0.4000, ChiSquare = 6.9284e-01 1.F32 HD1 = 7.177(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.0586e-01 1.F32 HD2 = 7.177(D), Expected = 7.06, Std = 0.3100, ChiSquare = 7.0586e-01 1.F32 HE1 = 7.152(D), Expected = 7.08, Std = 0.3100, ChiSquare = 8.1634e-01 1.F32 HE2 = 7.152(D), Expected = 7.08, Std = 0.3200, ChiSquare = 8.2198e-01 1.F32 HZ = 7.168(D), Expected = 7.00, Std = 0.4200, ChiSquare = 6.8916e-01 1.R33 CA = 56.376(D), Expected = 56.77, Std = 2.3100, ChiSquare = 8.6457e-01 1.R33 CB = 30.502(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.1384e-01 1.R33 CG = 27.151(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.6079e-01 1.R33 CD = 43.429(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.5985e-01 1.R33 H = 7.892(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.6834e-01 1.R33 HA = 4.195(D), Expected = 4.30, Std = 0.4600, ChiSquare = 8.1944e-01 1.R33 HB2 = 1.716(D), Expected = 1.79, Std = 0.2700, ChiSquare = 7.8403e-01 1.R33 HB3 = 1.842(D), Expected = 1.76, Std = 0.2800, ChiSquare = 7.6963e-01 1.R33 HG2 = 1.577(D), Expected = 1.57, Std = 0.2700, ChiSquare = 9.7932e-01 1.R33 HG3 = 1.577(D), Expected = 1.54, Std = 0.2900, ChiSquare = 8.9848e-01 1.R33 HD2 = 3.126(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.8006e-01 1.R33 HD3 = 3.126(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.2034e-01 1.R33 HE = 7.505(D), Expected = 7.40, Std = 0.6300, ChiSquare = 8.6763e-01 1.K34 CA = 56.554(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.5715e-01 1.K34 CB = 32.945(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.3061e-01 1.K34 CG = 24.880(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.9294e-01 1.K34 CD = 29.490(D), Expected = 28.96, Std = 1.0800, ChiSquare = 6.2361e-01 1.K34 CE = 42.110(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.8847e-01 1.K34 H = 8.044(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0775e-01 1.K34 HA = 4.194(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.6287e-01 1.K34 HB2 = 1.804(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.2352e-01 1.K34 HB3 = 1.858(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.6208e-01 1.K34 HG2 = 1.459(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.3212e-01 1.K34 HG3 = 1.494(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.0705e-01 1.K34 HD2 = 1.703(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.7249e-01 1.K34 HD3 = 1.703(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.3965e-01 1.K34 HE2 = 3.001(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.6988e-01 1.K34 HE3 = 3.001(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.4911e-01 1.K34 HZ1 = 7.610(U) 1.K34 HZ2 = 7.610(U) 1.K34 HZ3 = 7.610(U)