Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.216(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) 1.S2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.516(D) CB :: 63.991(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.229(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.595(D) Ave N Shift Values>> N :: 116.28(3.52) 1.M3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.47 C 0.38 Q 0.11 K 0.02 HN Overlap>> 1.S109 1.S109 C Shift Assignments>> CA :: 56.091(D) CB :: 32.280(D) CG :: 31.978(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 :: 8.563(D) HA :: 4.401(D) HB2 :: 1.951(D) HB3 :: 2.038(D) HG2 :: 2.469(D) HG3 :: 2.545(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 :: 121.950(D) Ave N Shift Values>> N :: 120.09(3.57) 1.E4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.41 C 0.35 K 0.07 I 0.06 M 0.04 Q 0.04 C Shift Assignments>> CA :: 57.223(D) CB :: 29.703(D) CG :: 36.514(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 :: 8.323(D) HA :: 4.132(D) HB2 :: 1.893(D) HB3 :: 1.975(D) HG2 :: 2.192(D) HG3 :: 2.192(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.702(D) Ave N Shift Values>> N :: 120.67(3.48) 1.D5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.31 L 0.21 N 0.11 F 0.11 Y 0.08 K 0.08 C 0.06 C Shift Assignments>> CA :: 54.544(D) CB :: 40.913(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 :: 8.081(D) HA :: 4.455(D) HB2 :: 2.471(D) HB3 :: 2.556(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 :: 120.565(D) Ave N Shift Values>> N :: 120.65(3.86) 1.Y6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.62 C 0.37 C Shift Assignments>> CA :: 58.290(D) CB :: 38.581(D) CD1 :: 133.082(D) CE1 :: 118.139(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 :: 7.914(D) HA :: 4.427(D) HB2 :: 2.910(D) HB3 :: 2.952(D) HD1 :: 7.088(D) HD2 :: 7.088(D) HE1 :: 6.849(D) HE2 :: 6.849(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.512(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.32 K 0.28 C 0.23 M 0.07 E 0.05 R 0.03 C Shift Assignments>> CA :: 55.568(D) CB :: 29.380(D) CG :: 33.655(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 :: 8.021(D) HA :: 4.153(D) HB2 :: 1.836(D) HB3 :: 1.934(D) HG2 :: 2.195(D) HG3 :: 2.195(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.489(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A8 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.87 M 0.1 C 0.01 C Shift Assignments>> CA :: 52.531(D) CB :: 19.172(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.105(D) HA :: 4.150(D) HB1 :: 1.328(D) HB2 :: 1.328(D) HB3 :: 1.328(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.378(D) Ave N Shift Values>> N :: 123.23(3.54) 1.A9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.85 M 0.11 C 0.01 C Shift Assignments>> CA :: 52.690(D) CB :: 19.133(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.151(D) HA :: 4.206(D) HB1 :: 1.349(D) HB2 :: 1.349(D) HB3 :: 1.349(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.529(D) Ave N Shift Values>> N :: 123.23(3.54) 1.E10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.14 W 0.14 H 0.13 C 0.13 R 0.13 Q 0.12 K 0.1 M 0.04 I 0.01 HN Overlap>> 1.V48 1.V48 C Shift Assignments>> CA :: 57.420(D) CB :: 29.895(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 :: 8.371(D) HA :: 4.712(D) HB2 :: 1.886(D) HB3 :: 1.962(D) HG2 :: 2.211(D) HG3 :: 2.211(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 :: 119.820(D) Ave N Shift Values>> N :: 120.67(3.48) 1.E11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.41 C 0.36 I 0.06 K 0.06 M 0.05 Q 0.03 HN Overlap>> 1.V48 1.V48 C Shift Assignments>> CA :: 57.481(D) CB :: 29.961(D) CG :: 36.518(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 :: 8.371(D) HA :: 4.689(D) HB2 :: 1.975(D) HB3 :: 2.032(D) HG2 :: 2.212(D) HG3 :: 2.212(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 :: 119.997(D) Ave N Shift Values>> N :: 120.67(3.48) 1.T12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.87 C 0.12 C Shift Assignments>> CA :: 60.996(D) CB :: 69.488(D) CG2 :: 21.662(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 :: 7.866(D) HA :: 4.304(D) HB :: 4.276(D) HG21 :: 1.076(D) HG22 :: 1.076(D) HG23 :: 1.076(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 :: 110.500(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A13 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.9 L 0.03 C 0.03 M 0.02 C Shift Assignments>> CA :: 51.835(D) CB :: 20.491(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.713(D) HA :: 4.561(D) HB1 :: 1.311(D) HB2 :: 1.311(D) HB3 :: 1.311(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.206(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.28 F 0.22 C 0.2 I 0.12 E 0.06 D 0.02 N 0.01 L 0.01 M 0.01 C Shift Assignments>> CA :: 57.978(D) CB :: 38.187(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 :: 8.738(D) HA :: 3.885(D) HB2 :: 2.345(D) HB3 :: 2.832(D) HD1 :: 6.654(D) HD2 :: 6.654(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 :: 122.698(D) Ave N Shift Values>> N :: 120.45(4.18) 1.V15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.58 C 0.41 C Shift Assignments>> CA :: 61.627(D) CB :: 31.345(D) CG1 :: 20.304(D) CG2 :: 21.137(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 :: 8.427(D) HA :: 4.061(D) HB :: 1.764(D) HG11 :: 0.731(D) HG12 :: 0.731(D) HG13 :: 0.731(D) HG21 :: 0.746(D) HG22 :: 0.746(D) HG23 :: 0.746(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 :: 131.417(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.94 C 0.05 C Shift Assignments>> CA :: 67.617(D) CB :: 31.763(D) CG1 :: 21.134(D) CG2 :: 22.605(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 :: 8.648(D) HA :: 3.184(D) HB :: 2.062(D) HG11 :: 1.009(D) HG12 :: 1.009(D) HG13 :: 1.009(D) HG21 :: 1.241(D) HG22 :: 1.241(D) HG23 :: 1.241(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 :: 129.080(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.28 Y 0.26 C 0.12 L 0.1 D 0.09 I 0.07 K 0.03 N 0.01 HN Overlap>> 1.E50 1.E50 1.M129 1.M129 C Shift Assignments>> CA :: 57.623(D) CB :: 40.218(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 :: 8.787(D) HA :: 4.250(D) HB2 :: 2.411(D) HB3 :: 2.493(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 :: 118.704(D) Ave N Shift Values>> N :: 120.65(3.86) 1.E18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.4 C 0.38 M 0.06 I 0.06 K 0.04 Q 0.03 C Shift Assignments>> CA :: 58.106(D) CB :: 30.248(D) CG :: 36.410(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 :: 6.604(D) HA :: 3.979(D) HB2 :: 1.887(D) HB3 :: 1.971(D) HG2 :: 1.951(D) HG3 :: 1.951(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.212(D) Ave N Shift Values>> N :: 120.67(3.48) 1.V19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.92 C 0.07 C Shift Assignments>> CA :: 66.491(D) CB :: 31.181(D) CG1 :: 21.089(D) CG2 :: 21.751(D) Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.375(D) HA :: 3.178(D) HB :: 1.626(D) HG11 :: 0.101(D) HG12 :: 0.101(D) HG13 :: 0.101(D) HG21 :: 0.617(D) HG22 :: 0.617(D) HG23 :: 0.617(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 :: 120.306(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.Y65 1.Y65 C Shift Assignments>> CA :: 62.098(D) CB :: 62.750(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.881(D) HA :: 3.857(D) HB2 :: 3.783(D) HB3 :: 3.783(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.603(D) Ave N Shift Values>> N :: 116.28(3.52) 1.N21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.25 F 0.2 C 0.2 N 0.08 E 0.07 I 0.06 D 0.05 L 0.02 M 0.02 C Shift Assignments>> CA :: 56.603(D) CB :: 38.135(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 :: 7.465(D) HA :: 4.361(D) HB2 :: 2.746(D) HB3 :: 2.746(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 :: 118.310(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.85 C 0.14 C Shift Assignments>> CA :: 65.363(D) CB :: 38.649(D) CG1 :: 29.826(D) CG2 :: 17.784(D) CD1 :: 14.302(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 :: 7.170(D) HA :: 3.534(D) HB :: 1.859(D) HG12 :: 0.889(D) HG13 :: 1.698(D) HG21 :: 0.773(D) HG22 :: 0.773(D) HG23 :: 0.773(D) HD11 :: 0.566(D) HD12 :: 0.566(D) HD13 :: 0.566(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 :: 121.294(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.88 C 0.11 HN Overlap>> 1.N47 1.N47 C Shift Assignments>> CA :: 66.371(D) CB :: 31.457(D) CG1 :: 22.349(D) CG2 :: 22.972(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 :: 8.223(D) HA :: 3.396(D) HB :: 2.017(D) HG11 :: 0.649(D) HG12 :: 0.649(D) HG13 :: 0.649(D) HG21 :: 0.732(D) HG22 :: 0.732(D) HG23 :: 0.732(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 :: 120.404(D) Ave N Shift Values>> N :: 121.14(4.54) 1.K24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.53 K 0.23 R 0.21 G 0.01 C Shift Assignments>> CA :: 60.848(D) CB :: 32.480(D) CG :: 26.503(D) CD :: 29.702(D) CE :: 42.212(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 :: 8.447(D) HA :: 3.585(D) HB2 :: 1.833(D) HB3 :: 1.884(D) HG2 :: 1.368(D) HG3 :: 1.582(D) HD2 :: 1.671(D) HD3 :: 1.671(D) HE2 :: 2.916(D) HE3 :: 2.916(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 :: 118.400(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 E 0.31 I 0.23 K 0.06 Q 0.02 C Shift Assignments>> CA :: 59.153(D) CB :: 28.760(D) CG :: 36.534(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 :: 7.734(D) HA :: 3.874(D) HB2 :: 1.894(D) HB3 :: 1.960(D) HG2 :: 2.068(D) HG3 :: 2.264(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 :: 117.300(D) Ave N Shift Values>> N :: 120.67(3.48) 1.A26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.46 M 0.45 C 0.03 I 0.03 C Shift Assignments>> CA :: 55.149(D) CB :: 18.581(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.900(D) HA :: 3.877(D) HB1 :: 1.325(D) HB2 :: 1.325(D) HB3 :: 1.325(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.785(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> I 0.8 C 0.19 C Shift Assignments>> CA :: 65.948(D) CB :: 39.039(D) CG1 :: 28.509(D) CG2 :: 15.045(D) CD1 :: 14.758(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 :: 8.093(D) HA :: 2.981(D) HB :: 1.126(D) HG12 :: 0.333(D) HG13 :: 1.619(D) HG21 :: -0.801(S) HG22 :: -0.801(S) HG23 :: -0.801(S) HD11 :: 0.385(D) HD12 :: 0.385(D) HD13 :: 0.385(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 :: 118.299(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E28 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>> CA :: 59.407(D) CB :: 28.717(D) CG :: 36.084(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 :: 7.839(D) HA :: 3.452(D) HB2 :: 1.881(D) HB3 :: 1.922(D) HG2 :: 2.060(D) HG3 :: 2.267(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 :: 117.899(D) Ave N Shift Values>> N :: 120.67(3.48) 1.S29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 60.842(D) CB :: 63.090(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.034(D) HA :: 3.950(D) HB2 :: 3.795(D) HB3 :: 3.795(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 :: 112.399(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.71 L 0.12 C 0.07 M 0.05 V 0.01 C Shift Assignments>> CA :: 54.053(D) CB :: 20.687(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.457(D) HA :: 4.083(D) HB1 :: 1.190(D) HB2 :: 1.190(D) HB3 :: 1.190(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.292(D) Ave N Shift Values>> N :: 123.23(3.54) 1.I31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.72 C 0.27 C Shift Assignments>> CA :: 61.792(D) CB :: 39.252(D) CG1 :: 26.322(D) CG2 :: 18.792(D) CD1 :: 13.974(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 :: 7.657(D) HA :: 3.020(D) HB :: 1.228(D) HG12 :: 0.187(D) HG13 :: 0.561(D) HG21 :: 0.159(D) HG22 :: 0.159(D) HG23 :: 0.159(D) HD11 :: 0.224(D) HD12 :: 0.224(D) HD13 :: 0.224(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 :: 110.000(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.78 C 0.09 L 0.04 A 0.03 P 0.03 C Shift Assignments>> CA :: 47.499(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.334(D) HA2 :: 3.805(D) HA3 :: 3.805(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.601(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.058(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.865(D) HA2 :: 3.975(D) HA3 :: 3.975(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.801(D) Ave N Shift Values>> N :: 109.67(3.87) 1.N34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.36 N 0.22 L 0.17 F 0.07 C 0.05 Y 0.05 K 0.04 C Shift Assignments>> CA :: 53.272(D) CB :: 40.703(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 :: 7.597(D) HA :: 4.545(D) HB2 :: 2.009(D) HB3 :: 2.303(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 :: 118.507(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.95 C 0.02 M 0.01 C Shift Assignments>> CA :: 49.906(D) CB :: 20.169(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.240(D) HA :: 4.577(D) HB1 :: 1.403(D) HB2 :: 1.403(D) HB3 :: 1.403(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.309(D) Ave N Shift Values>> N :: 123.23(3.54) 1.Y36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.57 C 0.16 Y 0.13 F 0.11 HN Overlap>> 1.S89 1.S89 C Shift Assignments>> CA :: 62.433(D) CB :: 38.698(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 :: 8.687(D) HA :: 4.050(D) HB2 :: 2.887(D) HB3 :: 3.022(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 :: 121.045(D) Ave N Shift Values>> N :: 120.52(4.2) 1.Q37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> M 0.45 C 0.28 Q 0.2 E 0.04 K 0.01 C Shift Assignments>> CA :: 54.825(D) CB :: 31.901(D) CG :: 33.820(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 :: 5.502(S) HA :: 4.232(D) HB2 :: 1.546(D) HB3 :: 1.773(D) HG2 :: 2.256(D) HG3 :: 2.348(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.686(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H38 Overall: Clerical Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Duplicate N Shifts: Duplicate HN Overlap>> 1.N101 1.N101 H Shift Assignments>> H :: 8.371(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.101(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S39 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 59.797(D) CB :: 62.507(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 3.806(D) HB2 :: 3.558(D) HB3 :: 3.691(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.K40 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.52 C 0.36 R 0.09 G 0.01 C Shift Assignments>> CA :: 55.415(D) CB :: 34.043(D) CG :: 24.750(D) CD :: 28.781(D) CE :: 42.271(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.530(D) HA :: 3.949(D) HB2 :: 1.734(D) HB3 :: 1.734(D) HG2 :: 0.878(D) HG3 :: 0.878(D) HD2 :: 1.347(D) HD3 :: 1.487(D) HE2 :: 2.791(D) HE3 :: 2.791(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.996(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V41 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>> CA :: 64.678(D) CB :: 30.501(D) CG1 :: 22.211(D) CG2 :: 18.322(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 :: 6.430(D) HA :: 3.117(D) HB :: 1.105(D) HG11 :: 0.811(D) HG12 :: 0.811(D) HG13 :: 0.811(D) HG21 :: 0.037(D) HG22 :: 0.037(D) HG23 :: 0.037(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 :: 117.680(D) Ave N Shift Values>> N :: 121.14(4.54) 1.N42 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.21 Y 0.17 N 0.16 E 0.15 F 0.12 M 0.05 D 0.03 I 0.03 L 0.01 K 0.01 C Shift Assignments>> CA :: 55.696(D) CB :: 37.472(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 :: 7.835(D) HA :: 4.430(D) HB2 :: 2.455(D) HB3 :: 2.515(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 :: 118.200(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q43 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.19 C 0.15 Q 0.12 L 0.1 W 0.09 I 0.08 K 0.07 H 0.07 E 0.07 C Shift Assignments>> CA :: 57.807(D) CB :: 27.460(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 :: 7.423(D) HA :: 4.000(D) HB2 :: 1.948(D) HB3 :: 1.948(D) Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.008(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W44 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.71 W 0.28 C Shift Assignments>> CA :: 58.520(D) CB :: 28.481(D) CZ2 :: 114.607(D) CZ3 :: 124.809(D) CH2 :: 123.796(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 :: 7.398(D) HA :: 4.458(D) HB2 :: 2.691(D) HB3 :: 3.359(D) HD1 :: 7.117(D) HE1 :: 9.989(D) HE3 :: 6.844(D) HZ2 :: 7.169(D) HZ3 :: 6.923(D) HH2 :: 7.433(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> NE1 :: 128.759(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T45 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.81 C 0.18 C Shift Assignments>> CA :: 65.389(D) CB :: 67.304(D) CG2 :: 23.069(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 :: 8.485(D) HA :: 3.835(D) HB :: 3.961(D) HG21 :: 1.223(D) HG22 :: 1.223(D) HG23 :: 1.223(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 :: 109.998(D) Ave N Shift Values>> N :: 115.42(4.75) 1.T46 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 67.060(D) CB :: 68.649(D) CG2 :: 21.604(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 :: 7.076(D) HA :: 3.486(D) HB :: 4.135(D) HG21 :: 1.096(D) HG22 :: 1.096(D) HG23 :: 1.096(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.101(D) Ave N Shift Values>> N :: 115.42(4.75) 1.N47 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Y 0.23 F 0.19 C 0.18 N 0.13 D 0.07 E 0.05 I 0.04 L 0.03 M 0.02 HN Overlap>> 1.V23 1.V23 C Shift Assignments>> CA :: 56.117(D) CB :: 38.293(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 :: 8.316(D) HA :: 4.426(D) HB2 :: 2.778(D) HB3 :: 2.937(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 :: 120.378(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V48 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.92 C 0.07 HN Overlap>> 1.K61 1.E11 1.E10 1.K61 1.E11 1.E10 C Shift Assignments>> CA :: 67.338(D) CB :: 31.695(D) CG1 :: 21.999(D) CG2 :: 23.251(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 :: 8.334(D) HA :: 3.209(D) HB :: 2.046(D) HG11 :: 0.554(D) HG12 :: 0.554(D) HG13 :: 0.554(D) HG21 :: 0.767(D) HG22 :: 0.767(D) HG23 :: 0.767(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.914(D) Ave N Shift Values>> N :: 121.14(4.54) 1.V49 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>> CA :: 67.255(D) CB :: 31.679(D) CG1 :: 21.150(D) CG2 :: 23.283(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 :: 7.586(D) HA :: 3.203(D) HB :: 2.009(D) HG11 :: 0.638(D) HG12 :: 0.638(D) HG13 :: 0.638(D) HG21 :: 0.738(D) HG22 :: 0.738(D) HG23 :: 0.738(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 :: 120.000(D) Ave N Shift Values>> N :: 121.14(4.54) 1.E50 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.22 W 0.17 I 0.12 E 0.1 R 0.08 H 0.07 K 0.06 V 0.06 Q 0.05 M 0.01 P 0.01 HN Overlap>> 1.D17 1.D17 C Shift Assignments>> CA :: 60.365(D) CB :: 29.819(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 :: 8.891(D) HA :: 4.436(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.710(D) Ave N Shift Values>> N :: 120.67(3.48) 1.Q51 