Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.56 E 0.28 Q 0.14 K 0.01 C Shift Assignments>> C :: 174.3000 CA :: 54.5510(D) CB :: 35.3270(D) CG :: 31.8910(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 :: 8.4310 HA :: 4.6920(D) HB2 :: 2.0060(D) HB3 :: 1.8920(D) HG2 :: 2.4860(D) HG3 :: 2.3860(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 :: 120.2630 Ave N Shift Values>> N :: 120.09(3.57) 1.T2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.1460 CA :: 63.0740(D) CB :: 69.2910(D) CG2 :: 21.7050(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 :: 8.1060 HA :: 4.7460(D) HB :: 3.8700(D) HG21 :: 1.1700(D) HG22 :: 1.1700(D) HG23 :: 1.1700(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 :: 117.0980 Ave N Shift Values>> N :: 115.42(4.75) 1.F3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.42 F 0.14 K 0.14 D 0.11 Y 0.09 G 0.06 C Shift Assignments>> C :: 174.0930 CA :: 56.7690(D) CB :: 43.2520(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 :: 9.4120 HA :: 5.3320(D) HB2 :: 3.0660(D) HB3 :: 2.8400(D) HD1 :: 7.3220(D) HE1 :: 6.3160(D) HZ :: 5.9120(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 :: 126.5380 Ave N Shift Values>> N :: 120.45(4.18) 1.K4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.98 G 0.01 C Shift Assignments>> C :: 173.8040 CA :: 54.7130(D) CB :: 35.7770(D) CG :: 25.4130(D) CD :: 29.0750(D) CE :: 41.8130(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 :: 8.7130 HA :: 5.1430(D) HB2 :: 2.0500(D) HB3 :: 1.8720(D) HG2 :: 1.5130(D) HD2 :: 1.6440(D) HE2 :: 2.8910(D) HE3 :: 2.7990(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 :: 122.3650 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.75 L 0.24 C Shift Assignments>> C :: 174.7070 CA :: 53.0230(D) CB :: 46.7030(D) CG :: 27.4090(D) CD1 :: 26.5470(D) CD2 :: 25.3800(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 :: 9.0000 HA :: 5.5270(D) HB2 :: 1.7370(D) HB3 :: 1.4130(D) HG :: 1.2300(D) HD11 :: 0.9020(D) HD12 :: 0.9020(D) HD13 :: 0.9020(D) HD21 :: 0.7110(D) HD22 :: 0.7110(D) HD23 :: 0.7110(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 :: 125.2070 Ave N Shift Values>> N :: 121.86(3.9) 1.I6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.6520 CA :: 60.5530(D) CB :: 38.0730(D) CG1 :: 27.5060(D) CG2 :: 17.0460(D) CD1 :: 12.6530(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 :: 9.3260 HA :: 4.3530(D) HB :: 2.0750(D) HG12 :: 1.4900(D) HG13 :: 1.1920(D) HG21 :: 0.8600(D) HG22 :: 0.8600(D) HG23 :: 0.8600(D) HD11 :: 0.8310(D) HD12 :: 0.8310(D) HD13 :: 0.8310(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 :: 127.1950 Ave N Shift Values>> N :: 121.46(4.28) 1.I7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.9280 CA :: 60.6740(D) CB :: 39.2690(D) CG1 :: 27.9800(D) CG2 :: 18.4320(D) CD1 :: 14.4830(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 :: 8.7770 HA :: 4.1220(D) HB :: 1.5650(D) HG12 :: 1.4520(D) HG13 :: 0.6630(D) HG21 :: 0.7700(D) HG22 :: 0.7700(D) HG23 :: 0.7700(D) HD11 :: 0.8350(D) HD12 :: 0.8350(D) HD13 :: 0.8350(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 :: 126.4110 Ave N Shift Values>> N :: 121.46(4.28) 1.N8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> N 0.83 D 0.06 Y 0.03 F 0.02 M 0.01 L 0.01 C Shift Assignments>> C :: 175.7750 CA :: 50.8430(D) CB :: 37.7070(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 :: 8.9910 HA :: 5.3430(D) HB2 :: 3.0340(D) HB3 :: 2.5760(D) HD21 :: 7.1740 HD22 :: 6.8340 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 :: 129.4670 ND2 :: 111.5640 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.65 L 0.26 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.7300 CA :: 44.5810(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.9510 HA2 :: 4.4810(D) HA3 :: 4.1160(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.5110 Ave N Shift Values>> N :: 109.67(3.87) 1.K10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 179.0800 CA :: 59.3350(D) CB :: 32.4910(D) CG :: 25.4040(D) CD :: 29.0060(D) CE :: 41.8500(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 :: 9.5520 HA :: 4.1120(D) HB2 :: 1.8630(D) HG2 :: 1.5060(D) HD2 :: 1.7230(D) HE2 :: 3.0370(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 :: 121.1710 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.7980 CA :: 61.9020(D) CB :: 69.8640(D) CG2 :: 21.7040(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 :: 8.8650 HA :: 4.4050(D) HB :: 4.2320(D) HG21 :: 1.1550(D) HG22 :: 1.1550(D) HG23 :: 1.1550(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.8860 Ave N Shift Values>> N :: 115.42(4.75) 1.L12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.81 G 0.16 A 0.01 C Shift Assignments>> C :: 173.6440 CA :: 55.0620(D) CB :: 43.6340(D) CG :: 27.4490(D) CD1 :: 24.9500(D) CD2 :: 23.9520(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 :: 7.5920 HA :: 4.4820(D) HB2 :: 1.6770(D) HB3 :: 1.4800(D) HG :: 1.4130(D) HD11 :: 0.8570(D) HD12 :: 0.8570(D) HD13 :: 0.8570(D) HD21 :: 0.9360(D) HD22 :: 0.9360(D) HD23 :: 0.9360(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 :: 125.6930 Ave N Shift Values>> N :: 121.86(3.9) 1.K13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.94 G 0.05 C Shift Assignments>> C :: 176.5130 CA :: 53.7510(D) CB :: 34.4580(D) CG :: 25.1930(D) CD :: 29.2010(D) CE :: 42.5020(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 :: 8.1560 HA :: 5.1860(D) HB2 :: 1.9400(D) HB3 :: 1.7930(D) HG2 :: 1.5010(D) HD2 :: 1.7500(D) HE2 :: 3.0440(D) HE3 :: 2.9340(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 :: 123.6400 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.87 L 0.1 F 0.01 C Shift Assignments>> C :: 171.4460 CA :: 45.2700(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.3860 HA2 :: 4.3400(D) HA3 :: 4.1510(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.3780 Ave N Shift Values>> N :: 109.67(3.87) 1.E15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.71 E 0.25 Q 0.03 C Shift Assignments>> C :: 175.2860 CA :: 54.8930(D) CB :: 34.1830(D) CG :: 35.7770(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 :: 8.4910 HA :: 5.6710(S) HB2 :: 2.1260(D) HB3 :: 1.9710(D) HG2 :: 2.2140(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 :: 118.5950 Ave N Shift Values>> N :: 120.67(3.48) 1.T16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.98 A 0.01 C Shift Assignments>> C :: 171.9850 CA :: 60.8660(D) CB :: 69.2920(D) CG2 :: 18.4760(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 :: 8.8050 HA :: 4.7100(D) HB :: 3.8020(D) HG21 :: 0.3400(S) HG22 :: 0.3400(S) HG23 :: 0.3400(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 :: 115.4560 Ave N Shift Values>> N :: 115.42(4.75) 1.T17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.7650 CA :: 59.4560(D) CB :: 71.7780(D) CG2 :: 21.4430(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 :: 7.8970 HA :: 5.6300(D) HB :: 2.5200(S) HG21 :: 1.1410(D) HG22 :: 1.1410(D) HG23 :: 1.1410(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 :: 111.7140 Ave N Shift Values>> N :: 115.42(4.75) 1.T18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.7 V 0.23 T 0.03 M 0.02 C Shift Assignments>> C :: 171.0260 CA :: 61.6940(D) CG2 :: 18.6570(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 :: 9.0810 HA :: 4.6960(D) HG21 :: 1.0280(D) HG22 :: 1.0280(D) HG23 :: 1.0280(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.7690 Ave N Shift Values>> N :: 115.42(4.75) 