Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.F7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> Q 0.29 M 0.27 C 0.24 K 0.11 E 0.06 C Shift Assignments>> C :: 174.681 CA :: 55.450(D) CB :: 33.800(D) CG :: 30.790(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> HA :: 4.353(D) HB2 :: 1.833(D) HB3 :: 2.037 HG2 :: 2.239(D) HG3 :: 2.393 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.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.36 C Shift Assignments>> CA :: 61.900 CB :: 32.520 CG1 :: 20.720 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 :: 7.974 HA :: 3.993 HB :: 1.963 HG11 :: 0.841 HG12 :: 0.841 HG13 :: 0.841 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.118 Ave N Shift Values>> N :: 121.14(4.54) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.03 C 0.02 L 0.01 HN Overlap>> 2.V30 2.V30 C Shift Assignments>> CA :: 51.600 CB :: 20.010 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.962 HA :: 4.301 HB1 :: 1.091 HB2 :: 1.091 HB3 :: 1.091 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.064 Ave N Shift Values>> N :: 123.23(3.54) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 G 0.29 C 0.13 A 0.01 HN Overlap>> 2.V126 2.E63 2.Y5 2.V126 2.E63 2.Y5 C Shift Assignments>> CA :: 53.353 CB :: 44.307 CG :: 26.640 CD1 :: 24.510 CD2 :: 24.020 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 :: 8.695 HA :: 4.686 HB2 :: 1.505 HB3 :: 1.270 HG :: 1.510 HD11 :: 0.664 HD12 :: 0.664 HD13 :: 0.664 HD21 :: 0.707 HD22 :: 0.707 HD23 :: 0.707 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.194 Ave N Shift Values>> N :: 121.86(3.9) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.815 CB :: 62.724 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.649 HA :: 4.877 HB2 :: 3.573 HB3 :: 3.508 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.239 Ave N Shift Values>> N :: 116.28(3.52) 1.L13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.28 G 0.25 C 0.24 L 0.18 R 0.02 C Shift Assignments>> C :: 175.490 CA :: 52.240(D) CB :: 43.300(D) CG :: 24.644(D) CD1 :: 26.990(D) CD2 :: 22.510(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 :: 9.301(D) HA :: 5.049(D) HB2 :: 1.740(D) HB3 :: 0.986(D) HG :: 1.582(D) HD11 :: 0.854(D) HD12 :: 0.854(D) HD13 :: 0.854(D) HD21 :: 0.563(D) HD22 :: 0.563(D) HD23 :: 0.563(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 :: 125.260(D) Ave N Shift Values>> N :: 121.86(3.9) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.34 R 0.14 C Shift Assignments>> CA :: 55.399 CB :: 32.618 CG :: 25.172 CD :: 28.983 CE :: 42.140 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 :: 8.626 HA :: 4.470 HB2 :: 1.817 HB3 :: 1.331 HG2 :: 1.199 HG3 :: 1.144 HD2 :: 1.418 HE2 :: 2.759 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.983 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.26 A 0.06 C Shift Assignments>> CA :: 57.177 CB :: 36.791 CG1 :: 26.820 CG2 :: 17.105 CD1 :: 10.918 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 :: 8.976 HA :: 4.911 HB :: 2.078 HG12 :: 1.637 HG13 :: 1.408 HG21 :: 0.736 HG22 :: 0.736 HG23 :: 0.736 HD11 :: 0.711 HD12 :: 0.711 HD13 :: 0.711 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 :: 124.223 Ave N Shift Values>> N :: 121.46(4.28) 1.S16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 55.868 CB :: 64.218 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 5.295 HB2 :: 3.655 HB3 :: 3.557 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.I17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 HN Overlap>> 1.K22 1.K22 C Shift Assignments>> CA :: 60.037 CB :: 39.264 CG1 :: 27.748 CG2 :: 18.170 CD1 :: 15.110 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 :: 8.922 HA :: 4.622 HB :: 1.805 HG12 :: 1.545 HG13 :: 1.076 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 HD11 :: 0.638 HD12 :: 0.638 HD13 :: 0.638 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 :: 127.201 Ave N Shift Values>> N :: 121.46(4.28) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> CA :: 47.460 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.059 HA2 :: 3.943 HA3 :: 3.627 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.099 Ave N Shift Values>> N :: 109.67(3.87) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.57 D 0.11 C 0.11 Y 0.06 F 0.06 L 0.02 E 0.01 M 0.01 C Shift Assignments>> CA :: 53.044 CB :: 38.229 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 :: 8.760 HA :: 4.651 HB2 :: 2.898 HB3 :: 2.876 HD21 :: 7.516 HD22 :: 6.800 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 124.697 ND2 :: 111.834 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.59 C 0.4 C Shift Assignments>> CA :: 61.350 CB :: 33.440 CG1 :: 20.703 CG2 :: 20.620 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> HA :: 4.249 HB :: 2.179 HG11 :: 0.842 HG12 :: 0.842 HG13 :: 0.842 HG21 :: 1.094 HG22 :: 1.094 HG23 :: 1.094 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.V21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.63 V 0.36 C Shift Assignments>> C :: 173.935 CA :: 63.020(D) CB :: 31.790(D) CG1 :: 21.680(D) CG2 :: 17.600(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 :: 7.508(D) HA :: 3.833(D) HB :: 1.910(D) HG11 :: 1.025(D) HG12 :: 1.025(D) HG13 :: 1.025(D) HG21 :: 0.928(D) HG22 :: 0.928(D) HG23 :: 0.928(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.000(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.43 R 0.03 A 0.01 G 0.01 HN Overlap>> 1.I17 1.I17 C Shift Assignments>> CA :: 53.353 CB :: 35.713 CG :: 24.451 CD :: 28.408 CE :: 41.822 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 :: 8.932 HA :: 4.680 HB2 :: 1.654 HB3 :: 1.395 HG2 :: 1.403 HG3 :: 1.266 HD2 :: 1.580 HD3 :: 1.670 HE2 :: 2.871 HE3 :: 2.746 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 :: 127.201 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.91 C 0.08 C Shift Assignments>> CA :: 62.389 CB :: 68.420 CG2 :: 21.320 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>> HA :: 4.958 HB :: 3.859 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 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.M24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.29 A 0.23 C Shift Assignments>> CA :: 54.740 CB :: 37.405 CG :: 32.033 CE :: 16.500 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 :: 9.188 HA :: 4.374 HB2 :: 1.432 HG2 :: 2.141 HG3 :: 2.076 HE1 :: 1.656 HE2 :: 1.656 HE3 :: 1.656 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 :: 127.166 Ave N Shift Values>> N :: 120.09(3.57) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.33 Q 0.26 C 0.24 E 0.09 K 0.06 C Shift Assignments>> CA :: 53.962 CB :: 30.920 CG :: 34.282 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.870 HA :: 5.229 HB2 :: 1.638 HB3 :: 1.506 HG2 :: 2.001 HE21 :: 7.193 HE22 :: 6.685 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.661 NE2 :: 111.298 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.31 G 0.09 D 0.08 F 0.05 C 0.05 Y 0.03 K 0.03 C Shift Assignments>> CA :: 55.585 CB :: 43.687 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 :: 8.833 HA :: 4.809 HB2 :: 2.899 HB3 :: 2.242 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.989 Ave N Shift Values>> N :: 120.45(4.18) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 K 0.12 Q 0.07 I 0.03 M 0.01 C Shift Assignments>> CA :: 55.108 CB :: 28.630 CG :: 36.368 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 :: 9.107 HA :: 4.648 HB2 :: 2.070 HB3 :: 1.850 HG2 :: 2.269 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 :: 123.583 Ave N Shift Values>> N :: 120.67(3.48) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.12 C Shift Assignments>> CA :: 65.730 CB :: 31.336 CG :: 27.633 CD :: 50.764 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 :: 4.047 HB2 :: 2.336 HB3 :: 2.084 HG2 :: 2.099 HG3 :: 1.896 HD2 :: 3.869 HD3 :: 3.816 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.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.492 CB :: 62.876 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.363 HA :: 4.278 HB2 :: 3.758 HB3 :: 3.993 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 105.689 Ave N Shift Values>> N :: 116.28(3.52) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 HN Overlap>> 2.F79 2.F79 C Shift Assignments>> CA :: 64.213 CB :: 69.826 CG2 :: 21.332 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 :: 7.687 HA :: 3.849 HB :: 3.883 HG21 :: 1.328 HG22 :: 1.328 HG23 :: 1.328 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.373 Ave N Shift Values>> N :: 115.42(4.75) 1.M31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 A 0.41 C 0.16 HN Overlap>> 2.V115 2.V115 C Shift Assignments>> CA :: 51.514 CB :: 31.628 CG :: 31.877 CE :: 16.648 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 :: 9.114 HA :: 4.680 HB2 :: 1.685 HG2 :: 2.685 HG3 :: 2.566 HE1 :: 1.982 HE2 :: 1.982 HE3 :: 1.982 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 :: 125.912 Ave N Shift Values>> N :: 120.09(3.57) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 HN Overlap>> 2.L10 2.L10 C Shift Assignments>> CA :: 67.709 CB :: 30.536 CG1 :: 21.395 CG2 :: 24.555 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.456 HA :: 3.237 HB :: 2.694 HG11 :: 0.705 HG12 :: 0.705 HG13 :: 0.705 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 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 :: 127.640 Ave N Shift Values>> N :: 121.14(4.54) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 C 0.21 Y 0.19 F 0.14 E 0.03 C Shift Assignments>> CA :: 60.835 CB :: 37.883 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 :: 8.661 HA :: 4.333 HB2 :: 3.144 HB3 :: 2.768 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 :: 116.362 Ave N Shift Values>> N :: 120.52(4.2) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 L 0.17 Y 0.17 D 0.16 K 0.11 C 0.08 N 0.02 I 0.02 C Shift Assignments>> CA :: 56.657 CB :: 40.852 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 :: 6.674 HA :: 4.618 HB2 :: 2.558 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.051 Ave N Shift Values>> N :: 120.65(3.86) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.73 A 0.21 I 0.03 C 0.01 C Shift Assignments>> CA :: 55.190 CB :: 16.673 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.563 HA :: 4.184 HB1 :: 0.962 HB2 :: 0.962 HB3 :: 0.962 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.532 Ave N Shift Values>> N :: 123.23(3.54) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 I 0.36 C 0.09 C Shift Assignments>> CA :: 64.476 CB :: 26.547 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.221 HA :: 3.879 HB2 :: 3.156 HB3 :: 2.946 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 113.527 Ave N Shift Values>> N :: 120.17(4.64) 1.R37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.33 K 0.15 L 0.03 G 0.03 C Shift Assignments>> CA :: 59.682 CB :: 28.911 CG :: 26.664 CD :: 42.802 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 :: 7.149 HA :: 3.793 HB2 :: 2.065 HB3 :: 1.838 HG2 :: 1.623 HG3 :: 1.442 HD2 :: 3.182 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.100 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.M38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.31 Q 0.12 E 0.03 C Shift Assignments>> CA :: 59.064 CB :: 33.453 CG :: 32.186 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 :: 8.258 HA :: 3.814 HB2 :: 2.329 HB3 :: 1.990 HG2 :: 2.722 HG3 :: 2.522 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.406 Ave N Shift Values>> N :: 120.09(3.57) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> CA :: 65.848 CB :: 37.720 CG1 :: 30.143 CG2 :: 15.679 CD1 :: 15.965 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 :: 8.048 HA :: 3.171 HB :: 1.466 HG12 :: 1.943 HG13 :: 0.950 HG21 :: 0.655 HG22 :: 0.655 HG23 :: 0.655 HD11 :: 0.055 HD12 :: 0.055 HD13 :: 0.055 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.177 Ave N Shift Values>> N :: 121.46(4.28) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.35 K 0.07 G 0.07 C Shift Assignments>> CA :: 59.044 CB :: 29.580 CG :: 28.587 CD :: 43.290 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 :: 7.522 HA :: 3.505 HB2 :: 1.724 HG2 :: 1.180 HD2 :: 3.000 HD3 :: 3.237 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.296 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 K 0.07 I 0.06 M 0.05 Q 0.05 C Shift Assignments>> CA :: 57.490 CB :: 29.863 CG :: 36.346 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 :: 7.577 HA :: 3.921 HB2 :: 2.022 HB3 :: 1.942 HG2 :: 2.391 HG3 :: 2.148 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.147 Ave N Shift Values>> N :: 120.67(3.48) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.36 K 0.12 G 0.03 C Shift Assignments>> CA :: 55.690 CB :: 31.725 CG :: 26.872 CD :: 42.930 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 :: 7.480 HA :: 4.241 HB2 :: 1.883 HB3 :: 1.685 HG2 :: 1.601 HD2 :: 2.975 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.443 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.71 C 0.28 C Shift Assignments>> CA :: 61.840(D) CB :: 38.150(D) CG1 :: 27.200(D) CG2 :: 17.070(D) CD1 :: 12.450(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 :: 6.777(D) HA :: 3.959(D) HB :: 1.655(D) HG12 :: 1.261(D) HG13 :: 0.939(D) HG21 :: 0.779(D) HG22 :: 0.779(D) HG23 :: 0.779(D) HD11 :: 0.604(D) HD12 :: 0.604(D) HD13 :: 0.604(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.251(D) Ave N Shift Values>> N :: 121.46(4.28) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> CA :: 64.721 CB :: 31.660 CG :: 27.120 CD :: 50.472 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.166 HB2 :: 1.734 HB3 :: 2.142 HG2 :: 2.026 HG3 :: 1.906 HD2 :: 3.737 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.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.37 I 0.36 E 0.21 K 0.02 C Shift Assignments>> CA :: 59.340 CB :: 28.233 CG :: 37.159 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>> HA :: 3.896 HB2 :: 1.919 HB3 :: 1.795 HG2 :: 2.404 HG3 :: 2.234 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) 1.A46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.01 C Shift Assignments>> CA :: 52.820 CB :: 19.190 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.988 HA :: 4.018 HB1 :: 1.123 HB2 :: 1.123 HB3 :: 1.123 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.729 Ave N Shift Values>> N :: 123.23(3.54) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.7 C 0.22 A 0.06 C Shift Assignments>> CA :: 54.267 CB :: 40.616 CG :: 26.406 CD1 :: 24.882 CD2 :: 22.928 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 :: 7.432 HA :: 4.210 HB2 :: 1.722 HB3 :: 1.508 HG :: 1.604 HD11 :: 0.760 HD12 :: 0.760 HD13 :: 0.760 HD21 :: 0.704 HD22 :: 0.704 HD23 :: 0.704 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.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 C Shift Assignments>> CA :: 52.485 CB :: 19.105 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.450 HA :: 4.146 HB1 :: 1.275 HB2 :: 1.275 HB3 :: 1.275 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.777 Ave N Shift Values>> N :: 123.23(3.54) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.28 R 0.22 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> CA :: 44.150 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.629 HA2 :: 4.202 HA3 :: 4.012 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.843 Ave N Shift Values>> N :: 109.67(3.87) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.93 C 0.03 R 0.02 C Shift Assignments>> CB :: 31.230 CG :: 27.317 CD :: 49.656 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>> HB2 :: 2.293 HB3 :: 1.920 HG2 :: 2.005 HD2 :: 3.676 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.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> CA :: 65.115 CB :: 31.600 CG :: 27.163 CD :: 50.161 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 :: 4.216 HB2 :: 1.989 HB3 :: 2.124 HG2 :: 1.903 HG3 :: 2.064 HD2 :: 3.792 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.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 C 0.14 D 0.05 Y 0.03 F 0.03 M 0.02 E 0.02 C Shift Assignments>> CA :: 51.830 CB :: 37.438 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 :: 8.524 HA :: 4.620 HB2 :: 2.733 HD21 :: 7.560 HD22 :: 6.872 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 :: 112.601 ND2 :: 113.504 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 F 0.11 Y 0.08 K 0.08 C 0.06 HN Overlap>> 2.N167 2.N167 C Shift Assignments>> CA :: 54.535 CB :: 40.920 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 :: 7.845 HA :: 4.472 HB2 :: 2.561 HB3 :: 2.372 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.125 Ave N Shift Values>> N :: 120.65(3.86) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 L 0.24 K 0.16 F 0.1 D 0.09 Y 0.06 C 0.05 G 0.01 C Shift Assignments>> CA :: 56.605 CB :: 42.738 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 :: 7.426 HA :: 4.813 HB2 :: 2.523 HB3 :: 1.799 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.784 Ave N Shift Values>> N :: 120.45(4.18) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.450 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.606 HA2 :: 4.449 HA3 :: 3.875 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.063 Ave N Shift Values>> N :: 109.67(3.87) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 G 0.3 C 0.14 A 0.05 C Shift Assignments>> CA :: 53.390 CB :: 44.389 CG :: 26.840 CD1 :: 24.782 CD2 :: 23.005 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 :: 8.979 HA :: 5.377 HB2 :: 1.460 HB3 :: 1.277 HG :: 1.732 HD11 :: 0.705 HD12 :: 0.705 HD13 :: 0.705 HD21 :: 0.819 HD22 :: 0.819 HD23 :: 0.819 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.359 Ave N Shift Values>> N :: 121.86(3.9) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.25 D 0.13 K 0.11 F 0.06 C 0.04 Y 0.04 G 0.02 C Shift Assignments>> CA :: 55.329 CB :: 42.913 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 :: 9.084 HA :: 4.672 HB2 :: 2.174 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.902 Ave N Shift Values>> N :: 120.45(4.18) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.15 G 0.08 A 0.02 R 0.01 C Shift Assignments>> CA :: 53.220 CB :: 43.145 CG :: 26.280 CD1 :: 23.998 CD2 :: 24.771 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 :: 8.370 HA :: 4.404 HB2 :: 1.435 HB3 :: 0.958 HG :: 1.266 HD11 :: 0.730 HD12 :: 0.730 HD13 :: 0.730 HD21 :: 0.723 HD22 :: 0.723 HD23 :: 0.723 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 :: 129.754 Ave N Shift Values>> N :: 121.86(3.9) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.707 CB :: 64.136 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.108 HA :: 3.991 HB2 :: 3.654 HB3 :: 3.551 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.281 Ave N Shift Values>> N :: 116.28(3.52) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.19 R 0.04 D 0.04 C 0.03 C Shift Assignments>> CA :: 52.787 CB :: 44.717 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 :: 8.119 HA :: 4.564 HB2 :: 2.580 HB3 :: 2.175 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.692 Ave N Shift Values>> N :: 120.65(3.86) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 D 0.16 L 0.15 C 0.1 K 0.07 N 0.03 I 0.03 HN Overlap>> 2.V13 2.V13 C Shift Assignments>> CA :: 56.720 CB :: 40.557 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 :: 8.279 HA :: 4.162 HB2 :: 2.518 HB3 :: 2.440 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.318 Ave N Shift Values>> N :: 120.65(3.86) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.3 L 0.14 C 0.08 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> CA :: 50.186 CB :: 41.190 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 :: 8.847 HA :: 4.864 HB2 :: 2.431 HB3 :: 2.787 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.215 Ave N Shift Values>> N :: 120.65(3.86) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 64.094 CB :: 31.980 CG :: 26.886 CD :: 50.902 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 :: 4.370 HB2 :: 2.328 HB3 :: 1.965 HG2 :: 1.978 HD2 :: 3.935 HD3 :: 3.877 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.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.12 C Shift Assignments>> CA :: 56.931 CB :: 31.712 CG :: 24.940 CD :: 28.474 CE :: 41.474 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 :: 8.330 HA :: 4.175 HB2 :: 1.797 HB3 :: 1.753 HG2 :: 1.375 HD2 :: 1.619 HE2 :: 2.917 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 :: 116.763 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.36 R 0.09 C Shift Assignments>> CA :: 55.236 CB :: 33.095 CG :: 25.191 CD :: 28.701 CE :: 41.721 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 :: 7.989 HA :: 4.418 HB2 :: 1.866 HB3 :: 1.680 HG2 :: 1.242 HG3 :: 1.157 HD2 :: 1.584 HE2 :: 2.881 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.243 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.618 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.567 HA2 :: 3.687 HA3 :: 3.671 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.432 Ave N Shift Values>> N :: 109.67(3.87) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.37 G 0.03 C Shift Assignments>> CA :: 59.065 CB :: 42.433 CG1 :: 25.949 CG2 :: 17.501 CD1 :: 13.663 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 :: 7.273 HA :: 4.400 HB :: 1.526 HG12 :: 1.282 HG13 :: 0.866 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 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 :: 117.832 Ave N Shift Values>> N :: 121.46(4.28) 1.W68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.14 W 0.12 C 0.11 E 0.11 R 0.1 M 0.03 L 0.02 I 0.01 C Shift Assignments>> CA :: 55.739 CB :: 28.892 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 :: 8.517 HA :: 4.892 HB2 :: 3.086 HB3 :: 2.980 HE1 :: 10.037 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 :: 124.165 NE1 :: 129.912 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.38 A 0.07 C Shift Assignments>> CA :: 55.800 CB :: 40.597 CG :: 27.570 CD1 :: 24.919 CD2 :: 22.061 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.649 HA :: 3.812 HB2 :: 1.371 HB3 :: 1.129 HG :: 0.587 HD11 :: 0.359 HD12 :: 0.359 HD13 :: 0.359 HD21 :: -0.180 HD22 :: -0.180 HD23 :: -0.180 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.848 Ave N Shift Values>> N :: 121.86(3.9) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.37 M 0.12 K 0.03 Q 0.02 I 0.02 C Shift Assignments>> CA :: 56.279 CB :: 30.619 CG :: 36.656 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 :: 8.425 HA :: 4.160 HB2 :: 2.010 HB3 :: 1.864 HG2 :: 2.339 HG3 :: 2.225 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 :: 123.941 Ave N Shift Values>> N :: 120.67(3.48) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.3 C 0.04 I 0.01 L 0.01 V 0.01 C Shift Assignments>> CA :: 54.965 CB :: 19.253 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.366 HA :: 3.876 HB1 :: 1.481 HB2 :: 1.481 HB3 :: 1.481 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.841 Ave N Shift Values>> N :: 123.23(3.54) 1.G72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.987 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.170 HA2 :: 4.301 HA3 :: 3.541 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 130.826(S) Ave N Shift Values>> N :: 109.67(3.87) 1.K73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.47 C 0.42 R 0.06 G 0.01 A 0.01 C Shift Assignments>> CA :: 53.006 CB :: 34.935 CG :: 24.670 CD :: 27.637 CE :: 41.966 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 :: 7.435 HA :: 4.358 HB2 :: 2.038 HB3 :: 1.496 HG2 :: 0.927 HD2 :: 0.826(S) HD3 :: 0.440(S) HE2 :: 2.201(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 :: 119.942 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.02 L 0.01 M 0.01 HN Overlap>> 1.D84 1.D84 2.L54 2.L54 C Shift Assignments>> CA :: 50.459 CB :: 20.377 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.104 HA :: 4.860 HB1 :: 1.344 HB2 :: 1.344 HB3 :: 1.344 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.897 Ave N Shift Values>> N :: 123.23(3.54) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.35 A 0.01 C Shift Assignments>> CA :: 58.423 CB :: 40.710 CG :: 25.906 CD1 :: 25.818 CD2 :: 21.430 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 :: 8.328 HA :: 3.870 HB2 :: 1.912 HB3 :: 1.030 HG :: 1.607 HD11 :: 0.286 HD12 :: 0.286 HD13 :: 0.286 HD21 :: 0.244 HD22 :: 0.244 HD23 :: 0.244 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.619 Ave N Shift Values>> N :: 121.86(3.9) 1.D76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.29 F 0.28 C 0.14 I 0.08 D 0.08 L 0.06 N 0.03 C Shift Assignments>> C :: 178.164 CA :: 57.470(D) CB :: 39.450(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 :: 8.062(D) HA :: 4.085(D) HB2 :: 2.549(D) HB3 :: 2.457(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.200(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 Y 0.23 F 0.19 C 0.19 E 0.01 C Shift Assignments>> CA :: 60.378 CB :: 38.464 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 :: 7.869 HA :: 3.892 HB2 :: 3.078 HB3 :: 2.772 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.157 Ave N Shift Values>> N :: 120.52(4.2) 1.Y78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.27 E 0.22 Y 0.17 I 0.14 F 0.1 M 0.03 K 0.01 V 0.01 C Shift Assignments>> C :: 179.620 CA :: 58.920(D) CB :: 36.800(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 :: 7.793(D) HA :: 4.446(D) HB2 :: 3.155(D) HB3 :: 2.878(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 :: 116.770(D) Ave N Shift Values>> N :: 120.52(4.2) 1.M79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.73 M 0.24 C Shift Assignments>> C :: 176.509 CA :: 59.130(D) CB :: 32.020(D) CG :: 34.030(D) CE :: 17.191 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 :: 8.266(D) HA :: 4.383(D) HB2 :: 2.054(D) HB3 :: 2.012 HG2 :: 2.159(D) HG3 :: 2.231 HE1 :: 2.046 HE2 :: 2.046 HE3 :: 2.046 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.649(D) Ave N Shift Values>> N :: 120.09(3.57) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.22 R 0.19 G 0.07 A 0.04 C Shift Assignments>> CA :: 54.411 CB :: 43.220 CG :: 26.990 CD1 :: 27.059 CD2 :: 23.180 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.744 HA :: 4.189 HB2 :: 1.466 HB3 :: 1.282 HG :: 1.506 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 HD21 :: 0.815 HD22 :: 0.815 HD23 :: 0.815 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.816 Ave N Shift Values>> N :: 121.86(3.9) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.34 K 0.15 G 0.09 C Shift Assignments>> CA :: 53.225 CB :: 32.953 CG :: 26.460 CD :: 43.083 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 :: 8.870 HA :: 4.403 HB2 :: 1.669 HB3 :: 1.582 HG2 :: 1.564 HG3 :: 1.524 HD2 :: 3.132 HD3 :: 3.066 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.728 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.15 Y 0.11 F 0.09 D 0.09 E 0.05 M 0.03 L 0.02 I 0.01 C Shift Assignments>> CA :: 54.198 CB :: 37.923 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 :: 8.343 HA :: 4.725 HB2 :: 2.667 HB3 :: 2.590 HD21 :: 7.526 HD22 :: 7.064 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.346 ND2 :: 112.891 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.23 R 0.11 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.544 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.264 HA2 :: 4.215 HA3 :: 3.484 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.216 Ave N Shift Values>> N :: 109.67(3.87) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.17 F 0.16 Y 0.14 N 0.09 C 0.08 K 0.05 I 0.01 HN Overlap>> 1.A74 2.L54 1.A74 2.L54 C Shift Assignments>> CA :: 55.469 CB :: 40.480 