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.35 Q 0.23 K 0.21 R 0.06 E 0.06 I 0.03 M 0.01 C Shift Assignments>> CA :: 59.086(D) CB :: 28.152(D) CG :: 34.011(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 :: 8.559(D) HA :: 3.967(D) HB2 :: 1.848(D) HB3 :: 2.102(D) HG2 :: 2.281(D) HG3 :: 2.315(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 :: 119.000(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T52 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 68.064(D) CB :: 68.078(D) CG2 :: 22.950(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 :: 7.711(D) HA :: 3.337(D) HB :: 3.851(D) HG21 :: 0.783(D) HG22 :: 0.783(D) HG23 :: 0.783(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.406(D) Ave N Shift Values>> N :: 115.42(4.75) 1.L53 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.44 C 0.36 K 0.15 R 0.02 G 0.01 C Shift Assignments>> CA :: 58.518(D) CB :: 42.223(D) CG :: 26.644(D) CD1 :: 25.128(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 :: 8.088(D) HA :: 3.567(D) HB2 :: 1.119(D) HB3 :: 1.799(D) HG :: 0.655(D) HD11 :: 0.644(D) HD12 :: 0.644(D) HD13 :: 0.644(D) HD21 :: 0.644(D) HD22 :: 0.644(D) HD23 :: 0.644(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 :: 119.013(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S54 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 61.723(D) CB :: 62.447(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.250(D) HA :: 4.018(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 :: 114.299(D) Ave N Shift Values>> N :: 116.28(3.52) 1.Q55 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.3 Q 0.27 K 0.26 E 0.07 M 0.03 R 0.03 I 0.01 C Shift Assignments>> CA :: 58.328(D) CB :: 29.193(D) CG :: 33.851(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 :: 7.875(D) HA :: 3.875(D) HB2 :: 1.808(D) HB3 :: 1.992(D) HG2 :: 2.323(D) HG3 :: 2.505(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 :: 118.442(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.51 C 0.47 HN Overlap>> 1.K131 1.K131 C Shift Assignments>> CA :: 57.531(D) CB :: 39.881(D) CG :: 25.632(D) CD1 :: 25.469(D) CD2 :: 23.216(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 :: 8.259(D) HA :: 3.667(D) HB2 :: -0.229(S) HB3 :: 1.128(D) HG :: 0.109(S) HD11 :: 0.101(D) HD12 :: 0.101(D) HD13 :: 0.101(D) HD21 :: 0.338(D) HD22 :: 0.338(D) HD23 :: 0.338(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 :: 119.587(D) Ave N Shift Values>> N :: 121.86(3.9) 1.T57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> T 0.96 C 0.03 HN Overlap>> 1.G123 1.G123 C Shift Assignments>> CA :: 65.352(D) CB :: 68.888(D) CG2 :: 20.546(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 :: 7.962(D) HA :: 3.885(D) HB :: 3.748(D) HG21 :: 0.366(S) HG22 :: 0.366(S) HG23 :: 0.366(S) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.745(D) Ave N Shift Values>> N :: 115.42(4.75) 1.K58 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.42 K 0.41 R 0.15 C Shift Assignments>> CA :: 58.001(D) CB :: 32.323(D) CG :: 25.500(D) CD :: 29.160(D) CE :: 42.159(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 :: 7.177(D) HA :: 3.999(D) HB2 :: 1.725(D) HB3 :: 1.854(D) HG2 :: 1.343(D) HG3 :: 1.509(D) HD2 :: 1.453(D) HD3 :: 1.525(D) HE2 :: 2.802(D) HE3 :: 2.922(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.897(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L59 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.46 L 0.42 A 0.07 R 0.02 C Shift Assignments>> CA :: 56.516(D) CB :: 41.814(D) CG :: 26.045(D) CD1 :: 21.800(D) CD2 :: 25.501(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 :: 7.276(D) HA :: 4.047(D) HB2 :: 1.267(D) HB3 :: 2.003(D) HG :: 1.841(D) HD11 :: 0.666(D) HD12 :: 0.666(D) HD13 :: 0.666(D) HD21 :: 0.669(D) HD22 :: 0.669(D) HD23 :: 0.669(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 :: 116.504(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G60 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> CA :: 46.663(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.587(D) HA2 :: 3.875(D) HA3 :: 3.875(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.900(D) Ave N Shift Values>> N :: 109.67(3.87) 1.K61 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.24 C 0.16 K 0.16 Q 0.11 H 0.1 R 0.1 W 0.06 E 0.03 HN Overlap>> 1.V48 1.V48 C Shift Assignments>> CA :: 54.203(D) CB :: 32.633(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 :: 8.256(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 :: 119.837(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P62 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> CA :: 62.639(D) CB :: 32.148(D) CG :: 27.169(D) CD :: 49.780(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.336(D) HB2 :: 1.747(D) HB3 :: 2.161(D) HG2 :: 1.905(D) HG3 :: 1.905(D) HD2 :: 3.502(D) HD3 :: 3.502(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F63 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> F 0.45 Y 0.32 C 0.17 G 0.04 C Shift Assignments>> CA :: 57.697(D) CB :: 42.821(D) CD1 :: 132.023(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 :: 8.086(D) HA :: 4.711(D) HB2 :: 1.931(D) HB3 :: 2.177(D) HD1 :: 6.676(D) HD2 :: 6.676(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 :: 124.100(D) Ave N Shift Values>> N :: 120.45(4.18) 1.K64 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.11 L 0.1 H 0.09 Q 0.09 R 0.08 K 0.07 D 0.06 E 0.06 W 0.06 C 0.05 F 0.04 Y 0.04 N 0.02 S 0.02 A 0.01 C Shift Assignments>> CA :: 55.933(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 :: 8.642(D) HA :: 4.631(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 :: 116.605(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y65 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.39 L 0.26 R 0.15 C 0.07 F 0.04 D 0.02 Y 0.02 HN Overlap>> 1.S20 1.S20 C Shift Assignments>> CA :: 56.638(D) CB :: 44.652(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 :: 8.896(D) HA :: 6.286(D) HB2 :: 2.448(D) HB3 :: 2.795(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 :: 115.600(D) Ave N Shift Values>> N :: 120.52(4.2) 1.I66 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> C 0.57 I 0.41 G 0.01 C Shift Assignments>> CA :: 60.749(D) CB :: 41.979(D) CG1 :: 28.031(D) CG2 :: 16.581(D) CD1 :: 15.545(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 :: 8.749(D) HA :: 4.401(D) HB :: 1.387(D) HG12 :: 0.892(D) HG13 :: 1.207(D) HG21 :: -0.278(S) HG22 :: -0.278(S) HG23 :: -0.278(S) HD11 :: 0.560(D) HD12 :: 0.560(D) HD13 :: 0.560(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 :: 121.323(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V67 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.65 V 0.34 HN Overlap>> 1.R98 1.R98 C Shift Assignments>> CA :: 60.526(D) CB :: 35.976(D) CG1 :: 21.543(D) CG2 :: 22.515(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 :: 8.397(D) HA :: 5.258(D) HB :: 1.597(D) HG11 :: 0.710(D) HG12 :: 0.710(D) HG13 :: 0.710(D) HG21 :: 0.780(D) HG22 :: 0.780(D) HG23 :: 0.780(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.399(D) Ave N Shift Values>> N :: 121.14(4.54) 1.T68 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.76 C 0.23 C Shift Assignments>> CA :: 59.125(D) CB :: 71.016(D) CG2 :: 20.989(D) Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.103(D) HA :: 5.175(D) HB :: 4.281(D) HG21 :: 1.144(D) HG22 :: 1.144(D) HG23 :: 1.144(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.302(D) Ave N Shift Values>> N :: 115.42(4.75) 1.C69 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.14 E 0.14 W 0.14 H 0.14 C 0.13 Q 0.11 M 0.07 K 0.06 V 0.01 I 0.01 C Shift Assignments>> CA :: 57.261(D) CB :: 30.475(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.162(D) HA :: 5.173(D) HB2 :: 2.580(D) HB3 :: 2.797(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 :: 122.348(D) Ave N Shift Values>> N :: 120.17(4.64) 1.V70 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.5 V 0.49 C Shift Assignments>> CA :: 60.733(D) CB :: 35.229(D) CG1 :: 21.439(D) CG2 :: 21.439(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 :: 8.965(D) HA :: 4.882(D) HB :: 2.125(D) HG11 :: 0.898(D) HG12 :: 0.898(D) HG13 :: 0.898(D) HG21 :: 1.004(D) HG22 :: 1.004(D) HG23 :: 1.004(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 :: 130.904(D) Ave N Shift Values>> N :: 121.14(4.54) 1.I71 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.5 C 0.49 C Shift Assignments>> CA :: 61.064(D) CB :: 41.823(D) CG1 :: 29.204(D) CG2 :: 17.817(D) CD1 :: 14.021(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 :: 9.613(D) HA :: 5.185(D) HB :: 1.559(D) HG12 :: 0.987(D) HG13 :: 1.692(D) HG21 :: 1.020(D) HG22 :: 1.020(D) HG23 :: 1.020(D) HD11 :: 0.855(D) HD12 :: 0.855(D) HD13 :: 0.855(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 :: 125.698(D) Ave N Shift Values>> N :: 121.46(4.28) 1.M72 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.51 M 0.32 C 0.16 C Shift Assignments>> CA :: 53.131(D) CB :: 31.704(D) CG :: 31.543(D) CE :: 18.280(D) Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.807(D) HA :: 5.327(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 :: 126.397(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Q73 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.31 K 0.27 C 0.23 E 0.07 R 0.05 M 0.03 C Shift Assignments>> CA :: 55.677(D) CB :: 28.737(D) CG :: 34.039(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 :: 8.272(D) HA :: 3.941(D) HB2 :: 1.847(D) HB3 :: 1.923(D) HG2 :: 2.209(D) HG3 :: 2.209(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 :: 127.607(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K74 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.21 C 0.19 M 0.18 K 0.18 R 0.05 H 0.04 W 0.03 E 0.03 V 0.02 C Shift Assignments>> CA :: 57.002(D) CB :: 33.821(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.067(D) HA :: 4.250(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 :: 127.268(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N75 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> D 0.33 L 0.22 N 0.11 K 0.1 F 0.08 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> CA :: 53.989(D) CB :: 41.190(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 :: 8.053(D) HA :: 4.473(D) HB2 :: 2.462(D) HB3 :: 2.548(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) 1.G76 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.G93 1.G93 C Shift Assignments>> CA :: 45.310(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.979(D) HA2 :: 3.582(D) HA3 :: 3.582(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.197(D) Ave N Shift Values>> N :: 109.67(3.87) 1.A77 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.91 M 0.06 C 0.01 C Shift Assignments>> CA :: 52.040(D) CB :: 19.532(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.669(D) HA :: 4.290(D) HB1 :: 1.459(D) HB2 :: 1.459(D) HB3 :: 1.459(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.500(D) Ave N Shift Values>> N :: 123.23(3.54) 1.G78 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.76 L 0.13 C 0.03 R 0.03 F 0.01 C Shift Assignments>> CA :: 45.041(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.425(D) HA2 :: 3.827(D) HA3 :: 3.827(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.300(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L79 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> G 0.44 L 0.27 C 0.2 R 0.03 A 0.03 C Shift Assignments>> CA :: 54.264(D) CB :: 44.995(D) CG :: 27.924(D) CD1 :: 26.023(D) CD2 :: 23.244(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>> HA :: 4.924(D) HB2 :: 1.453(D) HB3 :: 1.917(D) HD11 :: 0.752(D) HD12 :: 0.752(D) HD13 :: 0.752(D) HD21 :: 0.899(D) HD22 :: 0.899(D) HD23 :: 0.899(D) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) 1.H80 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.13 C 0.13 Y 0.1 F 0.1 W 0.08 I 0.06 E 0.05 K 0.04 V 0.04 T 0.04 R 0.04 H 0.03 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.357(D) Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.764(D) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 124.868(D) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T81 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.59 C 0.4 C Shift Assignments>> CA :: 59.448(D) CB :: 71.886(D) CG2 :: 22.348(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 :: 8.847(D) HA :: 5.935(D) HB :: 4.276(D) HG21 :: 1.104(D) HG22 :: 1.104(D) HG23 :: 1.104(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 :: 113.256(D) Ave N Shift Values>> N :: 115.42(4.75) 1.A82 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.43 A 0.39 C 0.13 K 0.02 C Shift Assignments>> CA :: 51.249(D) CB :: 22.716(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.006(D) HA :: 5.563(D) HB1 :: 1.248(D) HB2 :: 1.248(D) HB3 :: 1.248(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.627(D) Ave N Shift Values>> N :: 123.23(3.54) 1.S83 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.67 T 0.32 C Shift Assignments>> CA :: 57.062(D) CB :: 67.000(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.630(D) HA :: 5.458(D) HB2 :: 3.863(D) HB3 :: 3.980(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.176(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S84 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 56.853(D) CB :: 63.176(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.523(D) HA :: 4.332(D) HB2 :: 3.044(S) HB3 :: 4.023(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 :: 111.500(D) Ave N Shift Values>> N :: 116.28(3.52) 1.C85 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.25 Q 0.17 C 0.16 K 0.16 H 0.08 R 0.07 W 0.04 E 0.02 C Shift Assignments>> CA :: 54.392(D) CB :: 33.183(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.801(D) HA :: 5.271(D) HB2 :: 2.123(D) HB3 :: 2.830(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 :: 115.201(D) Ave N Shift Values>> N :: 120.17(4.64) 1.F86 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.21 F 0.2 Y 0.16 L 0.15 D 0.09 C 0.08 R 0.03 I 0.03 C Shift Assignments>> CA :: 57.497(D) CB :: 41.402(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.337(D) HA :: 5.209(D) HB2 :: 2.939(D) HB3 :: 3.146(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 :: 124.294(D) Ave N Shift Values>> N :: 120.45(4.18) 1.W87 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.65 W 0.34 C Shift Assignments>> CA :: 54.516(D) CB :: 31.542(D) CZ2 :: 114.590(D) CZ3 :: 124.085(D) CH2 :: 122.397(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 :: 8.987(D) HA :: 5.348(D) HB2 :: 2.844(D) HB3 :: 3.221(D) HD1 :: 7.393(D) HE1 :: 10.017(D) HZ2 :: 7.437(D) HZ3 :: 7.016(D) HH2 :: 7.014(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.505(D) NE1 :: 127.605(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D88 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.38 L 0.2 N 0.18 K 0.06 C 0.05 F 0.05 Y 0.03 R 0.01 C Shift Assignments>> CA :: 52.307(D) CB :: 41.355(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 :: 8.577(D) HA :: 4.998(D) HB2 :: 1.923(D) HB3 :: 2.930(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 :: 119.500(D) Ave N Shift Values>> N :: 120.65(3.86) 1.S89 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.Y36 1.Y36 C Shift Assignments>> CA :: 60.399(D) CB :: 63.253(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.700(D) HA :: 4.693(D) HB2 :: 3.591(D) HB3 :: 3.970(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 :: 121.024(D) Ave N Shift Values>> N :: 116.28(3.52) 1.S90 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 60.749(D) CB :: 63.593(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.644(D) HA :: 4.315(D) HB2 :: 3.899(D) HB3 :: 3.899(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.053(D) Ave N Shift Values>> N :: 116.28(3.52) 1.T91 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>> CA :: 62.234(D) CB :: 71.447(D) CG2 :: 20.694(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 :: 6.874(D) HA :: 4.455(D) HB :: 4.067(D) HG21 :: 0.930(D) HG22 :: 0.930(D) HG23 :: 0.930(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 :: 109.501(D) Ave N Shift Values>> N :: 115.42(4.75) 1.D92 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.32 L 0.23 K 0.11 N 0.1 F 0.08 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> CA :: 54.146(D) CB :: 41.261(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 :: 7.741(D) HA :: 4.729(D) HB2 :: 2.333(D) HB3 :: 2.807(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 :: 124.875(D) Ave N Shift Values>> N :: 120.65(3.86) 1.G93 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.85 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.G76 1.G76 C Shift Assignments>> CA :: 45.353(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.956(D) HA2 :: 4.022(D) HA3 :: 4.022(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.149(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S94 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 :: 56.572(D) CB :: 68.249(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.233(D) HA :: 5.168(D) HB2 :: 3.365(D) HB3 :: 3.848(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 :: 111.497(D) Ave N Shift Values>> N :: 116.28(3.52) 1.C95 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.14 C 0.14 W 0.14 E 0.13 Q 0.09 M 0.08 K 0.08 V 0.01 C Shift Assignments>> CA :: 57.240(D) CB :: 30.801(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.706(D) HA :: 4.731(D) HB2 :: 2.668(D) HB3 :: 2.825(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 :: 116.903(D) Ave N Shift Values>> N :: 120.17(4.64) 1.T96 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 62.371(D) CB :: 71.331(D) CG2 :: 20.452(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 :: 8.561(D) HA :: 5.108(D) HB :: 3.674(D) HG21 :: 0.814(D) HG22 :: 0.814(D) HG23 :: 0.814(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 :: 122.094(D) Ave N Shift Values>> N :: 115.42(4.75) 1.V97 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.54 C 0.45 C Shift Assignments>> CA :: 61.431(D) CB :: 35.321(D) CG1 :: 21.497(D) CG2 :: 21.497(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 :: 9.449(D) HA :: 4.218(D) HB :: 1.739(D) HG11 :: 0.802(D) HG12 :: 0.802(D) HG13 :: 0.802(D) HG21 :: 0.846(D) HG22 :: 0.846(D) HG23 :: 0.846(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 :: 129.451(D) Ave N Shift Values>> N :: 121.14(4.54) 1.R98 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.39 C 0.35 G 0.22 K 0.02 HN Overlap>> 1.V67 1.V67 C Shift Assignments>> CA :: 54.035(D) CB :: 32.611(D) CG :: 26.701(D) CD :: 43.912(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 :: 8.455(D) HA :: 5.079(D) HB2 :: 1.718(D) HB3 :: 1.718(D) HG2 :: 1.479(D) HG3 :: 1.591(D) HD2 :: 2.930(D) HD3 :: 3.042(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.494(D) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.W99 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.91 W 0.08 C Shift Assignments>> CA :: 57.786(D) CB :: 34.452(D) CE3 :: 124.209(D) CZ2 :: 113.896(D) CZ3 :: 124.600(D) CH2 :: 123.904(D) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.304(D) HA :: 4.726(D) HB2 :: 2.865(D) HB3 :: 2.951(D) HD1 :: 7.204(D) HE1 :: 10.368(D) HE3 :: 7.431(D) HZ2 :: 7.317(D) HZ3 :: 6.981(D) HH2 :: 7.086(D) Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 128.068(D) NE1 :: 130.099(D) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.E100 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.28 M 0.26 Q 0.13 K 0.11 N 0.06 Y 0.04 F 0.02 H 0.01 R 0.01 C Shift Assignments>> CA :: 54.811(D) CB :: 35.406(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 :: 7.468(D) HA :: 5.045(D) HB2 :: 1.879(D) HB3 :: 1.976(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 :: 123.736(D) Ave N Shift Values>> N :: 120.67(3.48) 1.N101 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.67 D 0.14 C 0.09 F 0.02 L 0.02 Y 0.02 HN Overlap>> 1.H38 1.H38 C Shift Assignments>> CA :: 50.652(D) CB :: 38.872(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 :: 8.380(D) HA :: 4.287(D) HB2 :: 2.490(D) HB3 :: 3.302(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 :: 122.099(D) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K102 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> C 0.47 K 0.41 R 0.1 G 0.01 C Shift Assignments>> CA :: 60.312(D) CB :: 32.669(D) CG :: 25.483(D) CD :: 29.142(D) CE :: 42.261(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 :: 8.342(D) HA :: 3.881(D) HB2 :: 1.802(D) HB3 :: 1.848(D) HG2 :: 1.357(D) HG3 :: 1.468(D) HD2 :: 1.620(D) HD3 :: 1.620(D) HE2 :: 2.909(D) HE3 :: 2.909(D) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 1.T103 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.81 C 0.18 C Shift Assignments>> CA :: 61.688(D) CB :: 72.207(D) CG2 :: 21.567(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 :: 7.679(D) HA :: 4.778(D) HB :: 4.664(D) HG21 :: 1.264(D) HG22 :: 1.264(D) HG23 :: 1.264(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 :: 101.100(D) Ave N Shift Values>> N :: 115.42(4.75) 1.M104 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.96 M 0.01 C Shift Assignments>> CA :: 56.176(D) CB :: 39.103(D) CG :: 34.124(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 :: 8.292(D) HA :: 5.267(D) HB2 :: 1.928(D) HB3 :: 2.178(D) HG2 :: 2.478(D) HG3 :: 2.560(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 :: 122.951(D) Ave N Shift Values>> N :: 120.09(3.57) 1.Y105 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.12 M 0.11 H 0.09 Q 0.08 R 0.08 D 0.07 K 0.07 W 0.05 E 0.05 C 0.05 F 0.04 Y 0.04 N 0.03 A 0.02 S 0.01 C Shift Assignments>> CA :: 55.711(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 :: 8.489(D) HA :: 5.098(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.100(D) Ave N Shift Values>> N :: 120.52(4.2) 1.C106 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.15 H 0.15 E 0.13 W 0.13 C 0.12 Q 0.11 M 0.08 K 0.07 C Shift Assignments>> CA :: 56.629(D) CB :: 30.569(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.406(D) HA :: 5.783(D) HB2 :: 2.585(D) HB3 :: 2.727(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 :: 123.098(D) Ave N Shift Values>> N :: 120.17(4.64) 1.I107 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.74 I 0.22 G 0.02 C Shift Assignments>> CA :: 60.058(D) CB :: 42.360(D) CG1 :: 28.479(D) CG2 :: 18.096(D) CD1 :: 16.358(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 :: 9.102(D) HA :: 5.180(D) HB :: 1.545(D) HG12 :: 0.944(D) HG13 :: 1.641(D) HG21 :: 0.725(D) HG22 :: 0.725(D) HG23 :: 0.725(D) HD11 :: 0.833(D) HD12 :: 0.833(D) HD13 :: 0.833(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 :: 126.943(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V108 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.73 V 0.26 C Shift Assignments>> CA :: 60.085(D) CB :: 34.564(D) CG1 :: 21.507(D) CG2 :: 24.024(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 :: 9.051(D) HA :: 5.145(D) HB :: 1.605(D) HG11 :: 0.754(D) HG12 :: 0.754(D) HG13 :: 0.754(D) HG21 :: 0.799(D) HG22 :: 0.799(D) HG23 :: 0.799(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 :: 129.881(D) Ave N Shift Values>> N :: 121.14(4.54) 1.S109 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 HN Overlap>> 1.M3 1.M3 C Shift Assignments>> CA :: 56.795(D) CB :: 65.089(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.572(D) HA :: 5.308(D) HB2 :: 3.336(D) HB3 :: 3.731(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 :: 121.903(D) Ave N Shift Values>> N :: 116.28(3.52) 1.A110 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.81 L 0.08 C 0.07 G 0.01 C Shift Assignments>> CA :: 49.635(D) CB :: 21.718(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.646(D) HA :: 5.406(D) HB1 :: 0.976(D) HB2 :: 0.976(D) HB3 :: 0.976(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.803(D) Ave N Shift Values>> N :: 123.23(3.54) 1.F111 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.26 R 0.21 K 0.16 D 0.12 F 0.09 Y 0.06 C 0.05 G 0.01 C Shift Assignments>> CA :: 56.064(D) CB :: 42.618(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.329(D) HA :: 4.952(D) HB2 :: 2.806(D) HB3 :: 2.861(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 :: 119.496(D) Ave N Shift Values>> N :: 120.45(4.18) 1.G112 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.208(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.954(D) HA2 :: 2.893(D) HA3 :: 2.893(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.702(D) Ave N Shift Values>> N :: 109.67(3.87) 1.L113 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.39 C 0.26 L 0.26 G 0.04 K 0.02 C Shift Assignments>> CA :: 52.470(D) CB :: 42.493(D) CG :: 28.922(D) CD1 :: 26.614(D) CD2 :: 24.900(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 :: 8.927(D) HA :: 4.768(D) HB2 :: 1.518(D) HB3 :: 1.706(D) HG :: 1.842(D) HD11 :: 0.988(D) HD12 :: 0.988(D) HD13 :: 0.988(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 :: 126.100(D) Ave N Shift Values>> N :: 121.86(3.9) 1.S114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.523(D) CB :: 63.185(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.275(D) HA :: 3.618(D) HB2 :: 3.503(D) HB3 :: 3.606(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 :: 119.998(D) Ave N Shift Values>> N :: 116.28(3.52) 1.I115 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.73 C 0.26 C Shift Assignments>> CA :: 62.011(D) CB :: 38.580(D) CG1 :: 26.909(D) CG2 :: 18.215(D) CD1 :: 12.595(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 :: 7.680(D) HA :: 4.072(D) HB :: 1.748(D) HG12 :: 1.071(D) HG13 :: 1.329(D) HG21 :: 0.786(D) HG22 :: 0.786(D) HG23 :: 0.786(D) HD11 :: 0.768(D) HD12 :: 0.768(D) HD13 :: 0.768(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.165(D) Ave N Shift Values>> N :: 121.46(4.28) 1.G116 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 45.001(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.148(D) HA2 :: 3.863(D) HA3 :: 3.863(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.200(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G117 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.11 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.146(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.179(D) HA2 :: 3.849(D) HA3 :: 3.849(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.682(D) Ave N Shift Values>> N :: 109.67(3.87) 1.G118 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.220(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.318(D) HA2 :: 3.830(D) HA3 :: 3.830(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.703(D) Ave N Shift Values>> N :: 109.67(3.87) 1.S119 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> S 0.99 C Shift Assignments>> CA :: 58.512(D) CB :: 63.727(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.290(D) HA :: 4.698(D) HB2 :: 3.750(D) HB3 :: 3.793(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.703(D) Ave N Shift Values>> N :: 116.28(3.52) 1.G120 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>> CA :: 45.477(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.430(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.798(D) Ave N Shift Values>> N :: 109.67(3.87) 1.Q121 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.31 K 0.28 C 0.23 E 0.07 M 0.04 R 0.04 C Shift Assignments>> CA :: 56.000(D) CB :: 29.113(D) CG :: 33.839(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 :: 8.039(D) HA :: 4.259(D) HB2 :: 1.849(D) HB3 :: 2.034(D) HG2 :: 2.210(D) HG3 :: 2.226(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 :: 119.803(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S122 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.271(D) CB :: 63.843(D) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.992(D) HA :: 4.402(D) HB2 :: 3.742(D) HB3 :: 3.789(D) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.G123 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.44 L 0.25 R 0.15 C 0.04 F 0.03 D 0.02 Y 0.01 HN Overlap>> 1.T57 1.T57 C Shift Assignments>> CA :: 44.376(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.948(D) HA2 :: 3.973(D) HA3 :: 4.031(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.673(D) Ave N Shift Values>> N :: 109.67(3.87) 1.P124 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>> CA :: 62.777(D) CB :: 31.960(D) CG :: 27.162(D) CD :: 49.771(D) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.344(D) HB2 :: 1.756(D) HB3 :: 2.161(D) HG2 :: 1.907(D) HG3 :: 1.907(D) HD2 :: 3.505(D) HD3 :: 3.505(D) Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I125 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.67 C 0.32 C Shift Assignments>> CA :: 61.233(D) CB :: 38.590(D) CG1 :: 27.406(D) CG2 :: 17.358(D) CD1 :: 13.496(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 :: 8.178(D) HA :: 3.960(D) HB :: 1.667(D) HG12 :: 1.029(D) HG13 :: 1.388(D) HG21 :: 0.723(D) HG22 :: 0.723(D) HG23 :: 0.723(D) HD11 :: 0.723(D) HD12 :: 0.723(D) HD13 :: 0.723(D) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.096(D) Ave N Shift Values>> N :: 121.46(4.28) 1.K126 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.51 C 0.34 R 0.13 C Shift Assignments>> CA :: 55.220(D) CB :: 32.660(D) CG :: 24.511(D) CD :: 29.087(D) CE :: 42.157(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 :: 8.351(D) HA :: 4.352(D) HB2 :: 1.600(D) HB3 :: 1.733(D) HG2 :: 1.252(D) HG3 :: 1.328(D) HD2 :: 1.609(D) HD3 :: 1.609(D) HE2 :: 2.921(D) HE3 :: 2.921(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 :: 128.101(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L127 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Duplicate PRTL>> L 0.58 C 0.18 R 0.11 G 0.08 A 0.02 C Shift Assignments>> CA :: 53.071(D) CB :: 43.054(D) CG :: 26.903(D) CD1 :: 24.088(D) CD2 :: 26.396(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 :: 8.003(D) HA :: 4.531(D) HB2 :: 0.245(S) HB3 :: 1.264(D) HG :: 1.345(D) HD11 :: 0.427(D) HD12 :: 0.427(D) HD13 :: 0.427(D) HD21 :: 0.712(D) HD22 :: 0.712(D) HD23 :: 0.712(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 :: 124.204(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G128 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.075(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.713(D) HA2 :: 3.962(D) HA3 :: 4.348(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.602(D) Ave N Shift Values>> N :: 109.67(3.87) 1.M129 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.51 C 0.38 Q 0.08 HN Overlap>> 1.D17 1.D17 C Shift Assignments>> CA :: 54.607(D) CB :: 33.189(D) CG :: 33.183(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 :: 8.710(D) HA :: 5.272(D) HB2 :: 2.096(D) HB3 :: 2.096(D) HG2 :: 2.828(D) HG3 :: 2.828(D) Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.699(D) Ave N Shift Values>> N :: 120.09(3.57) 1.A130 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> A 0.93 C 0.02 M 0.01 L 0.01 C Shift Assignments>> CA :: 50.938(D) CB :: 20.278(D) Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.395(D) HA :: 4.539(D) HB1 :: 0.986(D) HB2 :: 0.986(D) HB3 :: 0.986(D) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.483(D) Ave N Shift Values>> N :: 123.23(3.54) 1.K131 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> K 0.46 C 0.4 R 0.11 G 0.01 HN Overlap>> 1.L56 1.L56 C Shift Assignments>> CA :: 56.390(D) CB :: 32.611(D) CG :: 24.669(D) CD :: 29.431(D) CE :: 42.320(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 :: 8.242(D) HA :: 4.258(D) HB2 :: 1.776(D) HB3 :: 1.776(D) HG2 :: 1.430(D) HG3 :: 1.471(D) HD2 :: 1.684(D) HD3 :: 1.684(D) HE2 :: 3.003(D) HE3 :: 3.003(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 :: 119.543(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I132 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.64 C 0.35 C Shift Assignments>> CA :: 60.985(D) CB :: 37.980(D) CG1 :: 27.996(D) CG2 :: 18.017(D) CD1 :: 13.419(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 :: 8.710(D) HA :: 4.398(D) HB :: 1.895(D) HG12 :: 1.140(D) HG13 :: 1.608(D) HG21 :: 0.789(D) HG22 :: 0.789(D) HG23 :: 0.789(D) HD11 :: 0.833(D) HD12 :: 0.833(D) HD13 :: 0.833(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 :: 125.690(D) Ave N Shift Values>> N :: 121.46(4.28) 1.T133 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> T 0.93 C 0.06 C Shift Assignments>> CA :: 62.713(D) CB :: 69.734(D) CG2 :: 20.751(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 :: 8.120(D) HA :: 4.431(D) HB :: 4.002(D) HG21 :: 1.053(D) HG22 :: 1.053(D) HG23 :: 1.053(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 :: 121.801(D) Ave N Shift Values>> N :: 115.42(4.75) 1.Q134 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> M 0.43 C 0.4 E 0.09 Q 0.06 C Shift Assignments>> CA :: 54.773(D) CB :: 33.049(D) CG :: 34.929(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 :: 8.992(D) HA :: 5.184(D) HB2 :: 1.915(D) HB3 :: 2.017(D) HG2 :: 2.108(D) HG3 :: 2.213(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 :: 127.560(D) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V135 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.69 C 0.3 HN Overlap>> 1.I142 1.I142 C Shift Assignments>> CA :: 62.589(D) CB :: 33.443(D) CG1 :: 22.002(D) CG2 :: 22.000(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 :: 8.198(D) HA :: 3.953(D) HB :: 1.971(D) HG11 :: 0.524(D) HG12 :: 0.524(D) HG13 :: 0.524(D) HG21 :: 0.630(D) HG22 :: 0.630(D) HG23 :: 0.630(D) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.297(D) Ave N Shift Values>> N :: 121.14(4.54) 1.D136 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.79 L 0.13 C 0.02 D 0.01 R 0.01 C Shift Assignments>> CA :: 53.298(D) CB :: 45.261(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 :: 8.279(D) HA :: 5.167(D) HB2 :: 2.482(D) HB3 :: 2.583(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 :: 126.000(D) Ave N Shift Values>> N :: 120.65(3.86) 1.F137 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> D 0.28 N 0.21 L 0.14 F 0.13 Y 0.11 C 0.08 K 0.01 C Shift Assignments>> CA :: 54.589(D) CB :: 40.000(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 :: 8.877(D) HA :: 4.857(D) HB2 :: 2.465(D) HB3 :: 2.625(D) Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.108(D) Ave N Shift Values>> N :: 120.45(4.18) 1.P138 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P139 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R140 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.44 C 0.38 G 0.1 K 0.05 C Shift Assignments>> CA :: 55.768(D) CB :: 32.003(D) CG :: 26.610(D) CD :: 43.669(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 :: 8.334(D) HA :: 4.282(D) HB2 :: 1.643(D) HB3 :: 1.740(D) HG2 :: 1.517(D) HG3 :: 1.567(D) HD2 :: 3.090(D) HD3 :: 3.090(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 1.E141 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> Q 0.29 C 0.25 K 0.18 M 0.16 E 0.08 C Shift Assignments>> CA :: 56.256(D) CB :: 30.248(D) CG :: 33.873(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 :: 8.347(D) HA :: 4.155(D) HB2 :: 1.832(D) HB3 :: 1.935(D) HG2 :: 2.238(D) HG3 :: 2.238(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 :: 121.715(D) Ave N Shift Values>> N :: 120.67(3.48) 1.I142 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.67 C 0.32 HN Overlap>> 1.V135 1.V135 C Shift Assignments>> CA :: 61.094(D) CB :: 38.162(D) CG1 :: 27.166(D) CG2 :: 17.471(D) CD1 :: 12.383(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 :: 8.222(D) HA :: 4.076(D) HB :: 1.781(D) HG12 :: 1.069(D) HG13 :: 1.335(D) HG21 :: 0.782(D) HG22 :: 0.782(D) HG23 :: 0.782(D) HD11 :: 0.698(D) HD12 :: 0.698(D) HD13 :: 0.698(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 :: 123.235(D) Ave N Shift Values>> N :: 121.46(4.28) 1.V143 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> V 0.73 C 0.26 C Shift Assignments>> CA :: 63.391(D) CB :: 33.328(D) CG1 :: 20.160(D) CG2 :: 21.631(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 :: 7.591(D) HA :: 3.968(D) HB :: 1.977(D) HG11 :: 0.798(D) HG12 :: 0.798(D) HG13 :: 0.798(D) HG21 :: 0.798(D) HG22 :: 0.798(D) HG23 :: 0.798(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 :: 128.733(D) Ave N Shift Values>> N :: 121.14(4.54) ########################################################################### Overall Results: #Consistent: 2 #Clerical: 134 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 140 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 143 #Suspicious: 0 C Shift Results: #Consistent: 0 #Duplicate: 404 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 0 #Duplicate: 822 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 0 #Duplicate: 134 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G1 CA = 45.216(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2034e-01 1.S2 CA = 58.516(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.2150e-01 1.S2 CB = 63.991(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.9732e-01 1.S2 H = 8.229(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.3112e-01 1.S2 N = 115.595(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.4570e-01 1.M3 CA = 56.091(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.9320e-01 1.M3 CB = 32.280(D), Expected = 32.99, Std = 2.2400, ChiSquare = 7.5127e-01 1.M3 CG = 31.978(D), Expected = 32.01, Std = 1.2400, ChiSquare = 9.7941e-01 1.M3 H = 8.563(D), Expected = 8.26, Std = 0.6000, ChiSquare = 6.1356e-01 1.M3 HA = 4.401(D), Expected = 4.41, Std = 0.4800, ChiSquare = 9.8504e-01 1.M3 HB2 = 1.951(D), Expected = 2.03, Std = 0.3400, ChiSquare = 8.1626e-01 1.M3 HB3 = 2.038(D), Expected = 1.99, Std = 0.3400, ChiSquare = 8.8773e-01 1.M3 HG2 = 2.469(D), Expected = 2.42, Std = 0.3500, ChiSquare = 8.8866e-01 1.M3 HG3 = 2.545(D), Expected = 2.39, Std = 0.3800, ChiSquare = 6.8335e-01 1.M3 N = 121.950(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.0236e-01 1.E4 CA = 57.223(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.6298e-01 1.E4 CB = 29.703(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.5834e-01 1.E4 CG = 36.514(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.3424e-01 1.E4 H = 8.323(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.9053e-01 1.E4 HA = 4.132(D), Expected = 4.25, Std = 0.4100, ChiSquare = 7.7350e-01 1.E4 HB2 = 