1.E19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> E 0.56 M 0.36 Q 0.04 K 0.02 C Shift Assignments>> C :: 176.4760 CA :: 54.7560(D) CB :: 31.2470(D) CG :: 36.5250(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 :: 8.0770 HA :: 5.5600(D) HB2 :: 1.9410(D) HG2 :: 2.1150(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.4000 Ave N Shift Values>> N :: 120.67(3.48) 1.A20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.72 A 0.15 K 0.11 C Shift Assignments>> C :: 177.3520 CA :: 51.1530(D) CB :: 23.6830(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.4000 HA :: 4.9530(D) HB1 :: 1.4510(D) HB2 :: 1.4510(D) HB3 :: 1.4510(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.4350 Ave N Shift Values>> N :: 123.23(3.54) 1.V21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.7640 CA :: 63.6020(D) CB :: 32.1740(D) CG1 :: 20.9270(D) CG2 :: 19.9660(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 :: 8.5580 HA :: 4.1950(D) HB :: 2.2250(D) HG11 :: 1.0100(D) HG12 :: 1.0100(D) HG13 :: 1.0100(D) HG21 :: 1.0130(D) HG22 :: 1.0130(D) HG23 :: 1.0130(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 114.4750 Ave N Shift Values>> N :: 121.14(4.54) 1.D22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.35 D 0.35 K 0.1 N 0.07 F 0.04 G 0.03 Y 0.02 C Shift Assignments>> C :: 174.3420 CA :: 52.5550(D) CB :: 42.4870(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 :: 7.3280 HA :: 4.7200(D) HB2 :: 3.0620(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 :: 113.6880 Ave N Shift Values>> N :: 120.65(3.86) 1.A23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.59 A 0.37 I 0.02 HN Overlap>> 1.L30 1.L30 C Shift Assignments>> C :: 179.0280 CA :: 54.8260(D) CB :: 17.5470(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.7270 HA :: 4.1900(D) HB1 :: 1.2220(D) HB2 :: 1.2220(D) HB3 :: 1.2220(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.8730 Ave N Shift Values>> N :: 123.23(3.54) 1.A24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.55 A 0.4 I 0.03 HN Overlap>> 1.I39 1.I39 C Shift Assignments>> C :: 181.0180 CA :: 54.9140(D) CB :: 17.8840(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1630 HA :: 4.0010(D) HB1 :: 1.3300(D) HB2 :: 1.3300(D) HB3 :: 1.3300(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.1880 Ave N Shift Values>> N :: 123.23(3.54) 1.T25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.2260 CA :: 66.6030(D) CB :: 68.0230(D) CG2 :: 21.2330(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 :: 8.3650 HA :: 3.7750(D) HB :: 4.0580(D) HG21 :: 1.2950(D) HG22 :: 1.2950(D) HG23 :: 1.2950(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.4030 Ave N Shift Values>> N :: 115.42(4.75) 1.A26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.5 A 0.45 I 0.02 C Shift Assignments>> C :: 178.0900 CA :: 54.8630(D) CB :: 18.1530(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.5380 HA :: 3.4590(D) HB1 :: 0.6110(D) HB2 :: 0.6110(D) HB3 :: 0.6110(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.2760 Ave N Shift Values>> N :: 123.23(3.54) 1.E27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.48 I 0.19 K 0.17 Q 0.12 M 0.02 C Shift Assignments>> C :: 177.1180 CA :: 59.4370(D) CB :: 29.3060(D) CG :: 35.6780(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 :: 8.4020 HA :: 2.5420(S) HB2 :: 1.9540(D) HB3 :: 1.7870(D) HG2 :: 1.5540(S) 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 :: 117.1110 Ave N Shift Values>> N :: 120.67(3.48) 1.K28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 179.8560 CA :: 59.5220(D) CB :: 32.4070(D) CG :: 24.7660(D) CD :: 29.0230(D) CE :: 41.8570(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.8610 HA :: 3.7250(D) HB2 :: 1.8720(D) HG2 :: 1.5550(D) HD2 :: 1.6420(D) HE2 :: 2.9430(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.1900 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.2770 CA :: 65.9060(D) CB :: 32.5070(D) CG1 :: 21.8690(D) CG2 :: 20.6950(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 :: 7.4650 HA :: 3.7040(D) HB :: 2.0270(D) HG11 :: 1.0750(D) HG12 :: 1.0750(D) HG13 :: 1.0750(D) HG21 :: 0.9910(D) HG22 :: 0.9910(D) HG23 :: 0.9910(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.7940 Ave N Shift Values>> N :: 121.14(4.54) 1.L30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.64 A 0.21 I 0.13 HN Overlap>> 1.A23 1.A23 C Shift Assignments>> C :: 179.0310 CA :: 57.4960(D) CB :: 40.5060(D) CG :: 26.3990(D) CD1 :: 21.1220(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 :: 8.7070 HA :: 4.1640(D) HB2 :: 1.5420(D) HB3 :: 1.4710(D) HG :: 1.4700(D) HD11 :: 0.6120(D) HD12 :: 0.6120(D) HD13 :: 0.6120(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.9030 Ave N Shift Values>> N :: 121.86(3.9) 1.K31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 179.4810 CA :: 59.8030(D) CB :: 31.6530(D) CG :: 25.5770(D) CD :: 28.9540(D) CE :: 41.0190(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 :: 8.6790 HA :: 4.1010(D) HB2 :: 1.5030(D) HB3 :: 1.4060(D) HG2 :: 0.5960(D) HG3 :: 0.1100(S) HD2 :: 0.9890(D) HD3 :: 0.9320(D) HE2 :: 1.7910(S) HE3 :: 1.5950(S) 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 :: 121.1910 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: Consistent PRTL>> Q 0.45 K 0.42 E 0.04 I 0.03 M 0.03 C Shift Assignments>> C :: 177.2440 CA :: 58.6970(D) CB :: 27.8620(D) CG :: 33.4200(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 :: 7.4460 HA :: 3.9960(D) HB2 :: 2.2270(D) HG2 :: 2.4190(D) HE21 :: 7.9440 HE22 :: 6.8910 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.2030 NE2 :: 115.7750 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.62 Y 0.18 F 0.13 E 0.03 V 0.01 C Shift Assignments>> C :: 178.8830 CA :: 61.7310(D) CB :: 37.6820(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 :: 7.9930 HA :: 4.2250(D) HB2 :: 3.3690(D) HB3 :: 3.1500(D) HD1 :: 6.9520(D) HE1 :: 6.7100(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 :: 120.8130 Ave N Shift Values>> N :: 120.52(4.2) 1.A34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.69 A 0.2 I 0.09 C Shift Assignments>> C :: 179.4230 CA :: 56.1540(D) CB :: 17.8560(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.6520 HA :: 3.8630(D) HB1 :: 1.8650(D) HB2 :: 1.8650(D) HB3 :: 1.8650(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.9320 Ave N Shift Values>> N :: 123.23(3.54) 1.N35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.33 F 0.28 N 0.09 D 0.09 I 0.07 L 0.05 E 0.04 M 0.01 C Shift Assignments>> C :: 179.3320 CA :: 56.7340(D) CB :: 38.6230(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 :: 8.6220 HA :: 4.4620(D) HB2 :: 2.9270(D) HD21 :: 7.5800 HD22 :: 6.9370 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.7540 ND2 :: 111.7020 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> F 0.29 Y 0.27 D 0.16 L 0.13 N 0.05 I 0.05 K 0.02 C Shift Assignments>> C :: 177.0920 CA :: 56.8100(D) CB :: 40.0360(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 :: 8.9380 HA :: 4.3830(D) HB2 :: 2.7220(D) HB3 :: 2.5830(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.8720 Ave N Shift Values>> N :: 120.65(3.86) 1.N37 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> D 0.33 N 0.32 L 0.13 F 0.1 Y 0.08 C Shift Assignments>> C :: 173.9670 CA :: 53.6770(D) CB :: 39.9850(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 :: 7.3890 HA :: 4.6400(D) HB2 :: 2.7180(D) HB3 :: 2.1490(D) HD21 :: 6.6360 HD22 :: 6.3260 