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 :: 8.031 HA :: 4.538 HB2 :: 2.642 HB3 :: 2.434 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 :: 121.943 Ave N Shift Values>> N :: 120.65(3.86) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 60.946 CB :: 70.358 CG2 :: 20.697 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 :: 8.093 HA :: 5.335 HB :: 3.840 HG21 :: 0.982 HG22 :: 0.982 HG23 :: 0.982 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.940 Ave N Shift Values>> N :: 115.42(4.75) 1.M86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 C 0.27 M 0.21 HN Overlap>> 2.Y41 2.Y41 C Shift Assignments>> CA :: 53.656 CB :: 36.960 CG :: 31.157 CE :: 17.505 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 :: 8.987 HA :: 4.866 HB2 :: 1.752 HB3 :: 1.693 HG2 :: 2.116 HE1 :: 1.453 HE2 :: 1.453 HE3 :: 1.453 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 :: 122.892 Ave N Shift Values>> N :: 120.09(3.57) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.34 E 0.21 Q 0.05 C Shift Assignments>> CA :: 54.217 CB :: 32.043 CG :: 35.772 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 :: 9.116 HA :: 5.116 HB2 :: 1.962 HG2 :: 2.024 HG3 :: 2.359 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.473 Ave N Shift Values>> N :: 120.67(3.48) 1.Y88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.28 F 0.24 C 0.18 I 0.07 D 0.06 N 0.05 L 0.03 E 0.03 M 0.01 C Shift Assignments>> CA :: 57.070 CB :: 38.600 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 :: 8.540 HA :: 5.372 HB2 :: 3.065 HB3 :: 2.411 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 :: 127.278 Ave N Shift Values>> N :: 120.52(4.2) 1.R89 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 K 0.25 R 0.19 G 0.09 C Shift Assignments>> CA :: 54.497 CB :: 34.187 CG :: 25.904 CD :: 43.170 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 :: 8.639 HA :: 4.649 HB2 :: 1.694 HB3 :: 1.456 HG2 :: 1.439 HG3 :: 1.389 HD2 :: 2.388 HD3 :: 2.234(S) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.639 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 R 0.13 C Shift Assignments>> CA :: 56.329 CB :: 32.323 CG :: 24.827 CD :: 24.634(S) CE :: 41.843 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 :: 8.279 HA :: 3.394 HB2 :: 1.334 HB3 :: 1.148 HG2 :: 0.738 HD2 :: 0.956 HE2 :: 2.780 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.038 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.48 C 0.42 R 0.08 C Shift Assignments>> CA :: 56.540 CB :: 32.460 CG :: 24.720 CD :: 28.626 CE :: 41.374 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 :: 8.136 HA :: 3.572 HB2 :: 1.111 HB3 :: 0.934 HG2 :: 0.476(S) HG3 :: 0.299(S) HD2 :: 0.946 HE2 :: 2.265(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 :: 126.113 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.27 C 0.22 M 0.09 E 0.04 R 0.02 C Shift Assignments>> CA :: 55.170 CB :: 29.610 CG :: 33.500 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 :: 7.716 HA :: 4.092 HB2 :: 1.853 HB3 :: 1.724 HG2 :: 2.136 HE21 :: 7.488 HE22 :: 6.718 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.161 NE2 :: 112.679 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R93 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.881 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.385 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.H1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.M2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.47 C 0.4 K 0.06 G 0.05 C Shift Assignments>> C :: 173.810 CA :: 56.520(D) CB :: 31.170(D) CG :: 26.960(D) CD :: 43.280(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 :: 8.541(D) HA :: 4.078(D) HB2 :: 1.670(D) HB3 :: 1.595(D) HG2 :: 1.508(D) HG3 :: 1.229(D) HD2 :: 3.063(D) HD3 :: 3.019(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 126.521(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.E4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.37 E 0.31 M 0.26 Q 0.02 C Shift Assignments>> C :: 175.615 CA :: 54.320(D) CB :: 31.460(D) CG :: 36.520(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 :: 8.055(D) HA :: 5.356(D) HB2 :: 1.814(D) HB3 :: 1.730(D) HG2 :: 2.123(D) HG3 :: 1.891(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.896(D) Ave N Shift Values>> N :: 120.67(3.48) 2.Y5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.19 L 0.19 F 0.18 Y 0.15 K 0.12 C 0.08 N 0.03 I 0.01 R 0.01 HN Overlap>> 1.L11 2.V126 2.E63 1.L11 2.V126 2.E63 C Shift Assignments>> C :: 174.387 CA :: 56.300(D) CB :: 40.920(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 :: 8.703(D) HA :: 4.959(D) HB2 :: 2.697(D) HB3 :: 2.388(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.206(D) Ave N Shift Values>> N :: 120.52(4.2) 2.K6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.48 C 0.38 R 0.12 C Shift Assignments>> C :: 174.860 CA :: 55.950(D) CB :: 31.990(D) CG :: 24.740(D) CD :: 28.860(D) CE :: 41.700(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 :: 8.699(D) HA :: 4.887(D) HB2 :: 1.714(D) HB3 :: 1.559(D) HG2 :: 1.355(D) HG3 :: 1.243(D) HD2 :: 1.483(D) HE2 :: 2.799(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 :: 123.473(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.V8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 173.414 CA :: 61.570(D) CB :: 34.580(D) CG1 :: 21.900(D) CG2 :: 21.180(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.993(D) HA :: 4.545(D) HB :: 1.888(D) HG11 :: 0.894(D) HG12 :: 0.894(D) HG13 :: 0.894(D) HG21 :: 0.710(D) HG22 :: 0.710(D) HG23 :: 0.710(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.101(D) Ave N Shift Values>> N :: 121.14(4.54) 2.V9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 174.339 CA :: 62.090(D) CB :: 32.070(D) CG1 :: 22.450(D) CG2 :: 19.800(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 :: 8.858(D) HA :: 4.617(D) HB :: 2.235 HG11 :: 0.837(D) HG12 :: 0.837(D) HG13 :: 0.837(D) HG21 :: 0.704(D) HG22 :: 0.704(D) HG23 :: 0.704(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 :: 128.239(D) Ave N Shift Values>> N :: 121.14(4.54) 2.L10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.51 G 0.46 L 0.01 A 0.01 HN Overlap>> 1.V32 1.V32 C Shift Assignments>> C :: 174.044 CA :: 53.710(D) CB :: 46.800(D) CD1 :: 24.730(D) CD2 :: 28.460(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.413(D) HA :: 4.590(D) HB2 :: 1.799(D) HB3 :: 1.685(D) HD11 :: 1.048(D) HD12 :: 1.048(D) HD13 :: 1.048(D) HD21 :: 0.949(D) HD22 :: 0.949(D) HD23 :: 0.949(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.701(D) Ave N Shift Values>> N :: 121.86(3.9) 2.G11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.36 L 0.27 R 0.2 C 0.04 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.423 CA :: 44.230(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.986(D) HA2 :: 4.909(D) HA3 :: 3.713(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.271(D) Ave N Shift Values>> N :: 109.67(3.87) 2.S12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.659 CA :: 59.570(D) CB :: 63.080(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.997(D) HA :: 4.320(D) HB2 :: 4.096(D) HB3 :: 3.584(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.969(D) Ave N Shift Values>> N :: 116.28(3.52) 2.V13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.8 C 0.19 HN Overlap>> 1.D61 2.F29 1.D61 2.F29 C Shift Assignments>> C :: 177.037 CA :: 64.380(D) CB :: 31.620(D) CG1 :: 22.400(D) CG2 :: 20.180(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.303(D) HA :: 3.896(D) HB :: 1.980(D) HG11 :: 1.087(D) HG12 :: 1.087(D) HG13 :: 1.087(D) HG21 :: 0.885(D) HG22 :: 0.885(D) HG23 :: 0.885(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.254(D) Ave N Shift Values>> N :: 121.14(4.54) 2.G14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.696 CA :: 45.400(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.589(S) HA2 :: 4.112(D) HA3 :: 3.940(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.335(D) Ave N Shift Values>> N :: 109.67(3.87) 2.V15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.844 CA :: 45.740(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.416(D) HA2 :: 4.572(D) HA3 :: 4.250(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.432(D) Ave N Shift Values>> N :: 109.67(3.87) 2.K17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.25 I 0.24 W 0.16 E 0.07 V 0.06 R 0.05 H 0.05 Q 0.04 P 0.01 K 0.01 C Shift Assignments>> C :: 179.567 CA :: 61.000(D) CB :: 29.370(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 :: 10.381(S) HA :: 3.473(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.252(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.402 CA :: 61.020(D) CB :: 61.152 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.186(D) HA :: 4.076(D) HB2 :: 3.475 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.736(D) Ave N Shift Values>> N :: 116.28(3.52) 2.A19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.59 M 0.36 C 0.02 I 0.01 C Shift Assignments>> C :: 172.147 CA :: 54.120(D) CB :: 18.280(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.428(D) HA :: 3.788(D) HB1 :: 1.285(D) HB2 :: 1.285(D) HB3 :: 1.285(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.986(D) Ave N Shift Values>> N :: 123.23(3.54) 2.L20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.45 L 0.38 R 0.1 G 0.04 C Shift Assignments>> C :: 177.781 CA :: 58.670(D) CB :: 42.900(D) CG :: 27.220(D) CD1 :: 23.290(D) CD2 :: 25.450(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 :: 9.079(D) HA :: 3.824(D) HB2 :: 2.133(D) HB3 :: 1.037(D) HG :: 1.860(D) HD11 :: 0.738(D) HD12 :: 0.738(D) HD13 :: 0.738(D) HD21 :: 0.540(D) HD22 :: 0.540(D) HD23 :: 0.540(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.668(D) Ave N Shift Values>> N :: 121.86(3.9) 2.T21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.9 S 0.09 C Shift Assignments>> CA :: 58.850(D) CB :: 67.870(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 :: 7.758(D) HA :: 4.170 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 :: 117.020(D) Ave N Shift Values>> N :: 115.42(4.75) 2.V22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Q23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> W 0.15 C 0.15 K 0.14 E 0.13 Q 0.12 H 0.1 R 0.09 I 0.06 M 0.02 C Shift Assignments>> C :: 175.692 CA :: 58.420 CB :: 29.071 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> HA :: 4.193(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) 2.F24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.39 Y 0.22 F 0.2 C 0.16 HN Overlap>> 2.K74 2.K74 2.Q64 2.Q64 C Shift Assignments>> C :: 176.958 CA :: 60.980(D) CB :: 39.200(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 :: 8.151(D) HA :: 4.040(D) HB2 :: 2.992(D) HB3 :: 2.702(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 :: 119.140(D) Ave N Shift Values>> N :: 120.45(4.18) 2.V25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 176.846 CA :: 66.180(D) CB :: 32.180(D) CG1 :: 21.720(D) CG2 :: 22.600(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 :: 8.587(D) HA :: 3.085(D) HB :: 1.685(D) HG11 :: 0.860(D) HG12 :: 0.860(D) HG13 :: 0.860(D) HG21 :: 0.730(D) HG22 :: 0.730(D) HG23 :: 0.730(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 :: 114.714(D) Ave N Shift Values>> N :: 121.14(4.54) 2.Q26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.29 M 0.26 C 0.25 K 0.12 E 0.06 C Shift Assignments>> C :: 177.011 CA :: 55.620(D) CB :: 30.730(D) CG :: 33.710(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.741(D) HA :: 4.374(D) HB2 :: 2.239(D) HB3 :: 2.054(D) HG2 :: 2.155(D) HG3 :: 1.833(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.480(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.G27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 174.080 CA :: 46.750(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.816(D) HA2 :: 4.316(D) HA3 :: 3.770(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.403(D) Ave N Shift Values>> N :: 109.67(3.87) 2.I28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.58 I 0.37 A 0.01 G 0.01 C Shift Assignments>> C :: 173.641 CA :: 58.480(D) CB :: 42.040(D) CG1 :: 25.720(D) CG2 :: 17.390(D) CD1 :: 13.250(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 :: 6.416(D) HA :: 4.464(D) HB :: 1.489(D) HG12 :: 1.048(D) HG21 :: 0.676(D) HG22 :: 0.676(D) HG23 :: 0.676(D) HD11 :: 0.601(D) HD12 :: 0.601(D) HD13 :: 0.601(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 :: 111.467(D) Ave N Shift Values>> N :: 121.46(4.28) 2.F29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.23 N 0.19 F 0.16 Y 0.15 L 0.11 C 0.1 I 0.01 HN Overlap>> 2.V13 2.V13 C Shift Assignments>> C :: 174.695 CA :: 55.130(D) CB :: 39.670(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 :: 8.343(D) HA :: 5.031(D) HB2 :: 2.828(D) HB3 :: 2.728(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.199(D) Ave N Shift Values>> N :: 120.45(4.18) 2.V30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.73 V 0.26 HN Overlap>> 1.A10 1.A10 C Shift Assignments>> C :: 174.197 CA :: 59.540(D) CB :: 32.400(D) CG1 :: 22.030(D) CG2 :: 18.420(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 :: 7.933(D) HA :: 3.932(D) HB :: 1.730(D) HG11 :: 0.681(D) HG12 :: 0.681(D) HG13 :: 0.681(D) HG21 :: 0.581(D) HG22 :: 0.581(D) HG23 :: 0.581(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.134(D) Ave N Shift Values>> N :: 121.14(4.54) 2.E31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.41 C 0.38 M 0.09 I 0.03 K 0.03 Q 0.02 C Shift Assignments>> C :: 176.672 CA :: 57.050(D) CB :: 30.450(D) CG :: 36.640(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 :: 7.976(D) HA :: 3.716(D) HB2 :: 1.866(D) HB3 :: 1.690(D) HG2 :: 1.993(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 :: 123.418(D) Ave N Shift Values>> N :: 120.67(3.48) 2.K32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.54 C 0.35 R 0.09 C Shift Assignments>> C :: 174.393 CA :: 55.080(D) CB :: 32.700(D) CG :: 24.460(D) CD :: 28.900(D) CE :: 41.680(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 :: 7.864(D) HA :: 4.329(D) HB2 :: 1.800(D) HB3 :: 1.714(D) HG2 :: 1.307(D) HG3 :: 1.206(D) HD2 :: 1.557(D) HE2 :: 2.864(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.900(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Y33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.29 C 0.16 I 0.14 L 0.03 D 0.03 C Shift Assignments>> C :: 175.848 CA :: 58.500(D) CB :: 39.300(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 :: 8.676(D) HA :: 4.148(D) HB2 :: 2.754(D) HB3 :: 2.558(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 :: 126.478(D) Ave N Shift Values>> N :: 120.52(4.2) 2.D34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.37 L 0.21 N 0.16 K 0.07 F 0.05 C 0.05 Y 0.03 R 0.01 C Shift Assignments>> CA :: 52.600(D) CB :: 41.380(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 :: 8.092(D) HA :: 4.524(D) HB2 :: 2.491(D) HB3 :: 2.345(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 :: 129.955(D) Ave N Shift Values>> N :: 120.65(3.86) 2.P35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Indeterminable PRTL>> C 0.84 S 0.1 P 0.04 C Shift Assignments>> C :: 178.314 CA :: 63.789(D) CB :: 32.757(D) CG :: 26.690(D) CD :: 53.580(S) 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 :: 4.770(D) HB2 :: 2.574(D) HG2 :: 2.058(D) HG3 :: 1.913(D) HD2 :: 3.754 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.T36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.112 CA :: 62.070(D) CB :: 69.880(D) CG2 :: 21.380(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 :: 8.911(D) HA :: 4.220(D) HB :: 4.594(D) HG21 :: 0.912(D) HG22 :: 0.912(D) HG23 :: 0.912(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 :: 109.782(D) Ave N Shift Values>> N :: 115.42(4.75) 2.I37 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E38 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.4 M 0.3 E 0.27 Q 0.01 C Shift Assignments>> C :: 174.167 CA :: 54.360(D) CB :: 31.930(D) CG :: 36.560(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 :: 8.122(D) HA :: 4.860(D) HB2 :: 1.777(D) HB3 :: 1.582(D) HG2 :: 2.280(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 :: 131.686(D) Ave N Shift Values>> N :: 120.67(3.48) 2.D39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.32 R 0.19 D 0.19 G 0.14 C 0.04 K 0.02 F 0.02 N 0.02 Y 0.01 C Shift Assignments>> C :: 173.362 CA :: 52.530(D) CB :: 43.350(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 :: 8.170(D) HA :: 4.698(D) HB2 :: 2.370(D) HB3 :: 2.277(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.885(D) Ave N Shift Values>> N :: 120.65(3.86) 2.S40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 173.282 CA :: 56.360(D) CB :: 65.050(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.288(D) HA :: 5.437(D) HB2 :: 3.425(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.799(D) Ave N Shift Values>> N :: 116.28(3.52) 2.Y41 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.23 K 0.2 R 0.19 F 0.11 D 0.1 Y 0.07 C 0.05 HN Overlap>> 1.M86 1.M86 C Shift Assignments>> C :: 174.462 CA :: 56.640(D) CB :: 42.470(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 :: 8.943(D) HA :: 4.482(D) HB2 :: 2.791(D) HB3 :: 2.442(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.977(D) Ave N Shift Values>> N :: 120.52(4.2) 2.R42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.37 C 0.35 K 0.19 G 0.07 C Shift Assignments>> C :: 175.248 CA :: 54.520(D) CB :: 33.150(D) CG :: 27.790(D) CD :: 43.210(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 :: 8.444(D) HA :: 5.545(D) HB2 :: 1.800(D) HG2 :: 1.523(D) HG3 :: 1.453(D) HD2 :: 3.128(D) HD3 :: 2.987(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.858(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.K43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.74 K 0.15 R 0.08 HN Overlap>> 2.Q51 2.Q51 C Shift Assignments>> C :: 172.997 CA :: 55.790(D) CB :: 37.680(D) CG :: 24.520(D) CD :: 29.540(D) CE :: 41.650(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 :: 8.794(D) HA :: 4.266(D) HB2 :: 1.416(D) HB3 :: 1.368(D) HG2 :: 0.889(D) HD2 :: 1.178(D) HD3 :: 0.795(S) HE2 :: 2.596(D) HE3 :: 2.446(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 :: 123.304(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Q44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.32 K 0.29 C 0.22 M 0.06 R 0.05 E 0.04 C Shift Assignments>> C :: 175.581 CA :: 55.370(D) CB :: 29.060(D) CG :: 33.570(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.678(D) HA :: 5.266(D) HB2 :: 1.904(D) HB3 :: 1.844(D) HG2 :: 2.265(D) HG3 :: 2.151(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 130.070(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.V45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.76 V 0.22 C Shift Assignments>> C :: 172.764 CA :: 59.160(D) CB :: 35.720(D) CG1 :: 22.450(D) CG2 :: 19.820(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 :: 8.931(D) HA :: 4.626(D) HB :: 2.104(D) HG11 :: 0.862(D) HG12 :: 0.862(D) HG13 :: 0.862(D) HG21 :: 0.706(D) HG22 :: 0.706(D) HG23 :: 0.706(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.493(D) Ave N Shift Values>> N :: 121.14(4.54) 2.E46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.37 C 0.34 M 0.21 Q 0.03 K 0.02 C Shift Assignments>> C :: 175.159 CA :: 54.700(D) CB :: 30.990(D) CG :: 36.400(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 :: 8.201(D) HA :: 4.869(D) HG2 :: 1.753(D) HG3 :: 1.659(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 :: 123.049(D) Ave N Shift Values>> N :: 120.67(3.48) 2.V47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 175.559 CA :: 61.310(D) CB :: 33.530(D) CG1 :: 20.480(D) CG2 :: 20.680(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 :: 8.305(D) HA :: 3.716(D) HB :: 1.673(D) HG11 :: 0.479(D) HG12 :: 0.479(D) HG13 :: 0.479(D) HG21 :: 0.251(D) HG22 :: 0.251(D) HG23 :: 0.251(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.311(D) Ave N Shift Values>> N :: 121.14(4.54) 2.D48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.21 F 0.18 C 0.17 N 0.17 D 0.08 E 0.05 L 0.03 I 0.03 M 0.02 C Shift Assignments>> C :: 175.048 CA :: 55.810(D) CB :: 38.280(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 :: 9.223(D) HA :: 4.049(D) HB2 :: 2.673(D) HB3 :: 2.537(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 :: 129.840(D) Ave N Shift Values>> N :: 120.65(3.86) 2.A49 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.57 M 0.4 C 0.01 C Shift Assignments>> C :: 175.855 CA :: 53.090(D) CB :: 17.070(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.543(D) HA :: 3.806(D) HB1 :: 1.389(D) HB2 :: 1.389(D) HB3 :: 1.389(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 113.005(D) Ave N Shift Values>> N :: 123.23(3.54) 2.Q50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.31 Q 0.28 C 0.24 K 0.12 E 0.01 C Shift Assignments>> C :: 173.473 CA :: 53.760(D) CB :: 30.640(D) CG :: 33.220(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 :: 7.597(D) HA :: 4.563(D) HB2 :: 1.994(D) HB3 :: 1.798(D) HG2 :: 2.253(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.040(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.Q51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.27 Q 0.24 C 0.24 R 0.16 M 0.05 HN Overlap>> 2.K43 2.K43 C Shift Assignments>> C :: 175.834 CA :: 55.770(D) CB :: 28.260(D) CG :: 32.810(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.794(D) HA :: 4.428(D) HB2 :: 1.940(D) HG2 :: 2.325(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.304(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.C52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.15 R 0.14 W 0.13 H 0.12 E 0.12 M 0.1 K 0.1 Q 0.07 V 0.02 C Shift Assignments>> C :: 172.001 CA :: 57.550(D) CB :: 31.240(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.055(D) HA :: 4.905(D) HB2 :: 2.771(D) HB3 :: 2.545(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.646(D) Ave N Shift Values>> N :: 120.17(4.64) 2.M53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> H 0.17 M 0.16 C 0.16 R 0.15 W 0.1 K 0.08 Q 0.08 E 0.06 C Shift Assignments>> C :: 176.328 CA :: 53.230(D) CB :: 31.230(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 :: 8.927(D) HA :: 4.266(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 :: 122.258(D) Ave N Shift Values>> N :: 120.09(3.57) 2.L54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.29 F 0.15 L 0.14 K 0.13 Y 0.1 C 0.09 G 0.03 D 0.02 I 0.02 HN Overlap>> 1.D84 1.A74 1.D84 1.A74 C Shift Assignments>> CA :: 58.680(D) CB :: 42.940(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 :: 8.018(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 :: 121.889(D) Ave N Shift Values>> N :: 121.86(3.9) 2.E55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Duplicate N Shifts: Indeterminable PRTL>> C 0.37 M 0.3 E 0.29 Q 0.02 C Shift Assignments>> C :: 174.264 CA :: 54.855 CB :: 31.879 CG :: 36.304 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>> HA :: 4.914(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) 2.I56 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.59 I 0.39 C Shift Assignments>> C :: 174.269 CA :: 60.140(D) CB :: 40.760(D) CG1 :: 28.050(D) CG2 :: 19.800(D) CD1 :: 14.720(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 :: 9.277(D) HA :: 4.392(D) HB :: 1.527(D) HG12 :: 1.231(D) HG13 :: 0.850 HG21 :: 0.631(D) HG22 :: 0.631(D) HG23 :: 0.631(D) HD11 :: 0.250(D) HD12 :: 0.250(D) HD13 :: 0.250(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 :: 126.680(D) Ave N Shift Values>> N :: 121.46(4.28) 2.L57 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.53 C 0.24 A 0.09 R 0.09 G 0.03 C Shift Assignments>> C :: 173.287 CA :: 54.290(D) CB :: 42.600(D) CG :: 26.950(D) CD1 :: 22.590(D) CD2 :: 25.660(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 :: 8.710(D) HA :: 4.563(D) HB2 :: 1.688(D) HB3 :: 1.218(D) HG :: 1.036(D) HD11 :: 0.444(D) HD12 :: 0.444(D) HD13 :: 0.444(D) HD21 :: 0.280(D) HD22 :: 0.280(D) HD23 :: 0.280(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 :: 129.162(D) Ave N Shift Values>> N :: 121.86(3.9) 2.D58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 N 0.23 L 0.17 F 0.06 C 0.05 Y 0.04 K 0.04 C Shift Assignments>> C :: 175.366 CA :: 52.920(D) CB :: 40.820(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 :: 8.556(D) HA :: 4.653(D) HB2 :: 3.051(D) HB3 :: 2.532(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 :: 129.126(D) Ave N Shift Values>> N :: 120.65(3.86) 2.T59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.86 C 0.13 C Shift Assignments>> CA :: 61.650(D) CB :: 71.690(D) CG2 :: 21.380(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 :: 6.630(D) HA :: 4.256(D) HB :: 4.109(D) HG21 :: 0.918(D) HG22 :: 0.918(D) HG23 :: 0.918(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 :: 110.068(D) Ave N Shift Values>> N :: 115.42(4.75) 2.A60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> A 0.86 L 0.07 C 0.04 M 0.01 C Shift Assignments>> C :: 177.923 CA :: 51.611(D) CB :: 20.987(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.104 HA :: 4.590(D) HB1 :: 1.243(D) HB2 :: 1.243(D) HB3 :: 1.243(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.G61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.822 CA :: 45.410(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.476(D) HA2 :: 4.085(D) HA3 :: 3.951(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.203(D) Ave N Shift Values>> N :: 109.67(3.87) 2.T62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 171.935 CA :: 61.390(D) CB :: 69.720(D) CG2 :: 21.110(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 :: 7.774(D) HA :: 4.320(D) HB :: 4.402(D) HG21 :: 1.198(D) HG22 :: 1.198(D) HG23 :: 1.198(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 :: 111.289(D) Ave N Shift Values>> N :: 115.42(4.75) 2.E63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.36 C 0.32 K 0.11 I 0.1 Q 0.07 M 0.01 HN Overlap>> 1.L11 1.L11 2.Y5 2.Y5 C Shift Assignments>> C :: 176.973 CA :: 58.090(D) CB :: 29.070(D) CG :: 36.080(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 :: 8.758(D) HA :: 4.121(D) HB2 :: 1.983(D) HB3 :: 1.922(D) HG2 :: 2.227(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.120(D) Ave N Shift Values>> N :: 120.67(3.48) 2.Q64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.28 Q 0.26 C 0.26 R 0.1 M 0.05 E 0.02 HN Overlap>> 2.K74 2.F24 2.K74 2.F24 C Shift Assignments>> CA :: 57.010(D) CB :: 28.620(D) CG :: 33.180(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.198(D) HA :: 4.013(D) HB2 :: 1.759(D) HB3 :: 1.685(D) HG2 :: 2.024(D) HG3 :: 1.915(D) HE21 :: 7.204 HE22 :: 6.739 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.123(D) NE2 :: 109.273 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.F65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.3 F 0.27 C 0.17 I 0.14 D 0.03 L 0.03 E 0.01 N 0.01 HN Overlap>> 2.D106 2.D106 C Shift Assignments>> C :: 176.784 CA :: 58.280(D) CB :: 39.030(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 :: 7.893(D) HA :: 4.617(D) HB2 :: 3.283(D) HB3 :: 2.935(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.862(D) Ave N Shift Values>> N :: 120.45(4.18) 2.T66 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.513 CA :: 63.640(D) CB :: 69.660(D) CG2 :: 20.880(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 :: 7.961(D) HA :: 4.004(D) HB :: 4.256(D) HG21 :: 1.162(D) HG22 :: 1.162(D) HG23 :: 1.162(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 :: 114.683(D) Ave N Shift Values>> N :: 115.42(4.75) 2.A67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.47 A 0.47 I 0.02 C 0.02 C Shift Assignments>> C :: 179.547 CA :: 54.520(D) CB :: 