1.893(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.4534e-01 1.E4 HB3 = 1.975(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.4800e-01 1.E4 HG2 = 2.192(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.1032e-01 1.E4 HG3 = 2.192(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.9206e-01 1.E4 N = 120.702(D), Expected = 120.67, Std = 3.4800, ChiSquare = 9.9266e-01 1.D5 CA = 54.544(D), Expected = 54.69, Std = 2.0300, ChiSquare = 9.4266e-01 1.D5 CB = 40.913(D), Expected = 40.88, Std = 1.6200, ChiSquare = 9.8375e-01 1.D5 H = 8.081(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.9297e-01 1.D5 HA = 4.455(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.7312e-01 1.D5 HB2 = 2.471(D), Expected = 2.72, Std = 0.2600, ChiSquare = 3.3822e-01 1.D5 HB3 = 2.556(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.1032e-01 1.D5 N = 120.565(D), Expected = 120.65, Std = 3.8600, ChiSquare = 9.8243e-01 1.Y6 CA = 58.290(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.4917e-01 1.Y6 CB = 38.581(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.3225e-01 1.Y6 CD1 = 133.082(D), Expected = 132.77, Std = 1.1700, ChiSquare = 7.8973e-01 1.Y6 CE1 = 118.139(D), Expected = 117.93, Std = 1.1900, ChiSquare = 8.6058e-01 1.Y6 H = 7.914(D), Expected = 8.32, Std = 0.7300, ChiSquare = 5.7810e-01 1.Y6 HA = 4.427(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.1698e-01 1.Y6 HB2 = 2.910(D), Expected = 2.91, Std = 0.3700, ChiSquare = 1.0000e+00 1.Y6 HB3 = 2.952(D), Expected = 2.84, Std = 0.3900, ChiSquare = 7.7397e-01 1.Y6 HD1 = 7.088(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.9842e-01 1.Y6 HD2 = 7.088(D), Expected = 6.93, Std = 0.3000, ChiSquare = 5.9842e-01 1.Y6 HE1 = 6.849(D), Expected = 6.70, Std = 0.2300, ChiSquare = 5.1710e-01 1.Y6 HE2 = 6.849(D), Expected = 6.71, Std = 0.2300, ChiSquare = 5.4561e-01 1.Y6 N = 120.512(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.9848e-01 1.Q7 CA = 55.568(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.3962e-01 1.Q7 CB = 29.380(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.1686e-01 1.Q7 CG = 33.655(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.2464e-01 1.Q7 H = 8.021(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.3590e-01 1.Q7 HA = 4.153(D), Expected = 4.27, Std = 0.4400, ChiSquare = 7.9031e-01 1.Q7 HB2 = 1.836(D), Expected = 2.05, Std = 0.2500, ChiSquare = 3.9200e-01 1.Q7 HB3 = 1.934(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.5873e-01 1.Q7 HG2 = 2.195(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.4339e-01 1.Q7 HG3 = 2.195(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.4322e-01 1.Q7 N = 122.489(D), Expected = 119.89, Std = 3.6000, ChiSquare = 4.7033e-01 1.A8 CA = 52.531(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.5840e-01 1.A8 CB = 19.172(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.2946e-01 1.A8 H = 8.105(D), Expected = 8.20, Std = 0.6000, ChiSquare = 8.7419e-01 1.A8 HA = 4.150(D), Expected = 4.26, Std = 0.4400, ChiSquare = 8.0259e-01 1.A8 HB1 = 1.328(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.3257e-01 1.A8 HB2 = 1.328(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.3257e-01 1.A8 HB3 = 1.328(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.3257e-01 1.A8 N = 125.378(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.4400e-01 1.A9 CA = 52.690(D), Expected = 53.14, Std = 1.9800, ChiSquare = 8.2021e-01 1.A9 CB = 19.133(D), Expected = 19.01, Std = 1.8300, ChiSquare = 9.4641e-01 1.A9 H = 8.151(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.3491e-01 1.A9 HA = 4.206(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.0232e-01 1.A9 HB1 = 1.349(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.9693e-01 1.A9 HB2 = 1.349(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.9693e-01 1.A9 HB3 = 1.349(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.9693e-01 1.A9 N = 123.529(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.3269e-01 1.E10 CA = 57.420(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.6184e-01 1.E10 CB = 29.895(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.4669e-01 1.E10 H = 8.371(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4460e-01 1.E10 HA = 4.712(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.5981e-01 1.E10 HB2 = 1.886(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.2341e-01 1.E10 HB3 = 1.962(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.0311e-01 1.E10 HG2 = 2.211(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.7875e-01 1.E10 HG3 = 2.211(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.5929e-01 1.E10 N = 119.820(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.0703e-01 1.E11 CA = 57.481(D), Expected = 57.32, Std = 2.0900, ChiSquare = 9.3860e-01 1.E11 CB = 29.961(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.7727e-01 1.E11 CG = 36.518(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.3171e-01 1.E11 H = 8.371(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.4460e-01 1.E11 HA = 4.689(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.8429e-01 1.E11 HB2 = 1.975(D), Expected = 2.02, Std = 0.2100, ChiSquare = 8.3032e-01 1.E11 HB3 = 2.032(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.5511e-01 1.E11 HG2 = 2.212(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.8240e-01 1.E11 HG3 = 2.212(D), Expected = 2.25, Std = 0.2200, ChiSquare = 8.6287e-01 1.E11 N = 119.997(D), Expected = 120.67, Std = 3.4800, ChiSquare = 8.4665e-01 1.T12 CA = 60.996(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.3651e-01 1.T12 CB = 69.488(D), Expected = 69.73, Std = 1.6300, ChiSquare = 8.8197e-01 1.T12 CG2 = 21.662(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.1963e-01 1.T12 H = 7.866(D), Expected = 8.24, Std = 0.6200, ChiSquare = 5.4636e-01 1.T12 HA = 4.304(D), Expected = 4.46, Std = 0.4800, ChiSquare = 7.4518e-01 1.T12 HB = 4.276(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.4805e-01 1.T12 HG21 = 1.076(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.8081e-01 1.T12 HG22 = 1.076(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.8081e-01 1.T12 HG23 = 1.076(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.8081e-01 1.T12 N = 110.500(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.0030e-01 1.A13 CA = 51.835(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.0984e-01 1.A13 CB = 20.491(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.1835e-01 1.A13 H = 7.713(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.1698e-01 1.A13 HA = 4.561(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.9392e-01 1.A13 HB1 = 1.311(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8076e-01 1.A13 HB2 = 1.311(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8076e-01 1.A13 HB3 = 1.311(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.8076e-01 1.A13 N = 124.206(D), Expected = 123.23, Std = 3.5400, ChiSquare = 7.8277e-01 1.F14 CA = 57.978(D), Expected = 58.08, Std = 2.5700, ChiSquare = 9.6834e-01 1.F14 CB = 38.187(D), Expected = 39.99, Std = 2.0900, ChiSquare = 3.8831e-01 1.F14 H = 8.738(D), Expected = 8.36, Std = 0.7200, ChiSquare = 5.9958e-01 1.F14 HA = 3.885(D), Expected = 4.63, Std = 0.5700, ChiSquare = 1.9121e-01 1.F14 HB2 = 2.345(D), Expected = 3.00, Std = 0.3700, ChiSquare = 7.6682e-02 1.F14 HB3 = 2.832(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.0646e-01 1.F14 HD1 = 6.654(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.9030e-01 1.F14 HD2 = 6.654(D), Expected = 7.06, Std = 0.3100, ChiSquare = 1.9030e-01 1.F14 N = 122.698(D), Expected = 120.45, Std = 4.1800, ChiSquare = 5.9072e-01 1.V15 CA = 61.627(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.6284e-01 1.V15 CB = 31.345(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.3908e-01 1.V15 CG1 = 20.304(D), Expected = 21.49, Std = 1.3600, ChiSquare = 3.8318e-01 1.V15 CG2 = 21.137(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.3716e-01 1.V15 H = 8.427(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.3798e-01 1.V15 HA = 4.061(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.2399e-01 1.V15 HB = 1.764(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.9968e-01 1.V15 HG11 = 0.731(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0337e-01 1.V15 HG12 = 0.731(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0337e-01 1.V15 HG13 = 0.731(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.0337e-01 1.V15 HG21 = 0.746(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.4707e-01 1.V15 HG22 = 0.746(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.4707e-01 1.V15 HG23 = 0.746(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.4707e-01 1.V15 N = 131.417(D), Expected = 121.14, Std = 4.5400, ChiSquare = 2.3595e-02 1.V16 CA = 67.617(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.3028e-02 1.V16 CB = 31.763(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.8904e-01 1.V16 CG1 = 21.134(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.9350e-01 1.V16 CG2 = 22.605(D), Expected = 21.26, Std = 1.5600, ChiSquare = 3.8859e-01 1.V16 H = 8.648(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.9311e-01 1.V16 HA = 3.184(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.2833e-02 1.V16 HB = 2.062(D), Expected = 1.98, Std = 0.3200, ChiSquare = 7.9776e-01 1.V16 HG11 = 1.009(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.9116e-01 1.V16 HG12 = 1.009(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.9116e-01 1.V16 HG13 = 1.009(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.9116e-01 1.V16 HG21 = 1.241(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.1526e-01 1.V16 HG22 = 1.241(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.1526e-01 1.V16 HG23 = 1.241(D), Expected = 0.80, Std = 0.2800, ChiSquare = 1.1526e-01 1.V16 N = 129.080(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0309e-02 1.D17 CA = 57.623(D), Expected = 54.69, Std = 2.0300, ChiSquare = 1.4851e-01 1.D17 CB = 40.218(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.8280e-01 1.D17 H = 8.787(D), Expected = 8.31, Std = 0.5800, ChiSquare = 4.1084e-01 1.D17 HA = 4.250(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.8801e-01 1.D17 HB2 = 2.411(D), Expected = 2.72, Std = 0.2600, ChiSquare = 2.3465e-01 1.D17 HB3 = 2.493(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.5089e-01 1.D17 N = 118.704(D), Expected = 120.65, Std = 3.8600, ChiSquare = 6.1416e-01 1.E18 CA = 58.106(D), Expected = 57.32, Std = 2.0900, ChiSquare = 7.0686e-01 1.E18 CB = 30.248(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.8995e-01 1.E18 CG = 36.410(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.0096e-01 1.E18 H = 6.604(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.4399e-03 1.E18 HA = 3.979(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.0863e-01 1.E18 HB2 = 1.887(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.2652e-01 1.E18 HB3 = 1.971(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.3416e-01 1.E18 HG2 = 1.951(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.2875e-01 1.E18 HG3 = 1.951(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.7412e-01 1.E18 N = 118.212(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.7999e-01 1.V19 CA = 66.491(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.6183e-01 1.V19 CB = 31.181(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.8684e-01 1.V19 CG1 = 21.089(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.6811e-01 1.V19 CG2 = 21.751(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.5296e-01 1.V19 H = 7.375(D), Expected = 8.29, Std = 0.6700, ChiSquare = 1.7204e-01 1.V19 HA = 3.178(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.1015e-02 1.V19 HB = 1.626(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.6862e-01 1.V19 HG11 = 0.101(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.0497e-03 1.V19 HG12 = 0.101(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.0497e-03 1.V19 HG13 = 0.101(D), Expected = 0.83, Std = 0.2600, ChiSquare = 5.0497e-03 1.V19 HG21 = 0.617(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.1339e-01 1.V19 HG22 = 0.617(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.1339e-01 1.V19 HG23 = 0.617(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.1339e-01 1.V19 N = 120.306(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.5425e-01 1.S20 CA = 62.098(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.0270e-01 1.S20 CB = 62.750(D), Expected = 63.80, Std = 1.4800, ChiSquare = 4.7804e-01 1.S20 H = 8.881(D), Expected = 8.28, Std = 0.5900, ChiSquare = 3.0837e-01 1.S20 HA = 3.857(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.1935e-01 1.S20 HB2 = 3.783(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.9802e-01 1.S20 HB3 = 3.783(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.0402e-01 1.S20 N = 115.603(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.4748e-01 1.N21 CA = 56.603(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.0326e-01 1.N21 CB = 38.135(D), Expected = 38.69, Std = 1.6900, ChiSquare = 7.4261e-01 1.N21 H = 7.465(D), Expected = 8.34, Std = 0.6300, ChiSquare = 1.6487e-01 1.N21 HA = 4.361(D), Expected = 4.67, Std = 0.3600, ChiSquare = 3.9071e-01 1.N21 HB2 = 2.746(D), Expected = 2.81, Std = 0.3100, ChiSquare = 8.3644e-01 1.N21 HB3 = 2.746(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.9033e-01 1.N21 N = 118.310(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.7773e-01 1.I22 CA = 65.363(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.6140e-01 1.I22 CB = 38.649(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.9250e-01 1.I22 CG1 = 29.826(D), Expected = 27.71, Std = 1.6800, ChiSquare = 2.0784e-01 1.I22 CG2 = 17.784(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.5185e-01 1.I22 CD1 = 14.302(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.0156e-01 1.I22 H = 7.170(D), Expected = 8.28, Std = 0.6800, ChiSquare = 1.0261e-01 1.I22 HA = 3.534(D), Expected = 4.18, Std = 0.5600, ChiSquare = 2.4868e-01 1.I22 HB = 1.859(D), Expected = 1.78, Std = 0.2900, ChiSquare = 7.8530e-01 1.I22 HG12 = 0.889(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.2832e-01 1.I22 HG13 = 1.698(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.1534e-01 1.I22 HG21 = 0.773(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.9113e-01 1.I22 HG22 = 0.773(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.9113e-01 1.I22 HG23 = 0.773(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.9113e-01 1.I22 HD11 = 0.566(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9424e-01 1.I22 HD12 = 0.566(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9424e-01 1.I22 HD13 = 0.566(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.9424e-01 1.I22 N = 121.294(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.6906e-01 1.V23 CA = 66.371(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.7478e-01 1.V23 CB = 31.457(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.7698e-01 1.V23 CG1 = 22.349(D), Expected = 21.49, Std = 1.3600, ChiSquare = 5.2764e-01 1.V23 CG2 = 22.972(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.7245e-01 1.V23 H = 8.223(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.2034e-01 1.V23 HA = 3.396(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.7101e-01 1.V23 HB = 2.017(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.0795e-01 1.V23 HG11 = 0.649(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8633e-01 1.V23 HG12 = 0.649(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8633e-01 1.V23 HG13 = 0.649(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.8633e-01 1.V23 HG21 = 0.732(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0812e-01 1.V23 HG22 = 0.732(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0812e-01 1.V23 HG23 = 0.732(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.0812e-01 1.V23 N = 120.404(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.7122e-01 1.K24 CA = 60.848(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.6425e-02 1.K24 CB = 32.480(D), Expected = 32.79, Std = 1.7800, ChiSquare = 8.6174e-01 1.K24 CG = 26.503(D), Expected = 24.89, Std = 1.1300, ChiSquare = 1.5345e-01 1.K24 CD = 29.702(D), Expected = 28.96, Std = 1.0800, ChiSquare = 4.9206e-01 1.K24 CE = 42.212(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.9455e-01 1.K24 H = 8.447(D), Expected = 8.19, Std = 0.6000, ChiSquare = 6.6841e-01 1.K24 HA = 3.585(D), Expected = 4.27, Std = 0.4400, ChiSquare = 1.1951e-01 1.K24 HB2 = 1.833(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.3211e-01 1.K24 HB3 = 1.884(D), Expected = 1.74, Std = 0.2700, ChiSquare = 5.9380e-01 1.K24 HG2 = 1.368(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.9386e-01 1.K24 HG3 = 1.582(D), Expected = 1.35, Std = 0.2800, ChiSquare = 4.0735e-01 1.K24 HD2 = 1.671(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.8157e-01 1.K24 HD3 = 1.671(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.4690e-01 1.K24 HE2 = 2.916(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.8320e-01 1.K24 HE3 = 2.916(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.7607e-01 1.K24 N = 118.400(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.8211e-01 1.E25 CA = 59.153(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.8047e-01 1.E25 CB = 28.760(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.6738e-01 1.E25 CG = 36.534(D), Expected = 36.11, Std = 1.1900, ChiSquare = 7.2161e-01 1.E25 H = 7.734(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.1241e-01 1.E25 HA = 3.874(D), Expected = 4.25, Std = 0.4100, ChiSquare = 3.5910e-01 1.E25 HB2 = 1.894(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.4851e-01 1.E25 HB3 = 1.960(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.9622e-01 1.E25 HG2 = 2.068(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.3610e-01 1.E25 HG3 = 2.264(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.4926e-01 1.E25 N = 117.300(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.3285e-01 1.A26 CA = 55.149(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.1027e-01 1.A26 CB = 18.581(D), Expected = 19.01, Std = 1.8300, ChiSquare = 8.1465e-01 1.A26 H = 7.900(D), Expected = 8.20, Std = 0.6000, ChiSquare = 6.1707e-01 1.A26 HA = 3.877(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.8405e-01 1.A26 HB1 = 1.325(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2340e-01 1.A26 HB2 = 1.325(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2340e-01 1.A26 HB3 = 1.325(D), Expected = 1.35, Std = 0.2600, ChiSquare = 9.2340e-01 1.A26 N = 123.785(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.7542e-01 1.I27 CA = 65.948(D), Expected = 61.61, Std = 2.6800, ChiSquare = 1.0552e-01 1.I27 CB = 39.039(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.3955e-01 1.I27 CG1 = 28.509(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.3436e-01 1.I27 CG2 = 15.045(D), Expected = 17.53, Std = 1.3600, ChiSquare = 6.7669e-02 1.I27 CD1 = 14.758(D), Expected = 13.43, Std = 1.6700, ChiSquare = 4.2649e-01 1.I27 H = 8.093(D), Expected = 8.28, Std = 0.6800, ChiSquare = 7.8332e-01 1.I27 HA = 2.981(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.2268e-02 1.I27 HB = 1.126(D), Expected = 1.78, Std = 0.2900, ChiSquare = 2.4123e-02 1.I27 HG12 = 0.333(D), Expected = 1.28, Std = 0.4000, ChiSquare = 1.7909e-02 1.I27 HG13 = 1.619(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.9540e-01 1.I27 HG21 = -0.801(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9371e-09 1.I27 HG22 = -0.801(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9371e-09 1.I27 HG23 = -0.801(S), Expected = 0.77, Std = 0.2700, ChiSquare = 5.9371e-09 1.I27 HD11 = 0.385(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.0904e-01 1.I27 HD12 = 0.385(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.0904e-01 1.I27 HD13 = 0.385(D), Expected = 0.68, Std = 0.2900, ChiSquare = 3.0904e-01 1.I27 N = 118.299(D), Expected = 121.46, Std = 4.2800, ChiSquare = 4.6018e-01 1.E28 CA = 59.407(D), Expected = 57.32, Std = 2.0900, ChiSquare = 3.1801e-01 1.E28 CB = 28.717(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.5221e-01 1.E28 CG = 36.084(D), Expected = 36.11, Std = 1.1900, ChiSquare = 9.8257e-01 1.E28 H = 7.839(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.0529e-01 1.E28 HA = 3.452(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.1614e-02 1.E28 HB2 = 1.881(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.0803e-01 1.E28 HB3 = 1.922(D), Expected = 1.99, Std = 0.2300, ChiSquare = 7.6750e-01 1.E28 HG2 = 2.060(D), Expected = 2.27, Std = 0.2100, ChiSquare = 3.1731e-01 1.E28 HG3 = 2.267(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.3841e-01 1.E28 N = 117.899(D), Expected = 120.67, Std = 3.4800, ChiSquare = 4.2588e-01 1.S29 CA = 60.842(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.0531e-01 1.S29 CB = 63.090(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.3142e-01 1.S29 H = 8.034(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.7672e-01 1.S29 HA = 3.950(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.8517e-01 1.S29 HB2 = 3.795(D), Expected = 3.88, Std = 0.2500, ChiSquare = 7.3386e-01 1.S29 HB3 = 3.795(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.3859e-01 1.S29 N = 112.399(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.7022e-01 1.A30 CA = 54.053(D), Expected = 53.14, Std = 1.9800, ChiSquare = 6.4472e-01 1.A30 CB = 20.687(D), Expected = 19.01, Std = 1.8300, ChiSquare = 3.5946e-01 1.A30 H = 7.457(D), Expected = 8.20, Std = 0.6000, ChiSquare = 2.1559e-01 1.A30 HA = 4.083(D), Expected = 4.26, Std = 0.4400, ChiSquare = 6.8748e-01 1.A30 HB1 = 1.190(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3830e-01 1.A30 HB2 = 1.190(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3830e-01 1.A30 HB3 = 1.190(D), Expected = 1.35, Std = 0.2600, ChiSquare = 5.3830e-01 1.A30 N = 121.292(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.8406e-01 1.I31 CA = 61.792(D), Expected = 61.61, Std = 2.6800, ChiSquare = 9.4586e-01 1.I31 CB = 39.252(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.5814e-01 1.I31 CG1 = 26.322(D), Expected = 27.71, Std = 1.6800, ChiSquare = 4.0870e-01 1.I31 CG2 = 18.792(D), Expected = 17.53, Std = 1.3600, ChiSquare = 3.5344e-01 1.I31 CD1 = 13.974(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.4461e-01 1.I31 H = 7.657(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.5957e-01 1.I31 HA = 3.020(D), Expected = 4.18, Std = 0.5600, ChiSquare = 3.8319e-02 1.I31 HB = 1.228(D), Expected = 1.78, Std = 0.2900, ChiSquare = 5.6982e-02 1.I31 HG12 = 0.187(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.2856e-03 1.I31 HG13 = 0.561(D), Expected = 1.19, Std = 0.4100, ChiSquare = 1.2499e-01 1.I31 HG21 = 0.159(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3638e-02 1.I31 HG22 = 0.159(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3638e-02 1.I31 HG23 = 0.159(D), Expected = 0.77, Std = 0.2700, ChiSquare = 2.3638e-02 1.I31 HD11 = 0.224(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.1585e-01 1.I31 HD12 = 0.224(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.1585e-01 1.I31 HD13 = 0.224(D), Expected = 0.68, Std = 0.2900, ChiSquare = 1.1585e-01 1.I31 N = 110.000(D), Expected = 121.46, Std = 4.2800, ChiSquare = 7.4158e-03 1.G32 CA = 47.499(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.0877e-01 1.G32 H = 7.334(D), Expected = 8.33, Std = 0.6500, ChiSquare = 1.2545e-01 1.G32 HA2 = 3.805(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.5564e-01 1.G32 HA3 = 3.805(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.9737e-01 1.G32 N = 108.601(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.8237e-01 1.G33 CA = 45.058(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.2750e-01 1.G33 H = 8.865(D), Expected = 8.33, Std = 0.6500, ChiSquare = 4.1046e-01 1.G33 HA2 = 3.975(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.8922e-01 1.G33 HA3 = 3.975(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.3937e-01 1.G33 N = 112.801(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.1849e-01 1.N34 CA = 53.272(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.8664e-01 1.N34 CB = 40.703(D), Expected = 38.69, Std = 1.6900, ChiSquare = 2.3360e-01 1.N34 H = 7.597(D), Expected = 8.34, Std = 0.6300, ChiSquare = 2.3825e-01 1.N34 HA = 4.545(D), Expected = 4.67, Std = 0.3600, ChiSquare = 7.2842e-01 1.N34 HB2 = 2.009(D), Expected = 2.81, Std = 0.3100, ChiSquare = 9.7698e-03 1.N34 HB3 = 2.303(D), Expected = 2.75, Std = 0.3300, ChiSquare = 1.7556e-01 1.N34 N = 118.507(D), Expected = 118.93, Std = 4.0300, ChiSquare = 9.1641e-01 1.A35 CA = 49.906(D), Expected = 53.14, Std = 1.9800, ChiSquare = 1.0240e-01 1.A35 CB = 20.169(D), Expected = 19.01, Std = 1.8300, ChiSquare = 5.2652e-01 1.A35 H = 8.240(D), Expected = 8.20, Std = 0.6000, ChiSquare = 9.4685e-01 1.A35 HA = 4.577(D), Expected = 4.26, Std = 0.4400, ChiSquare = 4.7125e-01 1.A35 HB1 = 1.403(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.3847e-01 1.A35 HB2 = 1.403(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.3847e-01 1.A35 HB3 = 1.403(D), Expected = 1.35, Std = 0.2600, ChiSquare = 8.3847e-01 1.A35 N = 121.309(D), Expected = 123.23, Std = 3.5400, ChiSquare = 5.8737e-01 1.Y36 CA = 62.433(D), Expected = 58.13, Std = 2.5100, ChiSquare = 8.6466e-02 1.Y36 CB = 38.698(D), Expected = 39.32, Std = 2.1600, ChiSquare = 7.7337e-01 1.Y36 H = 8.687(D), Expected = 8.32, Std = 0.7300, ChiSquare = 6.1515e-01 1.Y36 HA = 4.050(D), Expected = 4.63, Std = 0.5600, ChiSquare = 3.0034e-01 1.Y36 HB2 = 2.887(D), Expected = 2.91, Std = 0.3700, ChiSquare = 9.5043e-01 1.Y36 HB3 = 3.022(D), Expected = 2.84, Std = 0.3900, ChiSquare = 6.4074e-01 1.Y36 N = 121.045(D), Expected = 120.52, Std = 4.2000, ChiSquare = 9.0052e-01 1.Q37 CA = 54.825(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.1483e-01 1.Q37 CB = 31.901(D), Expected = 29.19, Std = 1.8200, ChiSquare = 1.3634e-01 1.Q37 CG = 33.820(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.5689e-01 1.Q37 H = 5.502(S), Expected = 8.22, Std = 0.5900, ChiSquare = 4.0895e-06 1.Q37 HA = 4.232(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.3118e-01 1.Q37 HB2 = 1.546(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.3800e-02 1.Q37 HB3 = 1.773(D), Expected = 2.02, Std = 0.2800, ChiSquare = 3.7770e-01 1.Q37 HG2 = 2.256(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.1263e-01 1.Q37 HG3 = 2.348(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.4148e-01 1.Q37 N = 125.686(D), Expected = 119.89, Std = 3.6000, ChiSquare = 1.0740e-01 1.H38 H = 8.371(D), Expected = 8.24, Std = 0.6800, ChiSquare = 8.4724e-01 1.H38 N = 122.101(D), Expected = 119.69, Std = 4.0000, ChiSquare = 5.4668e-01 1.S39 CA = 59.797(D), Expected = 58.72, Std = 2.0700, ChiSquare = 6.0286e-01 1.S39 CB = 62.507(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.8231e-01 1.S39 HA = 3.806(D), Expected = 4.48, Std = 0.4000, ChiSquare = 9.1989e-02 1.S39 HB2 = 3.558(D), Expected = 3.88, Std = 0.2500, ChiSquare = 1.9775e-01 1.S39 HB3 = 3.691(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.5594e-01 1.K40 CA = 55.415(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.8535e-01 1.K40 CB = 34.043(D), Expected = 32.79, Std = 1.7800, ChiSquare = 4.8147e-01 1.K40 CG = 24.750(D), Expected = 24.89, Std = 1.1300, ChiSquare = 9.0140e-01 1.K40 CD = 28.781(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.6836e-01 1.K40 CE = 42.271(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.4219e-01 1.K40 H = 6.530(D), Expected = 8.19, Std = 0.6000, ChiSquare = 5.6633e-03 1.K40 HA = 3.949(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.6567e-01 1.K40 HB2 = 1.734(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.5401e-01 1.K40 HB3 = 1.734(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.8227e-01 1.K40 HG2 = 0.878(D), Expected = 1.37, Std = 0.2600, ChiSquare = 5.8450e-02 1.K40 HG3 = 0.878(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.1851e-02 1.K40 HD2 = 1.347(D), Expected = 1.61, Std = 0.2200, ChiSquare = 2.3191e-01 1.K40 HD3 = 1.487(D), Expected = 1.60, Std = 0.2200, ChiSquare = 6.0751e-01 1.K40 HE2 = 2.791(D), Expected = 2.92, Std = 0.1900, ChiSquare = 4.9717e-01 1.K40 HE3 = 2.791(D), Expected = 2.91, Std = 0.2000, ChiSquare = 5.5184e-01 1.K40 N = 117.996(D), Expected = 121.05, Std = 3.7700, ChiSquare = 4.1789e-01 1.V41 CA = 64.678(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.4425e-01 1.V41 CB = 30.501(D), Expected = 32.73, Std = 1.7900, ChiSquare = 2.1304e-01 1.V41 CG1 = 22.211(D), Expected = 21.49, Std = 1.3600, ChiSquare = 5.9601e-01 1.V41 CG2 = 18.322(D), Expected = 21.26, Std = 1.5600, ChiSquare = 5.9655e-02 1.V41 H = 6.430(D), Expected = 8.29, Std = 0.6700, ChiSquare = 5.5012e-03 1.V41 HA = 3.117(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.4314e-02 1.V41 HB = 1.105(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.2499e-03 1.V41 HG11 = 0.811(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.4175e-01 1.V41 HG12 = 0.811(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.4175e-01 1.V41 HG13 = 0.811(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.4175e-01 1.V41 HG21 = 0.037(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4301e-03 1.V41 HG22 = 0.037(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4301e-03 1.V41 HG23 = 0.037(D), Expected = 0.80, Std = 0.2800, ChiSquare = 6.4301e-03 1.V41 N = 117.680(D), Expected = 121.14, Std = 4.5400, ChiSquare = 4.4599e-01 1.N42 CA = 55.696(D), Expected = 53.54, Std = 1.8800, ChiSquare = 2.5146e-01 1.N42 CB = 37.472(D), Expected = 38.69, Std = 1.6900, ChiSquare = 4.7109e-01 1.N42 H = 7.835(D), Expected = 8.34, Std = 0.6300, ChiSquare = 4.2279e-01 1.N42 HA = 4.430(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.0499e-01 1.N42 HB2 = 2.455(D), Expected = 2.81, Std = 0.3100, ChiSquare = 2.5214e-01 1.N42 HB3 = 2.515(D), Expected = 2.75, Std = 0.3300, ChiSquare = 4.7639e-01 1.N42 N = 118.200(D), Expected = 118.93, Std = 4.0300, ChiSquare = 8.5626e-01 1.Q43 CA = 57.807(D), Expected = 56.57, Std = 2.1400, ChiSquare = 5.6324e-01 1.Q43 CB = 27.460(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.4183e-01 1.Q43 H = 7.423(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.7674e-01 1.Q43 HA = 4.000(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.3946e-01 1.Q43 HB2 = 1.948(D), Expected = 2.05, Std = 0.2500, ChiSquare = 6.8327e-01 1.Q43 HB3 = 1.948(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.9707e-01 1.Q43 N = 120.008(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.7385e-01 1.W44 CA = 58.520(D), Expected = 57.66, Std = 2.5800, ChiSquare = 7.3888e-01 1.W44 CB = 28.481(D), Expected = 30.01, Std = 2.0100, ChiSquare = 4.4684e-01 1.W44 CZ2 = 114.607(D), Expected = 114.26, Std = 1.1200, ChiSquare = 7.5670e-01 1.W44 CZ3 = 124.809(D), Expected = 121.35, Std = 1.5300, ChiSquare = 2.3773e-02 1.W44 CH2 = 123.796(D), Expected = 123.86, Std = 1.4200, ChiSquare = 9.6405e-01 1.W44 H = 7.398(D), Expected = 8.29, Std = 0.7900, ChiSquare = 2.5885e-01 1.W44 HA = 4.458(D), Expected = 4.68, Std = 0.5300, ChiSquare = 6.7531e-01 1.W44 HB2 = 2.691(D), Expected = 3.19, Std = 0.3500, ChiSquare = 1.5395e-01 1.W44 HB3 = 3.359(D), Expected = 3.12, Std = 0.3600, ChiSquare = 5.0676e-01 1.W44 HD1 = 7.117(D), Expected = 7.14, Std = 0.3600, ChiSquare = 9.4906e-01 1.W44 HE1 = 9.989(D), Expected = 10.08, Std = 0.6600, ChiSquare = 8.9034e-01 1.W44 HE3 = 6.844(D), Expected = 7.31, Std = 0.4100, ChiSquare = 2.5571e-01 1.W44 HZ2 = 7.169(D), Expected = 7.28, Std = 0.3300, ChiSquare = 7.3660e-01 1.W44 HZ3 = 6.923(D), Expected = 6.86, Std = 0.4000, ChiSquare = 8.7485e-01 1.W44 HH2 = 7.433(D), Expected = 6.98, Std = 0.3900, ChiSquare = 2.4542e-01 1.W44 NE1 = 128.759(D), Expected = 129.32, Std = 2.1100, ChiSquare = 7.9033e-01 1.T45 CA = 65.389(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.2112e-01 1.T45 CB = 67.304(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.3666e-01 1.T45 CG2 = 23.069(D), Expected = 21.55, Std = 1.1100, ChiSquare = 1.7117e-01 1.T45 H = 8.485(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.9272e-01 1.T45 HA = 3.835(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.9289e-01 1.T45 HB = 3.961(D), Expected = 4.17, Std = 0.3300, ChiSquare = 5.2652e-01 1.T45 HG21 = 1.223(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.1820e-01 1.T45 HG22 = 1.223(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.1820e-01 1.T45 HG23 = 1.223(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.1820e-01 1.T45 N = 109.998(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.5367e-01 1.T46 CA = 67.060(D), Expected = 62.22, Std = 2.5900, ChiSquare = 6.1661e-02 1.T46 CB = 68.649(D), Expected = 69.73, Std = 1.6300, ChiSquare = 5.0721e-01 1.T46 CG2 = 21.604(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.6120e-01 1.T46 H = 7.076(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.0461e-02 1.T46 HA = 3.486(D), Expected = 4.46, Std = 0.4800, ChiSquare = 4.2441e-02 1.T46 HB = 4.135(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.1553e-01 1.T46 HG21 = 1.096(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.4829e-01 1.T46 HG22 = 1.096(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.4829e-01 1.T46 HG23 = 1.096(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.4829e-01 1.T46 N = 117.101(D), Expected = 115.42, Std = 4.7500, ChiSquare = 7.2342e-01 1.N47 CA = 56.117(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.7045e-01 1.N47 CB = 38.293(D), Expected = 38.69, Std = 1.6900, ChiSquare = 8.1428e-01 1.N47 H = 8.316(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.6961e-01 1.N47 HA = 4.426(D), Expected = 4.67, Std = 0.3600, ChiSquare = 4.9791e-01 1.N47 HB2 = 2.778(D), Expected = 2.81, Std = 0.3100, ChiSquare = 9.1778e-01 1.N47 HB3 = 2.937(D), Expected = 2.75, Std = 0.3300, ChiSquare = 5.7094e-01 1.N47 N = 120.378(D), Expected = 118.93, Std = 4.0300, ChiSquare = 7.1937e-01 1.V48 CA = 67.338(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.0056e-02 1.V48 CB = 31.695(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.6312e-01 1.V48 CG1 = 21.999(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.0821e-01 1.V48 CG2 = 23.251(D), Expected = 21.26, Std = 1.5600, ChiSquare = 2.0186e-01 1.V48 H = 8.334(D), Expected = 8.29, Std = 0.6700, ChiSquare = 9.4764e-01 1.V48 HA = 3.209(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.0764e-02 1.V48 HB = 2.046(D), Expected = 1.98, Std = 0.3200, ChiSquare = 8.3660e-01 1.V48 HG11 = 0.554(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.8845e-01 1.V48 HG12 = 0.554(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.8845e-01 1.V48 HG13 = 0.554(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.8845e-01 1.V48 HG21 = 0.767(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.0618e-01 1.V48 HG22 = 0.767(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.0618e-01 1.V48 HG23 = 0.767(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.0618e-01 1.V48 N = 119.914(D), Expected = 121.14, Std = 4.5400, ChiSquare = 7.8713e-01 1.V49 CA = 67.255(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.5697e-02 1.V49 CB = 31.679(D), Expected = 32.73, Std = 1.7900, ChiSquare = 5.5710e-01 1.V49 CG1 = 21.150(D), Expected = 21.49, Std = 1.3600, ChiSquare = 8.0259e-01 1.V49 CG2 = 23.283(D), Expected = 21.26, Std = 1.5600, ChiSquare = 1.9470e-01 1.V49 H = 7.586(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.9338e-01 1.V49 HA = 3.203(D), Expected = 4.19, Std = 0.5800, ChiSquare = 8.8807e-02 1.V49 HB = 2.009(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.2779e-01 1.V49 HG11 = 0.638(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.6023e-01 1.V49 HG12 = 0.638(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.6023e-01 1.V49 HG13 = 0.638(D), Expected = 0.83, Std = 0.2600, ChiSquare = 4.6023e-01 1.V49 HG21 = 0.738(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.2476e-01 1.V49 HG22 = 0.738(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.2476e-01 1.V49 HG23 = 0.738(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.2476e-01 1.V49 N = 120.000(D), Expected = 121.14, Std = 4.5400, ChiSquare = 8.0174e-01 1.E50 CA = 60.365(D), Expected = 57.32, Std = 2.0900, ChiSquare = 1.4513e-01 1.E50 CB = 29.819(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.1158e-01 1.E50 H = 8.891(D), Expected = 8.33, Std = 0.5900, ChiSquare = 3.4168e-01 1.E50 HA = 4.436(D), Expected = 4.25, Std = 0.4100, ChiSquare = 6.5007e-01 1.E50 N = 118.710(D), Expected = 120.67, Std = 3.4800, ChiSquare = 5.7329e-01 1.Q51 CA = 59.086(D), Expected = 56.57, Std = 2.1400, ChiSquare = 2.3971e-01 1.Q51 CB = 28.152(D), Expected = 29.19, Std = 1.8200, ChiSquare = 5.6845e-01 1.Q51 CG = 34.011(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.2110e-01 1.Q51 H = 8.559(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.6558e-01 1.Q51 HA = 3.967(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.9105e-01 1.Q51 HB2 = 1.848(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.1909e-01 1.Q51 HB3 = 2.102(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.6963e-01 1.Q51 HG2 = 2.281(D), Expected = 2.32, Std = 0.2700, ChiSquare = 8.8515e-01 1.Q51 HG3 = 2.315(D), Expected = 2.29, Std = 0.2900, ChiSquare = 9.3130e-01 1.Q51 N = 119.000(D), Expected = 119.89, Std = 3.6000, ChiSquare = 8.0474e-01 1.T52 CA = 68.064(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.4047e-02 1.T52 CB = 68.078(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.1082e-01 1.T52 CG2 = 22.950(D), Expected = 21.55, Std = 1.1100, ChiSquare = 2.0721e-01 1.T52 H = 7.711(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.9353e-01 1.T52 HA = 3.337(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.9305e-02 1.T52 HB = 3.851(D), Expected = 4.17, Std = 0.3300, ChiSquare = 3.3371e-01 1.T52 HG21 = 0.783(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.2062e-01 1.T52 HG22 = 0.783(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.2062e-01 1.T52 HG23 = 