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.9990 ND2 :: 115.2010 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.93 L 0.05 C Shift Assignments>> C :: 174.2000 CA :: 46.8470(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.8490 HA2 :: 3.9310(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.2640 Ave N Shift Values>> N :: 109.67(3.87) 1.I39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.A24 1.A24 C Shift Assignments>> C :: 174.6620 CA :: 59.2160(D) CB :: 38.1630(D) CG1 :: 26.7130(D) CG2 :: 17.9770(D) CD1 :: 12.3150(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 :: 8.0940 HA :: 4.2590(D) HB :: 1.7660(D) HG12 :: 1.2410(D) HG21 :: 0.6990(D) HG22 :: 0.6990(D) HG23 :: 0.6990(D) HD11 :: 0.7650(D) HD12 :: 0.7650(D) HD13 :: 0.7650(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.1170 Ave N Shift Values>> N :: 121.46(4.28) 1.D40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.43 D 0.28 G 0.1 K 0.06 F 0.04 N 0.03 Y 0.02 C Shift Assignments>> C :: 174.3320 CA :: 52.8530(D) CB :: 43.1030(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 :: 8.8530 HA :: 4.9380(D) HB2 :: 2.7740(D) HB3 :: 2.5750(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 :: 128.6940 Ave N Shift Values>> N :: 120.65(3.86) 1.G41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.87 L 0.1 F 0.01 C Shift Assignments>> C :: 171.9350 CA :: 45.2760(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.0470 HA2 :: 4.3400(D) HA3 :: 3.6550(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.5990 Ave N Shift Values>> N :: 109.67(3.87) 1.E42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.43 E 0.42 Q 0.11 K 0.02 C Shift Assignments>> C :: 177.0930 CA :: 55.5010(D) CB :: 31.5700(D) CG :: 35.7100(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 :: 8.2340 HA :: 4.7460(D) HB2 :: 2.0830(D) HB3 :: 1.9950(D) HG2 :: 2.3790(D) HG3 :: 2.2760(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 :: 120.4540 Ave N Shift Values>> N :: 120.67(3.48) 1.W43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> W 0.27 E 0.26 Q 0.18 K 0.1 M 0.1 V 0.03 I 0.03 C Shift Assignments>> C :: 177.0550 CA :: 57.9670(D) CB :: 30.4320(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.3550 HA :: 5.4090(D) HB2 :: 3.3450(D) HB3 :: 3.1590(D) HD1 :: 7.5220(D) HE1 :: 10.4880 HE3 :: 7.5200(D) HZ2 :: 7.2480(D) HZ3 :: 6.4950(D) HH2 :: 6.7000(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 128.7910 NE1 :: 130.9810 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.7180 CA :: 60.3830(D) CB :: 72.2450(D) CG2 :: 22.0000(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 :: 9.2690 HA :: 4.8400(D) HB :: 4.2690(D) HG21 :: 1.2230(D) HG22 :: 1.2230(D) HG23 :: 1.2230(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.0060 Ave N Shift Values>> N :: 115.42(4.75) 1.Y45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.27 L 0.22 F 0.18 D 0.14 Y 0.13 I 0.01 N 0.01 C Shift Assignments>> C :: 173.2250 CA :: 56.7830(D) CB :: 41.6620(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 :: 8.5710 HA :: 4.9890(D) HB2 :: 2.9710(D) HB3 :: 2.5430(D) HD1 :: 7.5720(D) HE1 :: 6.3420(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 :: 120.5830 Ave N Shift Values>> N :: 120.52(4.2) 1.D46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.37 D 0.31 G 0.15 K 0.05 N 0.05 F 0.03 Y 0.01 C Shift Assignments>> C :: 174.4850 CA :: 51.7830(D) CB :: 42.9880(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 :: 7.6950 HA :: 4.5890(D) HB2 :: 2.5870(D) HB3 :: 2.2680(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 :: 128.6450 Ave N Shift Values>> N :: 120.65(3.86) 1.D47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.28 K 0.27 D 0.17 F 0.14 Y 0.1 N 0.01 C Shift Assignments>> C :: 178.1220 CA :: 56.2130(D) CB :: 42.0250(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 :: 8.5160 HA :: 4.0870(D) HB2 :: 2.7960(D) HB3 :: 2.5150(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 :: 125.0920 Ave N Shift Values>> N :: 120.65(3.86) 1.A48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> M 0.5 A 0.45 I 0.03 C Shift Assignments>> C :: 179.8360 CA :: 54.9770(D) CB :: 18.2640(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2860 HA :: 4.0940(D) HB1 :: 1.5090(D) HB2 :: 1.5090(D) HB3 :: 1.5090(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.8820 Ave N Shift Values>> N :: 123.23(3.54) 1.T49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.1740 CA :: 60.3120(D) CB :: 70.0670(D) CG2 :: 21.1200(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 6.9670 HA :: 4.3900(D) HB :: 4.4070(D) HG21 :: 1.0750(D) HG22 :: 1.0750(D) HG23 :: 1.0750(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 :: 104.507 Ave N Shift Values>> N :: 115.42(4.75) 1.K50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.81 L 0.12 G 0.06 C Shift Assignments>> C :: 174.8060 CA :: 56.6520(D) CB :: 29.3950(D) CG :: 24.4910(D) CD :: 28.1200(D) CE :: 42.4860(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 :: 7.8030 HA :: 4.0910(D) HB2 :: 1.8990(D) HB3 :: 1.7300(D) HG2 :: 1.2570(D) HG3 :: 1.1670(D) HD2 :: 1.4400(D) HE2 :: 3.0160(D) HE3 :: 2.9400(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 :: 123.7330 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.7790 CA :: 62.2030(D) CB :: 72.0320(D) CG2 :: 21.0340(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 :: 7.3650 HA :: 5.3590(D) HB :: 3.7800(D) HG21 :: 1.0460(D) HG22 :: 1.0460(D) HG23 :: 1.0460(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 :: 111.3550 Ave N Shift Values>> N :: 115.42(4.75) 1.F52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.29 K 0.27 F 0.17 Y 0.11 D 0.1 G 0.01 I 0.01 C Shift Assignments>> C :: 174.6370 CA :: 57.2430(D) CB :: 42.6130(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 :: 10.3660 HA :: 5.6740(D) HB2 :: 3.2880(D) HD1 :: 7.5720(D) HE1 :: 7.0210(D) HZ :: 6.9240(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 :: 131.2870 Ave N Shift Values>> N :: 120.45(4.18) 1.T53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.5270 CA :: 61.6990(D) CB :: 70.9030(D) CG2 :: 20.6250(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 :: 9.1170 HA :: 5.2510(D) HB :: 3.8340(D) HG21 :: 0.9890(D) HG22 :: 0.9890(D) HG23 :: 0.9890(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 :: 117.8130 Ave N Shift Values>> N :: 115.42(4.75) 1.V54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.9 A 0.09 C Shift Assignments>> C :: 172.8470 CA :: 57.5730(D) CB :: 32.7030(D) CG1 :: 21.5040(D) CG2 :: 20.5260(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 :: 8.3950 HA :: 4.6180(D) HB :: -0.1850(S) HG11 :: -0.0700(S) HG12 :: -0.0700(S) HG13 :: -0.0700(S) HG21 :: 0.5520(D) HG22 :: 0.5520(D) HG23 :: 0.5520(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 :: 123.6550 Ave N Shift Values>> N :: 121.14(4.54) 1.T55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.3060 CA :: 61.7860(D) CB :: 70.6710(D) CG2 :: 21.2330(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 :: 8.4410 HA :: 4.8030(D) HB :: 3.8990(D) HG21 :: 1.2890(D) HG22 :: 1.2890(D) HG23 :: 1.2890(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 :: 124.8430 Ave N Shift Values>> N :: 115.42(4.75) 1.E56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Suspicious PRTL>> E 0.61 M 0.35 I 0.03 C Shift Assignments>> CA :: 58.3300(D) CB :: 32.6910(D) CG :: 37.5050(D) Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.8500 HA :: 4.2970(D) HB2 :: 2.2010(D) HB3 :: 2.0010(D) HG2 :: 2.3380(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 :: 133.7280(S) Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 49 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 56 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 56 #Suspicious: 0 C Shift Results: #Consistent: 55 #Duplicate: 166 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 65 #Duplicate: 271 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 60 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.M1 CA = 54.5510(D), Expected = 56.11, Std = 2.2300, ChiSquare = 4.8449e-01 1.M1 CB = 35.3270(D), Expected = 32.99, Std = 2.2400, ChiSquare = 2.9681e-01 1.M1 CG = 31.8910(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.2355e-01 1.M1 HA = 4.6920(D), Expected = 4.41, Std = 0.4800, ChiSquare = 5.5687e-01 1.M1 HB2 = 2.0060(D), Expected = 2.03, Std = 0.3400, ChiSquare = 9.4373e-01 1.M1 HB3 = 1.8920(D), Expected = 1.99, Std = 0.3400, ChiSquare = 7.7317e-01 1.M1 HG2 = 2.4860(D), Expected = 2.42, Std = 0.3500, ChiSquare = 8.5043e-01 1.M1 HG3 = 2.3860(D), Expected = 2.39, Std = 0.3800, ChiSquare = 9.9160e-01 1.T2 CA = 63.0740(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.4160e-01 1.T2 CB = 69.2910(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.8768e-01 1.T2 CG2 = 21.7050(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.8894e-01 1.T2 HA = 4.7460(D), Expected = 4.46, Std = 0.4800, ChiSquare = 5.5129e-01 1.T2 HB = 3.8700(D), Expected = 4.17, Std = 0.3300, ChiSquare = 3.6330e-01 1.T2 HG21 = 1.1700(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.9622e-01 1.T2 HG22 = 1.1700(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.9622e-01 1.T2 HG23 = 1.1700(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.9622e-01 1.F3 CA = 56.7690(D), Expected = 58.08, Std = 2.5700, ChiSquare = 6.0997e-01 1.F3 CB = 43.2520(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.1858e-01 1.F3 HA = 5.3320(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.1811e-01 1.F3 HB2 = 3.0660(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.5843e-01 1.F3 HB3 = 2.8400(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.2198e-01 1.F3 HD1 = 7.3220(D), Expected = 7.06, Std = 0.3100, ChiSquare = 3.9802e-01 1.F3 HE1 = 6.3160(D), Expected = 7.08, Std = 0.3100, ChiSquare = 1.3720e-02 1.F3 HZ = 5.9120(D), Expected = 7.00, Std = 0.4200, ChiSquare = 9.5843e-03 1.K4 CA = 54.7130(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.0924e-01 1.K4 CB = 35.7770(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.3330e-02 1.K4 CG = 25.4130(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.4348e-01 1.K4 CD = 29.0750(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.1520e-01 1.K4 CE = 41.8130(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.2519e-01 1.K4 HA = 5.1430(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.7246e-02 1.K4 HB2 = 2.0500(D), Expected = 1.78, Std = 0.2500, ChiSquare = 2.8014e-01 1.K4 HB3 = 1.8720(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.2492e-01 1.K4 HG2 = 1.5130(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.8232e-01 1.K4 HD2 = 1.6440(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.7718e-01 1.K4 HE2 = 2.8910(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.7869e-01 1.K4 HE3 = 2.7990(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.7889e-01 1.L5 CA = 53.0230(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.2275e-01 1.L5 CB = 46.7030(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.9455e-02 1.L5 CG = 27.4090(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.6745e-01 1.L5 CD1 = 26.5470(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.5053e-01 1.L5 CD2 = 25.3800(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.3401e-01 1.L5 HA = 5.5270(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.0226e-02 1.L5 HB2 = 1.7370(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.0875e-01 1.L5 HB3 = 1.4130(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.6630e-01 1.L5 HG = 1.2300(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.9617e-01 1.L5 HD11 = 0.9020(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.8723e-01 1.L5 HD12 = 0.9020(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.8723e-01 1.L5 HD13 = 0.9020(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.8723e-01 1.L5 HD21 = 0.7110(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.4776e-01 1.L5 HD22 = 0.7110(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.4776e-01 1.L5 HD23 = 0.7110(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.4776e-01 1.I6 CA = 60.5530(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.9328e-01 1.I6 CB = 38.0730(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.8275e-01 1.I6 CG1 = 27.5060(D), Expected = 27.71, Std = 1.6800, ChiSquare = 9.0335e-01 1.I6 CG2 = 17.0460(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.2193e-01 1.I6 CD1 = 12.6530(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.4174e-01 1.I6 HA = 4.3530(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.5738e-01 1.I6 HB = 2.0750(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.0904e-01 1.I6 HG12 = 1.4900(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.9958e-01 1.I6 HG13 = 1.1920(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.9611e-01 1.I6 HG21 = 0.8600(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.3888e-01 1.I6 HG22 = 0.8600(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.3888e-01 1.I6 HG23 = 0.8600(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.3888e-01 1.I6 HD11 = 0.8310(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0258e-01 1.I6 HD12 = 0.8310(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0258e-01 1.I6 HD13 = 0.8310(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.0258e-01 1.I7 CA = 60.6740(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.2690e-01 1.I7 CB = 39.2690(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.5175e-01 1.I7 CG1 = 27.9800(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.7232e-01 1.I7 CG2 = 18.4320(D), Expected = 17.53, Std = 1.3600, ChiSquare = 5.0718e-01 1.I7 CD1 = 14.4830(D), Expected = 13.43, Std = 1.6700, ChiSquare = 5.2834e-01 1.I7 HA = 4.1220(D), Expected = 4.18, Std = 0.5600, ChiSquare = 9.1751e-01 1.I7 HB = 1.5650(D), Expected = 1.78, Std = 0.2900, ChiSquare = 4.5846e-01 1.I7 HG12 = 1.4520(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.6720e-01 1.I7 HG13 = 0.6630(D), Expected = 1.19, Std = 0.4100, ChiSquare = 1.9866e-01 1.I7 HG21 = 0.7700(D), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0000e+00 1.I7 HG22 = 0.7700(D), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0000e+00 1.I7 HG23 = 0.7700(D), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0000e+00 1.I7 HD11 = 0.8350(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9301e-01 1.I7 HD12 = 0.8350(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9301e-01 1.I7 HD13 = 0.8350(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9301e-01 1.N8 CA = 50.8430(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.5141e-01 1.N8 CB = 37.7070(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.6080e-01 1.N8 HA = 5.3430(D), Expected = 4.67, Std = 0.3600, ChiSquare = 6.1561e-02 1.N8 HB2 = 3.0340(D), Expected = 2.81, Std = 0.3100, ChiSquare = 4.6994e-01 1.N8 HB3 = 2.5760(D), Expected = 2.75, Std = 0.3300, ChiSquare = 5.9800e-01 1.G9 