17.950(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.261(D) HA :: 4.067(D) HB1 :: 1.353(D) HB2 :: 1.353(D) HB3 :: 1.353(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.384(D) Ave N Shift Values>> N :: 123.23(3.54) 2.M68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.43 C 0.38 Q 0.12 K 0.04 C Shift Assignments>> C :: 176.779 CA :: 56.340(D) CB :: 31.650(D) CG :: 32.190(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.715(D) HA :: 4.266(D) HB2 :: 1.959(D) HG2 :: 2.571(D) HG3 :: 2.482(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 115.920(D) Ave N Shift Values>> N :: 120.09(3.57) 2.R69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.4 R 0.35 K 0.15 G 0.04 L 0.03 C Shift Assignments>> C :: 177.111 CA :: 58.590(D) CB :: 29.390(D) CG :: 26.220(D) CD :: 43.190(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 :: 7.527(D) HA :: 3.283(D) HB2 :: 1.681(D) HG2 :: 1.536(D) HD2 :: 3.060(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.552(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.D70 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.58 C 0.4 C Shift Assignments>> C :: 179.034 CA :: 57.930(D) CB :: 41.330(D) CG :: 26.630(D) CD1 :: 24.100(D) CD2 :: 24.100(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 :: 7.373(D) HA :: 3.977(D) HB2 :: 1.604(D) HG :: 1.562(D) HD11 :: 0.822(D) HD12 :: 0.822(D) HD13 :: 0.822(D) HD21 :: 0.765(D) HD22 :: 0.765(D) HD23 :: 0.765(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.751(D) Ave N Shift Values>> N :: 121.86(3.9) 2.Y72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.M73 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.47 K 0.45 R 0.06 HN Overlap>> 2.F24 2.Q64 2.F24 2.Q64 C Shift Assignments>> C :: 178.401 CA :: 59.710(D) CB :: 32.150(D) CG :: 25.050(D) CD :: 29.030(D) CE :: 41.780(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 :: 8.107(D) HA :: 3.725(D) HB2 :: 1.849(D) HB3 :: 1.796(D) HG2 :: 1.401(D) HG3 :: 1.306(D) HD2 :: 1.587(D) HD3 :: 1.541(D) HE2 :: 2.884(D) HE3 :: 2.804(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.135(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.N75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.44 D 0.18 C 0.1 Y 0.09 F 0.09 L 0.05 HN Overlap>> 2.N141 2.N141 C Shift Assignments>> C :: 176.177 CA :: 53.750(D) CB :: 38.870(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 :: 7.976(D) HA :: 4.482(D) HB2 :: 2.635(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.829(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.G76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.266 CA :: 45.780(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.737(D) HA2 :: 3.518(D) HA3 :: 3.223(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.440(D) Ave N Shift Values>> N :: 109.67(3.87) 2.Q77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.31 M 0.29 E 0.26 Q 0.09 K 0.01 C Shift Assignments>> C :: 175.858 CA :: 55.990(D) CB :: 31.650(D) CG :: 35.460(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.912(D) HA :: 4.437(D) HB2 :: 2.079 HB3 :: 1.809 HG2 :: 2.468(D) HG3 :: 2.327(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.663(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.G78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 180.418(S) CA :: 45.240(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.863(D) HA2 :: 4.779(D) HA3 :: 3.031(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.059(D) Ave N Shift Values>> N :: 109.67(3.87) 2.F79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.31 L 0.22 K 0.11 F 0.1 Y 0.06 C 0.06 D 0.06 G 0.02 HN Overlap>> 1.T30 1.T30 C Shift Assignments>> C :: 172.866 CA :: 57.210(D) CB :: 43.060(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 :: 7.746(D) HA :: 5.266(D) HB2 :: 2.690(D) HB3 :: 2.596(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.460(D) Ave N Shift Values>> N :: 120.45(4.18) 2.A80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 M 0.03 C 0.01 C Shift Assignments>> C :: 173.778 CA :: 49.510(D) CB :: 18.650(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.018(D) HA :: 5.076(D) HB1 :: 0.849(D) HB2 :: 0.849(D) HB3 :: 0.849(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.848(D) Ave N Shift Values>> N :: 123.23(3.54) 2.L81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.52 C 0.33 R 0.12 C Shift Assignments>> CA :: 54.840(D) CB :: 41.900(D) CG :: 28.330(D) CD1 :: 25.530(D) CD2 :: 25.200(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 :: 9.097(D) HA :: 4.904(D) HB2 :: 1.965(D) HB3 :: 1.175(D) HG :: 1.720(D) HD11 :: 0.746(D) HD12 :: 0.746(D) HD13 :: 0.746(D) HD21 :: 0.630(D) HD22 :: 0.630(D) HD23 :: 0.630(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.234(D) Ave N Shift Values>> N :: 121.86(3.9) 2.V82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 175.064 CA :: 60.640(D) CB :: 33.071(D) CG1 :: 20.840(D) CG2 :: 22.510(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> HA :: 5.058(D) HB :: 1.850(D) HG11 :: 0.650(D) HG12 :: 0.650(D) HG13 :: 0.650(D) HG21 :: 0.564(D) HG22 :: 0.564(D) HG23 :: 0.564(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) 2.Y83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.28 Y 0.16 F 0.15 D 0.15 C 0.13 L 0.05 E 0.01 I 0.01 M 0.01 C Shift Assignments>> C :: 172.485 CA :: 55.000(D) CB :: 38.700(D) Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.301(D) HA :: 4.905(D) HB2 :: 3.273(D) HB3 :: 2.919(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 123.160(D) Ave N Shift Values>> N :: 120.52(4.2) 2.S84 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.98 C Shift Assignments>> C :: 177.281 CA :: 54.090(D) CB :: 64.770(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.573(D) HA :: 4.896(D) HB2 :: 3.769(D) HB3 :: 3.543(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.584(D) Ave N Shift Values>> N :: 116.28(3.52) 2.I85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 176.487 CA :: 64.070(D) CB :: 37.710(D) CG1 :: 26.960(D) CG2 :: 17.670(D) CD1 :: 15.310(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 :: 8.473(D) HA :: 4.085(D) HB :: 2.116(D) HG12 :: 0.999(D) HG21 :: 0.829(D) HG22 :: 0.829(D) HG23 :: 0.829(D) HD11 :: 0.463(D) HD12 :: 0.463(D) HD13 :: 0.463(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.281(D) Ave N Shift Values>> N :: 121.46(4.28) 2.T86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.81 C 0.17 C Shift Assignments>> C :: 174.037 CA :: 61.480(D) CB :: 68.930(D) CG2 :: 22.604 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 :: 8.259(D) HA :: 4.518(D) HB :: 4.571(D) HG21 :: 0.921 HG22 :: 0.921 HG23 :: 0.921 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 :: 112.006(D) Ave N Shift Values>> N :: 115.42(4.75) 2.A87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.86 L 0.07 C 0.04 C Shift Assignments>> C :: 175.951 CA :: 51.300(D) CB :: 21.100(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.542(D) HA :: 4.806(D) HB1 :: 1.320(D) HB2 :: 1.320(D) HB3 :: 1.320(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.124(D) Ave N Shift Values>> N :: 123.23(3.54) 2.Q88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.36 E 0.28 I 0.21 K 0.08 Q 0.04 C Shift Assignments>> C :: 177.878 CA :: 59.110(D) CB :: 28.250(D) CG :: 36.090(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.926(D) HA :: 3.590(D) HB2 :: 1.912(D) HG2 :: 2.326(D) HG3 :: 2.155(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 128.734(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.S89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.332 CA :: 62.050(D) CB :: 60.900(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.232(D) HA :: 4.004(D) HB2 :: 3.847(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.811(D) Ave N Shift Values>> N :: 116.28(3.52) 2.T90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 175.578 CA :: 64.280(D) CB :: 68.610(D) CG2 :: 22.830 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 :: 7.054(D) HA :: 4.230(D) HB :: 4.675(D) HG21 :: 1.270 HG22 :: 1.270 HG23 :: 1.270 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 :: 112.069(D) Ave N Shift Values>> N :: 115.42(4.75) 2.F91 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.27 I 0.24 C 0.15 L 0.02 D 0.01 C Shift Assignments>> C :: 177.268 CA :: 59.920(D) CB :: 39.950(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.069(D) HA :: 3.869(D) HB2 :: 3.126(D) HB3 :: 2.457(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 124.554(D) Ave N Shift Values>> N :: 120.45(4.18) 2.N92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 N 0.18 E 0.17 Y 0.16 F 0.11 M 0.06 D 0.03 I 0.02 K 0.01 L 0.01 C Shift Assignments>> C :: 177.832 CA :: 55.490(D) CB :: 37.340(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 :: 8.036(D) HA :: 4.202(D) HB2 :: 2.914(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.388(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.D93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.21 F 0.18 L 0.18 Y 0.15 K 0.09 C 0.08 N 0.05 I 0.01 HN Overlap>> 2.V104 2.V104 C Shift Assignments>> C :: 177.168 CA :: 56.080(D) CB :: 40.740(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 :: 7.987(D) HA :: 4.437(D) HB2 :: 2.652(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.485(D) Ave N Shift Values>> N :: 120.65(3.86) 2.L94 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.59 R 0.28 L 0.06 G 0.03 HN Overlap>> 2.K152 2.K152 C Shift Assignments>> C :: 178.426 CA :: 57.190(D) CB :: 42.650(D) CG :: 25.380(D) CD1 :: 23.010(D) CD2 :: 28.340(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 :: 7.193(D) HA :: 4.031(D) HB2 :: 1.908(D) HB3 :: 1.490(D) HG :: 2.210(D) HD11 :: 0.930(D) HD12 :: 0.930(D) HD13 :: 0.930(D) HD21 :: 0.827(D) HD22 :: 0.827(D) HD23 :: 0.827(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.475(D) Ave N Shift Values>> N :: 121.86(3.9) 2.Q95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.46 R 0.17 K 0.12 Q 0.11 P 0.08 I 0.01 HN Overlap>> 2.R98 2.R98 C Shift Assignments>> C :: 177.715 CA :: 60.090(D) CB :: 27.300(D) CG :: 32.860(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 :: 7.654(D) HA :: 4.031(D) HB2 :: 2.267(D) HB3 :: 2.090(D) HG2 :: 2.364(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.335(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.D96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.21 Y 0.17 L 0.17 D 0.15 K 0.12 C 0.09 I 0.02 N 0.02 C Shift Assignments>> C :: 178.267 CA :: 56.770(D) CB :: 40.870(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 :: 8.236(D) HA :: 4.320(D) HB2 :: 2.562(D) HB3 :: 2.499(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.187(D) Ave N Shift Values>> N :: 120.65(3.86) 2.L97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.55 C 0.39 R 0.03 C Shift Assignments>> C :: 177.869 CA :: 57.770(D) CB :: 42.060(D) CG :: 27.210(D) CD1 :: 24.970(D) CD2 :: 23.480(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.975(D) HA :: 3.905(D) HB2 :: 1.857(D) HB3 :: 1.258(D) HG :: 1.681(D) HD11 :: 0.858(D) HD12 :: 0.858(D) HD13 :: 0.858(D) HD21 :: 0.815(D) HD22 :: 0.815(D) HD23 :: 0.815(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.317(D) Ave N Shift Values>> N :: 121.86(3.9) 2.R98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.25 C 0.21 W 0.13 K 0.09 E 0.07 Q 0.06 H 0.05 R 0.04 P 0.02 L 0.01 V 0.01 HN Overlap>> 2.Q95 2.Q95 C Shift Assignments>> C :: 177.145 CA :: 60.130(D) CB :: 28.300(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.709(D) HA :: 3.229(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.241(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.E99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 E 0.29 I 0.2 K 0.08 Q 0.04 C Shift Assignments>> C :: 178.828 CA :: 59.230(D) CB :: 28.470(D) CG :: 36.090 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 :: 7.583(D) HA :: 3.563(D) HB2 :: 1.912 HG2 :: 2.306 HG3 :: 2.140 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.366(D) Ave N Shift Values>> N :: 120.67(3.48) 2.Q100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 K 0.19 R 0.18 Q 0.18 M 0.01 I 0.01 P 0.01 HN Overlap>> 2.Q133 2.Q133 C Shift Assignments>> C :: 177.390 CA :: 58.960(D) CB :: 27.620(D) CG :: 32.940(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 :: 7.628(D) HA :: 3.797(D) HG2 :: 2.357(D) HG3 :: 2.282(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.141(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.I101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.256 CA :: 65.530(D) CB :: 38.000(D) CG1 :: 28.170(D) CG2 :: 17.640(D) CD1 :: 15.760(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 :: 7.433(D) HA :: 3.175(D) HB :: 1.386(D) HG12 :: 1.561(D) HG13 :: -0.071(D) HG21 :: -0.078(D) HG22 :: -0.078(D) HG23 :: -0.078(D) HD11 :: 0.228(D) HD12 :: 0.228(D) HD13 :: 0.228(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.103(D) Ave N Shift Values>> N :: 121.46(4.28) 2.L102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.63 L 0.35 HN Overlap>> 2.E124 2.E124 C Shift Assignments>> C :: 179.994 CA :: 57.990(D) CB :: 39.710(D) CG :: 27.000(D) CD1 :: 22.330(D) CD2 :: 23.790(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 :: 7.522(D) HA :: 3.725(D) HB2 :: 1.472(D) HG :: 1.630(D) HD11 :: 0.520(D) HD12 :: 0.520(D) HD13 :: 0.520(D) HD21 :: 0.520(D) HD22 :: 0.520(D) HD23 :: 0.520(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.500(D) Ave N Shift Values>> N :: 121.86(3.9) 2.R103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.42 R 0.41 K 0.1 G 0.03 L 0.01 C Shift Assignments>> C :: 179.126 CA :: 58.770(D) CB :: 29.730(D) CG :: 26.740(D) CD :: 42.980(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 :: 7.730(D) HA :: 3.959(D) HB2 :: 1.838(D) HB3 :: 1.707(D) HG2 :: 1.542(D) HG3 :: 1.424(D) HD2 :: 3.098(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.807(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.V104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.88 C 0.11 HN Overlap>> 2.D93 2.D93 C Shift Assignments>> C :: 177.842 CA :: 65.490(D) CB :: 31.710(D) CG1 :: 22.500(D) CG2 :: 21.150(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 :: 7.952(D) HA :: 3.635(D) HB :: 1.922(D) HG11 :: 0.938(D) HG12 :: 0.938(D) HG13 :: 0.938(D) HG21 :: 0.809(D) HG22 :: 0.809(D) HG23 :: 0.809(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.480(D) Ave N Shift Values>> N :: 121.14(4.54) 2.K105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.51 C 0.44 R 0.03 C Shift Assignments>> C :: 175.979 CA :: 56.210(D) CB :: 31.770(D) CG :: 24.370(D) CE :: 41.590(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 :: 8.128(D) HA :: 4.013(D) HB2 :: 1.717(D) HB3 :: 1.629(D) HG2 :: 1.409(D) HG3 :: 1.337(D) HE2 :: 3.282(D) HE3 :: 3.111(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 :: 116.278(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.D106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.26 D 0.24 F 0.13 Y 0.12 L 0.1 C 0.09 I 0.01 HN Overlap>> 2.F65 2.F65 C Shift Assignments>> C :: 173.771 CA :: 54.590(D) CB :: 39.530(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 :: 7.900(D) HA :: 4.202(D) HB2 :: 3.030(D) HB3 :: 2.189(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.870(D) Ave N Shift Values>> N :: 120.65(3.86) 2.T107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.62 C 0.33 S 0.02 A 0.01 C Shift Assignments>> C :: 175.978 CA :: 59.600(D) CB :: 68.500(D) CG2 :: 19.480 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 :: 7.408(D) HA :: 4.419(D) HB :: 4.181(D) HG21 :: 0.831 HG22 :: 0.831 HG23 :: 0.831 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 :: 110.438(D) Ave N Shift Values>> N :: 115.42(4.75) 2.D108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 N 0.23 L 0.16 F 0.08 Y 0.07 C 0.06 K 0.02 C Shift Assignments>> C :: 176.416 CA :: 53.650(D) CB :: 40.440(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 :: 7.861(D) HA :: 4.527(D) HB2 :: 2.589(D) HB3 :: 2.464(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.392(D) Ave N Shift Values>> N :: 120.65(3.86) 2.D109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.34 N 0.26 L 0.15 F 0.07 Y 0.06 C 0.06 K 0.02 C Shift Assignments>> C :: 173.846 CA :: 53.320(D) CB :: 40.450(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 :: 8.070(D) HA :: 4.626(D) HB2 :: 2.647(D) HB3 :: 2.429(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.278(D) Ave N Shift Values>> N :: 120.65(3.86) 2.V110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.72 V 0.26 A 0.01 C Shift Assignments>> CA :: 58.570(D) CB :: 35.530(D) CG1 :: 20.940(D) CG2 :: 21.860(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 :: 7.390(D) HA :: 4.462(D) HB :: 1.674(D) HG11 :: 0.847(D) HG12 :: 0.847(D) HG13 :: 0.847(D) HG21 :: 0.678(D) HG22 :: 0.678(D) HG23 :: 0.678(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.434(D) Ave N Shift Values>> N :: 121.14(4.54) 2.P111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 175.594 CA :: 63.960(D) CB :: 31.360(D) CD :: 51.620 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 :: 4.473(D) HD2 :: 3.935 HD3 :: 3.749 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 2.M112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.4 M 0.29 E 0.28 Q 0.01 C Shift Assignments>> C :: 173.715 CA :: 54.950(D) CB :: 36.510(D) CG :: 32.080(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 :: 8.339(D) HA :: 5.689(D) HB2 :: 2.150(D) HG2 :: 2.624(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 :: 124.393(D) Ave N Shift Values>> N :: 120.09(3.57) 2.I113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.75 I 0.19 G 0.05 C Shift Assignments>> C :: 180.393 CA :: 59.610(D) CB :: 42.720(D) CG1 :: 28.050(D) CG2 :: 15.670(D) CD1 :: 15.080(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 :: 8.559(D) HA :: 4.671(D) HB :: 1.321(D) HG12 :: 1.225(D) HG21 :: 0.750(D) HG22 :: 0.750(D) HG23 :: 0.750(D) HD11 :: 0.647(D) HD12 :: 0.647(D) HD13 :: 0.647(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 :: 121.743(D) Ave N Shift Values>> N :: 121.46(4.28) 2.L114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.38 R 0.28 C 0.21 G 0.09 C Shift Assignments>> C :: 173.759 CA :: 53.830(D) CB :: 43.360(D) CG :: 28.060(D) CD1 :: 26.660(D) CD2 :: 24.540(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 :: 8.757(D) HA :: 5.140(D) HB2 :: 2.216(D) HB3 :: 1.545(D) HG :: 1.864(D) HD11 :: 0.653(D) HD12 :: 0.653(D) HD13 :: 0.653(D) HD21 :: 1.090(D) HD22 :: 1.090(D) HD23 :: 1.090(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 :: 131.950(D) Ave N Shift Values>> N :: 121.86(3.9) 2.V115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.59 V 0.39 HN Overlap>> 1.M31 1.M31 C Shift Assignments>> C :: 173.431 CA :: 60.130(D) CB :: 34.980(D) CG1 :: 21.490(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.028(D) HA :: 4.716(D) HB :: 1.790(D) HG11 :: 0.540(D) HG12 :: 0.540(D) HG13 :: 0.540(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.916(D) Ave N Shift Values>> N :: 121.14(4.54) 2.G116 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> G 0.64 L 0.19 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.750(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.462(D) HA2 :: 2.606(S) HA3 :: 2.496(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.339(D) Ave N Shift Values>> N :: 109.67(3.87) 2.N117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 N 0.27 L 0.16 C 0.05 F 0.04 K 0.03 Y 0.02 HN Overlap>> 2.V126 2.V126 C Shift Assignments>> C :: 173.951 CA :: 51.540(D) CB :: 41.070(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 :: 8.763(D) HA :: 5.275(D) HB2 :: 2.630(D) HB3 :: 2.108(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.388(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.K118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.67 L 0.18 K 0.1 R 0.01 V 0.01 C Shift Assignments>> C :: 177.947 CA :: 57.270(D) CB :: 28.920(D) CG :: 23.710 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 :: 7.168(D) HA :: 4.013(D) HB2 :: 1.824 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 :: 110.349(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.C119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.26 I 0.25 R 0.13 K 0.13 L 0.05 W 0.05 Q 0.03 H 0.02 P 0.02 E 0.01 C Shift Assignments>> C :: 173.183 CA :: 59.850(D) CB :: 26.040(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.015(D) HA :: 4.193(D) HB2 :: 3.250 HB3 :: 2.365 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 114.821(D) Ave N Shift Values>> N :: 120.17(4.64) 2.D120 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 N 0.21 L 0.15 F 0.11 Y 0.1 C 0.07 K 0.01 C Shift Assignments>> C :: 176.483 CA :: 54.310(D) CB :: 40.180(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 :: 8.677(D) HA :: 4.437(D) HB2 :: 2.563(D) HB3 :: 2.494(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.415(D) Ave N Shift Values>> N :: 120.65(3.86) 2.L121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.57 C 0.29 L 0.13 C Shift Assignments>> C :: 177.160 CA :: 52.590(D) CB :: 38.430(D) CG :: 25.390(D) CD1 :: 26.270(D) CD2 :: 21.910(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 :: 7.992(D) HA :: 4.599(D) HB2 :: 1.825(D) HB3 :: 1.198(D) HG :: 1.391(D) HD11 :: 0.838(D) HD12 :: 0.838(D) HD13 :: 0.838(D) HD21 :: 0.603(D) HD22 :: 0.603(D) HD23 :: 0.603(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.346(D) Ave N Shift Values>> N :: 121.86(3.9) 2.E122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 E 0.19 Q 0.19 K 0.17 I 0.04 M 0.03 C Shift Assignments>> C :: 178.802 CA :: 59.230(D) CB :: 29.510(D) CG :: 34.730(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 :: 6.880(D) HA :: 3.743(D) HB2 :: 1.922(D) HB3 :: 1.848(D) HG2 :: 2.306(D) HG3 :: 2.160(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.716(D) Ave N Shift Values>> N :: 120.67(3.48) 2.D123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.22 Y 0.21 D 0.17 C 0.12 L 0.1 N 0.1 I 0.03 C Shift Assignments>> C :: 176.589 CA :: 56.090(D) CB :: 39.600(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 :: 8.601(D) HA :: 4.320(D) HB2 :: 2.569(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.636(D) Ave N Shift Values>> N :: 120.65(3.86) 2.E124 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.4 C 0.33 M 0.15 Q 0.05 K 0.04 HN Overlap>> 2.L102 2.L102 C Shift Assignments>> C :: 175.025 CA :: 54.870(D) CB :: 30.480(D) CG :: 36.350(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 :: 7.509(D) HA :: 4.293(D) HB2 :: 2.287(D) HG2 :: 2.079(D) HG3 :: 1.996(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.494(D) Ave N Shift Values>> N :: 120.67(3.48) 2.R125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.43 R 0.37 K 0.13 G 0.04 C Shift Assignments>> C :: 175.188 CA :: 58.620(D) CB :: 31.420(D) CD :: 43.190(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 :: 7.108(D) HA :: 3.283(D) HB2 :: 1.681(D) HB3 :: 1.553 HD2 :: 3.060(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.635(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.V126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.68 C 0.31 HN Overlap>> 1.L11 1.L11 2.N117 2.Y5 2.N117 2.Y5 C Shift Assignments>> C :: 174.905 CA :: 62.430(D) CB :: 33.920(D) CG1 :: 21.380(D) CG2 :: 20.630(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 :: 8.755(D) HA :: 4.257(D) HB :: 1.959(D) HG11 :: 0.912(D) HG12 :: 0.912(D) HG13 :: 0.912(D) HG21 :: 0.852(D) HG22 :: 0.852(D) HG23 :: 0.852(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.286(D) Ave N Shift Values>> N :: 121.14(4.54) 2.V127 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 175.603 CA :: 61.230(D) CB :: 31.850(D) CG1 :: 19.550(D) CG2 :: 20.130(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 :: 7.786(D) HA :: 3.815(D) HB :: 1.907(D) HG11 :: 0.552(D) HG12 :: 0.552(D) HG13 :: 0.552(D) HG21 :: 0.019(D) HG22 :: 0.019(D) HG23 :: 0.019(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.765(D) Ave N Shift Values>> N :: 121.14(4.54) 2.G128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.712 CA :: 45.520(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.516(D) HA2 :: 3.949(D) HA3 :: 4.104(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.332(D) Ave N Shift Values>> N :: 109.67(3.87) 2.K129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.49 K 0.43 R 0.06 C Shift Assignments>> C :: 178.347 CA :: 60.260(D) CB :: 32.270(D) CG :: 25.270(D) CD :: 29.480(D) CE :: 41.820(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 :: 8.976(D) HA :: 4.085(D) HB2 :: 1.801(D) HB3 :: 1.684(D) HG2 :: 1.466(D) HG3 :: 1.406(D) HD2 :: 1.607(D) HE2 :: 2.882(D) HE3 :: 2.831(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 :: 128.267(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.38 E 0.27 I 0.18 K 0.08 Q 0.06 R 0.01 C Shift Assignments>> C :: 178.268 CA :: 58.690(D) CB :: 27.940(D) CG :: 36.020(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 :: 8.858(D) HA :: 3.887(D) HB2 :: 1.723(D) HB3 :: 1.655(D) HG2 :: 2.163(D) HG3 :: 2.131(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.156(D) Ave N Shift Values>> N :: 120.67(3.48) 2.Q131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.39 Q 0.19 K 0.15 E 0.12 I 0.08 R 0.04 C Shift Assignments>> C :: 179.526 CA :: 59.020(D) CB :: 27.800(D) CG :: 34.730(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 :: 7.088(D) HA :: 3.806(D) HB2 :: 1.770(D) HB3 :: 1.555(D) HG2 :: 2.131(D) HG3 :: 2.019(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.590(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.G132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 C 0.07 L 0.04 A 0.01 P 0.01 C Shift Assignments>> C :: 173.624 CA :: 47.280(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.987(D) HA2 :: 3.383(D) HA3 :: 3.495(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.512(D) Ave N Shift Values>> N :: 109.67(3.87) 2.Q133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 Q 0.26 K 0.23 E 0.09 R 0.05 I 0.02 M 0.01 HN Overlap>> 2.Q100 2.Q100 C Shift Assignments>> C :: 179.003 CA :: 58.170(D) CB :: 28.300(D) CG :: 34.230(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 :: 7.574(D) HA :: 3.103(D) HB2 :: 1.850(D) HB3 :: 1.685(D) HG2 :: 2.171(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.154(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.N134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.2 N 0.19 Y 0.18 F 0.13 E 0.12 D 0.05 M 0.04 I 0.02 L 0.01 C Shift Assignments>> C :: 177.160 CA :: 55.560(D) CB :: 37.660(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 :: 8.095(D) HA :: 4.193(D) HB2 :: 2.704(D) HB3 :: 2.573(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.316(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.L135 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.51 L 0.46 A 0.02 C Shift Assignments>> C :: 176.444 CA :: 57.260(D) CB :: 40.820(D) CG :: 26.120(D) CD1 :: 22.330(D) CD2 :: 25.330(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 :: 7.316(D) HA :: 3.635(D) HB2 :: 1.321(D) HB3 :: 1.018(D) HG :: -0.283(S) HD11 :: 0.196(D) HD12 :: 0.196(D) HD13 :: 0.196(D) HD21 :: -0.460(S) HD22 :: -0.460(S) HD23 :: -0.460(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.921(D) Ave N Shift Values>> N :: 121.86(3.9) 2.A136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.58 A 0.36 I 0.03 C 0.01 C Shift Assignments>> C :: 180.455 CA :: 54.900(D) CB :: 17.620(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.498(D) HA :: 3.725(D) HB1 :: 1.382(D) HB2 :: 1.382(D) HB3 :: 1.382(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.876(D) Ave N Shift Values>> N :: 123.23(3.54) 2.R137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.48 R 0.39 