0.783(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.2062e-01 1.T52 N = 115.406(D), Expected = 115.42, Std = 4.7500, ChiSquare = 9.9765e-01 1.L53 CA = 58.518(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.7365e-01 1.L53 CB = 42.223(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.6309e-01 1.L53 CG = 26.644(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.0160e-01 1.L53 CD1 = 25.128(D), Expected = 24.72, Std = 1.5900, ChiSquare = 7.9748e-01 1.L53 H = 8.088(D), Expected = 8.23, Std = 0.6500, ChiSquare = 8.2707e-01 1.L53 HA = 3.567(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.0913e-01 1.L53 HB2 = 1.119(D), Expected = 1.61, Std = 0.3400, ChiSquare = 1.4871e-01 1.L53 HB3 = 1.799(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.3834e-01 1.L53 HG = 0.655(D), Expected = 1.51, Std = 0.3300, ChiSquare = 9.5723e-03 1.L53 HD11 = 0.644(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0501e-01 1.L53 HD12 = 0.644(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0501e-01 1.L53 HD13 = 0.644(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.0501e-01 1.L53 HD21 = 0.644(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.6681e-01 1.L53 HD22 = 0.644(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.6681e-01 1.L53 HD23 = 0.644(D), Expected = 0.73, Std = 0.2900, ChiSquare = 7.6681e-01 1.L53 N = 119.013(D), Expected = 121.86, Std = 3.9000, ChiSquare = 4.6539e-01 1.S54 CA = 61.723(D), Expected = 58.72, Std = 2.0700, ChiSquare = 1.4686e-01 1.S54 CB = 62.447(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.6062e-01 1.S54 H = 8.250(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.5945e-01 1.S54 HA = 4.018(D), Expected = 4.48, Std = 0.4000, ChiSquare = 2.4809e-01 1.S54 N = 114.299(D), Expected = 116.28, Std = 3.5200, ChiSquare = 5.7358e-01 1.Q55 CA = 58.328(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.1136e-01 1.Q55 CB = 29.193(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.9868e-01 1.Q55 CG = 33.851(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.3466e-01 1.Q55 H = 7.875(D), Expected = 8.22, Std = 0.5900, ChiSquare = 5.5872e-01 1.Q55 HA = 3.875(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.6933e-01 1.Q55 HB2 = 1.808(D), Expected = 2.05, Std = 0.2500, ChiSquare = 3.3304e-01 1.Q55 HB3 = 1.992(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.2034e-01 1.Q55 HG2 = 2.323(D), Expected = 2.32, Std = 0.2700, ChiSquare = 9.9113e-01 1.Q55 HG3 = 2.505(D), Expected = 2.29, Std = 0.2900, ChiSquare = 4.5846e-01 1.Q55 N = 118.442(D), Expected = 119.89, Std = 3.6000, ChiSquare = 6.8752e-01 1.L56 CA = 57.531(D), Expected = 55.62, Std = 2.1300, ChiSquare = 3.6962e-01 1.L56 CB = 39.881(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.9635e-01 1.L56 CG = 25.632(D), Expected = 26.78, Std = 1.1000, ChiSquare = 2.9665e-01 1.L56 CD1 = 25.469(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.3759e-01 1.L56 CD2 = 23.216(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.2372e-01 1.L56 H = 8.259(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6441e-01 1.L56 HA = 3.667(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.6472e-01 1.L56 HB2 = -0.229(S), Expected = 1.61, Std = 0.3400, ChiSquare = 6.3440e-08 1.L56 HB3 = 1.128(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.7620e-01 1.L56 HG = 0.109(S), Expected = 1.51, Std = 0.3300, ChiSquare = 2.1815e-05 1.L56 HD11 = 0.101(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.0457e-02 1.L56 HD12 = 0.101(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.0457e-02 1.L56 HD13 = 0.101(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.0457e-02 1.L56 HD21 = 0.338(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.7646e-01 1.L56 HD22 = 0.338(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.7646e-01 1.L56 HD23 = 0.338(D), Expected = 0.73, Std = 0.2900, ChiSquare = 1.7646e-01 1.L56 N = 119.587(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.6001e-01 1.T57 CA = 65.352(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.2656e-01 1.T57 CB = 68.888(D), Expected = 69.73, Std = 1.6300, ChiSquare = 6.0546e-01 1.T57 CG2 = 20.546(D), Expected = 21.55, Std = 1.1100, ChiSquare = 3.6573e-01 1.T57 H = 7.962(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.5387e-01 1.T57 HA = 3.885(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.3095e-01 1.T57 HB = 3.748(D), Expected = 4.17, Std = 0.3300, ChiSquare = 2.0097e-01 1.T57 HG21 = 0.366(S), Expected = 1.14, Std = 0.2300, ChiSquare = 7.6483e-04 1.T57 HG22 = 0.366(S), Expected = 1.14, Std = 0.2300, ChiSquare = 7.6483e-04 1.T57 HG23 = 0.366(S), Expected = 1.14, Std = 0.2300, ChiSquare = 7.6483e-04 1.T57 N = 110.745(D), Expected = 115.42, Std = 4.7500, ChiSquare = 3.2501e-01 1.K58 CA = 58.001(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.3284e-01 1.K58 CB = 32.323(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.9304e-01 1.K58 CG = 25.500(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.8932e-01 1.K58 CD = 29.160(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.5308e-01 1.K58 CE = 42.159(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.4287e-01 1.K58 H = 7.177(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.1347e-02 1.K58 HA = 3.999(D), Expected = 4.27, Std = 0.4400, ChiSquare = 5.3795e-01 1.K58 HB2 = 1.725(D), Expected = 1.78, Std = 0.2500, ChiSquare = 8.2587e-01 1.K58 HB3 = 1.854(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.7286e-01 1.K58 HG2 = 1.343(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.1729e-01 1.K58 HG3 = 1.509(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.7013e-01 1.K58 HD2 = 1.453(D), Expected = 1.61, Std = 0.2200, ChiSquare = 4.7545e-01 1.K58 HD3 = 1.525(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.3317e-01 1.K58 HE2 = 2.802(D), Expected = 2.92, Std = 0.1900, ChiSquare = 5.3457e-01 1.K58 HE3 = 2.922(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.5216e-01 1.K58 N = 121.897(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2224e-01 1.L59 CA = 56.516(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.7401e-01 1.L59 CB = 41.814(D), Expected = 42.31, Std = 1.8800, ChiSquare = 7.9191e-01 1.L59 CG = 26.045(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.0402e-01 1.L59 CD1 = 21.800(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.6287e-02 1.L59 CD2 = 25.501(D), Expected = 24.05, Std = 1.7000, ChiSquare = 3.9337e-01 1.L59 H = 7.276(D), Expected = 8.23, Std = 0.6500, ChiSquare = 1.4219e-01 1.L59 HA = 4.047(D), Expected = 4.32, Std = 0.4700, ChiSquare = 5.6134e-01 1.L59 HB2 = 1.267(D), Expected = 1.61, Std = 0.3400, ChiSquare = 3.1306e-01 1.L59 HB3 = 2.003(D), Expected = 1.52, Std = 0.3600, ChiSquare = 1.7970e-01 1.L59 HG = 1.841(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.1585e-01 1.L59 HD11 = 0.666(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.6418e-01 1.L59 HD12 = 0.666(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.6418e-01 1.L59 HD13 = 0.666(D), Expected = 0.75, Std = 0.2800, ChiSquare = 7.6418e-01 1.L59 HD21 = 0.669(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3340e-01 1.L59 HD22 = 0.669(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3340e-01 1.L59 HD23 = 0.669(D), Expected = 0.73, Std = 0.2900, ChiSquare = 8.3340e-01 1.L59 N = 116.504(D), Expected = 121.86, Std = 3.9000, ChiSquare = 1.6965e-01 1.G60 CA = 46.663(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.2716e-01 1.G60 H = 7.587(D), Expected = 8.33, Std = 0.6500, ChiSquare = 2.5301e-01 1.G60 HA2 = 3.875(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.9737e-01 1.G60 HA3 = 3.875(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.4613e-01 1.G60 N = 103.900(D), Expected = 109.67, Std = 3.8700, ChiSquare = 1.3597e-01 1.K61 CA = 54.203(D), Expected = 56.95, Std = 2.2000, ChiSquare = 2.1180e-01 1.K61 CB = 32.633(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.2972e-01 1.K61 H = 8.256(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.1241e-01 1.K61 N = 119.837(D), Expected = 121.05, Std = 3.7700, ChiSquare = 7.4764e-01 1.P62 CA = 62.639(D), Expected = 63.33, Std = 1.5200, ChiSquare = 6.4939e-01 1.P62 CB = 32.148(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.0062e-01 1.P62 CG = 27.169(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.9927e-01 1.P62 CD = 49.780(D), Expected = 50.32, Std = 0.9900, ChiSquare = 5.8544e-01 1.P62 HA = 4.336(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.4622e-01 1.P62 HB2 = 1.747(D), Expected = 2.08, Std = 0.3500, ChiSquare = 3.4139e-01 1.P62 HB3 = 2.161(D), Expected = 2.00, Std = 0.3600, ChiSquare = 6.5471e-01 1.P62 HG2 = 1.905(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.3572e-01 1.P62 HG3 = 1.905(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.8791e-01 1.P62 HD2 = 3.502(D), Expected = 3.65, Std = 0.3500, ChiSquare = 6.7240e-01 1.P62 HD3 = 3.502(D), Expected = 3.61, Std = 0.3900, ChiSquare = 7.8184e-01 1.F63 CA = 57.697(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.8153e-01 1.F63 CB = 42.821(D), Expected = 39.99, Std = 2.0900, ChiSquare = 1.7556e-01 1.F63 CD1 = 132.023(D), Expected = 131.58, Std = 1.1800, ChiSquare = 7.0735e-01 1.F63 H = 8.086(D), Expected = 8.36, Std = 0.7200, ChiSquare = 7.0353e-01 1.F63 HA = 4.711(D), Expected = 4.63, Std = 0.5700, ChiSquare = 8.8700e-01 1.F63 HB2 = 1.931(D), Expected = 3.00, Std = 0.3700, ChiSquare = 3.8624e-03 1.F63 HB3 = 2.177(D), Expected = 2.93, Std = 0.4000, ChiSquare = 5.9768e-02 1.F63 HD1 = 6.676(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.1545e-01 1.F63 HD2 = 6.676(D), Expected = 7.06, Std = 0.3100, ChiSquare = 2.1545e-01 1.F63 N = 124.100(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.8255e-01 1.K64 CA = 55.933(D), Expected = 56.95, Std = 2.2000, ChiSquare = 6.4389e-01 1.K64 H = 8.642(D), Expected = 8.19, Std = 0.6000, ChiSquare = 4.5125e-01 1.K64 HA = 4.631(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.1196e-01 1.K64 N = 116.605(D), Expected = 121.05, Std = 3.7700, ChiSquare = 2.3838e-01 1.Y65 CA = 56.638(D), Expected = 58.13, Std = 2.5100, ChiSquare = 5.5223e-01 1.Y65 CB = 44.652(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.3567e-02 1.Y65 H = 8.896(D), Expected = 8.32, Std = 0.7300, ChiSquare = 4.3009e-01 1.Y65 HA = 6.286(D), Expected = 4.63, Std = 0.5600, ChiSquare = 3.1050e-03 1.Y65 HB2 = 2.448(D), Expected = 2.91, Std = 0.3700, ChiSquare = 2.1179e-01 1.Y65 HB3 = 2.795(D), Expected = 2.84, Std = 0.3900, ChiSquare = 9.0814e-01 1.Y65 N = 115.600(D), Expected = 120.52, Std = 4.2000, ChiSquare = 2.4143e-01 1.I66 CA = 60.749(D), Expected = 61.61, Std = 2.6800, ChiSquare = 7.4801e-01 1.I66 CB = 41.979(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.7333e-02 1.I66 CG1 = 28.031(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.4847e-01 1.I66 CG2 = 16.581(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.8531e-01 1.I66 CD1 = 15.545(D), Expected = 13.43, Std = 1.6700, ChiSquare = 2.0535e-01 1.I66 H = 8.749(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.9038e-01 1.I66 HA = 4.401(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.9311e-01 1.I66 HB = 1.387(D), Expected = 1.78, Std = 0.2900, ChiSquare = 1.7536e-01 1.I66 HG12 = 0.892(D), Expected = 1.28, Std = 0.4000, ChiSquare = 3.3205e-01 1.I66 HG13 = 1.207(D), Expected = 1.19, Std = 0.4100, ChiSquare = 9.6693e-01 1.I66 HG21 = -0.278(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0382e-04 1.I66 HG22 = -0.278(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0382e-04 1.I66 HG23 = -0.278(S), Expected = 0.77, Std = 0.2700, ChiSquare = 1.0382e-04 1.I66 HD11 = 0.560(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.7903e-01 1.I66 HD12 = 0.560(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.7903e-01 1.I66 HD13 = 0.560(D), Expected = 0.68, Std = 0.2900, ChiSquare = 6.7903e-01 1.I66 N = 121.323(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.7446e-01 1.V67 CA = 60.526(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.9226e-01 1.V67 CB = 35.976(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.9769e-02 1.V67 CG1 = 21.543(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.6891e-01 1.V67 CG2 = 22.515(D), Expected = 21.26, Std = 1.5600, ChiSquare = 4.2112e-01 1.V67 H = 8.397(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.7312e-01 1.V67 HA = 5.258(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.5566e-02 1.V67 HB = 1.597(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.3136e-01 1.V67 HG11 = 0.710(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4441e-01 1.V67 HG12 = 0.710(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4441e-01 1.V67 HG13 = 0.710(D), Expected = 0.83, Std = 0.2600, ChiSquare = 6.4441e-01 1.V67 HG21 = 0.780(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4306e-01 1.V67 HG22 = 0.780(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4306e-01 1.V67 HG23 = 0.780(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.4306e-01 1.V67 N = 125.399(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.4819e-01 1.T68 CA = 59.125(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.3209e-01 1.T68 CB = 71.016(D), Expected = 69.73, Std = 1.6300, ChiSquare = 4.3014e-01 1.T68 CG2 = 20.989(D), Expected = 21.55, Std = 1.1100, ChiSquare = 6.1327e-01 1.T68 H = 9.103(D), Expected = 8.24, Std = 0.6200, ChiSquare = 1.6394e-01 1.T68 HA = 5.175(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.3633e-01 1.T68 HB = 4.281(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.3660e-01 1.T68 HG21 = 1.144(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.8612e-01 1.T68 HG22 = 1.144(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.8612e-01 1.T68 HG23 = 1.144(D), Expected = 1.14, Std = 0.2300, ChiSquare = 9.8612e-01 1.T68 N = 116.302(D), Expected = 115.42, Std = 4.7500, ChiSquare = 8.5269e-01 1.C69 CA = 57.261(D), Expected = 58.30, Std = 3.3300, ChiSquare = 7.5503e-01 1.C69 CB = 30.475(D), Expected = 32.49, Std = 6.0100, ChiSquare = 7.3742e-01 1.C69 H = 9.162(D), Expected = 8.39, Std = 0.6700, ChiSquare = 2.4922e-01 1.C69 HA = 5.173(D), Expected = 4.66, Std = 0.5500, ChiSquare = 3.5096e-01 1.C69 HB2 = 2.580(D), Expected = 2.96, Std = 0.4400, ChiSquare = 3.8779e-01 1.C69 HB3 = 2.797(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.3978e-01 1.C69 N = 122.348(D), Expected = 120.17, Std = 4.6400, ChiSquare = 6.3879e-01 1.V70 CA = 60.733(D), Expected = 62.49, Std = 2.8600, ChiSquare = 5.3899e-01 1.V70 CB = 35.229(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.6269e-01 1.V70 CG1 = 21.439(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.7009e-01 1.V70 CG2 = 21.439(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.0865e-01 1.V70 H = 8.965(D), Expected = 8.29, Std = 0.6700, ChiSquare = 3.1371e-01 1.V70 HA = 4.882(D), Expected = 4.19, Std = 0.5800, ChiSquare = 2.3283e-01 1.V70 HB = 2.125(D), Expected = 1.98, Std = 0.3200, ChiSquare = 6.5046e-01 1.V70 HG11 = 0.898(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.9368e-01 1.V70 HG12 = 0.898(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.9368e-01 1.V70 HG13 = 0.898(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.9368e-01 1.V70 HG21 = 1.004(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.6626e-01 1.V70 HG22 = 1.004(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.6626e-01 1.V70 HG23 = 1.004(D), Expected = 0.80, Std = 0.2800, ChiSquare = 4.6626e-01 1.V70 N = 130.904(D), Expected = 121.14, Std = 4.5400, ChiSquare = 3.1503e-02 1.I71 CA = 61.064(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.3856e-01 1.I71 CB = 41.823(D), Expected = 38.63, Std = 2.0200, ChiSquare = 1.1395e-01 1.I71 CG1 = 29.204(D), Expected = 27.71, Std = 1.6800, ChiSquare = 3.7385e-01 1.I71 CG2 = 17.817(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.3286e-01 1.I71 CD1 = 14.021(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.2342e-01 1.I71 H = 9.613(D), Expected = 8.28, Std = 0.6800, ChiSquare = 4.9961e-02 1.I71 HA = 5.185(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.2711e-02 1.I71 HB = 1.559(D), Expected = 1.78, Std = 0.2900, ChiSquare = 4.4602e-01 1.I71 HG12 = 0.987(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.6386e-01 1.I71 HG13 = 1.692(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.2080e-01 1.I71 HG21 = 1.020(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.5448e-01 1.I71 HG22 = 1.020(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.5448e-01 1.I71 HG23 = 1.020(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.5448e-01 1.I71 HD11 = 0.855(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.4621e-01 1.I71 HD12 = 0.855(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.4621e-01 1.I71 HD13 = 0.855(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.4621e-01 1.I71 N = 125.698(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.2208e-01 1.M72 CA = 53.131(D), Expected = 56.11, Std = 2.2300, ChiSquare = 1.8159e-01 1.M72 CB = 31.704(D), Expected = 32.99, Std = 2.2400, ChiSquare = 5.6590e-01 1.M72 CG = 31.543(D), Expected = 32.01, Std = 1.2400, ChiSquare = 7.0646e-01 1.M72 CE = 18.280(D), Expected = 17.07, Std = 1.5800, ChiSquare = 4.4378e-01 1.M72 H = 8.807(D), Expected = 8.26, Std = 0.6000, ChiSquare = 3.6194e-01 1.M72 HA = 5.327(D), Expected = 4.41, Std = 0.4800, ChiSquare = 5.6080e-02 1.M72 N = 126.397(D), Expected = 120.09, Std = 3.5700, ChiSquare = 7.7284e-02 1.Q73 CA = 55.677(D), Expected = 56.57, Std = 2.1400, ChiSquare = 6.7647e-01 1.Q73 CB = 28.737(D), Expected = 29.19, Std = 1.8200, ChiSquare = 8.0344e-01 1.Q73 CG = 34.039(D), Expected = 33.76, Std = 1.1100, ChiSquare = 8.0154e-01 1.Q73 H = 8.272(D), Expected = 8.22, Std = 0.5900, ChiSquare = 9.2977e-01 1.Q73 HA = 3.941(D), Expected = 4.27, Std = 0.4400, ChiSquare = 4.5462e-01 1.Q73 HB2 = 1.847(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.1679e-01 1.Q73 HB3 = 1.923(D), Expected = 2.02, Std = 0.2800, ChiSquare = 7.2902e-01 1.Q73 HG2 = 2.209(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.8099e-01 1.Q73 HG3 = 2.209(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.8001e-01 1.Q73 N = 127.607(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.2064e-02 1.K74 CA = 57.002(D), Expected = 56.95, Std = 2.2000, ChiSquare = 9.8114e-01 1.K74 CB = 33.821(D), Expected = 32.79, Std = 1.7800, ChiSquare = 5.6245e-01 1.K74 H = 8.067(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.3757e-01 1.K74 HA = 4.250(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.6375e-01 1.K74 N = 127.268(D), Expected = 121.05, Std = 3.7700, ChiSquare = 9.9079e-02 1.N75 CA = 53.989(D), Expected = 53.54, Std = 1.8800, ChiSquare = 8.1124e-01 1.N75 CB = 41.190(D), Expected = 38.69, Std = 1.6900, ChiSquare = 1.3906e-01 1.N75 H = 8.053(D), Expected = 8.34, Std = 0.6300, ChiSquare = 6.4871e-01 1.N75 HA = 4.473(D), Expected = 4.67, Std = 0.3600, ChiSquare = 5.8423e-01 1.N75 HB2 = 2.462(D), Expected = 2.81, Std = 0.3100, ChiSquare = 2.6162e-01 1.N75 HB3 = 2.548(D), Expected = 2.75, Std = 0.3300, ChiSquare = 5.4046e-01 1.G76 CA = 45.310(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.7619e-01 