CA = 44.5810(D), Expected = 45.35, Std = 1.3400, ChiSquare = 5.6605e-01 1.G9 HA2 = 4.4810(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.6725e-01 1.G9 HA3 = 4.1160(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.5937e-01 1.K10 CA = 59.3350(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.7832e-01 1.K10 CB = 32.4910(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.6660e-01 1.K10 CG = 25.4040(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.4920e-01 1.K10 CD = 29.0060(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.6603e-01 1.K10 CE = 41.8500(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.6109e-01 1.K10 HA = 4.1120(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.1953e-01 1.K10 HB2 = 1.8630(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.3989e-01 1.K10 HG2 = 1.5060(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.0092e-01 1.K10 HD2 = 1.7230(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.0751e-01 1.K10 HE2 = 3.0370(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.3803e-01 1.T11 CA = 61.9020(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0228e-01 1.T11 CB = 69.8640(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.3448e-01 1.T11 CG2 = 21.7040(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.8966e-01 1.T11 HA = 4.4050(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.0878e-01 1.T11 HB = 4.2320(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.5097e-01 1.T11 HG21 = 1.1550(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.4800e-01 1.T11 HG22 = 1.1550(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.4800e-01 1.T11 HG23 = 1.1550(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.4800e-01 1.L12 CA = 55.0620(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.9334e-01 1.L12 CB = 43.6340(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.8127e-01 1.L12 CG = 27.4490(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.4307e-01 1.L12 CD1 = 24.9500(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.8498e-01 1.L12 CD2 = 23.9520(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.5403e-01 1.L12 HA = 4.4820(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.3033e-01 1.L12 HB2 = 1.6770(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.4378e-01 1.L12 HB3 = 1.4800(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.1153e-01 1.L12 HG = 1.4130(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.6880e-01 1.L12 HD11 = 0.8570(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0236e-01 1.L12 HD12 = 0.8570(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0236e-01 1.L12 HD13 = 0.8570(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0236e-01 1.L12 HD21 = 0.9360(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7749e-01 1.L12 HD22 = 0.9360(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7749e-01 1.L12 HD23 = 0.9360(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.7749e-01 1.K13 CA = 53.7510(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.4592e-01 1.K13 CB = 34.4580(D), Expected = 32.79, Std = 1.7800, ChiSquare = 3.4872e-01 1.K13 CG = 25.1930(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.8859e-01 1.K13 CD = 29.2010(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.2342e-01 1.K13 CE = 42.5020(D), Expected = 41.89, Std = 0.8200, ChiSquare = 4.5546e-01 1.K13 HA = 5.1860(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.7359e-02 1.K13 HB2 = 1.9400(D), Expected = 1.78, Std = 0.2500, ChiSquare = 5.2217e-01 1.K13 HB3 = 1.7930(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.4438e-01 1.K13 HG2 = 1.5010(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.1437e-01 1.K13 HD2 = 1.7500(D), Expected = 1.61, Std = 0.2200, ChiSquare = 5.2454e-01 1.K13 HE2 = 3.0440(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.1399e-01 1.K13 HE3 = 2.9340(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.0448e-01 1.G14 CA = 45.2700(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5239e-01 1.G14 HA2 = 4.3400(D), Expected = 3.97, Std = 0.3700, ChiSquare = 3.1731e-01 1.G14 HA3 = 4.1510(D), Expected = 3.90, Std = 0.3700, ChiSquare = 4.9753e-01 1.E15 CA = 54.8930(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.4554e-01 1.E15 CB = 34.1830(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.5259e-02 1.E15 CG = 35.7770(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.7961e-01 1.E15 HA = 5.6710(S), Expected = 4.25, Std = 0.4100, ChiSquare = 5.2855e-04 1.E15 HB2 = 2.1260(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.1373e-01 1.E15 HB3 = 1.9710(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.3416e-01 1.E15 HG2 = 2.2140(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.8973e-01 1.T16 CA = 60.8660(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.0113e-01 1.T16 CB = 69.2920(D), Expected = 69.73, Std = 1.6300, ChiSquare = 7.8815e-01 1.T16 CG2 = 18.4760(D), Expected = 21.55, Std = 1.1100, ChiSquare = 5.6165e-03 1.T16 HA = 4.7100(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.0248e-01 1.T16 HB = 3.8020(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.6479e-01 1.T16 HG21 = 0.3400(S), Expected = 1.14, Std = 0.2300, ChiSquare = 5.0468e-04 1.T16 HG22 = 0.3400(S), Expected = 1.14, Std = 0.2300, ChiSquare = 5.0468e-04 1.T16 HG23 = 0.3400(S), Expected = 1.14, Std = 0.2300, ChiSquare = 5.0468e-04 1.T17 CA = 59.4560(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.8589e-01 1.T17 CB = 71.7780(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.0896e-01 1.T17 CG2 = 21.4430(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.2321e-01 1.T17 HA = 5.6300(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.4789e-02 1.T17 HB = 2.5200(S), Expected = 4.17, Std = 0.3300, ChiSquare = 5.7330e-07 1.T17 HG21 = 1.1410(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.9653e-01 1.T17 HG22 = 1.1410(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.9653e-01 1.T17 HG23 = 1.1410(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.9653e-01 1.T18 CA = 61.6940(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.3907e-01 1.T18 CG2 = 18.6570(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.1525e-03 1.T18 HA = 4.6960(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.2295e-01 1.T18 HG21 = 1.0280(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.2629e-01 1.T18 HG22 = 1.0280(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.2629e-01 1.T18 HG23 = 1.0280(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.2629e-01 1.E19 CA = 54.7560(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.1990e-01 1.E19 CB = 31.2470(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.7203e-01 1.E19 CG = 36.5250(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.2728e-01 1.E19 HA = 5.5600(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.3977e-03 1.E19 HB2 = 1.9410(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.0678e-01 1.E19 HG2 = 2.1150(D), Expected = 2.27, Std = 0.2100, ChiSquare = 4.6046e-01 1.A20 CA = 51.1530(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1560e-01 1.A20 CB = 23.6830(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.0663e-02 1.A20 HA = 4.9530(D), Expected = 4.26, Std = 0.4400, ChiSquare = 1.1526e-01 1.A20 HB1 = 1.4510(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.9767e-01 1.A20 HB2 = 1.4510(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.9767e-01 1.A20 HB3 = 