G 0.06 K 0.04 C Shift Assignments>> C :: 173.857 CA :: 60.310(D) CB :: 29.570(D) CG :: 27.130(D) CD :: 43.160(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 :: 7.583(D) HA :: 3.833(D) HB2 :: 1.836(D) HG2 :: 1.704(D) HG3 :: 1.517(D) HD2 :: 3.125(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.323(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.Q138 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.34 Q 0.25 K 0.2 R 0.11 E 0.04 I 0.02 M 0.01 HN Overlap>> 2.C142 2.C142 C Shift Assignments>> C :: 178.264 CA :: 58.300(D) CB :: 27.720(D) CG :: 33.740(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 :: 7.555(D) HA :: 4.004(D) HB2 :: 2.183(D) HG2 :: 2.439(D) HG3 :: 2.356(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.590(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.W139 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.34 R 0.2 C 0.13 Q 0.1 H 0.07 W 0.05 K 0.03 E 0.02 C Shift Assignments>> C :: 174.859 CA :: 53.320(D) CB :: 27.040(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 :: 7.990(D) HA :: 4.779(D) HB2 :: 3.265(D) HE1 :: 9.956 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 :: 125.706(D) NE1 :: 126.701 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.N140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.31 C 0.22 E 0.15 M 0.12 Y 0.06 F 0.04 K 0.02 D 0.01 Q 0.01 C Shift Assignments>> C :: 174.498 CA :: 53.610(D) CB :: 36.460(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 :: 7.860(D) HA :: 4.266(D) HB2 :: 3.029(D) HB3 :: 2.693(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.530(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.N141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.25 C 0.22 E 0.18 M 0.11 Y 0.07 F 0.05 K 0.02 D 0.01 Q 0.01 HN Overlap>> 2.N75 2.N75 C Shift Assignments>> C :: 179.168 CA :: 54.210(D) CB :: 36.570(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.075(D) HA :: 4.220(D) HB2 :: 2.901(D) HB3 :: 2.716(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.813(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.C142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.16 C 0.16 Q 0.11 W 0.11 I 0.1 K 0.09 E 0.08 H 0.07 L 0.07 HN Overlap>> 2.Q138 2.Q138 C Shift Assignments>> C :: 173.285 CA :: 58.300(D) CB :: 27.720(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.584(D) HA :: 4.545(D) HB2 :: 3.521(D) HB3 :: 3.068(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.658(D) Ave N Shift Values>> N :: 120.17(4.64) 2.A143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.84 M 0.11 C 0.02 L 0.01 C Shift Assignments>> C :: 176.215 CA :: 53.220(D) CB :: 19.510(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.973(D) HA :: 4.275(D) HB1 :: 1.387(D) HB2 :: 1.387(D) HB3 :: 1.387(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.021(D) Ave N Shift Values>> N :: 123.23(3.54) 2.F144 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 R 0.23 K 0.15 D 0.11 F 0.08 Y 0.05 C 0.05 G 0.01 C Shift Assignments>> C :: 174.159 CA :: 56.050(D) CB :: 42.690(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 :: 8.018(D) HA :: 5.941(D) HB2 :: 2.998(D) HB3 :: 2.511(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 :: 121.620(D) Ave N Shift Values>> N :: 120.45(4.18) 2.L145 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.57 L 0.24 C 0.16 A 0.01 C Shift Assignments>> C :: 173.980 CA :: 53.850(D) CB :: 45.760(D) CG :: 25.700(D) CD1 :: 24.250(D) CD2 :: 25.470(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.036(D) HA :: 3.752(D) HB2 :: 1.383(D) HB3 :: 1.087(D) HG :: 1.273(D) HD11 :: 0.590(D) HD12 :: 0.590(D) HD13 :: 0.590(D) HD21 :: 0.446(D) HD22 :: 0.446(D) HD23 :: 0.446(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 :: 126.555(D) Ave N Shift Values>> N :: 121.86(3.9) 2.E146 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.39 E 0.34 M 0.22 Q 0.01 C Shift Assignments>> C :: 175.920 CA :: 54.800(D) CB :: 31.380(D) CG :: 36.800(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 :: 7.686(D) HA :: 4.932(D) HG2 :: 1.885(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.524(D) Ave N Shift Values>> N :: 120.67(3.48) 2.S147 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.99 C Shift Assignments>> C :: 174.642 CA :: 56.900(D) CB :: 69.500(S) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.917(D) HA :: 4.770(D) HB2 :: 3.621(D) HB3 :: 3.045(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.181(D) Ave N Shift Values>> N :: 116.28(3.52) 2.S148 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 175.743 CA :: 57.010(D) CB :: 65.150(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.794(D) HA :: 4.950(D) HB2 :: 4.285(D) HB3 :: 3.479(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.994(D) Ave N Shift Values>> N :: 116.28(3.52) 2.A149 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.54 M 0.39 C 0.02 I 0.02 C Shift Assignments>> C :: 175.866 CA :: 54.680(D) CB :: 18.580(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.956(D) HA :: 3.896(D) HB1 :: 1.473(D) HB2 :: 1.473(D) HB3 :: 1.473(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.864(D) Ave N Shift Values>> N :: 123.23(3.54) 2.K150 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.54 K 0.44 C Shift Assignments>> C :: 176.890 CA :: 58.180(D) CB :: 34.200(D) CG :: 23.881 CE :: 41.750 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 :: 6.733(D) HA :: 2.473(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 :: 115.878(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.S151 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> C :: 172.747 CA :: 58.088(D) CB :: 63.450(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.084(D) HA :: 4.211(D) HB2 :: 3.801(D) HB3 :: 3.410(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.501(D) Ave N Shift Values>> N :: 116.28(3.52) 2.K152 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.64 K 0.2 R 0.13 HN Overlap>> 2.L94 2.L94 C Shift Assignments>> C :: 174.414 CA :: 58.430(D) CB :: 28.820(D) CG :: 25.690(D) CD :: 29.310(D) CE :: 41.500(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 :: 7.150(D) HA :: 3.365(D) HB2 :: 1.840(D) HG2 :: 0.999(D) HD2 :: 1.504(D) HE2 :: 2.829(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 :: 116.509(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.I153 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.64 C 0.34 C Shift Assignments>> C :: 175.493 CA :: 60.480(D) CB :: 39.330(D) CG1 :: 26.430(D) CG2 :: 16.590(D) CD1 :: 12.620(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 :: 7.855(D) HA :: 3.995(D) HB :: 1.327(D) HG12 :: 1.184(D) HG13 :: 0.836(D) HG21 :: 0.661(D) HG22 :: 0.661(D) HG23 :: 0.661(D) HD11 :: 0.607(D) HD12 :: 0.607(D) HD13 :: 0.607(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.702(D) Ave N Shift Values>> N :: 121.46(4.28) 2.N154 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.35 C 0.2 E 0.13 Y 0.09 M 0.07 F 0.06 D 0.03 K 0.01 C Shift Assignments>> C :: 172.763 CA :: 54.160(D) CB :: 37.090(D) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.096(D) HA :: 4.743(D) HB2 :: 2.923(D) HB3 :: 2.846(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.140(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.V155 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 176.386 CA :: 66.030(D) CB :: 31.220(D) CG1 :: 23.370(D) CG2 :: 21.590(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 :: 7.312(D) HA :: 3.446(D) HB :: 1.844(D) HG11 :: 0.723(D) HG12 :: 0.723(D) HG13 :: 0.723(D) HG21 :: 0.962(D) HG22 :: 0.962(D) HG23 :: 0.962(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.546(D) Ave N Shift Values>> N :: 121.14(4.54) 2.N156 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 E 0.21 N 0.14 Y 0.14 F 0.1 M 0.07 I 0.02 D 0.02 K 0.01 C Shift Assignments>> C :: 176.510 CA :: 55.590(D) CB :: 37.100(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 :: 7.821(D) HA :: 4.094(D) HB2 :: 2.387(D) HB3 :: 2.007(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.059(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.E157 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.51 C 0.36 E 0.1 C Shift Assignments>> C :: 177.387 CA :: 60.610(D) CB :: 28.540(D) CG :: 37.660 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 :: 8.796(D) HA :: 3.401(D) HB2 :: 1.553 HG2 :: 2.130 HG3 :: 2.470 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.946(D) Ave N Shift Values>> N :: 120.67(3.48) 2.I158 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 174.640 CA :: 64.940(D) CB :: 39.280(D) CG1 :: 27.770(D) CG2 :: 16.210(D) CD1 :: 15.210(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 :: 6.684(D) HA :: 2.959(D) HB :: 0.884(D) HG12 :: 1.799(D) HG13 :: 0.402(D) HG21 :: 0.598(D) HG22 :: 0.598(D) HG23 :: 0.598(D) HD11 :: -0.342(S) HD12 :: -0.342(S) HD13 :: -0.342(S) 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 :: 117.652(D) Ave N Shift Values>> N :: 121.46(4.28) 2.F159 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.35 Y 0.22 C 0.2 F 0.17 E 0.02 C Shift Assignments>> C :: 177.807 CA :: 60.440(D) CB :: 38.210(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 :: 5.811(S) HA :: 3.536(D) HB2 :: 2.243(D) HB3 :: 1.789(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 :: 114.436(D) Ave N Shift Values>> N :: 120.45(4.18) 2.Y160 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.29 C 0.27 Y 0.1 M 0.07 I 0.07 F 0.05 K 0.04 Q 0.02 V 0.02 C Shift Assignments>> C :: 177.946 CA :: 58.400(D) CB :: 36.090(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 :: 8.474(D) HA :: 4.013(D) HB2 :: 2.895(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.788(D) Ave N Shift Values>> N :: 120.52(4.2) 2.D161 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.25 F 0.19 Y 0.14 L 0.13 R 0.09 C 0.08 D 0.05 I 0.03 C Shift Assignments>> C :: 178.721 CA :: 58.270(D) CB :: 41.920(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 :: 7.979(D) HA :: 4.148(D) HB2 :: 2.580(D) HB3 :: 2.280(D) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.521(D) Ave N Shift Values>> N :: 120.65(3.86) 2.L162 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.43 C 0.34 K 0.16 R 0.03 G 0.02 C Shift Assignments>> C :: 178.319 CA :: 58.140(D) CB :: 42.710(D) CG :: 26.950 CD1 :: 24.850(D) Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.815(D) HA :: 3.725(D) HB2 :: 1.879(D) HB3 :: 0.925(D) HG :: 1.630 HD11 :: 0.483(D) HD12 :: 0.483(D) HD13 :: 0.483(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 115.527(D) Ave N Shift Values>> N :: 121.86(3.9) 2.V163 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.132 CA :: 67.040(D) CB :: 30.850(D) CG1 :: 23.260(D) CG2 :: 20.400(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 :: 7.376(D) HA :: 2.932(D) HB :: 1.944(D) HG11 :: 0.409(D) HG12 :: 0.409(D) HG13 :: 0.409(D) HG21 :: 0.228(D) HG22 :: 0.228(D) HG23 :: 0.228(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.570(D) Ave N Shift Values>> N :: 121.14(4.54) 2.R164 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 I 0.21 W 0.15 K 0.09 E 0.08 H 0.06 Q 0.06 R 0.05 V 0.02 P 0.01 C Shift Assignments>> C :: 179.866 CA :: 60.390(D) CB :: 28.960(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 :: 7.774(D) HA :: 3.761(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.620(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.Q165 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 W 0.16 E 0.11 R 0.11 H 0.09 V 0.08 K 0.07 Q 0.05 M 0.05 I 0.02 C Shift Assignments>> C :: 179.009 CA :: 59.540(D) CB :: 31.010(D) Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.296(D) HA :: 3.887(D) HB2 :: 2.124 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.777(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.I166 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.8 C 0.19 C Shift Assignments>> C :: 176.885 CA :: 64.840(D) CB :: 38.100(D) CG2 :: 17.530(D) CD1 :: 16.130(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 :: 8.159(D) HA :: 3.581(D) HB :: 1.850(D) HG21 :: 0.974(D) HG22 :: 0.974(D) HG23 :: 0.974(D) HD11 :: 0.567(D) HD12 :: 0.567(D) HD13 :: 0.567(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 :: 121.353(D) Ave N Shift Values>> N :: 121.46(4.28) 2.N167 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.52 C 0.14 Y 0.08 D 0.08 F 0.06 E 0.03 M 0.02 L 0.02 HN Overlap>> 1.D53 1.D53 C Shift Assignments>> C :: 174.809 CA :: 53.450(D) CB :: 37.800(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 :: 7.888(D) HA :: 4.581(D) HB2 :: 2.923(D) HB3 :: 2.754(D) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.029(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.R168 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.45 R 0.41 G 0.11 K 0.01 C Shift Assignments>> CA :: 58.980(D) CB :: 30.500(D) CG :: 27.210 CD :: 43.750 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 :: 7.247(D) HA :: 3.884 HB2 :: 1.795 HG2 :: 1.708 HG3 :: 1.640 HD2 :: 3.145 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.823(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) ########################################################################### Overall Results: #Consistent: 90 #Clerical: 155 #Suspicious: 16 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 244 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 17 Shift Relative Order (SRO) Results: #Consistent: 261 #Suspicious: 0 C Shift Results: #Consistent: 418 #Duplicate: 473 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 H Shift Results: #Consistent: 527 #Duplicate: 893 #Unknown: 0 #Suspicious: 21 #Anomalous: 0 N Shift Results: #Consistent: 76 #Duplicate: 159 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.M8 CA = 55.450(D), Expected = 56.11, Std = 2.2300, ChiSquare = 7.6726e-01 1.M8 CB = 33.800(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.1765e-01 1.M8 CG = 30.790(D), Expected = 32.01, Std = 1.2400, ChiSquare = 3.2518e-01 1.M8 HA = 4.353(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.0547e-01 1.M8 HB2 = 1.833(D), Expected = 2.03, Std = 0.3400, ChiSquare = 5.6231e-01 1.M8 HG2 = 2.239(D), Expected = 2.42, Std = 0.3500, ChiSquare = 6.0506e-01 1.L13 CA = 52.240(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.1255e-01 1.L13 CB = 43.300(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.9847e-01 1.L13 CG = 24.644(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.2159e-02 1.L13 CD1 = 26.990(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.5339e-01 1.L13 CD2 = 22.510(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.6500e-01 1.L13 H = 9.301(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.9416e-02 1.L13 HA = 5.049(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.2089e-01 1.L13 HB2 = 1.740(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.0220e-01 1.L13 HB3 = 0.986(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.3799e-01 1.L13 HG = 1.582(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.2729e-01 1.L13 HD11 = 0.854(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1032e-01 1.L13 HD12 = 0.854(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1032e-01 1.L13 HD13 = 0.854(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.1032e-01 1.L13 HD21 = 0.563(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6471e-01 1.L13 HD22 = 0.563(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6471e-01 1.L13 HD23 = 0.563(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6471e-01 1.L13 N = 125.260(D), Expected = 121.86, Std = 3.9000, ChiSquare = 3.8332e-01 1.V21 CA = 63.020(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.5298e-01 1.V21 CB = 31.790(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.9949e-01 1.V21 CG1 = 21.680(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.8889e-01 1.V21 CG2 = 17.600(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.8968e-02 1.V21 H = 7.508(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.4314e-01 1.V21 HA = 3.833(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.3821e-01 1.V21 HB = 1.910(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.2684e-01 1.V21 HG11 = 1.025(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.5325e-01 1.V21 HG12 = 1.025(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.5325e-01 1.V21 HG13 = 1.025(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.5325e-01 1.V21 HG21 = 0.928(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4757e-01 1.V21 HG22 = 0.928(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4757e-01 1.V21 HG23 = 0.928(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4757e-01 1.V21 N = 113.000(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.2981e-02 1.I43 CA = 61.840(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.3161e-01 1.I43 CB = 38.150(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.1217e-01 1.I43 CG1 = 27.200(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.6145e-01 1.I43 CG2 = 17.070(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.3519e-01 1.I43 CD1 = 12.450(D), Expected = 13.43, Std = 1.6700, ChiSquare = 5.5732e-01 1.I43 H = 6.777(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.7085e-02 1.I43 HA = 3.959(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.9311e-01 1.I43 HB = 1.655(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.6644e-01 1.I43 HG12 = 1.261(D), Expected = 1.28, Std = 0.4000, ChiSquare = 9.6211e-01 1.I43 HG13 = 0.939(D), Expected = 1.19, Std = 0.4100, ChiSquare = 5.4041e-01 1.I43 HG21 = 0.779(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.7341e-01 1.I43 HG22 = 0.779(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.7341e-01 1.I43 HG23 = 0.779(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.7341e-01 1.I43 HD11 = 0.604(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.9327e-01 1.I43 HD12 = 0.604(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.9327e-01 1.I43 HD13 = 0.604(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.9327e-01 1.I43 N = 120.251(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.7758e-01 1.G72 N = 130.826(S), Expected = 109.67, Std = 3.8700, ChiSquare = 4.5858e-08 1.K73 HD2 = 0.826(S), Expected = 1.61, Std = 0.2200, ChiSquare = 3.6575e-04 1.K73 HD3 = 0.440(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.3441e-07 1.K73 HE2 = 2.201(S), Expected = 2.92, Std = 0.1900, ChiSquare = 1.5420e-04 1.D76 CA = 57.470(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.7086e-01 1.D76 CB = 39.450(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.7739e-01 1.D76 H = 8.062(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.6895e-01 1.D76 HA = 4.085(D), Expected = 4.59, Std = 0.3200, ChiSquare = 1.1454e-01 1.D76 HB2 = 2.549(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.1074e-01 1.D76 HB3 = 2.457(D), Expected = 2.66, Std = 0.2800, ChiSquare = 4.6845e-01 1.D76 N = 118.200(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.2561e-01 1.Y78 CA = 58.920(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.5296e-01 1.Y78 CB = 36.800(D), Expected = 39.32, Std = 2.1600, ChiSquare = 2.4334e-01 1.Y78 H = 7.793(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.7035e-01 1.Y78 HA = 4.446(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.4248e-01 1.Y78 HB2 = 3.155(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.0787e-01 1.Y78 HB3 = 2.878(D), Expected = 2.84, Std = 0.3900, ChiSquare = 9.2238e-01 1.Y78 N = 116.770(D), Expected = 120.52, Std = 4.2000, ChiSquare = 3.7193e-01 1.M79 CA = 59.130(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.7565e-01 1.M79 CB = 32.020(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.6499e-01 1.M79 CG = 34.030(D), Expected = 32.01, Std = 1.2400, ChiSquare = 1.0331e-01 1.M79 H = 8.266(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.9202e-01 1.M79 HA = 4.383(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.5514e-01 1.M79 HB2 = 2.054(D), Expected = 2.03, Std = 0.3400, ChiSquare = 9.4373e-01 1.M79 HG2 = 2.159(D), Expected = 2.42, Std = 0.3500, ChiSquare = 4.5584e-01 1.M79 N = 119.649(D), Expected = 120.09, Std = 3.5700, ChiSquare = 9.0169e-01 1.R89 HD3 = 2.234(S), Expected = 3.10, Std = 0.2600, ChiSquare = 8.6606e-04 1.K90 CD = 24.634(S), Expected = 28.96, Std = 1.0800, ChiSquare = 6.1872e-05 1.K91 HG2 = 0.476(S), Expected = 1.37, Std = 0.2600, ChiSquare = 5.8503e-04 1.K91 HG3 = 0.299(S), Expected = 1.35, Std = 0.2800, ChiSquare = 1.7433e-04 1.K91 HE2 = 2.265(S), Expected = 2.92, Std = 0.1900, ChiSquare = 5.6608e-04 2.R3 CA = 56.520(D), Expected = 56.77, Std = 2.3100, ChiSquare = 9.1382e-01 2.R3 CB = 31.170(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.9731e-01 2.R3 CG = 26.960(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.3497e-01 2.R3 CD = 43.280(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.9153e-01 2.R3 H = 8.541(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.2170e-01 2.R3 HA = 4.078(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.2937e-01 2.R3 HB2 = 1.670(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.5672e-01 2.R3 HB3 = 1.595(D), Expected = 1.76, Std = 0.2800, ChiSquare = 5.5567e-01 2.R3 HG2 = 1.508(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.1838e-01 2.R3 HG3 = 1.229(D), Expected = 1.54, Std = 0.2900, ChiSquare = 2.8353e-01 2.R3 HD2 = 3.063(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.1227e-01 2.R3 HD3 = 3.019(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.5539e-01 2.R3 N = 126.521(D), Expected = 120.80, Std = 3.6800, ChiSquare = 1.2004e-01 2.E4 CA = 54.320(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.5117e-01 2.E4 CB = 31.460(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.9922e-01 2.E4 CG = 36.520(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.3044e-01 2.E4 H = 8.055(D), Expected = 8.33, Std = 0.5900, ChiSquare = 6.4114e-01 2.E4 HA = 5.356(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.9849e-03 2.E4 HB2 = 1.814(D), Expected = 2.02, Std = 0.2100, ChiSquare = 3.2662e-01 2.E4 HB3 = 1.730(D), Expected = 1.99, Std = 0.2300, ChiSquare = 2.5829e-01 2.E4 HG2 = 2.123(D), Expected = 2.27, Std = 0.2100, ChiSquare = 4.8393e-01 2.E4 HG3 = 1.891(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.0272e-01 2.E4 N = 122.896(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.2240e-01 2.Y5 CA = 56.300(D), Expected = 58.13, Std = 2.5100, ChiSquare = 4.6595e-01 2.Y5 CB = 40.920(D), Expected = 39.32, Std = 2.1600, ChiSquare = 4.5885e-01 2.Y5 H = 8.703(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.9982e-01 2.Y5 HA = 4.959(D), Expected = 4.63, Std = 0.5600, ChiSquare = 5.5687e-01 2.Y5 HB2 = 2.697(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.6483e-01 2.Y5 HB3 = 2.388(D), Expected = 2.84, Std = 0.3900, ChiSquare = 2.4647e-01 2.Y5 N = 122.206(D), Expected = 120.52, Std = 4.2000, ChiSquare = 6.8810e-01 2.K6 CA = 55.950(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.4944e-01 2.K6 CB = 31.990(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.5312e-01 2.K6 CG = 24.740(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.9440e-01 2.K6 CD = 28.860(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.2623e-01 2.K6 CE = 41.700(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.1677e-01 2.K6 H = 8.699(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.9625e-01 2.K6 HA = 4.887(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.6083e-01 2.K6 HB2 = 1.714(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.9178e-01 2.K6 HB3 = 1.559(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.0262e-01 2.K6 HG2 = 1.355(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.5399e-01 2.K6 HG3 = 1.243(D), Expected = 1.35, Std = 0.2800, ChiSquare = 7.0236e-01 2.K6 HD2 = 1.483(D), Expected = 1.61, Std = 0.2200, ChiSquare = 5.6376e-01 2.K6 HE2 = 2.799(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.2423e-01 2.K6 N = 123.473(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.2042e-01 2.V8 CA = 61.570(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.4770e-01 2.V8 CB = 34.580(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.0136e-01 2.V8 CG1 = 21.900(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.6306e-01 2.V8 CG2 = 21.180(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.5910e-01 2.V8 H = 7.993(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.5756e-01 2.V8 HA = 4.545(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.4049e-01 2.V8 HB = 1.888(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.7373e-01 2.V8 HG11 = 0.894(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0556e-01 2.V8 HG12 = 0.894(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0556e-01 2.V8 HG13 = 0.894(D), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0556e-01 2.V8 HG21 = 0.710(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.4789e-01 2.V8 HG22 = 0.710(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.4789e-01 2.V8 HG23 = 0.710(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.4789e-01 2.V8 N = 122.101(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.3236e-01 2.V9 CA = 62.090(D), Expected = 62.49, Std = 2.8600, ChiSquare = 8.8877e-01 2.V9 CB = 32.070(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.1234e-01 2.V9 CG1 = 22.450(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.8026e-01 2.V9 CG2 = 19.800(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.4933e-01 2.V9 H = 8.858(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.9657e-01 2.V9 HA = 4.617(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.6161e-01 2.V9 HG11 = 0.837(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.7852e-01 2.V9 HG12 = 0.837(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.7852e-01 2.V9 HG13 = 0.837(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.7852e-01 2.V9 HG21 = 0.704(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3171e-01 2.V9 HG22 = 0.704(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3171e-01 2.V9 HG23 = 0.704(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3171e-01 2.V9 N = 128.239(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.1790e-01 2.L10 CA = 53.710(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.6987e-01 2.L10 CB = 46.800(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.6927e-02 2.L10 CD1 = 24.730(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.9498e-01 2.L10 CD2 = 28.460(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.4834e-03 2.L10 H = 9.413(D), Expected = 8.23, Std = 0.6500, ChiSquare = 6.8759e-02 2.L10 HA = 4.590(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.6565e-01 2.L10 HB2 = 1.799(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.7829e-01 2.L10 HB3 = 1.685(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.4671e-01 2.L10 HD11 = 1.048(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.8720e-01 2.L10 HD12 = 1.048(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.8720e-01 2.L10 HD13 = 1.048(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.8720e-01 2.L10 HD21 = 0.949(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.5015e-01 2.L10 HD22 = 0.949(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.5015e-01 2.L10 HD23 = 0.949(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.5015e-01 2.L10 N = 127.701(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.3421e-01 2.G11 CA = 44.230(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.0326e-01 2.G11 H = 7.986(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.9665e-01 2.G11 HA2 = 4.909(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.1154e-02 2.G11 HA3 = 3.713(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.1327e-01 2.G11 N = 