1.4510(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.9767e-01 1.V21 CA = 63.6020(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.9742e-01 1.V21 CB = 32.1740(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.5609e-01 1.V21 CG1 = 20.9270(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.7890e-01 1.V21 CG2 = 19.9660(D), Expected = 21.26, Std = 1.5600, ChiSquare = 4.0683e-01 1.V21 HA = 4.1950(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.9312e-01 1.V21 HB = 2.2250(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.4390e-01 1.V21 HG11 = 1.0100(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8874e-01 1.V21 HG12 = 1.0100(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8874e-01 1.V21 HG13 = 1.0100(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8874e-01 1.V21 HG21 = 1.0130(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.4683e-01 1.V21 HG22 = 1.0130(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.4683e-01 1.V21 HG23 = 1.0130(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.4683e-01 1.D22 CA = 52.5550(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.9293e-01 1.D22 CB = 42.4870(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.2121e-01 1.D22 HA = 4.7200(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.8456e-01 1.D22 HB2 = 3.0620(D), Expected = 2.72, Std = 0.2600, ChiSquare = 1.8838e-01 1.A23 CA = 54.8260(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.9448e-01 1.A23 CB = 17.5470(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.2403e-01 1.A23 HA = 4.1900(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.7360e-01 1.A23 HB1 = 1.2220(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.2250e-01 1.A23 HB2 = 1.2220(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.2250e-01 1.A23 HB3 = 1.2220(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.2250e-01 1.A24 CA = 54.9140(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.7027e-01 1.A24 CB = 17.8840(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.3836e-01 1.A24 HA = 4.0010(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.5611e-01 1.A24 HB1 = 1.3300(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.3868e-01 1.A24 HB2 = 1.3300(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.3868e-01 1.A24 HB3 = 1.3300(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.3868e-01 1.T25 CA = 66.6030(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.0593e-02 1.T25 CB = 68.0230(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.9499e-01 1.T25 CG2 = 21.2330(D), Expected = 21.55, Std = 1.1100, ChiSquare = 7.7520e-01 1.T25 HA = 3.7750(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.5356e-01 1.T25 HB = 4.0580(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.3431e-01 1.T25 HG21 = 1.2950(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.0037e-01 1.T25 HG22 = 1.2950(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.0037e-01 1.T25 HG23 = 1.2950(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.0037e-01 1.A26 CA = 54.8630(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.8419e-01 1.A26 CB = 18.1530(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.3957e-01 1.A26 HA = 3.4590(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.8690e-02 1.A26 HB1 = 0.6110(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.4788e-03 1.A26 HB2 = 0.6110(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.4788e-03 1.A26 HB3 = 0.6110(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.4788e-03 1.E27 CA = 59.4370(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1110e-01 1.E27 CB = 29.3060(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.8232e-01 1.E27 CG = 35.6780(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.1659e-01 1.E27 HA = 2.5420(S), Expected = 4.25, Std = 0.4100, ChiSquare = 3.1019e-05 1.E27 HB2 = 1.9540(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.5330e-01 1.E27 HB3 = 1.7870(D), Expected = 1.99, Std = 0.2300, ChiSquare = 3.7745e-01 1.E27 HG2 = 1.5540(S), Expected = 2.27, Std = 0.2100, ChiSquare = 6.5076e-04 1.K28 CA = 59.5220(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.4237e-01 1.K28 CB = 32.4070(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.2964e-01 1.K28 CG = 24.7660(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.1262e-01 1.K28 CD = 29.0230(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.5348e-01 1.K28 CE = 41.8570(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.6790e-01 1.K28 HA = 3.7250(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.1548e-01 1.K28 HB2 = 1.8720(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.1287e-01 1.K28 HG2 = 1.5550(D), Expected = 1.37, Std = 0.2600, ChiSquare = 4.7675e-01 1.K28 HD2 = 1.6420(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.8435e-01 1.K28 HE2 = 2.9430(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.0365e-01 1.V29 CA = 65.9060(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.3232e-01 1.V29 CB = 32.5070(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.0086e-01 1.V29 CG1 = 21.8690(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.8049e-01 1.V29 CG2 = 20.6950(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.1722e-01 1.V29 HA = 3.7040(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.0207e-01 1.V29 HB = 2.0270(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.8323e-01 1.V29 HG11 = 1.0750(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.4604e-01 1.V29 HG12 = 1.0750(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.4604e-01 1.V29 HG13 = 1.0750(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.4604e-01 1.V29 HG21 = 0.9910(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9515e-01 1.V29 HG22 = 0.9910(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9515e-01 1.V29 HG23 = 0.9910(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9515e-01 1.L30 CA = 57.4960(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.7845e-01 1.L30 CB = 40.5060(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.3727e-01 1.L30 CG = 26.3990(D), Expected = 26.78, Std = 1.1000, ChiSquare = 7.2907e-01 1.L30 CD1 = 21.1220(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.3642e-02 1.L30 HA = 4.1640(D), Expected = 4.32, Std = 0.4700, ChiSquare = 7.3995e-01 1.L30 HB2 = 1.5420(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.4148e-01 1.L30 HB3 = 1.4710(D), Expected = 1.52, Std = 0.3600, ChiSquare = 8.9173e-01 1.L30 HG = 1.4700(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.0352e-01 1.L30 HD11 = 0.6120(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2211e-01 1.L30 HD12 = 0.6120(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2211e-01 1.L30 HD13 = 0.6120(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.2211e-01 1.K31 CA = 59.8030(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.9469e-01 1.K31 CB = 31.6530(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.2298e-01 1.K31 CG = 25.5770(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.4321e-01 1.K31 CD = 28.9540(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.9557e-01 1.K31 CE = 41.0190(D), Expected = 41.89, Std = 0.8200, ChiSquare = 2.8815e-01 1.K31 HA = 4.1010(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.0091e-01 1.K31 HB2 = 1.5030(D), Expected = 1.78, Std = 0.2500, ChiSquare = 2.6786e-01 1.K31 HB3 = 1.4060(D), Expected = 1.74, Std = 0.2700, ChiSquare = 2.1607e-01 1.K31 HG2 = 