106.271(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.7978e-01 2.S12 CA = 59.570(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.8135e-01 2.S12 CB = 63.080(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.2662e-01 2.S12 H = 9.997(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.6123e-03 2.S12 HA = 4.320(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.8916e-01 2.S12 HB2 = 4.096(D), Expected = 3.88, Std = 0.2500, ChiSquare = 3.8759e-01 2.S12 HB3 = 3.584(D), Expected = 3.85, Std = 0.2700, ChiSquare = 3.2453e-01 2.S12 N = 119.969(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.9463e-01 2.V13 CA = 64.380(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.0872e-01 2.V13 CB = 31.620(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.3518e-01 2.V13 CG1 = 22.400(D), Expected = 21.49, Std = 1.3600, ChiSquare = 5.0342e-01 2.V13 CG2 = 20.180(D), Expected = 21.26, Std = 1.5600, ChiSquare = 4.8874e-01 2.V13 H = 8.303(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.8452e-01 2.V13 HA = 3.896(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.1223e-01 2.V13 HB = 1.980(D), Expected = 1.98, Std = 0.3200, ChiSquare = 1.0000e+00 2.V13 HG11 = 1.087(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.2293e-01 2.V13 HG12 = 1.087(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.2293e-01 2.V13 HG13 = 1.087(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.2293e-01 2.V13 HG21 = 0.885(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.6145e-01 2.V13 HG22 = 0.885(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.6145e-01 2.V13 HG23 = 0.885(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.6145e-01 2.V13 N = 122.254(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0617e-01 2.G14 CA = 45.400(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7024e-01 2.G14 H = 10.589(S), Expected = 8.33, Std = 0.6500, ChiSquare = 5.1012e-04 2.G14 HA2 = 4.112(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.0114e-01 2.G14 HA3 = 3.940(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.1391e-01 2.G14 N = 116.335(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5029e-02 2.G16 CA = 45.740(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.7102e-01 2.G16 H = 8.416(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.9474e-01 2.G16 HA2 = 4.572(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.0373e-01 2.G16 HA3 = 4.250(D), Expected = 3.90, Std = 0.3700, ChiSquare = 3.4418e-01 2.G16 N = 108.432(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.4905e-01 2.K17 CA = 61.000(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.5635e-02 2.K17 CB = 29.370(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.4688e-02 2.K17 H = 10.381(S), Expected = 8.19, Std = 0.6000, ChiSquare = 2.6054e-04 2.K17 HA = 3.473(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.0085e-02 2.K17 N = 125.252(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.6503e-01 2.S18 CA = 61.020(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.6652e-01 2.S18 H = 9.186(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.2464e-01 2.S18 HA = 4.076(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.1250e-01 2.S18 N = 120.736(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.0555e-01 2.A19 CA = 54.120(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.2064e-01 2.A19 CB = 18.280(D), Expected = 19.01, Std = 1.8300, ChiSquare = 6.8996e-01 2.A19 H = 9.428(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.0691e-02 2.A19 HA = 3.788(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.8339e-01 2.A19 HB1 = 1.285(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.0259e-01 2.A19 HB2 = 1.285(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.0259e-01 2.A19 HB3 = 1.285(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.0259e-01 2.A19 N = 124.986(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.1986e-01 2.L20 CA = 58.670(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.5217e-01 2.L20 CB = 42.900(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.5365e-01 2.L20 CG = 27.220(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.8916e-01 2.L20 CD1 = 23.290(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.6846e-01 2.L20 CD2 = 25.450(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.1021e-01 2.L20 H = 9.079(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.9150e-01 2.L20 HA = 3.824(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.9128e-01 2.L20 HB2 = 2.133(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.2399e-01 2.L20 HB3 = 1.037(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.7970e-01 2.L20 HG = 1.860(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.8887e-01 2.L20 HD11 = 0.738(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.6582e-01 2.L20 HD12 = 0.738(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.6582e-01 2.L20 HD13 = 0.738(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.6582e-01 2.L20 HD21 = 0.540(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 2.L20 HD22 = 0.540(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 2.L20 HD23 = 0.540(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.1236e-01 2.L20 N = 120.668(D), Expected = 121.86, Std = 3.9000, ChiSquare = 7.5988e-01 2.T21 CA = 58.850(D), Expected = 62.22, Std = 2.5900, ChiSquare = 1.9320e-01 2.T21 CB = 67.870(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.5383e-01 2.T21 H = 7.758(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.3691e-01 2.T21 N = 117.020(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.3624e-01 2.Q23 HA = 4.193(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.6108e-01 2.F24 CA = 60.980(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.5915e-01 2.F24 CB = 39.200(D), Expected = 39.99, Std = 2.0900, ChiSquare = 7.0544e-01 2.F24 H = 8.151(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.7160e-01 2.F24 HA = 4.040(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.0063e-01 2.F24 HB2 = 2.992(D), Expected = 3.00, Std = 0.3700, ChiSquare = 9.8275e-01 2.F24 HB3 = 2.702(D), Expected = 2.93, Std = 0.4000, ChiSquare = 5.6868e-01 2.F24 N = 119.140(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.5398e-01 2.V25 CA = 66.180(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9698e-01 2.V25 CB = 32.180(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.5864e-01 2.V25 CG1 = 21.720(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.6570e-01 2.V25 CG2 = 22.600(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.9035e-01 2.V25 H = 8.587(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.5756e-01 2.V25 HA = 3.085(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.6758e-02 2.V25 HB = 1.685(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.5659e-01 2.V25 HG11 = 0.860(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0814e-01 2.V25 HG12 = 0.860(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0814e-01 2.V25 HG13 = 0.860(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0814e-01 2.V25 HG21 = 0.730(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0259e-01 2.V25 HG22 = 0.730(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0259e-01 2.V25 HG23 = 0.730(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0259e-01 2.V25 N = 114.714(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.5695e-01 2.Q26 CA = 55.620(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.5710e-01 2.Q26 CB = 30.730(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.9747e-01 2.Q26 CG = 33.710(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.6407e-01 2.Q26 H = 8.741(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.7721e-01 2.Q26 HA = 4.374(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.1315e-01 2.Q26 HB2 = 2.239(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.4965e-01 2.Q26 HB3 = 2.054(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.0335e-01 2.Q26 HG2 = 2.155(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.4113e-01 2.Q26 HG3 = 1.833(D), Expected = 2.29, Std = 0.2900, ChiSquare = 1.1506e-01 2.Q26 N = 116.480(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.4353e-01 2.G27 CA = 46.750(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.9613e-01 2.G27 H = 7.816(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.2908e-01 2.G27 HA2 = 4.316(D), Expected = 3.97, Std = 0.3700, ChiSquare = 3.4972e-01 2.G27 HA3 = 3.770(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.2532e-01 2.G27 N = 109.403(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.4500e-01 2.I28 CA = 58.480(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.4284e-01 2.I28 CB = 42.040(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.1388e-02 2.I28 CG1 = 25.720(D), Expected = 27.71, Std = 1.6800, ChiSquare = 2.3621e-01 2.I28 CG2 = 17.390(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.1801e-01 2.I28 CD1 = 13.250(D), Expected = 13.43, Std = 1.6700, ChiSquare = 9.1417e-01 2.I28 H = 6.416(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.1220e-03 2.I28 HA = 4.464(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.1205e-01 2.I28 HB = 1.489(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.1564e-01 2.I28 HG12 = 1.048(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.6191e-01 2.I28 HG21 = 0.676(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2773e-01 2.I28 HG22 = 0.676(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2773e-01 2.I28 HG23 = 0.676(D), Expected = 0.77, Std = 0.2700, ChiSquare = 7.2773e-01 2.I28 HD11 = 0.601(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.8530e-01 2.I28 HD12 = 0.601(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.8530e-01 2.I28 HD13 = 0.601(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.8530e-01 2.I28 N = 111.467(D), Expected = 121.46, Std = 4.2800, ChiSquare = 1.9553e-02 2.F29 CA = 55.130(D), Expected = 58.08, Std = 2.5700, ChiSquare = 2.5103e-01 2.F29 CB = 39.670(D), Expected = 39.99, Std = 2.0900, ChiSquare = 8.7831e-01 2.F29 H = 8.343(D), Expected = 8.36, Std = 0.7200, ChiSquare = 9.8116e-01 2.F29 HA = 5.031(D), Expected = 4.63, Std = 0.5700, ChiSquare = 4.8174e-01 2.F29 HB2 = 2.828(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.4203e-01 2.F29 HB3 = 2.728(D), Expected = 2.93, Std = 0.4000, ChiSquare = 6.1356e-01 2.F29 N = 122.199(D), Expected = 120.45, Std = 4.1800, ChiSquare = 6.7564e-01 2.V30 CA = 59.540(D), Expected = 62.49, Std = 2.8600, ChiSquare = 3.0232e-01 2.V30 CB = 32.400(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.5373e-01 2.V30 CG1 = 22.030(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.9132e-01 2.V30 CG2 = 18.420(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.8681e-02 2.V30 H = 7.933(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.9415e-01 2.V30 HA = 3.932(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.5644e-01 2.V30 HB = 1.730(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.3466e-01 2.V30 HG11 = 0.681(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.6659e-01 2.V30 HG12 = 0.681(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.6659e-01 2.V30 HG13 = 0.681(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.6659e-01 2.V30 HG21 = 0.581(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.3413e-01 2.V30 HG22 = 0.581(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.3413e-01 2.V30 HG23 = 0.581(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.3413e-01 2.V30 N = 125.134(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.7900e-01 2.E31 CA = 57.050(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.9721e-01 2.E31 CB = 30.450(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.9809e-01 2.E31 CG = 36.640(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.5605e-01 2.E31 H = 7.976(D), Expected = 8.33, Std = 0.5900, ChiSquare = 5.4851e-01 2.E31 HA = 3.716(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.9277e-01 2.E31 HB2 = 1.866(D), Expected = 2.02, Std = 0.2100, ChiSquare = 4.6336e-01 2.E31 HB3 = 1.690(D), Expected = 1.99, Std = 0.2300, ChiSquare = 1.9211e-01 2.E31 HG2 = 1.993(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.8715e-01 2.E31 N = 123.418(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.2973e-01 2.K32 CA = 55.080(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.9533e-01 2.K32 CB = 32.700(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.5967e-01 2.K32 CG = 24.460(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.0355e-01 2.K32 CD = 28.900(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.5570e-01 2.K32 CE = 41.680(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.9788e-01 2.K32 H = 7.864(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.8690e-01 2.K32 HA = 4.329(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.9333e-01 2.K32 HB2 = 1.800(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.3624e-01 2.K32 HB3 = 1.714(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.2329e-01 2.K32 HG2 = 1.307(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.0854e-01 2.K32 HG3 = 1.206(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.0705e-01 2.K32 HD2 = 1.557(D), Expected = 1.61, Std = 0.2200, ChiSquare = 8.0963e-01 2.K32 HE2 = 2.864(D), Expected = 2.92, Std = 0.1900, ChiSquare = 7.6819e-01 2.K32 N = 119.900(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.6034e-01 2.Y33 CA = 58.500(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.8281e-01 2.Y33 CB = 39.300(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.9261e-01 2.Y33 H = 8.676(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.2578e-01 2.Y33 HA = 4.148(D), Expected = 4.63, Std = 0.5600, ChiSquare = 3.8940e-01 2.Y33 HB2 = 2.754(D), Expected = 2.91, Std = 0.3700, ChiSquare = 6.7330e-01 2.Y33 HB3 = 2.558(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.6963e-01 2.Y33 N = 126.478(D), Expected = 120.52, Std = 4.2000, ChiSquare = 1.5602e-01 2.D34 CA = 52.600(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.0322e-01 2.D34 CB = 41.380(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.5759e-01 2.D34 H = 8.092(D), Expected = 8.31, Std = 0.5800, ChiSquare = 7.0702e-01 2.D34 HA = 4.524(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.3660e-01 2.D34 HB2 = 2.491(D), Expected = 2.72, Std = 0.2600, ChiSquare = 3.7844e-01 2.D34 HB3 = 2.345(D), Expected = 2.66, Std = 0.2800, ChiSquare = 2.6059e-01 2.D34 N = 129.955(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.5925e-02 2.P35 CA = 63.789(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.6267e-01 2.P35 CB = 32.757(D), Expected = 31.85, Std = 1.1800, ChiSquare = 4.4210e-01 2.P35 CG = 26.690(D), Expected = 27.17, Std = 1.0900, ChiSquare = 6.5967e-01 2.P35 CD = 53.580(S), Expected = 50.32, Std = 0.9900, ChiSquare = 9.9149e-04 2.P35 HA = 4.770(D), Expected = 4.40, Std = 0.3300, ChiSquare = 2.6220e-01 2.P35 HB2 = 2.574(D), Expected = 2.08, Std = 0.3500, ChiSquare = 1.5812e-01 2.P35 HG2 = 2.058(D), Expected = 1.93, Std = 0.3100, ChiSquare = 6.7968e-01 2.P35 HG3 = 1.913(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.6858e-01 2.T36 CA = 62.070(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.5382e-01 2.T36 CB = 69.880(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.2668e-01 2.T36 CG2 = 21.380(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.7828e-01 2.T36 H = 8.911(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.7914e-01 2.T36 HA = 4.220(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.1707e-01 2.T36 HB = 4.594(D), Expected = 4.17, Std = 0.3300, ChiSquare = 1.9885e-01 2.T36 HG21 = 0.912(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.2154e-01 2.T36 HG22 = 0.912(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.2154e-01 2.T36 HG23 = 0.912(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.2154e-01 2.T36 N = 109.782(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.3525e-01 2.E38 CA = 54.360(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.5670e-01 2.E38 CB = 31.930(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.6430e-01 2.E38 CG = 36.560(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.0532e-01 2.E38 H = 8.122(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.2443e-01 2.E38 HA = 4.860(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.3680e-01 2.E38 HB2 = 1.777(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.4721e-01 2.E38 HB3 = 1.582(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.6078e-02 2.E38 HG2 = 2.280(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.6202e-01 2.E38 N = 131.686(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.5481e-03 2.D39 CA = 52.530(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.8731e-01 2.D39 CB = 43.350(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.2734e-01 2.D39 H = 8.170(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.0926e-01 2.D39 HA = 4.698(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.3574e-01 2.D39 HB2 = 2.370(D), Expected = 2.72, Std = 0.2600, ChiSquare = 1.7825e-01 2.D39 HB3 = 2.277(D), Expected = 2.66, Std = 0.2800, ChiSquare = 1.7136e-01 2.D39 N = 124.885(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.7258e-01 2.S40 CA = 56.360(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.5425e-01 2.S40 CB = 65.050(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.9834e-01 2.S40 H = 8.288(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.8918e-01 2.S40 HA = 5.437(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.6734e-02 2.S40 HB2 = 3.425(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.8759e-02 2.S40 N = 113.799(D), Expected = 116.28, Std = 3.5200, ChiSquare = 4.8092e-01 2.Y41 CA = 56.640(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.5276e-01 2.Y41 CB = 42.470(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.4475e-01 2.Y41 H = 8.943(D), Expected = 8.32, Std = 0.7300, ChiSquare = 3.9342e-01 2.Y41 HA = 4.482(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.9156e-01 2.Y41 HB2 = 2.791(D), Expected = 2.91, Std = 0.3700, ChiSquare = 7.4774e-01 2.Y41 HB3 = 2.442(D), Expected = 2.84, Std = 0.3900, ChiSquare = 3.0749e-01 2.Y41 N = 122.977(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.5855e-01 2.R42 CA = 54.520(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.3004e-01 2.R42 CB = 33.150(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.8064e-01 2.R42 CG = 27.790(D), Expected = 27.21, Std = 1.2000, ChiSquare = 6.2886e-01 2.R42 CD = 43.210(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.5469e-01 2.R42 H = 8.444(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.3806e-01 2.R42 HA = 5.545(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.7992e-03 2.R42 HB2 = 1.800(D), Expected = 1.79, Std = 0.2700, ChiSquare = 9.7046e-01 2.R42 HG2 = 1.523(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.6181e-01 2.R42 HG3 = 1.453(D), Expected = 1.54, Std = 0.2900, ChiSquare = 7.6418e-01 2.R42 HD2 = 3.128(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.7341e-01 2.R42 HD3 = 2.987(D), Expected = 3.10, Std = 0.2600, ChiSquare = 6.6384e-01 2.R42 N = 120.858(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.8743e-01 2.K43 CA = 55.790(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.9800e-01 2.K43 CB = 37.680(D), Expected = 32.79, Std = 1.7800, ChiSquare = 6.0108e-03 2.K43 CG = 24.520(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.4334e-01 2.K43 CD = 29.540(D), Expected = 28.96, Std = 1.0800, ChiSquare = 5.9124e-01 2.K43 CE = 41.650(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.6976e-01 2.K43 H = 8.794(D), Expected = 8.19, Std = 0.6000, ChiSquare = 3.1410e-01 2.K43 HA = 4.266(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.9275e-01 2.K43 HB2 = 1.416(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.4539e-01 2.K43 HB3 = 1.368(D), Expected = 1.74, Std = 0.2700, ChiSquare = 1.6827e-01 2.K43 HG2 = 0.889(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.4314e-02 2.K43 HD2 = 1.178(D), Expected = 1.61, Std = 0.2200, ChiSquare = 4.9572e-02 2.K43 HD3 = 0.795(S), Expected = 1.60, Std = 0.2200, ChiSquare = 2.5311e-04 2.K43 HE2 = 2.596(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.8145e-02 2.K43 HE3 = 2.446(D), Expected = 2.91, Std = 0.2000, ChiSquare = 2.0341e-02 2.K43 N = 123.304(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.4992e-01 2.Q44 CA = 55.370(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.7497e-01 2.Q44 CB = 29.060(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.4306e-01 2.Q44 CG = 33.570(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.6409e-01 2.Q44 H = 8.678(D), Expected = 8.22, Std = 0.5900, ChiSquare = 4.3759e-01 2.Q44 HA = 5.266(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.3596e-02 2.Q44 HB2 = 1.904(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.5922e-01 2.Q44 HB3 = 1.844(D), Expected = 2.02, Std = 0.2800, ChiSquare = 5.2963e-01 2.Q44 HG2 = 2.265(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.3859e-01 2.Q44 HG3 = 2.151(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.3172e-01 2.Q44 N = 130.070(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.6872e-03 2.V45 CA = 59.160(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.4429e-01 2.V45 CB = 35.720(D), Expected = 32.73, Std = 1.7900, ChiSquare = 9.4842e-02 2.V45 CG1 = 22.450(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.8026e-01 2.V45 CG2 = 19.820(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.5597e-01 2.V45 H = 8.931(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.3871e-01 2.V45 HA = 4.626(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.5222e-01 2.V45 HB = 2.104(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.9839e-01 2.V45 HG11 = 0.862(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0205e-01 2.V45 HG12 = 0.862(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0205e-01 2.V45 HG13 = 0.862(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0205e-01 2.V45 HG21 = 0.706(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3709e-01 2.V45 HG22 = 0.706(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3709e-01 2.V45 HG23 = 0.706(D), Expected = 0.80, Std = 0.2800, ChiSquare = 7.3709e-01 2.V45 N = 120.493(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.8668e-01 2.E46 CA = 54.700(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.0999e-01 2.E46 CB = 30.990(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.6884e-01 2.E46 CG = 36.400(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.0747e-01 2.E46 H = 8.201(D), Expected = 8.33, Std = 0.5900, ChiSquare = 8.2693e-01 2.E46 HA = 4.869(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.3111e-01 2.E46 HG2 = 1.753(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.3820e-02 2.E46 HG3 = 1.659(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.2234e-03 2.E46 N = 123.049(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.9421e-01 2.V47 CA = 61.310(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.7991e-01 2.V47 CB = 33.530(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.5493e-01 2.V47 CG1 = 20.480(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.5770e-01 2.V47 CG2 = 20.680(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.1005e-01 2.V47 H = 8.305(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.8214e-01 2.V47 HA = 3.716(D), Expected = 4.19, Std = 0.5800, ChiSquare = 4.1379e-01 2.V47 HB = 1.673(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.3737e-01 2.V47 HG11 = 0.479(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.7702e-01 2.V47 HG12 = 0.479(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.7702e-01 2.V47 HG13 = 0.479(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.7702e-01 2.V47 HG21 = 0.251(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9912e-02 2.V47 HG22 = 0.251(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9912e-02 2.V47 HG23 = 0.251(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.9912e-02 2.V47 N = 125.311(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.5824e-01 2.D48 CA = 55.810(D), Expected = 54.69, Std = 2.0300, ChiSquare = 5.8114e-01 2.D48 CB = 38.280(D), Expected = 40.88, Std = 1.6200, ChiSquare = 1.0851e-01 2.D48 H = 9.223(D), Expected = 8.31, Std = 0.5800, ChiSquare = 1.1546e-01 2.D48 HA = 4.049(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.0908e-02 2.D48 HB2 = 2.673(D), Expected = 2.72, Std = 0.2600, ChiSquare = 8.5655e-01 2.D48 HB3 = 2.537(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.6045e-01 2.D48 N = 129.840(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.7274e-02 2.A49 CA = 53.090(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.7985e-01 2.A49 CB = 17.070(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.8909e-01 2.A49 H = 8.543(D), Expected = 8.20, Std = 0.6000, ChiSquare = 5.6755e-01 2.A49 HA = 3.806(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.0216e-01 2.A49 HB1 = 1.389(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8076e-01 2.A49 HB2 = 1.389(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8076e-01 2.A49 HB3 = 1.389(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8076e-01 2.A49 N = 113.005(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.8718e-03 2.Q50 CA = 53.760(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.8915e-01 2.Q50 CB = 30.640(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.2562e-01 2.Q50 CG = 33.220(D), Expected = 33.76, Std = 1.1100, ChiSquare = 6.2662e-01 2.Q50 H = 7.597(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.9100e-01 2.Q50 HA = 4.563(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.0547e-01 2.Q50 HB2 = 1.994(D), Expected = 2.05, Std = 0.2500, ChiSquare = 8.2276e-01 2.Q50 HB3 = 1.798(D), Expected = 2.02, Std = 0.2800, ChiSquare = 4.2786e-01 2.Q50 HG2 = 2.253(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.0402e-01 2.Q50 N = 118.040(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.0733e-01 2.Q51 CA = 55.770(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.0853e-01 2.Q51 CB = 28.260(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.0936e-01 2.Q51 CG = 32.810(D), Expected = 33.76, Std = 1.1100, ChiSquare = 3.9208e-01 2.Q51 H = 8.794(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.3061e-01 2.Q51 HA = 4.428(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.1953e-01 2.Q51 HB2 = 1.940(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.5994e-01 2.Q51 HG2 = 2.325(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.8523e-01 2.Q51 N = 123.304(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.4296e-01 2.C52 CA = 57.550(D), Expected = 58.30, Std = 3.3300, ChiSquare = 8.2180e-01 2.C52 CB = 31.240(D), Expected = 32.49, Std = 6.0100, ChiSquare = 8.3524e-01 2.C52 H = 9.055(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.2094e-01 2.C52 HA = 4.905(D), Expected = 4.66, Std = 0.5500, ChiSquare = 6.5599e-01 2.C52 HB2 = 2.771(D), Expected = 2.96, Std = 0.4400, ChiSquare = 6.6753e-01 2.C52 HB3 = 2.545(D), Expected = 2.89, Std = 0.4600, ChiSquare = 4.5325e-01 2.C52 N = 121.646(D), Expected = 120.17, Std = 4.6400, ChiSquare = 7.5041e-01 2.M53 CA = 53.230(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.9654e-01 2.M53 CB = 31.230(D), Expected = 32.99, Std = 2.2400, ChiSquare = 4.3204e-01 2.M53 H = 8.927(D), Expected = 8.26, Std = 0.6000, ChiSquare = 2.6628e-01 2.M53 HA = 4.266(D), Expected = 4.41, Std = 0.4800, ChiSquare = 7.6418e-01 2.M53 N = 122.258(D), Expected = 120.09, Std = 3.5700, ChiSquare = 5.4366e-01 2.L54 CA = 58.680(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.5083e-01 2.L54 CB = 42.940(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.3754e-01 2.L54 H = 8.018(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.4431e-01 2.L54 N = 121.889(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.9407e-01 2.E55 HA = 4.914(D), Expected = 4.25, Std = 0.4100, ChiSquare = 1.0534e-01 2.I56 CA = 60.140(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.8334e-01 2.I56 CB = 40.760(D), Expected = 38.63, Std = 2.0200, ChiSquare = 2.9167e-01 2.I56 CG1 = 28.050(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.3962e-01 2.I56 CG2 = 19.800(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.5094e-02 2.I56 CD1 = 14.720(D), Expected = 13.43, Std = 1.6700, ChiSquare = 4.3985e-01 2.I56 H = 9.277(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.4260e-01 2.I56 HA = 4.392(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.0501e-01 2.I56 HB = 1.527(D), Expected = 1.78, Std = 0.2900, ChiSquare = 3.8298e-01 2.I56 HG12 = 1.231(D), Expected = 1.28, Std = 0.4000, ChiSquare = 9.0250e-01 2.I56 HG21 = 0.631(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.0668e-01 2.I56 HG22 = 0.631(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.0668e-01 2.I56 HG23 = 0.631(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.0668e-01 2.I56 HD11 = 0.250(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.3814e-01 2.I56 HD12 = 0.250(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.3814e-01 2.I56 HD13 = 0.250(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.3814e-01 2.I56 N = 126.680(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.2261e-01 2.L57 CA = 54.290(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.3236e-01 2.L57 CB = 42.600(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.7741e-01 2.L57 CG = 26.950(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.7718e-01 2.L57 CD1 = 22.590(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.8037e-01 2.L57 CD2 = 25.660(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.4361e-01 2.L57 H = 8.710(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.6023e-01 2.L57 HA = 4.563(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.0514e-01 2.L57 HB2 = 1.688(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.1855e-01 2.L57 HB3 = 1.218(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.0153e-01 2.L57 HG = 1.036(D), Expected = 1.51, Std = 0.3300, ChiSquare = 1.5090e-01 2.L57 HD11 = 0.444(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7446e-01 2.L57 HD12 = 0.444(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7446e-01 2.L57 HD13 = 0.444(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.7446e-01 2.L57 HD21 = 0.280(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2073e-01 2.L57 HD22 = 0.280(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2073e-01 2.L57 HD23 = 0.280(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.2073e-01 2.L57 N = 129.162(D), Expected = 121.86, Std = 3.9000, ChiSquare = 6.1164e-02 2.D58 CA = 52.920(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.8325e-01 2.D58 CB = 40.820(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.7046e-01 2.D58 H = 8.556(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.7146e-01 2.D58 HA = 4.653(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.4393e-01 2.D58 HB2 = 3.051(D), Expected = 2.72, Std = 0.2600, ChiSquare = 2.0299e-01 2.D58 HB3 = 2.532(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.4757e-01 2.D58 N = 129.126(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.8102e-02 2.T59 CA = 61.650(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.2581e-01 2.T59 CB = 71.690(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.2919e-01 2.T59 CG2 = 21.380(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.7828e-01 2.T59 H = 6.630(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.4104e-03 2.T59 HA = 4.256(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.7084e-01 2.T59 HB = 4.109(D), Expected = 4.17, Std = 0.3300, ChiSquare = 8.5335e-01 2.T59 HG21 = 0.918(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.3444e-01 2.T59 HG22 = 0.918(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.3444e-01 2.T59 HG23 = 0.918(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.3444e-01 2.T59 N = 110.068(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.5985e-01 2.A60 CA = 51.611(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.3998e-01 2.A60 CB = 20.987(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.8000e-01 2.A60 HA = 4.590(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.5325e-01 2.A60 HB1 = 1.243(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.8068e-01 2.A60 HB2 = 1.243(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.8068e-01 2.A60 HB3 = 1.243(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.8068e-01 2.G61 CA = 45.410(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.6429e-01 2.G61 H = 8.476(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.2228e-01 2.G61 HA2 = 4.085(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.5594e-01 2.G61 HA3 = 3.951(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.9037e-01 2.G61 N = 107.203(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.2382e-01 2.T62 CA = 61.390(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.4862e-01 2.T62 CB = 69.720(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.9511e-01 2.T62 CG2 = 21.110(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.9181e-01 2.T62 H = 7.774(D), Expected = 8.24, Std = 0.6200, ChiSquare = 4.5228e-01 2.T62 HA = 4.320(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.7054e-01 2.T62 HB = 4.402(D), Expected = 4.17, Std = 0.3300, ChiSquare = 4.8204e-01 2.T62 HG21 = 1.198(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0091e-01 2.T62 HG22 = 1.198(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0091e-01 2.T62 HG23 = 1.198(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.0091e-01 2.T62 N = 111.289(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.8447e-01 2.E63 CA = 58.090(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.1256e-01 2.E63 CB = 29.070(D), Expected = 30.01, Std = 1.7200, ChiSquare = 5.8471e-01 2.E63 CG = 36.080(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.7989e-01 2.E63 H = 8.758(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.6819e-01 2.E63 HA = 4.121(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.5304e-01 2.E63 HB2 = 1.983(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.6014e-01 2.E63 HB3 = 1.922(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.6750e-01 2.E63 HG2 = 2.227(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.3776e-01 2.E63 N = 122.120(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.7692e-01 2.Q64 CA = 57.010(D), Expected = 56.57, Std = 2.1400, ChiSquare = 8.3710e-01 2.Q64 CB = 28.620(D), Expected = 29.19, Std = 1.8200, ChiSquare = 7.5414e-01 2.Q64 CG = 33.180(D), Expected = 33.76, Std = 1.1100, ChiSquare = 6.0131e-01 2.Q64 H = 8.198(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.7026e-01 2.Q64 HA = 4.013(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.5916e-01 2.Q64 HB2 = 1.759(D), Expected = 2.05, Std = 0.2500, ChiSquare = 2.4442e-01 2.Q64 HB3 = 1.685(D), Expected = 2.02, Std = 0.2800, ChiSquare = 2.3153e-01 2.Q64 HG2 = 2.024(D), Expected = 2.32, Std = 0.2700, ChiSquare = 2.7295e-01 2.Q64 HG3 = 1.915(D), Expected = 2.29, Std = 0.2900, ChiSquare = 1.9598e-01 2.Q64 N = 119.123(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.3128e-01 2.F65 CA = 58.280(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.3797e-01 2.F65 CB = 39.030(D), Expected = 39.99, Std = 2.0900, ChiSquare = 6.4600e-01 2.F65 H = 7.893(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.1659e-01 2.F65 HA = 4.617(D), Expected = 4.63, Std = 0.5700, ChiSquare = 9.8180e-01 2.F65 HB2 = 3.283(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.4435e-01 2.F65 HB3 = 2.935(D), Expected = 2.93, Std = 0.4000, ChiSquare = 9.9003e-01 2.F65 N = 118.862(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.0402e-01 2.T66 CA = 63.640(D), Expected = 62.22, Std = 2.5900, ChiSquare = 5.8351e-01 2.T66 CB = 69.660(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.6575e-01 2.T66 CG2 = 20.880(D), Expected = 21.55, Std = 1.1100, ChiSquare = 5.4611e-01 2.T66 H = 7.961(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.5271e-01 2.T66 HA = 4.004(D), Expected = 4.46, Std = 0.4800, ChiSquare = 3.4211e-01 2.T66 HB = 4.256(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.9440e-01 2.T66 HG21 = 1.162(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.2380e-01 2.T66 HG22 = 1.162(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.2380e-01 2.T66 HG23 = 1.162(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.2380e-01 2.T66 N = 114.683(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.7670e-01 2.A67 CA = 54.520(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.8582e-01 2.A67 CB = 17.950(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.6243e-01 2.A67 H = 8.261(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.1902e-01 2.A67 HA = 4.067(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.6092e-01 2.A67 HB1 = 1.353(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.9079e-01 2.A67 HB2 = 1.353(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.9079e-01 2.A67 HB3 = 1.353(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.9079e-01 2.A67 N = 123.384(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.6530e-01 2.M68 CA = 56.340(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.1785e-01 2.M68 CB = 31.650(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.4970e-01 2.M68 CG = 32.190(D), Expected = 32.01, Std = 1.2400, ChiSquare = 8.8458e-01 2.M68 H = 7.715(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.6370e-01 2.M68 HA = 4.266(D), Expected = 4.41, Std = 0.4800, ChiSquare = 7.6418e-01 2.M68 HB2 = 1.959(D), Expected = 2.03, Std = 0.3400, ChiSquare = 8.3459e-01 2.M68 HG2 = 2.571(D), Expected = 2.42, Std = 0.3500, ChiSquare = 6.6616e-01 2.M68 HG3 = 2.482(D), Expected = 2.39, Std = 0.3800, ChiSquare = 8.0870e-01 2.M68 N = 115.920(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.4278e-01 2.R69 CA = 58.590(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.3077e-01 2.R69 CB = 29.390(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.7409e-01 2.R69 CG = 26.220(D), Expected = 27.21, Std = 1.2000, ChiSquare = 4.0937e-01 2.R69 CD = 43.190(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.7280e-01 2.R69 H = 7.527(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.4246e-01 2.R69 HA = 3.283(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.7045e-02 2.R69 HB2 = 1.681(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.8643e-01 2.R69 HG2 = 1.536(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.9979e-01 2.R69 HD2 = 3.060(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.0259e-01 2.R69 N = 120.552(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.4627e-01 2.L71 CA = 57.930(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.7814e-01 2.L71 CB = 41.330(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.0217e-01 2.L71 CG = 26.630(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.9153e-01 2.L71 CD1 = 24.100(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.9658e-01 2.L71 CD2 = 24.100(D), Expected = 24.05, Std = 1.7000, ChiSquare = 9.7654e-01 2.L71 H = 7.373(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8735e-01 2.L71 HA = 3.977(D), Expected = 4.32, Std = 0.4700, ChiSquare = 4.6552e-01 2.L71 HB2 = 1.604(D), Expected = 1.61, Std = 0.3400, ChiSquare = 9.8592e-01 2.L71 HG = 1.562(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.7479e-01 2.L71 HD11 = 0.822(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9707e-01 2.L71 HD12 = 0.822(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9707e-01 2.L71 HD13 = 0.822(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.9707e-01 2.L71 HD21 = 0.765(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.0394e-01 2.L71 HD22 = 0.765(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.0394e-01 2.L71 HD23 = 0.765(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.0394e-01 2.L71 N = 119.751(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.8867e-01 2.K74 CA = 59.710(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.0964e-01 2.K74 CB = 32.150(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.1918e-01 2.K74 CG = 25.050(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.8740e-01 2.K74 CD = 29.030(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.4832e-01 2.K74 CE = 41.780(D), Expected = 41.89, Std = 0.8200, ChiSquare = 8.9329e-01 2.K74 H = 8.107(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8998e-01 2.K74 HA = 3.725(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.1548e-01 2.K74 HB2 = 1.849(D), Expected = 1.78, Std = 0.2500, ChiSquare = 7.8255e-01 2.K74 HB3 = 1.796(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.3569e-01 2.K74 HG2 = 1.401(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.0509e-01 2.K74 HG3 = 1.306(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.7513e-01 2.K74 HD2 = 1.587(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.1674e-01 2.K74 HD3 = 1.541(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.8856e-01 2.K74 HE2 = 2.884(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.4972e-01 2.K74 HE3 = 2.804(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.9611e-01 2.K74 N = 119.135(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.1148e-01 2.N75 CA = 53.750(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.1106e-01 2.N75 CB = 38.870(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.1518e-01 2.N75 H = 7.976(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.6341e-01 2.N75 HA = 4.482(D), Expected = 4.67, Std = 0.3600, ChiSquare = 6.0152e-01 2.N75 HB2 = 2.635(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.7240e-01 2.N75 N = 113.829(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.0560e-01 2.G76 CA = 45.780(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.4829e-01 2.G76 H = 7.737(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.6161e-01 2.G76 HA2 = 3.518(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.2185e-01 2.G76 HA3 = 3.223(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.7291e-02 2.G76 N = 107.440(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.6446e-01 2.Q77 CA = 55.990(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.8637e-01 2.Q77 CB = 31.650(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.7649e-01 2.Q77 CG = 35.460(D), Expected = 33.76, Std = 1.1100, ChiSquare = 1.2564e-01 2.Q77 H = 8.912(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.4084e-01 2.Q77 HA = 4.437(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.0428e-01 2.Q77 HG2 = 2.468(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.8359e-01 2.Q77 HG3 = 2.327(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.9848e-01 2.Q77 N = 119.663(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.4972e-01 2.G78 C = 180.418(S), Expected = 173.87, Std = 1.8800, ChiSquare = 4.9587e-04 2.G78 CA = 45.240(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.3458e-01 2.G78 H = 6.863(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.4013e-02 2.G78 HA2 = 4.779(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.8780e-02 2.G78 HA3 = 3.031(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.8842e-02 2.G78 N = 101.059(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.6077e-02 2.F79 CA = 57.210(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.3497e-01 2.F79 CB = 43.060(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.4186e-01 2.F79 H = 7.746(D), Expected = 8.36, Std = 0.7200, ChiSquare = 3.9378e-01 2.F79 HA = 5.266(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.6451e-01 2.F79 HB2 = 2.690(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.0212e-01 2.F79 HB3 = 2.596(D), Expected = 2.93, Std = 0.4000, ChiSquare = 4.0372e-01 2.F79 N = 120.460(D), Expected = 120.45, Std = 4.1800, ChiSquare = 9.9809e-01 2.A80 CA = 49.510(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.6753e-02 2.A80 CB = 18.650(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.4405e-01 2.A80 H = 9.018(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.7278e-01 2.A80 HA = 5.076(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.3661e-02 2.A80 HB1 = 0.849(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3989e-02 2.A80 HB2 = 0.849(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3989e-02 2.A80 HB3 = 0.849(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3989e-02 2.A80 N = 126.848(D), Expected = 123.23, Std = 3.5400, ChiSquare = 3.0676e-01 2.L81 CA = 54.840(D), Expected = 55.62, Std = 2.1300, ChiSquare = 7.1422e-01 2.L81 CB = 41.900(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.2736e-01 2.L81 CG = 28.330(D), Expected = 26.78, Std = 1.1000, ChiSquare = 1.5881e-01 2.L81 CD1 = 25.530(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.1045e-01 2.L81 CD2 = 25.200(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.9874e-01 2.L81 H = 9.097(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.8225e-01 2.L81 HA = 4.904(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.1403e-01 2.L81 HB2 = 1.965(D), Expected = 1.61, Std = 0.3400, ChiSquare = 2.9643e-01 2.L81 HB3 = 1.175(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.3789e-01 2.L81 HG = 1.720(D), Expected = 1.51, Std = 0.3300, ChiSquare = 5.2454e-01 2.L81 HD11 = 0.746(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.8860e-01 2.L81 HD12 = 0.746(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.8860e-01 2.L81 HD13 = 0.746(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.8860e-01 2.L81 HD21 = 0.630(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3022e-01 2.L81 HD22 = 0.630(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3022e-01 2.L81 HD23 = 0.630(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3022e-01 2.L81 N = 128.234(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.0218e-01 2.V82 CA = 60.640(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.1773e-01 2.V82 CB = 33.071(D), Expected = 32.73, Std = 1.7900, ChiSquare = 8.4892e-01 2.V82 CG1 = 20.840(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.3269e-01 2.V82 CG2 = 22.510(D), Expected = 21.26, Std = 1.5600, ChiSquare = 4.2297e-01 2.V82 HA = 5.058(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.3451e-01 2.V82 HB = 1.850(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.8456e-01 2.V82 HG11 = 0.650(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8874e-01 2.V82 HG12 = 0.650(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8874e-01 2.V82 HG13 = 0.650(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8874e-01 2.V82 HG21 = 0.564(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9931e-01 2.V82 HG22 = 0.564(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9931e-01 2.V82 HG23 = 0.564(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.9931e-01 2.Y83 CA = 55.000(D), Expected = 58.13, Std = 2.5100, ChiSquare = 2.1239e-01 2.Y83 CB = 38.700(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.7408e-01 2.Y83 H = 9.301(D), Expected = 8.32, Std = 0.7300, ChiSquare = 1.7900e-01 2.Y83 HA = 4.905(D), Expected = 4.63, Std = 0.5600, ChiSquare = 6.2338e-01 2.Y83 HB2 = 3.273(D), Expected = 2.91, Std = 0.3700, ChiSquare = 3.2655e-01 2.Y83 HB3 = 2.919(D), Expected = 2.84, Std = 0.3900, ChiSquare = 8.3948e-01 2.Y83 N = 123.160(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.2963e-01 2.S84 CA = 54.090(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.5305e-02 2.S84 CB = 64.770(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.1221e-01 2.S84 H = 8.573(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.1946e-01 2.S84 HA = 4.896(D), Expected = 4.48, Std = 0.4000, ChiSquare = 2.9834e-01 2.S84 HB2 = 3.769(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.5704e-01 2.S84 HB3 = 3.543(D), Expected = 3.85, Std = 0.2700, ChiSquare = 2.5552e-01 2.S84 N = 111.584(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.8217e-01 2.I85 CA = 64.070(D), Expected = 61.61, Std = 2.6800, ChiSquare = 3.5867e-01 2.I85 CB = 37.710(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.4879e-01 2.I85 CG1 = 26.960(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.5529e-01 2.I85 CG2 = 17.670(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.1801e-01 2.I85 CD1 = 15.310(D), Expected = 13.43, Std = 1.6700, ChiSquare = 2.6027e-01 2.I85 H = 8.473(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.7655e-01 2.I85 HA = 4.085(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.6529e-01 2.I85 HB = 2.116(D), Expected = 1.78, Std = 0.2900, ChiSquare = 2.4661e-01 2.I85 HG12 = 0.999(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.8237e-01 2.I85 HG21 = 0.829(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2703e-01 2.I85 HG22 = 0.829(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2703e-01 2.I85 HG23 = 0.829(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.2703e-01 2.I85 HD11 = 0.463(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5429e-01 2.I85 HD12 = 0.463(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5429e-01 2.I85 HD13 = 0.463(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.5429e-01 2.I85 N = 120.281(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.8296e-01 2.T86 CA = 61.480(D), Expected = 62.22, Std = 2.5900, ChiSquare = 7.7510e-01 2.T86 CB = 68.930(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.2357e-01 2.T86 H = 8.259(D), Expected = 8.24, Std = 0.6200, ChiSquare = 9.7555e-01 2.T86 HA = 4.518(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.0382e-01 2.T86 HB = 4.571(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.2431e-01 2.T86 N = 112.006(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.7230e-01 2.A87 CA = 51.300(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.5274e-01 2.A87 CB = 21.100(D), Expected = 19.01, Std = 1.8300, ChiSquare = 2.5342e-01 2.A87 H = 7.542(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.7279e-01 2.A87 HA = 4.806(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.1464e-01 2.A87 HB1 = 1.320(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0814e-01 2.A87 HB2 = 1.320(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0814e-01 2.A87 HB3 = 1.320(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0814e-01 2.A87 N = 125.124(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.9263e-01 2.Q88 CA = 59.110(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.3526e-01 2.Q88 CB = 28.250(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.0552e-01 2.Q88 CG = 36.090(D), Expected = 33.76, Std = 1.1100, ChiSquare = 3.5808e-02 2.Q88 H = 8.926(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.3146e-01 2.Q88 HA = 3.590(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.2224e-01 2.Q88 HB2 = 1.912(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.8095e-01 2.Q88 HG2 = 2.326(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.8227e-01 2.Q88 HG3 = 2.155(D), Expected = 2.29, Std = 0.2900, ChiSquare = 6.4156e-01 2.Q88 N = 128.734(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.4023e-02 2.S89 CA = 62.050(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.0768e-01 2.S89 CB = 60.900(D), Expected = 63.80, Std = 1.4800, ChiSquare = 5.0059e-02 2.S89 H = 9.232(D), Expected = 8.28, Std = 0.5900, ChiSquare = 1.0662e-01 2.S89 HA = 4.004(D), Expected = 4.48, Std = 0.4000, ChiSquare = 2.3405e-01 2.S89 HB2 = 3.847(D), Expected = 3.88, Std = 0.2500, ChiSquare = 8.9498e-01 2.S89 N = 114.811(D), Expected = 116.28, Std = 3.5200, ChiSquare = 6.7644e-01 2.T90 CA = 64.280(D), Expected = 62.22, Std = 2.5900, ChiSquare = 4.2640e-01 2.T90 CB = 68.610(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.9201e-01 2.T90 H = 7.054(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.5761e-02 2.T90 HA = 4.230(D), Expected = 4.46, Std = 0.4800, ChiSquare = 6.3182e-01 2.T90 HB = 4.675(D), Expected = 4.17, Std = 0.3300, ChiSquare = 1.2594e-01 2.T90 N = 112.069(D), Expected = 115.42, Std = 4.7500, ChiSquare = 4.8052e-01 2.F91 CA = 59.920(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.7402e-01 2.F91 CB = 39.950(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.8473e-01 2.F91 H = 7.069(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.2964e-02 2.F91 HA = 3.869(D), Expected = 4.63, Std = 0.5700, ChiSquare = 1.8185e-01 2.F91 HB2 = 3.126(D), Expected = 3.00, Std = 0.3700, ChiSquare = 7.3345e-01 2.F91 HB3 = 2.457(D), Expected = 2.93, Std = 0.4000, ChiSquare = 2.3701e-01 2.F91 N = 124.554(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.2619e-01 2.N92 CA = 55.490(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.9963e-01 2.N92 CB = 37.340(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.2440e-01 2.N92 H = 8.036(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.2942e-01 2.N92 HA = 4.202(D), Expected = 4.67, Std = 0.3600, ChiSquare = 1.9360e-01 2.N92 HB2 = 2.914(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.3726e-01 2.N92 N = 119.388(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.0952e-01 2.D93 CA = 56.080(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.9352e-01 2.D93 CB = 40.740(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.3113e-01 2.D93 H = 7.987(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.7760e-01 2.D93 HA = 4.437(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.3256e-01 2.D93 HB2 = 2.652(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.9368e-01 2.D93 N = 118.485(D), Expected = 120.65, Std = 3.8600, ChiSquare = 5.7488e-01 2.L94 CA = 57.190(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.6107e-01 2.L94 CB = 42.650(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.5648e-01 2.L94 CG = 25.380(D), Expected = 26.78, Std = 1.1000, ChiSquare = 2.0311e-01 2.L94 CD1 = 23.010(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.8216e-01 2.L94 CD2 = 28.340(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.1618e-02 2.L94 H = 7.193(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.1063e-01 2.L94 HA = 4.031(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.3863e-01 2.L94 HB2 = 1.908(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.8077e-01 2.L94 HB3 = 1.490(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.3359e-01 2.L94 HG = 2.210(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.3904e-02 2.L94 HD11 = 0.930(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2032e-01 2.L94 HD12 = 0.930(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2032e-01 2.L94 HD13 = 0.930(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.2032e-01 2.L94 HD21 = 0.827(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3802e-01 2.L94 HD22 = 0.827(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3802e-01 2.L94 HD23 = 0.827(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.3802e-01 2.L94 N = 116.475(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.6735e-01 2.Q95 CA = 60.090(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.9999e-02 2.Q95 CB = 27.300(D), Expected = 29.19, Std = 1.8200, ChiSquare = 2.9906e-01 2.Q95 CG = 32.860(D), Expected = 33.76, Std = 1.1100, ChiSquare = 4.1747e-01 2.Q95 H = 7.654(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.3740e-01 2.Q95 HA = 4.031(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.8700e-01 