0.5960(D), Expected = 1.37, Std = 0.2600, ChiSquare = 2.9116e-03 1.K31 HG3 = 0.1100(S), Expected = 1.35, Std = 0.2800, ChiSquare = 9.4859e-06 1.K31 HD2 = 0.9890(D), Expected = 1.61, Std = 0.2200, ChiSquare = 4.7617e-03 1.K31 HD3 = 0.9320(D), Expected = 1.60, Std = 0.2200, ChiSquare = 2.3945e-03 1.K31 HE2 = 1.7910(S), Expected = 2.92, Std = 0.1900, ChiSquare = 2.8138e-09 1.K31 HE3 = 1.5950(S), Expected = 2.91, Std = 0.2000, ChiSquare = 4.8653e-11 1.Q32 CA = 58.6970(D), Expected = 56.57, Std = 2.1400, ChiSquare = 3.2026e-01 1.Q32 CB = 27.8620(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.6559e-01 1.Q32 CG = 33.4200(D), Expected = 33.76, Std = 1.1100, ChiSquare = 7.5937e-01 1.Q32 HA = 3.9960(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.3346e-01 1.Q32 HB2 = 2.2270(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.7895e-01 1.Q32 HG2 = 2.4190(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.1387e-01 1.Y33 CA = 61.7310(D), Expected = 58.13, Std = 2.5100, ChiSquare = 1.5138e-01 1.Y33 CB = 37.6820(D), Expected = 39.32, Std = 2.1600, ChiSquare = 4.4825e-01 1.Y33 HA = 4.2250(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.6955e-01 1.Y33 HB2 = 3.3690(D), Expected = 2.91, Std = 0.3700, ChiSquare = 2.1478e-01 1.Y33 HB3 = 3.1500(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.2669e-01 1.Y33 HD1 = 6.9520(D), Expected = 6.93, Std = 0.3000, ChiSquare = 9.4154e-01 1.Y33 HE1 = 6.7100(D), Expected = 6.70, Std = 0.2300, ChiSquare = 9.6532e-01 1.A34 CA = 56.1540(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.2795e-01 1.A34 CB = 17.8560(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.2830e-01 1.A34 HA = 3.8630(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.6691e-01 1.A34 HB1 = 1.8650(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.7617e-02 1.A34 HB2 = 1.8650(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.7617e-02 1.A34 HB3 = 1.8650(D), Expected = 1.35, Std = 0.2600, ChiSquare = 4.7617e-02 1.N35 CA = 56.7340(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.9331e-02 1.N35 CB = 38.6230(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.6838e-01 1.N35 HA = 4.4620(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.6341e-01 1.N35 HB2 = 2.9270(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.0586e-01 1.D36 CA = 56.8100(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.9633e-01 1.D36 CB = 40.0360(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.0238e-01 1.D36 HA = 4.3830(D), Expected = 4.59, Std = 0.3200, ChiSquare = 5.1771e-01 1.D36 HB2 = 2.7220(D), Expected = 2.72, Std = 0.2600, ChiSquare = 9.9386e-01 1.D36 HB3 = 2.5830(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.8332e-01 1.N37 CA = 53.6770(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.4191e-01 1.N37 CB = 39.9850(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.4351e-01 1.N37 HA = 4.6400(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.3359e-01 1.N37 HB2 = 2.7180(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.6664e-01 1.N37 HB3 = 2.1490(D), Expected = 2.75, Std = 0.3300, ChiSquare = 6.8575e-02 1.G38 CA = 46.8470(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.6392e-01 1.G38 HA2 = 3.9310(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.1605e-01 1.I39 CA = 59.2160(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.7171e-01 1.I39 CB = 38.1630(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.1717e-01 1.I39 CG1 = 26.7130(D), Expected = 27.71, Std = 1.6800, ChiSquare = 5.5288e-01 1.I39 CG2 = 17.9770(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.4240e-01 1.I39 CD1 = 12.3150(D), Expected = 13.43, Std = 1.6700, ChiSquare = 5.0435e-01 1.I39 HA = 4.2590(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.8781e-01 1.I39 HB = 1.7660(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.6150e-01 1.I39 HG12 = 1.2410(D), Expected = 1.28, Std = 0.4000, ChiSquare = 9.2233e-01 1.I39 HG21 = 0.6990(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.9258e-01 1.I39 HG22 = 0.6990(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.9258e-01 1.I39 HG23 = 0.6990(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.9258e-01 1.I39 HD11 = 0.7650(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.6944e-01 1.I39 HD12 = 0.7650(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.6944e-01 1.I39 HD13 = 0.7650(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.6944e-01 1.D40 CA = 52.8530(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.6550e-01 1.D40 CB = 43.1030(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.6999e-01 1.D40 HA = 4.9380(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.7682e-01 1.D40 HB2 = 2.7740(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.3547e-01 1.D40 HB3 = 2.5750(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.6145e-01 1.G41 CA = 45.2760(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.5596e-01 1.G41 HA2 = 4.3400(D), Expected = 3.97, Std = 0.3700, ChiSquare = 3.1731e-01 1.G41 HA3 = 3.6550(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.0787e-01 1.E42 CA = 55.5010(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.8412e-01 1.E42 CB = 31.5700(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.6442e-01 1.E42 CG = 35.7100(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.3677e-01 1.E42 HA = 4.7460(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.2637e-01 1.E42 HB2 = 2.0830(D), Expected = 2.02, Std = 0.2100, ChiSquare = 7.6418e-01 1.E42 HB3 = 1.9950(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.8266e-01 1.E42 HG2 = 2.3790(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.0373e-01 1.E42 HG3 = 2.2760(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.0592e-01 1.W43 CA = 57.9670(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.0528e-01 1.W43 CB = 30.4320(D), Expected = 30.01, Std = 2.0100, ChiSquare = 8.3371e-01 1.W43 HA = 5.4090(D), Expected = 4.68, Std = 0.5300, ChiSquare = 1.6898e-01 1.W43 HB2 = 3.3450(D), Expected = 3.19, Std = 0.3500, ChiSquare = 6.5787e-01 1.W43 HB3 = 3.1590(D), Expected = 3.12, Std = 0.3600, ChiSquare = 9.1373e-01 1.W43 HD1 = 7.5220(D), Expected = 7.14, Std = 0.3600, ChiSquare = 2.8864e-01 1.W43 HE3 = 7.5200(D), Expected = 7.31, Std = 0.4100, ChiSquare = 6.0851e-01 1.W43 HZ2 = 7.2480(D), Expected = 7.28, Std = 0.3300, ChiSquare = 9.2275e-01 1.W43 HZ3 = 6.4950(D), Expected = 6.86, Std = 0.4000, ChiSquare = 3.6151e-01 1.W43 HH2 = 6.7000(D), Expected = 6.98, Std = 0.3900, ChiSquare = 4.7279e-01 1.T44 CA = 60.3830(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.7816e-01 1.T44 CB = 72.2450(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.2284e-01 1.T44 CG2 = 22.0000(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.8518e-01 1.T44 HA = 4.8400(D), Expected = 4.46, Std = 0.4800, ChiSquare = 4.2856e-01 1.T44 HB = 4.2690(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.6418e-01 1.T44 HG21 = 1.2230(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.1820e-01 1.T44 HG22 = 1.2230(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.1820e-01 1.T44 HG23 = 1.2230(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.1820e-01 1.Y45 CA = 56.7830(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.9151e-01 1.Y45 CB = 41.6620(D), Expected = 39.32, Std = 2.1600, ChiSquare = 2.7825e-01 1.Y45 HA = 4.9890(D), Expected = 4.63, Std = 0.5600, ChiSquare = 5.2148e-01 1.Y45 HB2 = 2.9710(D), Expected = 2.91, Std = 0.3700, ChiSquare = 8.6905e-01 1.Y45 HB3 = 2.5430(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.4634e-01 1.Y45 HD1 = 7.5720(D), Expected = 6.93, Std = 0.3000, ChiSquare = 3.2355e-02 1.Y45 HE1 = 6.3420(D), Expected = 6.70, Std = 0.2300, ChiSquare = 1.1958e-01 1.D46 CA = 51.7830(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.5214e-01 1.D46 CB = 42.9880(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.9318e-01 1.D46 HA = 4.5890(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.9751e-01 1.D46 HB2 = 2.5870(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.0897e-01 1.D46 HB3 = 2.2680(D), Expected = 2.66, Std = 0.2800, ChiSquare = 1.6151e-01 1.D47 CA = 56.2130(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.5311e-01 1.D47 CB = 42.0250(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.7970e-01 1.D47 HA = 4.0870(D), Expected = 4.59, Std = 0.3200, ChiSquare = 1.1598e-01 1.D47 HB2 = 2.7960(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.7005e-01 1.D47 HB3 = 2.5150(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.0456e-01 1.A48 CA = 54.9770(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.5352e-01 1.A48 CB = 18.2640(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.8353e-01 1.A48 HA = 4.0940(D), Expected = 4.26, Std = 0.4400, ChiSquare = 7.0597e-01 1.A48 HB1 = 1.5090(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4084e-01 1.A48 HB2 = 1.5090(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4084e-01 1.A48 HB3 = 1.5090(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.4084e-01 1.T49 CA = 60.3120(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.6132e-01 1.T49 CB = 70.0670(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.3621e-01 1.T49 CG2 = 21.1200(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.9847e-01 1.T49 HA = 4.3900(D), Expected = 4.46, Std = 0.4800, ChiSquare = 8.8405e-01 1.T49 HB = 4.4070(D), Expected = 4.17, Std = 0.3300, ChiSquare = 4.7265e-01 1.T49 HG21 = 1.0750(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.7748e-01 1.T49 HG22 = 1.0750(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.7748e-01 1.T49 HG23 = 1.0750(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.7748e-01 1.K50 CA = 56.6520(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.9225e-01 1.K50 CB = 29.3950(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.6481e-02 1.K50 CG = 24.4910(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.2402e-01 1.K50 CD = 28.1200(D), Expected = 28.96, Std = 1.0800, ChiSquare = 4.3670e-01 1.K50 CE = 42.4860(D), Expected = 41.89, Std = 0.8200, ChiSquare = 4.6733e-01 1.K50 HA = 4.0910(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.8414e-01 1.K50 HB2 = 1.8990(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.3407e-01 1.K50 HB3 = 1.7300(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.7046e-01 1.K50 HG2 = 1.2570(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.6384e-01 1.K50 HG3 = 1.1670(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.1339e-01 1.K50 HD2 = 1.4400(D), Expected = 1.61, Std = 0.2200, ChiSquare = 4.3968e-01 1.K50 HE2 = 3.0160(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.1337e-01 1.K50 HE3 = 2.9400(D), Expected = 2.91, Std = 0.2000, ChiSquare = 8.8076e-01 1.T51 CA = 62.2030(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.9476e-01 1.T51 CB = 72.0320(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.5787e-01 1.T51 CG2 = 21.0340(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.4203e-01 1.T51 HA = 5.3590(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.1080e-02 1.T51 HB = 3.7800(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.3728e-01 1.T51 HG21 = 1.0460(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.8276e-01 1.T51 HG22 = 1.0460(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.8276e-01 1.T51 HG23 = 1.0460(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.8276e-01 1.F52 CA = 57.2430(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.4467e-01 1.F52 CB = 42.6130(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.0947e-01 1.F52 HA = 5.6740(D), Expected = 4.63, Std = 0.5700, ChiSquare = 6.7014e-02 1.F52 HB2 = 3.2880(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.3635e-01 1.F52 HD1 = 7.5720(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.8613e-02 1.F52 HE1 = 7.0210(D), Expected = 7.08, Std = 0.3100, ChiSquare = 8.4906e-01 1.F52 HZ = 6.9240(D), Expected = 7.00, Std = 0.4200, ChiSquare = 8.5641e-01 1.T53 CA = 61.6990(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4057e-01 1.T53 CB = 70.9030(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.7175e-01 1.T53 CG2 = 20.6250(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.0466e-01 1.T53 HA = 5.2510(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.9370e-02 1.T53 HB = 3.8340(D), Expected = 4.17, Std = 0.3300, ChiSquare = 3.0859e-01 1.T53 HG21 = 0.9890(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.1149e-01 1.T53 HG22 = 0.9890(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.1149e-01 1.T53 HG23 = 0.9890(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.1149e-01 1.V54 CA = 57.5730(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.5572e-02 1.V54 CB = 32.7030(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.8797e-01 1.V54 CG1 = 21.5040(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.9179e-01 1.V54 CG2 = 20.5260(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.3799e-01 1.V54 HA = 4.6180(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.6056e-01 1.V54 HB = -0.1850(S), Expected = 1.98, Std = 0.3200, ChiSquare = 1.3273e-11 1.V54 HG11 = -0.0700(S), Expected = 0.83, Std = 0.2600, ChiSquare = 5.3710e-04 1.V54 HG12 = -0.0700(S), Expected = 0.83, Std = 0.2600, ChiSquare = 5.3710e-04 1.V54 HG13 = -0.0700(S), Expected = 0.83, Std = 0.2600, ChiSquare = 5.3710e-04 1.V54 HG21 = 0.5520(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.7577e-01 1.V54 HG22 = 0.5520(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.7577e-01 1.V54 HG23 = 0.5520(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.7577e-01 1.T55 CA = 61.7860(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.6692e-01 1.T55 CB = 70.6710(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.6374e-01 1.T55 CG2 = 21.2330(D), Expected = 21.55, Std = 1.1100, ChiSquare = 7.7520e-01 1.T55 HA = 4.8030(D), Expected = 4.46, Std = 0.4800, ChiSquare = 4.7487e-01 1.T55 HB = 3.8990(D), Expected = 4.17, Std = 0.3300, ChiSquare = 4.1153e-01 1.T55 HG21 = 1.2890(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.1710e-01 1.T55 HG22 = 1.2890(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.1710e-01 1.T55 HG23 = 1.2890(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.1710e-01 1.E56 CA = 58.3300(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.2892e-01 1.E56 CB = 32.6910(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.1906e-01 1.E56 CG = 37.5050(D), Expected = 36.11, Std = 1.1900, ChiSquare = 2.4109e-01 1.E56 HA = 4.2970(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.0874e-01 1.E56 HB2 = 2.2010(D), Expected = 2.02, Std = 0.2100, ChiSquare = 3.8874e-01 1.E56 HB3 = 2.0010(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.6186e-01 1.E56 HG2 = 2.3380(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.4608e-01 1.E56 N = 133.7280(S), Expected = 120.67, Std = 3.4800, ChiSquare = 1.7522e-04