2.Q95 HB2 = 2.267(D), Expected = 2.05, Std = 0.2500, ChiSquare = 3.8539e-01 2.Q95 HB3 = 2.090(D), Expected = 2.02, Std = 0.2800, ChiSquare = 8.0259e-01 2.Q95 HG2 = 2.364(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.7055e-01 2.Q95 N = 118.335(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.6578e-01 2.D96 CA = 56.770(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.0554e-01 2.D96 CB = 40.870(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.9507e-01 2.D96 H = 8.236(D), Expected = 8.31, Std = 0.5800, ChiSquare = 8.9848e-01 2.D96 HA = 4.320(D), Expected = 4.59, Std = 0.3200, ChiSquare = 3.9881e-01 2.D96 HB2 = 2.562(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.4339e-01 2.D96 HB3 = 2.499(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.6529e-01 2.D96 N = 117.187(D), Expected = 120.65, Std = 3.8600, ChiSquare = 3.6964e-01 2.L97 CA = 57.770(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.1279e-01 2.L97 CB = 42.060(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9421e-01 2.L97 CG = 27.210(D), Expected = 26.78, Std = 1.1000, ChiSquare = 6.9586e-01 2.L97 CD1 = 24.970(D), Expected = 24.72, Std = 1.5900, ChiSquare = 8.7506e-01 2.L97 CD2 = 23.480(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.3740e-01 2.L97 H = 6.975(D), Expected = 8.23, Std = 0.6500, ChiSquare = 5.3512e-02 2.L97 HA = 3.905(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.7725e-01 2.L97 HB2 = 1.857(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.6755e-01 2.L97 HB3 = 1.258(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.6675e-01 2.L97 HG = 1.681(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.0433e-01 2.L97 HD11 = 0.858(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.9971e-01 2.L97 HD12 = 0.858(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.9971e-01 2.L97 HD13 = 0.858(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.9971e-01 2.L97 HD21 = 0.815(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.6944e-01 2.L97 HD22 = 0.815(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.6944e-01 2.L97 HD23 = 0.815(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.6944e-01 2.L97 N = 119.317(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.1437e-01 2.R98 CA = 60.130(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.4579e-01 2.R98 CB = 28.300(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.8970e-01 2.R98 H = 7.709(D), Expected = 8.24, Std = 0.6100, ChiSquare = 3.8403e-01 2.R98 HA = 3.229(D), Expected = 4.30, Std = 0.4600, ChiSquare = 1.9898e-02 2.R98 N = 118.241(D), Expected = 120.80, Std = 3.6800, ChiSquare = 4.8682e-01 2.E99 CA = 59.230(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.6078e-01 2.E99 CB = 28.470(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.7060e-01 2.E99 H = 7.583(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.0548e-01 2.E99 HA = 3.563(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.3815e-02 2.E99 N = 115.366(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.2747e-01 2.Q100 CA = 58.960(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.6407e-01 2.Q100 CB = 27.620(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.8834e-01 2.Q100 CG = 32.940(D), Expected = 33.76, Std = 1.1100, ChiSquare = 4.6007e-01 2.Q100 H = 7.628(D), Expected = 8.22, Std = 0.5900, ChiSquare = 3.1567e-01 2.Q100 HA = 3.797(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.8237e-01 2.Q100 HG2 = 2.357(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.9100e-01 2.Q100 HG3 = 2.282(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.7799e-01 2.Q100 N = 119.141(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.3519e-01 2.I101 CA = 65.530(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.4355e-01 2.I101 CB = 38.000(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.5513e-01 2.I101 CG1 = 28.170(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.8423e-01 2.I101 CG2 = 17.640(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.3554e-01 2.I101 CD1 = 15.760(D), Expected = 13.43, Std = 1.6700, ChiSquare = 1.6295e-01 2.I101 H = 7.433(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.1292e-01 2.I101 HA = 3.175(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.2711e-02 2.I101 HB = 1.386(D), Expected = 1.78, Std = 0.2900, ChiSquare = 1.7427e-01 2.I101 HG12 = 1.561(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.8237e-01 2.I101 HG13 = -0.071(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.1007e-03 2.I101 HG21 = -0.078(D), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6852e-03 2.I101 HG22 = -0.078(D), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6852e-03 2.I101 HG23 = -0.078(D), Expected = 0.77, Std = 0.2700, ChiSquare = 1.6852e-03 2.I101 HD11 = 0.228(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.1909e-01 2.I101 HD12 = 0.228(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.1909e-01 2.I101 HD13 = 0.228(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.1909e-01 2.I101 N = 119.103(D), Expected = 121.46, Std = 4.2800, ChiSquare = 5.8184e-01 2.L102 CA = 57.990(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.6585e-01 2.L102 CB = 39.710(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.6667e-01 2.L102 CG = 27.000(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.4148e-01 2.L102 CD1 = 22.330(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.3280e-01 2.L102 CD2 = 23.790(D), Expected = 24.05, Std = 1.7000, ChiSquare = 8.7844e-01 2.L102 H = 7.522(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.7605e-01 2.L102 HA = 3.725(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.0553e-01 2.L102 HB2 = 1.472(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.8483e-01 2.L102 HG = 1.630(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.1613e-01 2.L102 HD11 = 0.520(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.1140e-01 2.L102 HD12 = 0.520(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.1140e-01 2.L102 HD13 = 0.520(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.1140e-01 2.L102 HD21 = 0.520(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.6898e-01 2.L102 HD22 = 0.520(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.6898e-01 2.L102 HD23 = 0.520(D), Expected = 0.73, Std = 0.2900, ChiSquare = 4.6898e-01 2.L102 N = 117.500(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.6359e-01 2.R103 CA = 58.770(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.8660e-01 2.R103 CB = 29.730(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.9607e-01 2.R103 CG = 26.740(D), Expected = 27.21, Std = 1.2000, ChiSquare = 6.9530e-01 2.R103 CD = 42.980(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.3793e-01 2.R103 H = 7.730(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.0312e-01 2.R103 HA = 3.959(D), Expected = 4.30, Std = 0.4600, ChiSquare = 4.5851e-01 2.R103 HB2 = 1.838(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.5890e-01 2.R103 HB3 = 1.707(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.4987e-01 2.R103 HG2 = 1.542(D), Expected = 1.57, Std = 0.2700, ChiSquare = 9.1740e-01 2.R103 HG3 = 1.424(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.8916e-01 2.R103 HD2 = 3.098(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.2696e-01 2.R103 N = 118.807(D), Expected = 120.80, Std = 3.6800, ChiSquare = 5.8811e-01 2.V104 CA = 65.490(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.9420e-01 2.V104 CB = 31.710(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.6879e-01 2.V104 CG1 = 22.500(D), Expected = 21.49, Std = 1.3600, ChiSquare = 4.5770e-01 2.V104 CG2 = 21.150(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.4379e-01 2.V104 H = 7.952(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.1393e-01 2.V104 HA = 3.635(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.3862e-01 2.V104 HB = 1.922(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.5617e-01 2.V104 HG11 = 0.938(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.7786e-01 2.V104 HG12 = 0.938(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.7786e-01 2.V104 HG13 = 0.938(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.7786e-01 2.V104 HG21 = 0.809(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.7436e-01 2.V104 HG22 = 0.809(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.7436e-01 2.V104 HG23 = 0.809(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.7436e-01 2.V104 N = 118.480(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.5794e-01 2.K105 CA = 56.210(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.3660e-01 2.K105 CB = 31.770(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.6662e-01 2.K105 CG = 24.370(D), Expected = 24.89, Std = 1.1300, ChiSquare = 6.4539e-01 2.K105 CE = 41.590(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.1447e-01 2.K105 H = 8.128(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.1770e-01 2.K105 HA = 4.013(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.5916e-01 2.K105 HB2 = 1.717(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.0104e-01 2.K105 HB3 = 1.629(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.8099e-01 2.K105 HG2 = 1.409(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.8076e-01 2.K105 HG3 = 1.337(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.6297e-01 2.K105 HE2 = 3.282(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.6746e-02 2.K105 HE3 = 3.111(D), Expected = 2.91, Std = 0.2000, ChiSquare = 3.1490e-01 2.K105 N = 116.278(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.0559e-01 2.D106 CA = 54.590(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.6071e-01 2.D106 CB = 39.530(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.0466e-01 2.D106 H = 7.900(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.7963e-01 2.D106 HA = 4.202(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.2532e-01 2.D106 HB2 = 3.030(D), Expected = 2.72, Std = 0.2600, ChiSquare = 2.3314e-01 2.D106 HB3 = 2.189(D), Expected = 2.66, Std = 0.2800, ChiSquare = 9.2541e-02 2.D106 N = 118.870(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.4470e-01 2.T107 CA = 59.600(D), Expected = 62.22, Std = 2.5900, ChiSquare = 3.1174e-01 2.T107 CB = 68.500(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.5049e-01 2.T107 H = 7.408(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.7962e-01 2.T107 HA = 4.419(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.3193e-01 2.T107 HB = 4.181(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.7341e-01 2.T107 N = 110.438(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.9425e-01 2.D108 CA = 53.650(D), Expected = 54.69, Std = 2.0300, ChiSquare = 6.0843e-01 2.D108 CB = 40.440(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.8593e-01 2.D108 H = 7.861(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.3885e-01 2.D108 HA = 4.527(D), Expected = 4.59, Std = 0.3200, ChiSquare = 8.4393e-01 2.D108 HB2 = 2.589(D), Expected = 2.72, Std = 0.2600, ChiSquare = 6.1437e-01 2.D108 HB3 = 2.464(D), Expected = 2.66, Std = 0.2800, ChiSquare = 4.8393e-01 2.D108 N = 119.392(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.4449e-01 2.D109 CA = 53.320(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.9975e-01 2.D109 CB = 40.450(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.9068e-01 2.D109 H = 8.070(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.7903e-01 2.D109 HA = 4.626(D), Expected = 4.59, Std = 0.3200, ChiSquare = 9.1043e-01 2.D109 HB2 = 2.647(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.7889e-01 2.D109 HB3 = 2.429(D), Expected = 2.66, Std = 0.2800, ChiSquare = 4.0937e-01 2.D109 N = 122.278(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.7320e-01 2.V110 CA = 58.570(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7049e-01 2.V110 CB = 35.530(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.1776e-01 2.V110 CG1 = 20.940(D), Expected = 21.49, Std = 1.3600, ChiSquare = 6.8591e-01 2.V110 CG2 = 21.860(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.0052e-01 2.V110 H = 7.390(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7918e-01 2.V110 HA = 4.462(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.3909e-01 2.V110 HB = 1.674(D), Expected = 1.98, Std = 0.3200, ChiSquare = 3.3895e-01 2.V110 HG11 = 0.847(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.4787e-01 2.V110 HG12 = 0.847(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.4787e-01 2.V110 HG13 = 0.847(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.4787e-01 2.V110 HG21 = 0.678(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.6304e-01 2.V110 HG22 = 0.678(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.6304e-01 2.V110 HG23 = 0.678(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.6304e-01 2.V110 N = 121.434(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.4837e-01 2.P111 CA = 63.960(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.7853e-01 2.P111 CB = 31.360(D), Expected = 31.85, Std = 1.1800, ChiSquare = 6.7796e-01 2.P111 HA = 4.473(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.2493e-01 2.M112 CA = 54.950(D), Expected = 56.11, Std = 2.2300, ChiSquare = 6.0294e-01 2.M112 CB = 36.510(D), Expected = 32.99, Std = 2.2400, ChiSquare = 1.1608e-01 2.M112 CG = 32.080(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.5498e-01 2.M112 H = 8.339(D), Expected = 8.26, Std = 0.6000, ChiSquare = 8.9525e-01 2.M112 HA = 5.689(D), Expected = 4.41, Std = 0.4800, ChiSquare = 7.7084e-03 2.M112 HB2 = 2.150(D), Expected = 2.03, Std = 0.3400, ChiSquare = 7.2413e-01 2.M112 HG2 = 2.624(D), Expected = 2.42, Std = 0.3500, ChiSquare = 5.5999e-01 2.M112 N = 124.393(D), Expected = 120.09, Std = 3.5700, ChiSquare = 2.2808e-01 2.I113 CA = 59.610(D), Expected = 61.61, Std = 2.6800, ChiSquare = 4.5551e-01 2.I113 CB = 42.720(D), Expected = 38.63, Std = 2.0200, ChiSquare = 4.2893e-02 2.I113 CG1 = 28.050(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.3962e-01 2.I113 CG2 = 15.670(D), Expected = 17.53, Std = 1.3600, ChiSquare = 1.7142e-01 2.I113 CD1 = 15.080(D), Expected = 13.43, Std = 1.6700, ChiSquare = 3.2314e-01 2.I113 H = 8.559(D), Expected = 8.28, Std = 0.6800, ChiSquare = 6.8159e-01 2.I113 HA = 4.671(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.8060e-01 2.I113 HB = 1.321(D), Expected = 1.78, Std = 0.2900, ChiSquare = 1.1348e-01 2.I113 HG12 = 1.225(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.9064e-01 2.I113 HG21 = 0.750(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4095e-01 2.I113 HG22 = 0.750(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4095e-01 2.I113 HG23 = 0.750(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4095e-01 2.I113 HD11 = 0.647(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.0940e-01 2.I113 HD12 = 0.647(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.0940e-01 2.I113 HD13 = 0.647(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.0940e-01 2.I113 N = 121.743(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.4728e-01 2.L114 CA = 53.830(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.0070e-01 2.L114 CB = 43.360(D), Expected = 42.31, Std = 1.8800, ChiSquare = 5.7650e-01 2.L114 CG = 28.060(D), Expected = 26.78, Std = 1.1000, ChiSquare = 2.4457e-01 2.L114 CD1 = 26.660(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.2242e-01 2.L114 CD2 = 24.540(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.7317e-01 2.L114 H = 8.757(D), Expected = 8.23, Std = 0.6500, ChiSquare = 4.1750e-01 2.L114 HA = 5.140(D), Expected = 4.32, Std = 0.4700, ChiSquare = 8.1041e-02 2.L114 HB2 = 2.216(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.4692e-02 2.L114 HB3 = 1.545(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.4464e-01 2.L114 HG = 1.864(D), Expected = 1.51, Std = 0.3300, ChiSquare = 2.8339e-01 2.L114 HD11 = 0.653(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.2902e-01 2.L114 HD12 = 0.653(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.2902e-01 2.L114 HD13 = 0.653(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.2902e-01 2.L114 HD21 = 1.090(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.1447e-01 2.L114 HD22 = 1.090(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.1447e-01 2.L114 HD23 = 1.090(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.1447e-01 2.L114 N = 131.950(D), Expected = 121.86, Std = 3.9000, ChiSquare = 9.6765e-03 2.V115 CA = 60.130(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.0927e-01 2.V115 CB = 34.980(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.0876e-01 2.V115 CG1 = 21.490(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.0000e+00 2.V115 H = 9.028(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.7068e-01 2.V115 HA = 4.716(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.6446e-01 2.V115 HB = 1.790(D), Expected = 1.98, Std = 0.3200, ChiSquare = 5.5268e-01 2.V115 HG11 = 0.540(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.6469e-01 2.V115 HG12 = 0.540(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.6469e-01 2.V115 HG13 = 0.540(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.6469e-01 2.V115 N = 125.916(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.9281e-01 2.G116 CA = 44.750(D), Expected = 45.35, Std = 1.3400, ChiSquare = 6.5433e-01 2.G116 H = 8.462(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.3907e-01 2.G116 HA2 = 2.606(S), Expected = 3.97, Std = 0.3700, ChiSquare = 2.2737e-04 2.G116 HA3 = 2.496(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.4788e-04 2.G116 N = 113.339(D), Expected = 109.67, Std = 3.8700, ChiSquare = 3.4310e-01 2.N117 CA = 51.540(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.8741e-01 2.N117 CB = 41.070(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.5905e-01 2.N117 H = 8.763(D), Expected = 8.34, Std = 0.6300, ChiSquare = 5.0195e-01 2.N117 HA = 5.275(D), Expected = 4.67, Std = 0.3600, ChiSquare = 9.2849e-02 2.N117 HB2 = 2.630(D), Expected = 2.81, Std = 0.3100, ChiSquare = 5.6148e-01 2.N117 HB3 = 2.108(D), Expected = 2.75, Std = 0.3300, ChiSquare = 5.1720e-02 2.N117 N = 122.388(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.9086e-01 2.K118 CA = 57.270(D), Expected = 56.95, Std = 2.2000, ChiSquare = 8.8435e-01 2.K118 CB = 28.920(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.9693e-02 2.K118 H = 7.168(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.8506e-02 2.K118 HA = 4.013(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.5916e-01 2.K118 N = 110.349(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.5332e-03 2.C119 CA = 59.850(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.4160e-01 2.C119 CB = 26.040(D), Expected = 32.49, Std = 6.0100, ChiSquare = 2.8318e-01 2.C119 H = 9.015(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.5090e-01 2.C119 HA = 4.193(D), Expected = 4.66, Std = 0.5500, ChiSquare = 3.9583e-01 2.C119 N = 114.821(D), Expected = 120.17, Std = 4.6400, ChiSquare = 2.4899e-01 2.D120 CA = 54.310(D), Expected = 54.69, Std = 2.0300, ChiSquare = 8.5151e-01 2.D120 CB = 40.180(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.6567e-01 2.D120 H = 8.677(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.2689e-01 2.D120 HA = 4.437(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.3256e-01 2.D120 HB2 = 2.563(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.4595e-01 2.D120 HB3 = 2.494(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.5328e-01 2.D120 N = 117.415(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.0198e-01 2.L121 CA = 52.590(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.5487e-01 2.L121 CB = 38.430(D), Expected = 42.31, Std = 1.8800, ChiSquare = 3.9034e-02 2.L121 CG = 25.390(D), Expected = 26.78, Std = 1.1000, ChiSquare = 2.0636e-01 2.L121 CD1 = 26.270(D), Expected = 24.72, Std = 1.5900, ChiSquare = 3.2964e-01 2.L121 CD2 = 21.910(D), Expected = 24.05, Std = 1.7000, ChiSquare = 2.0809e-01 2.L121 H = 7.992(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.1425e-01 2.L121 HA = 4.599(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.5277e-01 2.L121 HB2 = 1.825(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.2716e-01 2.L121 HB3 = 1.198(D), Expected = 1.52, Std = 0.3600, ChiSquare = 3.7108e-01 2.L121 HG = 1.391(D), Expected = 1.51, Std = 0.3300, ChiSquare = 7.1839e-01 2.L121 HD11 = 0.838(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5330e-01 2.L121 HD12 = 0.838(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5330e-01 2.L121 HD13 = 0.838(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.5330e-01 2.L121 HD21 = 0.603(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6144e-01 2.L121 HD22 = 0.603(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6144e-01 2.L121 HD23 = 0.603(D), Expected = 0.73, Std = 0.2900, ChiSquare = 6.6144e-01 2.L121 N = 124.346(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.2384e-01 2.E122 CA = 59.230(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.6078e-01 2.E122 CB = 29.510(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.7128e-01 2.E122 CG = 34.730(D), Expected = 36.11, Std = 1.1900, ChiSquare = 2.4619e-01 2.E122 H = 6.880(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.3986e-02 2.E122 HA = 3.743(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.1624e-01 2.E122 HB2 = 1.922(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.4074e-01 2.E122 HB3 = 1.848(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.3698e-01 2.E122 HG2 = 2.306(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.6389e-01 2.E122 HG3 = 2.160(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.8247e-01 2.E122 N = 119.716(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.8398e-01 2.D123 CA = 56.090(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.9041e-01 2.D123 CB = 39.600(D), Expected = 40.88, Std = 1.6200, ChiSquare = 4.2946e-01 2.D123 H = 8.601(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.1586e-01 2.D123 HA = 4.320(D), Expected = 4.59, Std = 0.3200, ChiSquare = 3.9881e-01 2.D123 HB2 = 2.569(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.6140e-01 2.D123 N = 115.636(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.9396e-01 2.E124 CA = 54.870(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.4110e-01 2.E124 CB = 30.480(D), Expected = 30.01, Std = 1.7200, ChiSquare = 7.8466e-01 2.E124 CG = 36.350(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.4017e-01 2.E124 H = 7.509(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.6407e-01 2.E124 HA = 4.293(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.1647e-01 2.E124 HB2 = 2.287(D), Expected = 2.02, Std = 0.2100, ChiSquare = 2.0358e-01 2.E124 HG2 = 2.079(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.6307e-01 2.E124 HG3 = 1.996(D), Expected = 2.25, Std = 0.2200, ChiSquare = 2.4828e-01 2.E124 N = 117.494(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.6143e-01 2.R125 CA = 58.620(D), Expected = 56.77, Std = 2.3100, ChiSquare = 4.2321e-01 2.R125 CB = 31.420(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.9399e-01 2.R125 CD = 43.190(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.7280e-01 2.R125 H = 7.108(D), Expected = 8.24, Std = 0.6100, ChiSquare = 6.3491e-02 2.R125 HA = 3.283(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.7045e-02 2.R125 HB2 = 1.681(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.8643e-01 2.R125 HD2 = 3.060(D), Expected = 3.12, Std = 0.2400, ChiSquare = 8.0259e-01 2.R125 N = 120.635(D), Expected = 120.80, Std = 3.6800, ChiSquare = 9.6424e-01 2.V126 CA = 62.430(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.8326e-01 2.V126 CB = 33.920(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.0618e-01 2.V126 CG1 = 21.380(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.3554e-01 2.V126 CG2 = 20.630(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.8633e-01 2.V126 H = 8.755(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.8766e-01 2.V126 HA = 4.257(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.0804e-01 2.V126 HB = 1.959(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.4768e-01 2.V126 HG11 = 0.912(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.5247e-01 2.V126 HG12 = 0.912(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.5247e-01 2.V126 HG13 = 0.912(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.5247e-01 2.V126 HG21 = 0.852(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5267e-01 2.V126 HG22 = 0.852(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5267e-01 2.V126 HG23 = 0.852(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.5267e-01 2.V126 N = 122.286(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0071e-01 2.V127 CA = 61.230(D), Expected = 62.49, Std = 2.8600, ChiSquare = 6.5953e-01 2.V127 CB = 31.850(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.2299e-01 2.V127 CG1 = 19.550(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.5373e-01 2.V127 CG2 = 20.130(D), Expected = 21.26, Std = 1.5600, ChiSquare = 4.6885e-01 2.V127 H = 7.786(D), Expected = 8.29, Std = 0.6700, ChiSquare = 4.5191e-01 2.V127 HA = 3.815(D), Expected = 4.19, Std = 0.5800, ChiSquare = 5.1792e-01 2.V127 HB = 1.907(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.1955e-01 2.V127 HG11 = 0.552(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.8497e-01 2.V127 HG12 = 0.552(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.8497e-01 2.V127 HG13 = 0.552(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.8497e-01 2.V127 HG21 = 0.019(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.2824e-03 2.V127 HG22 = 0.019(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.2824e-03 2.V127 HG23 = 0.019(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.2824e-03 2.V127 N = 122.765(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.2040e-01 2.G128 CA = 45.520(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.9905e-01 2.G128 H = 8.516(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7476e-01 2.G128 HA2 = 3.949(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.5474e-01 2.G128 HA3 = 4.104(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.8139e-01 2.G128 N = 115.332(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.4345e-01 2.K129 CA = 60.260(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.3244e-01 2.K129 CB = 32.270(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.7018e-01 2.K129 CG = 25.270(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.3666e-01 2.K129 CD = 29.480(D), Expected = 28.96, Std = 1.0800, ChiSquare = 6.3017e-01 2.K129 CE = 41.820(D), Expected = 41.89, Std = 0.8200, ChiSquare = 9.3197e-01 2.K129 H = 8.976(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.9020e-01 2.K129 HA = 4.085(D), Expected = 4.27, Std = 0.4400, ChiSquare = 6.7415e-01 2.K129 HB2 = 1.801(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.3306e-01 2.K129 HB3 = 1.684(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.3569e-01 2.K129 HG2 = 1.466(D), Expected = 1.37, Std = 0.2600, ChiSquare = 7.1196e-01 2.K129 HG3 = 1.406(D), Expected = 1.35, Std = 0.2800, ChiSquare = 8.4148e-01 2.K129 HD2 = 1.607(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.8912e-01 2.K129 HE2 = 2.882(D), Expected = 2.92, Std = 0.1900, ChiSquare = 8.4148e-01 2.K129 HE3 = 2.831(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.9284e-01 2.K129 N = 128.267(D), Expected = 121.05, Std = 3.7700, ChiSquare = 5.5579e-02 2.E130 CA = 58.690(D), Expected = 57.32, Std = 2.0900, ChiSquare = 5.1214e-01 2.E130 CB = 27.940(D), Expected = 30.01, Std = 1.7200, ChiSquare = 2.2879e-01 2.E130 CG = 36.020(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.3971e-01 2.E130 H = 8.858(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.7083e-01 2.E130 HA = 3.887(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.7596e-01 2.E130 HB2 = 1.723(D), Expected = 2.02, Std = 0.2100, ChiSquare = 1.5728e-01 2.E130 HB3 = 1.655(D), Expected = 1.99, Std = 0.2300, ChiSquare = 1.4525e-01 2.E130 HG2 = 2.163(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.1038e-01 2.E130 HG3 = 2.131(D), Expected = 2.25, Std = 0.2200, ChiSquare = 5.8857e-01 2.E130 N = 116.156(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.9459e-01 2.Q131 CA = 59.020(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.5227e-01 2.Q131 CB = 27.800(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.4502e-01 2.Q131 CG = 34.730(D), Expected = 33.76, Std = 1.1100, ChiSquare = 3.8219e-01 2.Q131 H = 7.088(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.5029e-02 2.Q131 HA = 3.806(D), Expected = 4.27, Std = 0.4400, ChiSquare = 2.9163e-01 2.Q131 HB2 = 1.770(D), Expected = 2.05, Std = 0.2500, ChiSquare = 2.6271e-01 2.Q131 HB3 = 1.555(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.6771e-02 2.Q131 HG2 = 2.131(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.8393e-01 2.Q131 HG3 = 2.019(D), Expected = 2.29, Std = 0.2900, ChiSquare = 3.5006e-01 2.Q131 N = 118.590(D), Expected = 119.89, Std = 3.6000, ChiSquare = 7.1802e-01 2.G132 CA = 47.280(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.4978e-01 2.G132 H = 6.987(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.8814e-02 2.G132 HA2 = 3.383(D), Expected = 3.97, Std = 0.3700, ChiSquare = 1.1263e-01 2.G132 HA3 = 3.495(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.7369e-01 2.G132 N = 107.512(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.7710e-01 2.Q133 CA = 58.170(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.5466e-01 2.Q133 CB = 28.300(D), Expected = 29.19, Std = 1.8200, ChiSquare = 6.2483e-01 2.Q133 CG = 34.230(D), Expected = 33.76, Std = 1.1100, ChiSquare = 6.7199e-01 2.Q133 H = 7.574(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.7355e-01 2.Q133 HA = 3.103(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.9952e-03 2.Q133 HB2 = 1.850(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.2371e-01 2.Q133 HB3 = 1.685(D), Expected = 2.02, Std = 0.2800, ChiSquare = 2.3153e-01 2.Q133 HG2 = 2.171(D), Expected = 2.32, Std = 0.2700, ChiSquare = 5.8105e-01 2.Q133 N = 119.154(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.3801e-01 2.N134 CA = 55.560(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.8261e-01 2.N134 CB = 37.660(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.4221e-01 2.N134 H = 8.095(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.9736e-01 2.N134 HA = 4.193(D), Expected = 4.67, Std = 0.3600, ChiSquare = 1.8517e-01 2.N134 HB2 = 2.704(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.3240e-01 2.N134 HB3 = 2.573(D), Expected = 2.75, Std = 0.3300, ChiSquare = 5.9171e-01 2.N134 N = 117.316(D), Expected = 118.93, Std = 4.0300, ChiSquare = 6.8879e-01 2.L135 CA = 57.260(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.4133e-01 2.L135 CB = 40.820(D), Expected = 42.31, Std = 1.8800, ChiSquare = 4.2804e-01 2.L135 CG = 26.120(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.4851e-01 2.L135 CD1 = 22.330(D), Expected = 24.72, Std = 1.5900, ChiSquare = 1.3280e-01 2.L135 CD2 = 25.330(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.5149e-01 2.L135 H = 7.316(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.5968e-01 2.L135 HA = 3.635(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.4499e-01 2.L135 HB2 = 1.321(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.9533e-01 2.L135 HB3 = 1.018(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.6318e-01 2.L135 HG = -0.283(S), Expected = 1.51, Std = 0.3300, ChiSquare = 5.5311e-08 2.L135 HD11 = 0.196(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.7864e-02 2.L135 HD12 = 0.196(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.7864e-02 2.L135 HD13 = 0.196(D), Expected = 0.75, Std = 0.2800, ChiSquare = 4.7864e-02 2.L135 HD21 = -0.460(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.0704e-05 2.L135 HD22 = -0.460(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.0704e-05 2.L135 HD23 = -0.460(S), Expected = 0.73, Std = 0.2900, ChiSquare = 4.0704e-05 2.L135 N = 123.921(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.9718e-01 2.A136 CA = 54.900(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.7406e-01 2.A136 CB = 17.620(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.4752e-01 2.A136 H = 7.498(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.4200e-01 2.A136 HA = 3.725(D), Expected = 4.26, Std = 0.4400, ChiSquare = 2.2402e-01 2.A136 HB1 = 1.382(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0205e-01 2.A136 HB2 = 1.382(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0205e-01 2.A136 HB3 = 1.382(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.0205e-01 2.A136 N = 118.876(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.1872e-01 2.R137 CA = 60.310(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.2541e-01 2.R137 CB = 29.570(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.3691e-01 2.R137 CG = 27.130(D), Expected = 27.21, Std = 1.2000, ChiSquare = 9.4685e-01 2.R137 CD = 43.160(D), Expected = 43.16, Std = 0.8800, ChiSquare = 1.0000e+00 2.R137 H = 7.583(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.8146e-01 2.R137 HA = 3.833(D), Expected = 4.30, Std = 0.4600, ChiSquare = 3.1000e-01 2.R137 HB2 = 1.836(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.6472e-01 2.R137 HG2 = 1.704(D), Expected = 1.57, Std = 0.2700, ChiSquare = 6.1969e-01 2.R137 HG3 = 1.517(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.3679e-01 2.R137 HD2 = 3.125(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.8338e-01 2.R137 N = 116.323(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.2377e-01 2.Q138 CA = 58.300(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.1885e-01 2.Q138 CB = 27.720(D), Expected = 29.19, Std = 1.8200, ChiSquare = 4.1927e-01 2.Q138 CG = 33.740(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.8562e-01 2.Q138 H = 7.555(D), Expected = 8.22, Std = 0.5900, ChiSquare = 2.5969e-01 2.Q138 HA = 4.004(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.4548e-01 2.Q138 HB2 = 2.183(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.9473e-01 2.Q138 HG2 = 2.439(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.5940e-01 2.Q138 HG3 = 2.356(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.1997e-01 2.Q138 N = 119.590(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.3359e-01 2.W139 CA = 53.320(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.2536e-02 2.W139 CB = 27.040(D), Expected = 30.01, Std = 2.0100, ChiSquare = 1.3951e-01 2.W139 H = 7.990(D), Expected = 8.29, Std = 0.7900, ChiSquare = 7.0413e-01 2.W139 HA = 4.779(D), Expected = 4.68, Std = 0.5300, ChiSquare = 8.5182e-01 2.W139 HB2 = 3.265(D), Expected = 3.19, Std = 0.3500, ChiSquare = 8.3032e-01 2.W139 N = 125.706(D), Expected = 121.68, Std = 4.1800, ChiSquare = 3.3547e-01 2.N140 CA = 53.610(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.7030e-01 2.N140 CB = 36.460(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.8699e-01 2.N140 H = 7.860(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.4612e-01 2.N140 HA = 4.266(D), Expected = 4.67, Std = 0.3600, ChiSquare = 2.6177e-01 2.N140 HB2 = 3.029(D), Expected = 2.81, Std = 0.3100, ChiSquare = 4.7991e-01 2.N140 HB3 = 2.693(D), Expected = 2.75, Std = 0.3300, ChiSquare = 8.6287e-01 2.N140 N = 114.530(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.7492e-01 2.N141 CA = 54.210(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.2155e-01 2.N141 CB = 36.570(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.0968e-01 2.N141 H = 8.075(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.7402e-01 2.N141 HA = 4.220(D), Expected = 4.67, Std = 0.3600, ChiSquare = 2.1130e-01 2.N141 HB2 = 2.901(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.6910e-01 2.N141 HB3 = 2.716(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.1794e-01 2.N141 N = 113.813(D), Expected = 118.93, Std = 4.0300, ChiSquare = 2.0418e-01 2.C142 CA = 58.300(D), Expected = 58.30, Std = 3.3300, ChiSquare = 1.0000e+00 2.C142 CB = 27.720(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.2738e-01 2.C142 H = 7.584(D), Expected = 8.39, Std = 0.6700, ChiSquare = 2.2898e-01 2.C142 HA = 4.545(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.3438e-01 2.C142 HB2 = 3.521(D), Expected = 2.96, Std = 0.4400, ChiSquare = 2.0231e-01 2.C142 HB3 = 3.068(D), Expected = 2.89, Std = 0.4600, ChiSquare = 6.9879e-01 2.C142 N = 119.658(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.1214e-01 2.A143 CA = 53.220(D), Expected = 53.14, Std = 1.9800, ChiSquare = 9.6777e-01 2.A143 CB = 19.510(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.8468e-01 2.A143 H = 7.973(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.0518e-01 2.A143 HA = 4.275(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.7280e-01 2.A143 HB1 = 1.387(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8684e-01 2.A143 HB2 = 1.387(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8684e-01 2.A143 HB3 = 1.387(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8684e-01 2.A143 N = 127.021(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.8421e-01 2.F144 CA = 56.050(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.2960e-01 2.F144 CB = 42.690(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.9640e-01 2.F144 H = 8.018(D), Expected = 8.36, Std = 0.7200, ChiSquare = 6.3479e-01 2.F144 HA = 5.941(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.1448e-02 2.F144 HB2 = 2.998(D), Expected = 3.00, Std = 0.3700, ChiSquare = 9.9569e-01 2.F144 HB3 = 2.511(D), Expected = 2.93, Std = 0.4000, ChiSquare = 2.9487e-01 2.F144 N = 121.620(D), Expected = 120.45, Std = 4.1800, ChiSquare = 7.7955e-01 2.L145 CA = 53.850(D), Expected = 55.62, Std = 2.1300, ChiSquare = 4.0598e-01 2.L145 CB = 45.760(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.6490e-02 2.L145 CG = 25.700(D), Expected = 26.78, Std = 1.1000, ChiSquare = 3.2619e-01 2.L145 CD1 = 24.250(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.6754e-01 2.L145 CD2 = 25.470(D), Expected = 24.05, Std = 1.7000, ChiSquare = 4.0355e-01 2.L145 H = 8.036(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.6535e-01 2.L145 HA = 3.752(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.2685e-01 2.L145 HB2 = 1.383(D), Expected = 1.61, Std = 0.3400, ChiSquare = 5.0436e-01 2.L145 HB3 = 1.087(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.2906e-01 2.L145 HG = 1.273(D), Expected = 1.51, Std = 0.3300, ChiSquare = 4.7265e-01 2.L145 HD11 = 0.590(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6771e-01 2.L145 HD12 = 0.590(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6771e-01 2.L145 HD13 = 0.590(D), Expected = 0.75, Std = 0.2800, ChiSquare = 5.6771e-01 2.L145 HD21 = 0.446(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.2743e-01 2.L145 HD22 = 0.446(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.2743e-01 2.L145 HD23 = 0.446(D), Expected = 0.73, Std = 0.2900, ChiSquare = 3.2743e-01 2.L145 N = 126.555(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.2865e-01 2.E146 CA = 54.800(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.2792e-01 2.E146 CB = 31.380(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.2573e-01 2.E146 CG = 36.800(D), Expected = 36.11, Std = 1.1900, ChiSquare = 5.6203e-01 2.E146 H = 7.686(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.7504e-01 2.E146 HA = 4.932(D), Expected = 4.25, Std = 0.4100, ChiSquare = 9.6229e-02 2.E146 HG2 = 1.885(D), Expected = 2.27, Std = 0.2100, ChiSquare = 6.6753e-02 2.E146 N = 115.524(D), Expected = 120.67, Std = 3.4800, ChiSquare = 1.3921e-01 2.S147 CA = 56.900(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.7928e-01 2.S147 CB = 69.500(S), Expected = 63.80, Std = 1.4800, ChiSquare = 1.1747e-04 2.S147 H = 8.917(D), Expected = 8.28, Std = 0.5900, ChiSquare = 2.8029e-01 2.S147 HA = 4.770(D), Expected = 4.48, Std = 0.4000, ChiSquare = 4.6845e-01 2.S147 HB2 = 3.621(D), Expected = 3.88, Std = 0.2500, ChiSquare = 3.0020e-01 2.S147 HB3 = 3.045(D), Expected = 3.85, Std = 0.2700, ChiSquare = 2.8686e-03 2.S147 N = 118.181(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.8916e-01 2.S148 CA = 57.010(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.0876e-01 2.S148 CB = 65.150(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.6168e-01 2.S148 H = 8.794(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.8365e-01 2.S148 HA = 4.950(D), Expected = 4.48, Std = 0.4000, ChiSquare = 2.3999e-01 2.S148 HB2 = 4.285(D), Expected = 3.88, Std = 0.2500, ChiSquare = 1.0523e-01 2.S148 HB3 = 3.479(D), Expected = 3.85, Std = 0.2700, ChiSquare = 1.6942e-01 2.S148 N = 111.994(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.2337e-01 2.A149 CA = 54.680(D), Expected = 53.14, Std = 1.9800, ChiSquare = 4.3670e-01 2.A149 CB = 18.580(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.1423e-01 2.A149 H = 8.956(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.0767e-01 2.A149 HA = 3.896(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.0808e-01 2.A149 HB1 = 1.473(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.3616e-01 2.A149 HB2 = 1.473(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.3616e-01 2.A149 HB3 = 1.473(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.3616e-01 2.A149 N = 132.864(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.4992e-03 2.K150 CA = 58.180(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.7610e-01 2.K150 CB = 34.200(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.2828e-01 2.K150 H = 6.733(D), Expected = 8.19, Std = 0.6000, ChiSquare = 1.5168e-02 2.K150 HA = 2.473(S), Expected = 4.27, Std = 0.4400, ChiSquare = 4.4250e-05 2.K150 N = 115.878(D), Expected = 121.05, Std = 3.7700, ChiSquare = 1.7010e-01 2.S151 CA = 58.088(D), Expected = 58.72, Std = 2.0700, ChiSquare = 7.6013e-01 2.S151 CB = 63.450(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.1306e-01 2.S151 H = 8.084(D), Expected = 8.28, Std = 0.5900, ChiSquare = 7.3974e-01 2.S151 HA = 4.211(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.0127e-01 2.S151 HB2 = 3.801(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.5200e-01 2.S151 HB3 = 3.410(D), Expected = 3.85, Std = 0.2700, ChiSquare = 1.0318e-01 2.S151 N = 111.501(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.7457e-01 2.K152 CA = 58.430(D), Expected = 56.95, Std = 2.2000, ChiSquare = 5.0112e-01 2.K152 CB = 28.820(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.5725e-02 2.K152 CG = 25.690(D), Expected = 24.89, Std = 1.1300, ChiSquare = 4.7897e-01 2.K152 CD = 29.310(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.4588e-01 2.K152 CE = 41.500(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.3435e-01 2.K152 H = 7.150(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.3037e-02 2.K152 HA = 3.365(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.9704e-02 2.K152 HB2 = 1.840(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.1033e-01 2.K152 HG2 = 0.999(D), Expected = 1.37, Std = 0.2600, ChiSquare = 1.5360e-01 2.K152 HD2 = 1.504(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.2993e-01 2.K152 HE2 = 2.829(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.3198e-01 2.K152 N = 116.509(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.2839e-01 2.I153 CA = 60.480(D), Expected = 61.61, Std = 2.6800, ChiSquare = 6.7329e-01 2.I153 CB = 39.330(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.2894e-01 2.I153 CG1 = 26.430(D), Expected = 27.71, Std = 1.6800, ChiSquare = 4.4612e-01 2.I153 CG2 = 16.590(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.8945e-01 2.I153 CD1 = 12.620(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.2765e-01 2.I153 H = 7.855(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.3197e-01 2.I153 HA = 3.995(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.4113e-01 2.I153 HB = 1.327(D), Expected = 1.78, Std = 0.2900, ChiSquare = 1.1827e-01 2.I153 HG12 = 1.184(D), Expected = 1.28, Std = 0.4000, ChiSquare = 8.1033e-01 2.I153 HG13 = 0.836(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.8791e-01 2.I153 HG21 = 0.661(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.8643e-01 2.I153 HG22 = 0.661(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.8643e-01 2.I153 HG23 = 0.661(D), Expected = 0.77, Std = 0.2700, ChiSquare = 6.8643e-01 2.I153 HD11 = 0.607(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0125e-01 2.I153 HD12 = 0.607(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0125e-01 2.I153 HD13 = 0.607(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.0125e-01 2.I153 N = 120.702(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.5943e-01 2.N154 CA = 54.160(D), Expected = 53.54, Std = 1.8800, ChiSquare = 7.4156e-01 2.N154 CB = 37.090(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.4377e-01 2.N154 H = 9.096(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.3014e-01 2.N154 HA = 4.743(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.3931e-01 2.N154 HB2 = 2.923(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.1547e-01 2.N154 HB3 = 2.846(D), Expected = 2.75, Std = 0.3300, ChiSquare = 7.7112e-01 2.N154 N = 122.140(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.2573e-01 2.V155 CA = 66.030(D), Expected = 62.49, Std = 2.8600, ChiSquare = 2.1580e-01 2.V155 CB = 31.220(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.9891e-01 2.V155 CG1 = 23.370(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.6686e-01 2.V155 CG2 = 21.590(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.3247e-01 2.V155 H = 7.312(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.4437e-01 2.V155 HA = 3.446(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.9958e-01 2.V155 HB = 1.844(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.7084e-01 2.V155 HG11 = 0.723(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.8068e-01 2.V155 HG12 = 0.723(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.8068e-01 2.V155 HG13 = 0.723(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.8068e-01 2.V155 HG21 = 0.962(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.6288e-01 2.V155 HG22 = 0.962(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.6288e-01 2.V155 HG23 = 0.962(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.6288e-01 2.V155 N = 115.546(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.1789e-01 2.N156 CA = 55.590(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.7553e-01 2.N156 CB = 37.100(D), Expected = 38.69, Std = 1.6900, ChiSquare = 3.4679e-01 2.N156 H = 7.821(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.1005e-01 2.N156 HA = 4.094(D), Expected = 4.67, Std = 0.3600, ChiSquare = 1.0960e-01 2.N156 HB2 = 2.387(D), Expected = 2.81, Std = 0.3100, ChiSquare = 1.7240e-01 2.N156 HB3 = 2.007(D), Expected = 2.75, Std = 0.3300, ChiSquare = 2.4353e-02 2.N156 N = 115.059(D), Expected = 118.93, Std = 4.0300, ChiSquare = 3.3678e-01 2.E157 CA = 60.610(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.1545e-01 2.E157 CB = 28.540(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.9274e-01 2.E157 H = 8.796(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.2963e-01 2.E157 HA = 3.401(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.8384e-02 2.E157 N = 116.946(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.8457e-01 2.I158 CA = 64.940(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.1404e-01 2.I158 CB = 39.280(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.4762e-01 2.I158 CG1 = 27.770(D), Expected = 27.71, Std = 1.6800, ChiSquare = 9.7151e-01 2.I158 CG2 = 16.210(D), Expected = 17.53, Std = 1.3600, ChiSquare = 3.3175e-01 2.I158 CD1 = 15.210(D), Expected = 13.43, Std = 1.6700, ChiSquare = 2.8648e-01 2.I158 H = 6.684(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.8922e-02 2.I158 HA = 2.959(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.9231e-02 2.I158 HB = 0.884(D), Expected = 1.78, Std = 0.2900, ChiSquare = 2.0039e-03 2.I158 HG12 = 1.799(D), Expected = 1.28, Std = 0.4000, ChiSquare = 1.9446e-01 2.I158 HG13 = 0.402(D), Expected = 1.19, Std = 0.4100, ChiSquare = 5.4612e-02 2.I158 HG21 = 0.598(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.2410e-01 2.I158 HG22 = 0.598(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.2410e-01 2.I158 HG23 = 0.598(D), Expected = 0.77, Std = 0.2700, ChiSquare = 5.2410e-01 2.I158 HD11 = -0.342(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.2486e-04 2.I158 HD12 = -0.342(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.2486e-04 2.I158 HD13 = -0.342(S), Expected = 0.68, Std = 0.2900, ChiSquare = 4.2486e-04 2.I158 N = 117.652(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.7362e-01 2.F159 CA = 60.440(D), Expected = 58.08, Std = 2.5700, ChiSquare = 3.5847e-01 2.F159 CB = 38.210(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.9439e-01 2.F159 H = 5.811(S), Expected = 8.36, Std = 0.7200, ChiSquare = 3.9971e-04 2.F159 HA = 3.536(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.4947e-02 2.F159 HB2 = 2.243(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.0762e-02 2.F159 HB3 = 1.789(D), Expected = 2.93, Std = 0.4000, ChiSquare = 4.3377e-03 2.F159 N = 114.436(D), Expected = 120.45, Std = 4.1800, ChiSquare = 1.5022e-01 2.Y160 CA = 58.400(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.1434e-01 2.Y160 CB = 36.090(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.3482e-01 2.Y160 H = 8.474(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.3292e-01 2.Y160 HA = 4.013(D), Expected = 4.63, Std = 0.5600, ChiSquare = 2.7055e-01 2.Y160 HB2 = 2.895(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.6766e-01 2.Y160 N = 117.788(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.1538e-01 2.D161 CA = 58.270(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.7808e-02 2.D161 CB = 41.920(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.2089e-01 2.D161 H = 7.979(D), Expected = 8.31, Std = 0.5800, ChiSquare = 5.6821e-01 2.D161 HA = 4.148(D), Expected = 4.59, Std = 0.3200, ChiSquare = 1.6720e-01 2.D161 HB2 = 2.580(D), Expected = 2.72, Std = 0.2600, ChiSquare = 5.9026e-01 2.D161 HB3 = 2.280(D), Expected = 2.66, Std = 0.2800, ChiSquare = 1.7474e-01 2.D161 N = 117.521(D), Expected = 120.65, Std = 3.8600, ChiSquare = 4.1758e-01 2.L162 CA = 58.140(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3677e-01 2.L162 CB = 42.710(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.3151e-01 2.L162 CD1 = 24.850(D), Expected = 24.72, Std = 1.5900, ChiSquare = 9.3484e-01 2.L162 H = 6.815(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.9486e-02 2.L162 HA = 3.725(D), Expected = 4.32, Std = 0.4700, ChiSquare = 2.0553e-01 2.L162 HB2 = 1.879(D), Expected = 1.61, Std = 0.3400, ChiSquare = 4.2884e-01 2.L162 HB3 = 0.925(D), Expected = 1.52, Std = 0.3600, ChiSquare = 9.8376e-02 2.L162 HD11 = 0.483(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.4030e-01 2.L162 HD12 = 0.483(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.4030e-01 2.L162 HD13 = 0.483(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.4030e-01 2.L162 N = 115.527(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.0441e-01 2.V163 CA = 67.040(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.1163e-01 2.V163 CB = 30.850(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.9359e-01 2.V163 CG1 = 23.260(D), Expected = 21.49, Std = 1.3600, ChiSquare = 1.9310e-01 2.V163 CG2 = 20.400(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.8144e-01 2.V163 H = 7.376(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7251e-01 2.V163 HA = 2.932(D), Expected = 4.19, Std = 0.5800, ChiSquare = 3.0085e-02 2.V163 HB = 1.944(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.1043e-01 2.V163 HG11 = 0.409(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.0540e-01 2.V163 HG12 = 0.409(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.0540e-01 2.V163 HG13 = 0.409(D), Expected = 0.83, Std = 0.2600, ChiSquare = 1.0540e-01 2.V163 HG21 = 0.228(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1067e-02 2.V163 HG22 = 0.228(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1067e-02 2.V163 HG23 = 0.228(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.1067e-02 2.V163 N = 118.570(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.7134e-01 2.R164 CA = 60.390(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.1709e-01 2.R164 CB = 28.960(D), Expected = 30.70, Std = 1.8300, ChiSquare = 3.4170e-01 2.R164 H = 7.774(D), Expected = 8.24, Std = 0.6100, ChiSquare = 4.4491e-01 2.R164 HA = 3.761(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.4130e-01 2.R164 N = 117.620(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.8752e-01 2.Q165 CA = 59.540(D), Expected = 56.57, Std = 2.1400, ChiSquare = 1.6518e-01 2.Q165 CB = 31.010(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.1731e-01 2.Q165 H = 8.296(D), Expected = 8.22, Std = 0.5900, ChiSquare = 8.9751e-01 2.Q165 HA = 3.887(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.8405e-01 2.Q165 N = 117.777(D), Expected = 119.89, Std = 3.6000, ChiSquare = 5.5724e-01 2.I166 CA = 64.840(D), Expected = 61.61, Std = 2.6800, ChiSquare = 2.2812e-01 2.I166 CB = 38.100(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.9303e-01 2.I166 CG2 = 17.530(D), Expected = 17.53, Std = 1.3600, ChiSquare = 1.0000e+00 2.I166 CD1 = 16.130(D), Expected = 13.43, Std = 1.6700, ChiSquare = 1.0593e-01 2.I166 H = 8.159(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.5877e-01 2.I166 HA = 3.581(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.8478e-01 2.I166 HB = 1.850(D), Expected = 1.78, Std = 0.2900, ChiSquare = 8.0926e-01 2.I166 HG21 = 0.974(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4992e-01 2.I166 HG22 = 0.974(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4992e-01 2.I166 HG23 = 0.974(D), Expected = 0.77, Std = 0.2700, ChiSquare = 4.4992e-01 2.I166 HD11 = 0.567(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9679e-01 2.I166 HD12 = 0.567(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9679e-01 2.I166 HD13 = 0.567(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9679e-01 2.I166 N = 121.353(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.8006e-01 2.N167 CA = 53.450(D), Expected = 53.54, Std = 1.8800, ChiSquare = 9.6182e-01 2.N167 CB = 37.800(D), Expected = 38.69, Std = 1.6900, ChiSquare = 5.9845e-01 2.N167 H = 7.888(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.7309e-01 2.N167 HA = 4.581(D), Expected = 4.67, Std = 0.3600, ChiSquare = 8.0474e-01 2.N167 HB2 = 2.923(D), Expected = 2.81, Std = 0.3100, ChiSquare = 7.1547e-01 2.N167 HB3 = 2.754(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.9033e-01 2.N167 N = 118.029(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.2309e-01 2.R168 CA = 58.980(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.3871e-01 2.R168 CB = 30.500(D), Expected = 30.70, Std = 1.8300, ChiSquare = 9.1297e-01 2.R168 H = 7.247(D), Expected = 8.24, Std = 0.6100, ChiSquare = 1.0355e-01 2.R168 N = 124.823(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.7430e-01