1.G76 H = 7.979(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.8920e-01 1.G76 HA2 = 3.582(D), Expected = 3.97, Std = 0.3700, ChiSquare = 2.9434e-01 1.G76 HA3 = 3.582(D), Expected = 3.90, Std = 0.3700, ChiSquare = 3.9009e-01 1.G76 N = 105.197(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4776e-01 1.A77 CA = 52.040(D), Expected = 53.14, Std = 1.9800, ChiSquare = 5.7851e-01 1.A77 CB = 19.532(D), Expected = 19.01, Std = 1.8300, ChiSquare = 7.7546e-01 1.A77 H = 7.669(D), Expected = 8.20, Std = 0.6000, ChiSquare = 3.7616e-01 1.A77 HA = 4.290(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.4564e-01 1.A77 HB1 = 1.459(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.7505e-01 1.A77 HB2 = 1.459(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.7505e-01 1.A77 HB3 = 1.459(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.7505e-01 1.A77 N = 123.500(D), Expected = 123.23, Std = 3.5400, ChiSquare = 9.3920e-01 1.G78 CA = 45.041(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.1763e-01 1.G78 H = 8.425(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.8380e-01 1.G78 HA2 = 3.827(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.9914e-01 1.G78 HA3 = 3.827(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.4359e-01 1.G78 N = 109.300(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.2383e-01 1.L79 CA = 54.264(D), Expected = 55.62, Std = 2.1300, ChiSquare = 5.2437e-01 1.L79 CB = 44.995(D), Expected = 42.31, Std = 1.8800, ChiSquare = 1.5324e-01 1.L79 CG = 27.924(D), Expected = 26.78, Std = 1.1000, ChiSquare = 2.9834e-01 1.L79 CD1 = 26.023(D), Expected = 24.72, Std = 1.5900, ChiSquare = 4.1250e-01 1.L79 CD2 = 23.244(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.3542e-01 1.L79 HA = 4.924(D), Expected = 4.32, Std = 0.4700, ChiSquare = 1.9875e-01 1.L79 HB2 = 1.453(D), Expected = 1.61, Std = 0.3400, ChiSquare = 6.4425e-01 1.L79 HB3 = 1.917(D), Expected = 1.52, Std = 0.3600, ChiSquare = 2.7012e-01 1.L79 HD11 = 0.752(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.9430e-01 1.L79 HD12 = 0.752(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.9430e-01 1.L79 HD13 = 0.752(D), Expected = 0.75, Std = 0.2800, ChiSquare = 9.9430e-01 1.L79 HD21 = 0.899(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6006e-01 1.L79 HD22 = 0.899(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6006e-01 1.L79 HD23 = 0.899(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.6006e-01 1.H80 CA = 59.357(D), Expected = 56.52, Std = 2.3100, ChiSquare = 2.1939e-01 1.H80 H = 8.764(D), Expected = 8.24, Std = 0.6800, ChiSquare = 4.4095e-01 1.H80 N = 124.868(D), Expected = 119.69, Std = 4.0000, ChiSquare = 1.9549e-01 1.T81 CA = 59.448(D), Expected = 62.22, Std = 2.5900, ChiSquare = 2.8450e-01 1.T81 CB = 71.886(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.8594e-01 1.T81 CG2 = 22.348(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.7219e-01 1.T81 H = 8.847(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.2756e-01 1.T81 HA = 5.935(D), Expected = 4.46, Std = 0.4800, ChiSquare = 2.1198e-03 1.T81 HB = 4.276(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.4805e-01 1.T81 HG21 = 1.104(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7562e-01 1.T81 HG22 = 1.104(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7562e-01 1.T81 HG23 = 1.104(D), Expected = 1.14, Std = 0.2300, ChiSquare = 8.7562e-01 1.T81 N = 113.256(D), Expected = 115.42, Std = 4.7500, ChiSquare = 6.4869e-01 1.A82 CA = 51.249(D), Expected = 53.14, Std = 1.9800, ChiSquare = 3.3955e-01 1.A82 CB = 22.716(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.2853e-02 1.A82 H = 9.006(D), Expected = 8.20, Std = 0.6000, ChiSquare = 1.7916e-01 1.A82 HA = 5.563(D), Expected = 4.26, Std = 0.4400, ChiSquare = 3.0628e-03 1.A82 HB1 = 1.248(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.9483e-01 1.A82 HB2 = 1.248(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.9483e-01 1.A82 HB3 = 1.248(D), Expected = 1.35, Std = 0.2600, ChiSquare = 6.9483e-01 1.A82 N = 122.627(D), Expected = 123.23, Std = 3.5400, ChiSquare = 8.6474e-01 1.S83 CA = 57.062(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.2315e-01 1.S83 CB = 67.000(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.0606e-02 1.S83 H = 8.630(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.5303e-01 1.S83 HA = 5.458(D), Expected = 4.48, Std = 0.4000, ChiSquare = 1.4485e-02 1.S83 HB2 = 3.863(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.4579e-01 1.S83 HB3 = 3.980(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.3017e-01 1.S83 N = 112.176(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.4365e-01 1.S84 CA = 56.853(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.6709e-01 1.S84 CB = 63.176(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.7330e-01 1.S84 H = 8.523(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.8044e-01 1.S84 HA = 4.332(D), Expected = 4.48, Std = 0.4000, ChiSquare = 7.1138e-01 1.S84 HB2 = 3.044(S), Expected = 3.88, Std = 0.2500, ChiSquare = 8.2580e-04 1.S84 HB3 = 4.023(D), Expected = 3.85, Std = 0.2700, ChiSquare = 5.2169e-01 1.S84 N = 111.500(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.7448e-01 1.C85 CA = 54.392(D), Expected = 58.30, Std = 3.3300, ChiSquare = 2.4057e-01 1.C85 CB = 33.183(D), Expected = 32.49, Std = 6.0100, ChiSquare = 9.0820e-01 1.C85 H = 7.801(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.7934e-01 1.C85 HA = 5.271(D), Expected = 4.66, Std = 0.5500, ChiSquare = 2.6661e-01 1.C85 HB2 = 2.123(D), Expected = 2.96, Std = 0.4400, ChiSquare = 5.7136e-02 1.C85 HB3 = 2.830(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.9622e-01 1.C85 N = 115.201(D), Expected = 120.17, Std = 4.6400, ChiSquare = 2.8421e-01 1.F86 CA = 57.497(D), Expected = 58.08, Std = 2.5700, ChiSquare = 8.2054e-01 1.F86 CB = 41.402(D), Expected = 39.99, Std = 2.0900, ChiSquare = 4.9930e-01 1.F86 H = 9.337(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.7480e-01 1.F86 HA = 5.209(D), Expected = 4.63, Std = 0.5700, ChiSquare = 3.0973e-01 1.F86 HB2 = 2.939(D), Expected = 3.00, Std = 0.3700, ChiSquare = 8.6905e-01 1.F86 HB3 = 3.146(D), Expected = 2.93, Std = 0.4000, ChiSquare = 5.8920e-01 1.F86 N = 124.294(D), Expected = 120.45, Std = 4.1800, ChiSquare = 3.5777e-01 1.W87 CA = 54.516(D), Expected = 57.66, Std = 2.5800, ChiSquare = 2.2299e-01 1.W87 CB = 31.542(D), Expected = 30.01, Std = 2.0100, ChiSquare = 4.4595e-01 1.W87 CZ2 = 114.590(D), Expected = 114.26, Std = 1.1200, ChiSquare = 7.6827e-01 1.W87 CZ3 = 124.085(D), Expected = 121.35, Std = 1.5300, ChiSquare = 7.3844e-02 1.W87 CH2 = 122.397(D), Expected = 123.86, Std = 1.4200, ChiSquare = 3.0288e-01 1.W87 H = 8.987(D), Expected = 8.29, Std = 0.7900, ChiSquare = 3.7763e-01 1.W87 HA = 5.348(D), Expected = 4.68, Std = 0.5300, ChiSquare = 2.0753e-01 1.W87 HB2 = 2.844(D), Expected = 3.19, Std = 0.3500, ChiSquare = 3.2287e-01 1.W87 HB3 = 3.221(D), Expected = 3.12, Std = 0.3600, ChiSquare = 7.7905e-01 1.W87 HD1 = 7.393(D), Expected = 7.14, Std = 0.3600, ChiSquare = 4.8219e-01 1.W87 HE1 = 10.017(D), Expected = 10.08, Std = 0.6600, ChiSquare = 9.2395e-01 1.W87 HZ2 = 7.437(D), Expected = 7.28, Std = 0.3300, ChiSquare = 6.3425e-01 1.W87 HZ3 = 7.016(D), Expected = 6.86, Std = 0.4000, ChiSquare = 6.9654e-01 1.W87 HH2 = 7.014(D), Expected = 6.98, Std = 0.3900, ChiSquare = 9.3053e-01 1.W87 N = 122.505(D), Expected = 121.68, Std = 4.1800, ChiSquare = 8.4354e-01 1.W87 NE1 = 127.605(D), Expected = 129.32, Std = 2.1100, ChiSquare = 4.1634e-01 1.D88 CA = 52.307(D), Expected = 54.69, Std = 2.0300, ChiSquare = 2.4044e-01 1.D88 CB = 41.355(D), Expected = 40.88, Std = 1.6200, ChiSquare = 7.6936e-01 1.D88 H = 8.577(D), Expected = 8.31, Std = 0.5800, ChiSquare = 6.4527e-01 1.D88 HA = 4.998(D), Expected = 4.59, Std = 0.3200, ChiSquare = 2.0231e-01 1.D88 HB2 = 1.923(D), Expected = 2.72, Std = 0.2600, ChiSquare = 2.1739e-03 1.D88 HB3 = 2.930(D), Expected = 2.66, Std = 0.2800, ChiSquare = 3.3490e-01 1.D88 N = 119.500(D), Expected = 120.65, Std = 3.8600, ChiSquare = 7.6576e-01 1.S89 CA = 60.399(D), Expected = 58.72, Std = 2.0700, ChiSquare = 4.1730e-01 1.S89 CB = 63.253(D), Expected = 63.80, Std = 1.4800, ChiSquare = 7.1168e-01 1.S89 H = 8.700(D), Expected = 8.28, Std = 0.5900, ChiSquare = 4.7655e-01 1.S89 HA = 4.693(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.9438e-01 1.S89 HB2 = 3.591(D), Expected = 3.88, Std = 0.2500, ChiSquare = 2.4768e-01 1.S89 HB3 = 3.970(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.5672e-01 1.S89 N = 121.024(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.7775e-01 1.S90 CA = 60.749(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.2699e-01 1.S90 CB = 63.593(D), Expected = 63.80, Std = 1.4800, ChiSquare = 8.8877e-01 1.S90 H = 8.644(D), Expected = 8.28, Std = 0.5900, ChiSquare = 5.3727e-01 1.S90 HA = 4.315(D), Expected = 4.48, Std = 0.4000, ChiSquare = 6.7997e-01 1.S90 HB2 = 3.899(D), Expected = 3.88, Std = 0.2500, ChiSquare = 9.3942e-01 1.S90 HB3 = 3.899(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.5599e-01 1.S90 N = 117.053(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.2618e-01 1.T91 CA = 62.234(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.9569e-01 1.T91 CB = 71.447(D), Expected = 69.73, Std = 1.6300, ChiSquare = 2.9217e-01 1.T91 CG2 = 20.694(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.4061e-01 1.T91 H = 6.874(D), Expected = 8.24, Std = 0.6200, ChiSquare = 2.7579e-02 1.T91 HA = 4.455(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.9169e-01 1.T91 HB = 4.067(D), Expected = 4.17, Std = 0.3300, ChiSquare = 7.5495e-01 1.T91 HG21 = 0.930(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.6122e-01 1.T91 HG22 = 0.930(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.6122e-01 1.T91 HG23 = 0.930(D), Expected = 1.14, Std = 0.2300, ChiSquare = 3.6122e-01 1.T91 N = 109.501(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.1273e-01 1.D92 CA = 54.146(D), Expected = 54.69, Std = 2.0300, ChiSquare = 7.8871e-01 1.D92 CB = 41.261(D), Expected = 40.88, Std = 1.6200, ChiSquare = 8.1406e-01 1.D92 H = 7.741(D), Expected = 8.31, Std = 0.5800, ChiSquare = 3.2658e-01 1.D92 HA = 4.729(D), Expected = 4.59, Std = 0.3200, ChiSquare = 6.6402e-01 1.D92 HB2 = 2.333(D), Expected = 2.72, Std = 0.2600, ChiSquare = 1.3663e-01 1.D92 HB3 = 2.807(D), Expected = 2.66, Std = 0.2800, ChiSquare = 5.9958e-01 1.D92 N = 124.875(D), Expected = 120.65, Std = 3.8600, ChiSquare = 2.7371e-01 1.G93 CA = 45.353(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.9821e-01 1.G93 H = 7.956(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.6503e-01 1.G93 HA2 = 4.022(D), Expected = 3.97, Std = 0.3700, ChiSquare = 8.8823e-01 1.G93 HA3 = 4.022(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.4160e-01 1.G93 N = 105.149(D), Expected = 109.67, Std = 3.8700, ChiSquare = 2.4272e-01 1.S94 CA = 56.572(D), Expected = 58.72, Std = 2.0700, ChiSquare = 2.9942e-01 1.S94 CB = 68.249(D), Expected = 63.80, Std = 1.4800, ChiSquare = 2.6464e-03 1.S94 H = 8.233(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.3651e-01 1.S94 HA = 5.168(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.5432e-02 1.S94 HB2 = 3.365(D), Expected = 3.88, Std = 0.2500, ChiSquare = 3.9399e-02 1.S94 HB3 = 3.848(D), Expected = 3.85, Std = 0.2700, ChiSquare = 9.9409e-01 1.S94 N = 111.497(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.7421e-01 1.C95 CA = 57.240(D), Expected = 58.30, Std = 3.3300, ChiSquare = 7.5024e-01 1.C95 CB = 30.801(D), Expected = 32.49, Std = 6.0100, ChiSquare = 7.7869e-01 1.C95 H = 8.706(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.3718e-01 1.C95 HA = 4.731(D), Expected = 4.66, Std = 0.5500, ChiSquare = 8.9729e-01 1.C95 HB2 = 2.668(D), Expected = 2.96, Std = 0.4400, ChiSquare = 5.0692e-01 1.C95 HB3 = 2.825(D), Expected = 2.89, Std = 0.4600, ChiSquare = 8.8763e-01 1.C95 N = 116.903(D), Expected = 120.17, Std = 4.6400, ChiSquare = 4.8137e-01 1.T96 CA = 62.371(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.5351e-01 1.T96 CB = 71.331(D), Expected = 69.73, Std = 1.6300, ChiSquare = 3.2600e-01 1.T96 CG2 = 20.452(D), Expected = 21.55, Std = 1.1100, ChiSquare = 3.2257e-01 1.T96 H = 8.561(D), Expected = 8.24, Std = 0.6200, ChiSquare = 6.0464e-01 1.T96 HA = 5.108(D), Expected = 4.46, Std = 0.4800, ChiSquare = 1.7702e-01 1.T96 HB = 3.674(D), Expected = 4.17, Std = 0.3300, ChiSquare = 1.3283e-01 1.T96 HG21 = 0.814(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.5637e-01 1.T96 HG22 = 0.814(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.5637e-01 1.T96 HG23 = 0.814(D), Expected = 1.14, Std = 0.2300, ChiSquare = 1.5637e-01 1.T96 N = 122.094(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.6001e-01 1.V97 CA = 61.431(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.1117e-01 1.V97 CB = 35.321(D), Expected = 32.73, Std = 1.7900, ChiSquare = 1.4776e-01 1.V97 CG1 = 21.497(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.9589e-01 1.V97 CG2 = 21.497(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.7925e-01 1.V97 H = 9.449(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.3657e-02 1.V97 HA = 4.218(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.6150e-01 1.V97 HB = 1.739(D), Expected = 1.98, Std = 0.3200, ChiSquare = 4.5138e-01 1.V97 HG11 = 0.802(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.1424e-01 1.V97 HG12 = 0.802(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.1424e-01 1.V97 HG13 = 0.802(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.1424e-01 1.V97 HG21 = 0.846(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.6951e-01 1.V97 HG22 = 0.846(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.6951e-01 1.V97 HG23 = 0.846(D), Expected = 0.80, Std = 0.2800, ChiSquare = 8.6951e-01 1.V97 N = 129.451(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.7158e-02 1.R98 CA = 54.035(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.3642e-01 1.R98 CB = 32.611(D), Expected = 30.70, Std = 1.8300, ChiSquare = 2.9636e-01 1.R98 CG = 26.701(D), Expected = 27.21, Std = 1.2000, ChiSquare = 6.7144e-01 1.R98 CD = 43.912(D), Expected = 43.16, Std = 0.8800, ChiSquare = 3.9280e-01 1.R98 H = 8.455(D), Expected = 8.24, Std = 0.6100, ChiSquare = 7.2449e-01 1.R98 HA = 5.079(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.0364e-02 1.R98 HB2 = 1.718(D), Expected = 1.79, Std = 0.2700, ChiSquare = 7.8973e-01 1.R98 HB3 = 1.718(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.8076e-01 1.R98 HG2 = 1.479(D), Expected = 1.57, Std = 0.2700, ChiSquare = 7.3609e-01 1.R98 HG3 = 1.591(D), Expected = 1.54, Std = 0.2900, ChiSquare = 8.6040e-01 1.R98 HD2 = 2.930(D), Expected = 3.12, Std = 0.2400, ChiSquare = 4.2856e-01 1.R98 HD3 = 3.042(D), Expected = 3.10, Std = 0.2600, ChiSquare = 8.2348e-01 1.R98 N = 125.494(D), Expected = 120.80, Std = 3.6800, ChiSquare = 2.0212e-01 1.W99 CA = 57.786(D), Expected = 57.66, Std = 2.5800, ChiSquare = 9.6105e-01 1.W99 CB = 34.452(D), Expected = 30.01, Std = 2.0100, ChiSquare = 2.7109e-02 1.W99 CE3 = 124.209(D), Expected = 120.43, Std = 1.7900, ChiSquare = 3.4757e-02 1.W99 CZ2 = 113.896(D), Expected = 114.26, Std = 1.1200, ChiSquare = 7.4518e-01 1.W99 CZ3 = 124.600(D), Expected = 121.35, Std = 1.5300, ChiSquare = 3.3655e-02 1.W99 CH2 = 123.904(D), Expected = 123.86, Std = 1.4200, ChiSquare = 9.7528e-01 1.W99 H = 9.304(D), Expected = 8.29, Std = 0.7900, ChiSquare = 1.9930e-01 1.W99 HA = 4.726(D), Expected = 4.68, Std = 0.5300, ChiSquare = 9.3084e-01 1.W99 HB2 = 2.865(D), Expected = 3.19, Std = 0.3500, ChiSquare = 3.5311e-01 1.W99 HB3 = 2.951(D), Expected = 3.12, Std = 0.3600, ChiSquare = 6.3875e-01 1.W99 HD1 = 7.204(D), Expected = 7.14, Std = 0.3600, ChiSquare = 8.5890e-01 1.W99 HE1 = 10.368(D), Expected = 10.08, Std = 0.6600, ChiSquare = 6.6257e-01 1.W99 HE3 = 7.431(D), Expected = 7.31, Std = 0.4100, ChiSquare = 7.6790e-01 1.W99 HZ2 = 7.317(D), Expected = 7.28, Std = 0.3300, ChiSquare = 9.1073e-01 1.W99 HZ3 = 6.981(D), Expected = 6.86, Std = 0.4000, ChiSquare = 7.6227e-01 1.W99 HH2 = 7.086(D), Expected = 6.98, Std = 0.3900, ChiSquare = 7.8578e-01 1.W99 N = 128.068(D), Expected = 121.68, Std = 4.1800, ChiSquare = 1.2646e-01 1.W99 NE1 = 130.099(D), Expected = 129.32, Std = 2.1100, ChiSquare = 7.1198e-01 1.E100 CA = 54.811(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.2995e-01 1.E100 CB = 35.406(D), Expected = 30.01, Std = 1.7200, ChiSquare = 1.7056e-03 1.E100 H = 7.468(D), Expected = 8.33, Std = 0.5900, ChiSquare = 1.4401e-01 1.E100 HA = 5.045(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.2498e-02 1.E100 HB2 = 1.879(D), Expected = 2.02, Std = 0.2100, ChiSquare = 5.0195e-01 1.E100 HB3 = 1.976(D), Expected = 1.99, Std = 0.2300, ChiSquare = 9.5146e-01 1.E100 N = 123.736(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.7830e-01 1.N101 CA = 50.652(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.2450e-01 1.N101 CB = 38.872(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.1424e-01 1.N101 H = 8.380(D), Expected = 8.34, Std = 0.6300, ChiSquare = 9.4937e-01 1.N101 HA = 4.287(D), Expected = 4.67, Std = 0.3600, ChiSquare = 2.8738e-01 1.N101 HB2 = 2.490(D), Expected = 2.81, Std = 0.3100, ChiSquare = 3.0195e-01 1.N101 HB3 = 3.302(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.4381e-02 1.N101 N = 122.099(D), Expected = 118.93, Std = 4.0300, ChiSquare = 4.3166e-01 1.K102 CA = 60.312(D), Expected = 56.95, Std = 2.2000, ChiSquare = 1.2647e-01 1.K102 CB = 32.669(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.4580e-01 1.K102 CG = 25.483(D), Expected = 24.89, Std = 1.1300, ChiSquare = 5.9974e-01 1.K102 CD = 29.142(D), Expected = 28.96, Std = 1.0800, ChiSquare = 8.6618e-01 1.K102 CE = 42.261(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.5095e-01 1.K102 H = 8.342(D), Expected = 8.19, Std = 0.6000, ChiSquare = 8.0001e-01 1.K102 HA = 3.881(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.7665e-01 1.K102 HB2 = 1.802(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.2988e-01 1.K102 HB3 = 1.848(D), Expected = 1.74, Std = 0.2700, ChiSquare = 6.8916e-01 1.K102 HG2 = 1.357(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.6012e-01 1.K102 HG3 = 1.468(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.7344e-01 1.K102 HD2 = 1.620(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.6375e-01 1.K102 HD3 = 1.620(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.2757e-01 1.K102 HE2 = 2.909(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.5383e-01 1.K102 HE3 = 2.909(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.9601e-01 1.T103 CA = 61.688(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.3726e-01 1.T103 CB = 72.207(D), Expected = 69.73, Std = 1.6300, ChiSquare = 1.2860e-01 1.T103 CG2 = 21.567(D), Expected = 21.55, Std = 1.1100, ChiSquare = 9.8778e-01 1.T103 H = 7.679(D), Expected = 8.24, Std = 0.6200, ChiSquare = 3.6555e-01 1.T103 HA = 4.778(D), Expected = 4.46, Std = 0.4800, ChiSquare = 5.0765e-01 1.T103 HB = 4.664(D), Expected = 4.17, Std = 0.3300, ChiSquare = 1.3440e-01 1.T103 HG21 = 1.264(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.8980e-01 1.T103 HG22 = 1.264(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.8980e-01 1.T103 HG23 = 1.264(D), Expected = 1.14, Std = 0.2300, ChiSquare = 5.8980e-01 1.T103 N = 101.100(D), Expected = 115.42, Std = 4.7500, ChiSquare = 2.5720e-03 1.M104 CA = 56.176(D), Expected = 56.11, Std = 2.2300, ChiSquare = 9.7639e-01 1.M104 CB = 39.103(D), Expected = 32.99, Std = 2.2400, ChiSquare = 6.3523e-03 1.M104 CG = 34.124(D), Expected = 32.01, Std = 1.2400, ChiSquare = 8.8225e-02 1.M104 H = 8.292(D), Expected = 8.26, Std = 0.6000, ChiSquare = 9.5747e-01 1.M104 HA = 5.267(D), Expected = 4.41, Std = 0.4800, ChiSquare = 7.4194e-02 1.M104 HB2 = 1.928(D), Expected = 2.03, Std = 0.3400, ChiSquare = 7.6418e-01 1.M104 HB3 = 2.178(D), Expected = 1.99, Std = 0.3400, ChiSquare = 5.8030e-01 1.M104 HG2 = 2.478(D), Expected = 2.42, Std = 0.3500, ChiSquare = 8.6838e-01 1.M104 HG3 = 2.560(D), Expected = 2.39, Std = 0.3800, ChiSquare = 6.5461e-01 1.M104 N = 122.951(D), Expected = 120.09, Std = 3.5700, ChiSquare = 4.2290e-01 1.Y105 CA = 55.711(D), Expected = 58.13, Std = 2.5100, ChiSquare = 3.3517e-01 1.Y105 H = 8.489(D), Expected = 8.32, Std = 0.7300, ChiSquare = 8.1692e-01 1.Y105 HA = 5.098(D), Expected = 4.63, Std = 0.5600, ChiSquare = 4.0332e-01 1.Y105 N = 118.100(D), Expected = 120.52, Std = 4.2000, ChiSquare = 5.6449e-01 1.C106 CA = 56.629(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.1581e-01 1.C106 CB = 30.569(D), Expected = 32.49, Std = 6.0100, ChiSquare = 7.4925e-01 1.C106 H = 9.406(D), Expected = 8.39, Std = 0.6700, ChiSquare = 1.2941e-01 1.C106 HA = 5.783(D), Expected = 4.66, Std = 0.5500, ChiSquare = 4.1170e-02 1.C106 HB2 = 2.585(D), Expected = 2.96, Std = 0.4400, ChiSquare = 3.9406e-01 1.C106 HB3 = 2.727(D), Expected = 2.89, Std = 0.4600, ChiSquare = 7.2308e-01 1.C106 N = 123.098(D), Expected = 120.17, Std = 4.6400, ChiSquare = 5.2802e-01 1.I107 CA = 60.058(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.6252e-01 1.I107 CB = 42.360(D), Expected = 38.63, Std = 2.0200, ChiSquare = 6.4815e-02 1.I107 CG1 = 28.479(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.4714e-01 1.I107 CG2 = 18.096(D), Expected = 17.53, Std = 1.3600, ChiSquare = 6.7728e-01 1.I107 CD1 = 16.358(D), Expected = 13.43, Std = 1.6700, ChiSquare = 7.9552e-02 1.I107 H = 9.102(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.2673e-01 1.I107 HA = 5.180(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.4146e-02 1.I107 HB = 1.545(D), Expected = 1.78, Std = 0.2900, ChiSquare = 4.1774e-01 1.I107 HG12 = 0.944(D), Expected = 1.28, Std = 0.4000, ChiSquare = 4.0091e-01 1.I107 HG13 = 1.641(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.7133e-01 1.I107 HG21 = 0.725(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6763e-01 1.I107 HG22 = 0.725(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6763e-01 1.I107 HG23 = 0.725(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6763e-01 1.I107 HD11 = 0.833(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9779e-01 1.I107 HD12 = 0.833(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9779e-01 1.I107 HD13 = 0.833(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9779e-01 1.I107 N = 126.943(D), Expected = 121.46, Std = 4.2800, ChiSquare = 2.0017e-01 1.V108 CA = 60.085(D), Expected = 62.49, Std = 2.8600, ChiSquare = 4.0040e-01 1.V108 CB = 34.564(D), Expected = 32.73, Std = 1.7900, ChiSquare = 3.0556e-01 1.V108 CG1 = 21.507(D), Expected = 21.49, Std = 1.3600, ChiSquare = 9.9003e-01 1.V108 CG2 = 24.024(D), Expected = 21.26, Std = 1.5600, ChiSquare = 7.6429e-02 1.V108 H = 9.051(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.5603e-01 1.V108 HA = 5.145(D), Expected = 4.19, Std = 0.5800, ChiSquare = 9.9650e-02 1.V108 HB = 1.605(D), Expected = 1.98, Std = 0.3200, ChiSquare = 2.4125e-01 1.V108 HG11 = 0.754(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.7005e-01 1.V108 HG12 = 0.754(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.7005e-01 1.V108 HG13 = 0.754(D), Expected = 0.83, Std = 0.2600, ChiSquare = 7.7005e-01 1.V108 HG21 = 0.799(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9715e-01 1.V108 HG22 = 0.799(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9715e-01 1.V108 HG23 = 0.799(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9715e-01 1.V108 N = 129.881(D), Expected = 121.14, Std = 4.5400, ChiSquare = 5.4188e-02 1.S109 CA = 56.795(D), Expected = 58.72, Std = 2.0700, ChiSquare = 3.5240e-01 1.S109 CB = 65.089(D), Expected = 63.80, Std = 1.4800, ChiSquare = 3.8378e-01 1.S109 H = 8.572(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.2066e-01 1.S109 HA = 5.308(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.8452e-02 1.S109 HB2 = 3.336(D), Expected = 3.88, Std = 0.2500, ChiSquare = 2.9555e-02 1.S109 HB3 = 3.731(D), Expected = 3.85, Std = 0.2700, ChiSquare = 6.5940e-01 1.S109 N = 121.903(D), Expected = 116.28, Std = 3.5200, ChiSquare = 1.1017e-01 1.A110 CA = 49.635(D), Expected = 53.14, Std = 1.9800, ChiSquare = 7.6694e-02 1.A110 CB = 21.718(D), Expected = 19.01, Std = 1.8300, ChiSquare = 1.3893e-01 1.A110 H = 8.646(D), Expected = 8.20, Std = 0.6000, ChiSquare = 4.5728e-01 1.A110 HA = 5.406(D), Expected = 4.26, Std = 0.4400, ChiSquare = 9.1996e-03 1.A110 HB1 = 0.976(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.5030e-01 1.A110 HB2 = 0.976(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.5030e-01 1.A110 HB3 = 0.976(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.5030e-01 1.A110 N = 124.803(D), Expected = 123.23, Std = 3.5400, ChiSquare = 6.5679e-01 1.F111 CA = 56.064(D), Expected = 58.08, Std = 2.5700, ChiSquare = 4.3278e-01 1.F111 CB = 42.618(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.0860e-01 1.F111 H = 9.329(D), Expected = 8.36, Std = 0.7200, ChiSquare = 1.7836e-01 1.F111 HA = 4.952(D), Expected = 4.63, Std = 0.5700, ChiSquare = 5.7213e-01 1.F111 HB2 = 2.806(D), Expected = 3.00, Std = 0.3700, ChiSquare = 6.0005e-01 1.F111 HB3 = 2.861(D), Expected = 2.93, Std = 0.4000, ChiSquare = 8.6304e-01 1.F111 N = 119.496(D), Expected = 120.45, Std = 4.1800, ChiSquare = 8.1947e-01 1.G112 CA = 45.208(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.1561e-01 1.G112 H = 8.954(D), Expected = 8.33, Std = 0.6500, ChiSquare = 3.3706e-01 1.G112 HA2 = 2.893(D), Expected = 3.97, Std = 0.3700, ChiSquare = 3.6049e-03 1.G112 HA3 = 2.893(D), Expected = 3.90, Std = 0.3700, ChiSquare = 6.4962e-03 1.G112 N = 109.702(D), Expected = 109.67, Std = 3.8700, ChiSquare = 9.9340e-01 1.L113 CA = 52.470(D), Expected = 55.62, Std = 2.1300, ChiSquare = 1.3917e-01 1.L113 CB = 42.493(D), Expected = 42.31, Std = 1.8800, ChiSquare = 9.2246e-01 1.L113 CG = 28.922(D), Expected = 26.78, Std = 1.1000, ChiSquare = 5.1502e-02 1.L113 CD1 = 26.614(D), Expected = 24.72, Std = 1.5900, ChiSquare = 2.3358e-01 1.L113 CD2 = 24.900(D), Expected = 24.05, Std = 1.7000, ChiSquare = 6.1707e-01 1.L113 H = 8.927(D), Expected = 8.23, Std = 0.6500, ChiSquare = 2.8358e-01 1.L113 HA = 4.768(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.4049e-01 1.L113 HB2 = 1.518(D), Expected = 1.61, Std = 0.3400, ChiSquare = 7.8671e-01 1.L113 HB3 = 1.706(D), Expected = 1.52, Std = 0.3600, ChiSquare = 6.0539e-01 1.L113 HG = 1.842(D), Expected = 1.51, Std = 0.3300, ChiSquare = 3.1439e-01 1.L113 HD11 = 0.988(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.9533e-01 1.L113 HD12 = 0.988(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.9533e-01 1.L113 HD13 = 0.988(D), Expected = 0.75, Std = 0.2800, ChiSquare = 3.9533e-01 1.L113 HD21 = 1.090(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.1447e-01 1.L113 HD22 = 1.090(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.1447e-01 1.L113 HD23 = 1.090(D), Expected = 0.73, Std = 0.2900, ChiSquare = 2.1447e-01 1.L113 N = 126.100(D), Expected = 121.86, Std = 3.9000, ChiSquare = 2.7696e-01 1.S114 CA = 58.523(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.2418e-01 1.S114 CB = 63.185(D), Expected = 63.80, Std = 1.4800, ChiSquare = 6.7775e-01 1.S114 H = 9.275(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.1711e-02 1.S114 HA = 3.618(D), Expected = 4.48, Std = 0.4000, ChiSquare = 3.1162e-02 1.S114 HB2 = 3.503(D), Expected = 3.88, Std = 0.2500, ChiSquare = 1.3155e-01 1.S114 HB3 = 3.606(D), Expected = 3.85, Std = 0.2700, ChiSquare = 3.6615e-01 1.S114 N = 119.998(D), Expected = 116.28, Std = 3.5200, ChiSquare = 2.9085e-01 1.I115 CA = 62.011(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.8106e-01 1.I115 CB = 38.580(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.8025e-01 1.I115 CG1 = 26.909(D), Expected = 27.71, Std = 1.6800, ChiSquare = 6.3351e-01 1.I115 CG2 = 18.215(D), Expected = 17.53, Std = 1.3600, ChiSquare = 6.1449e-01 1.I115 CD1 = 12.595(D), Expected = 13.43, Std = 1.6700, ChiSquare = 6.1707e-01 1.I115 H = 7.680(D), Expected = 8.28, Std = 0.6800, ChiSquare = 3.7759e-01 1.I115 HA = 4.072(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.4707e-01 1.I115 HB = 1.748(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.1214e-01 1.I115 HG12 = 1.071(D), Expected = 1.28, Std = 0.4000, ChiSquare = 6.0132e-01 1.I115 HG13 = 1.329(D), Expected = 1.19, Std = 0.4100, ChiSquare = 7.3459e-01 1.I115 HG21 = 0.786(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.5275e-01 1.I115 HG22 = 0.786(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.5275e-01 1.I115 HG23 = 0.786(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.5275e-01 1.I115 HD11 = 0.768(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.6155e-01 1.I115 HD12 = 0.768(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.6155e-01 1.I115 HD13 = 0.768(D), Expected = 0.68, Std = 0.2900, ChiSquare = 7.6155e-01 1.I115 N = 122.165(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.6916e-01 1.G116 CA = 45.001(D), Expected = 45.35, Std = 1.3400, ChiSquare = 7.9452e-01 1.G116 H = 8.148(D), Expected = 8.33, Std = 0.6500, ChiSquare = 7.7948e-01 1.G116 HA2 = 3.863(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.7244e-01 1.G116 HA3 = 3.863(D), Expected = 3.90, Std = 0.3700, ChiSquare = 9.2034e-01 1.G116 N = 110.200(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.9107e-01 1.G117 CA = 45.146(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.7900e-01 1.G117 H = 8.179(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.1630e-01 1.G117 HA2 = 3.849(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.4365e-01 1.G117 HA3 = 3.849(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.9037e-01 1.G117 N = 108.682(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9849e-01 1.G118 CA = 45.220(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2271e-01 1.G118 H = 8.318(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8527e-01 1.G118 HA2 = 3.830(D), Expected = 3.97, Std = 0.3700, ChiSquare = 7.0515e-01 1.G118 HA3 = 3.830(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.4994e-01 1.G118 N = 108.703(D), Expected = 109.67, Std = 3.8700, ChiSquare = 8.0269e-01 1.S119 CA = 58.512(D), Expected = 58.72, Std = 2.0700, ChiSquare = 9.1996e-01 1.S119 CB = 63.727(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.6066e-01 1.S119 H = 8.290(D), Expected = 8.28, Std = 0.5900, ChiSquare = 9.8648e-01 1.S119 HA = 4.698(D), Expected = 4.48, Std = 0.4000, ChiSquare = 5.8575e-01 1.S119 HB2 = 3.750(D), Expected = 3.88, Std = 0.2500, ChiSquare = 6.0306e-01 1.S119 HB3 = 3.793(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.3280e-01 1.S119 N = 115.703(D), Expected = 116.28, Std = 3.5200, ChiSquare = 8.6979e-01 1.G120 CA = 45.477(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2449e-01 1.G120 H = 8.430(D), Expected = 8.33, Std = 0.6500, ChiSquare = 8.7773e-01 1.G120 N = 110.798(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.7069e-01 1.Q121 CA = 56.000(D), Expected = 56.57, Std = 2.1400, ChiSquare = 7.8997e-01 1.Q121 CB = 29.113(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.6625e-01 1.Q121 CG = 33.839(D), Expected = 33.76, Std = 1.1100, ChiSquare = 9.4326e-01 1.Q121 H = 8.039(D), Expected = 8.22, Std = 0.5900, ChiSquare = 7.5901e-01 1.Q121 HA = 4.259(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.8006e-01 1.Q121 HB2 = 1.849(D), Expected = 2.05, Std = 0.2500, ChiSquare = 4.2140e-01 1.Q121 HB3 = 2.034(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.6012e-01 1.Q121 HG2 = 2.210(D), Expected = 2.32, Std = 0.2700, ChiSquare = 6.8371e-01 1.Q121 HG3 = 2.226(D), Expected = 2.29, Std = 0.2900, ChiSquare = 8.2533e-01 1.Q121 N = 119.803(D), Expected = 119.89, Std = 3.6000, ChiSquare = 9.8072e-01 1.S122 CA = 58.271(D), Expected = 58.72, Std = 2.0700, ChiSquare = 8.2828e-01 1.S122 CB = 63.843(D), Expected = 63.80, Std = 1.4800, ChiSquare = 9.7682e-01 1.S122 H = 7.992(D), Expected = 8.28, Std = 0.5900, ChiSquare = 6.2545e-01 1.S122 HA = 4.402(D), Expected = 4.48, Std = 0.4000, ChiSquare = 8.4539e-01 1.S122 HB2 = 3.742(D), Expected = 3.88, Std = 0.2500, ChiSquare = 5.8095e-01 1.S122 HB3 = 3.789(D), Expected = 3.85, Std = 0.2700, ChiSquare = 8.2126e-01 1.G123 CA = 44.376(D), Expected = 45.35, Std = 1.3400, ChiSquare = 4.6731e-01 1.G123 H = 7.948(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.5674e-01 1.G123 HA2 = 3.973(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.9353e-01 1.G123 HA3 = 4.031(D), Expected = 3.90, Std = 0.3700, ChiSquare = 7.2330e-01 1.G123 N = 110.673(D), Expected = 109.67, Std = 3.8700, ChiSquare = 7.9550e-01 1.P124 CA = 62.777(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.1600e-01 1.P124 CB = 31.960(D), Expected = 31.85, Std = 1.1800, ChiSquare = 9.2573e-01 1.P124 CG = 27.162(D), Expected = 27.17, Std = 1.0900, ChiSquare = 9.9414e-01 1.P124 CD = 49.771(D), Expected = 50.32, Std = 0.9900, ChiSquare = 5.7921e-01 1.P124 HA = 4.344(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.6525e-01 1.P124 HB2 = 1.756(D), Expected = 2.08, Std = 0.3500, ChiSquare = 3.5459e-01 1.P124 HB3 = 2.161(D), Expected = 2.00, Std = 0.3600, ChiSquare = 6.5471e-01 1.P124 HG2 = 1.907(D), Expected = 1.93, Std = 0.3100, ChiSquare = 9.4086e-01 1.P124 HG3 = 1.907(D), Expected = 1.90, Std = 0.3300, ChiSquare = 9.8308e-01 1.P124 HD2 = 3.505(D), Expected = 3.65, Std = 0.3500, ChiSquare = 6.7866e-01 1.P124 HD3 = 3.505(D), Expected = 3.61, Std = 0.3900, ChiSquare = 7.8775e-01 1.I125 CA = 61.233(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.8813e-01 1.I125 CB = 38.590(D), Expected = 38.63, Std = 2.0200, ChiSquare = 9.8420e-01 1.I125 CG1 = 27.406(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.5641e-01 1.I125 CG2 = 17.358(D), Expected = 17.53, Std = 1.3600, ChiSquare = 8.9936e-01 1.I125 CD1 = 13.496(D), Expected = 13.43, Std = 1.6700, ChiSquare = 9.6848e-01 1.I125 H = 8.178(D), Expected = 8.28, Std = 0.6800, ChiSquare = 8.8076e-01 1.I125 HA = 3.960(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.9442e-01 1.I125 HB = 1.667(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.9679e-01 1.I125 HG12 = 1.029(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.3033e-01 1.I125 HG13 = 1.388(D), Expected = 1.19, Std = 0.4100, ChiSquare = 6.2915e-01 1.I125 HG21 = 0.723(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6181e-01 1.I125 HG22 = 0.723(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6181e-01 1.I125 HG23 = 0.723(D), Expected = 0.77, Std = 0.2700, ChiSquare = 8.6181e-01 1.I125 HD11 = 0.723(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.8213e-01 1.I125 HD12 = 0.723(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.8213e-01 1.I125 HD13 = 0.723(D), Expected = 0.68, Std = 0.2900, ChiSquare = 8.8213e-01 1.I125 N = 122.096(D), Expected = 121.46, Std = 4.2800, ChiSquare = 8.8187e-01 1.K126 CA = 55.220(D), Expected = 56.95, Std = 2.2000, ChiSquare = 4.3165e-01 1.K126 CB = 32.660(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.4178e-01 1.K126 CG = 24.511(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.3732e-01 1.K126 CD = 29.087(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.0639e-01 1.K126 CE = 42.157(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.4472e-01 1.K126 H = 8.351(D), Expected = 8.19, Std = 0.6000, ChiSquare = 7.8844e-01 1.K126 HA = 4.352(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.5216e-01 1.K126 HB2 = 1.600(D), Expected = 1.78, Std = 0.2500, ChiSquare = 4.7153e-01 1.K126 HB3 = 1.733(D), Expected = 1.74, Std = 0.2700, ChiSquare = 9.7932e-01 1.K126 HG2 = 1.252(D), Expected = 1.37, Std = 0.2600, ChiSquare = 6.4994e-01 1.K126 HG3 = 1.328(D), Expected = 1.35, Std = 0.2800, ChiSquare = 9.3737e-01 1.K126 HD2 = 1.609(D), Expected = 1.61, Std = 0.2200, ChiSquare = 9.9637e-01 1.K126 HD3 = 1.609(D), Expected = 1.60, Std = 0.2200, ChiSquare = 9.6737e-01 1.K126 HE2 = 2.921(D), Expected = 2.92, Std = 0.1900, ChiSquare = 9.9580e-01 1.K126 HE3 = 2.921(D), Expected = 2.91, Std = 0.2000, ChiSquare = 9.5614e-01 1.K126 N = 128.101(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.1444e-02 1.L127 CA = 53.071(D), Expected = 55.62, Std = 2.1300, ChiSquare = 2.3142e-01 1.L127 CB = 43.054(D), Expected = 42.31, Std = 1.8800, ChiSquare = 6.9229e-01 1.L127 CG = 26.903(D), Expected = 26.78, Std = 1.1000, ChiSquare = 9.1097e-01 1.L127 CD1 = 24.088(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.9101e-01 1.L127 CD2 = 26.396(D), Expected = 24.05, Std = 1.7000, ChiSquare = 1.6759e-01 1.L127 H = 8.003(D), Expected = 8.23, Std = 0.6500, ChiSquare = 7.2692e-01 1.L127 HA = 4.531(D), Expected = 4.32, Std = 0.4700, ChiSquare = 6.5348e-01 1.L127 HB2 = 0.245(S), Expected = 1.61, Std = 0.3400, ChiSquare = 5.9520e-05 1.L127 HB3 = 1.264(D), Expected = 1.52, Std = 0.3600, ChiSquare = 4.7702e-01 1.L127 HG = 1.345(D), Expected = 1.51, Std = 0.3300, ChiSquare = 6.1707e-01 1.L127 HD11 = 0.427(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.4868e-01 1.L127 HD12 = 0.427(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.4868e-01 1.L127 HD13 = 0.427(D), Expected = 0.75, Std = 0.2800, ChiSquare = 2.4868e-01 1.L127 HD21 = 0.712(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.5051e-01 1.L127 HD22 = 0.712(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.5051e-01 1.L127 HD23 = 0.712(D), Expected = 0.73, Std = 0.2900, ChiSquare = 9.5051e-01 1.L127 N = 124.204(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.4782e-01 1.G128 CA = 45.075(D), Expected = 45.35, Std = 1.3400, ChiSquare = 8.3740e-01 1.G128 H = 8.713(D), Expected = 8.33, Std = 0.6500, ChiSquare = 5.5571e-01 1.G128 HA2 = 3.962(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.8275e-01 1.G128 HA3 = 4.348(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.2597e-01 1.G128 N = 107.602(D), Expected = 109.67, Std = 3.8700, ChiSquare = 5.9309e-01 1.M129 CA = 54.607(D), Expected = 56.11, Std = 2.2300, ChiSquare = 5.0032e-01 1.M129 CB = 33.189(D), Expected = 32.99, Std = 2.2400, ChiSquare = 9.2921e-01 1.M129 CG = 33.183(D), Expected = 32.01, Std = 1.2400, ChiSquare = 3.4417e-01 1.M129 H = 8.710(D), Expected = 8.26, Std = 0.6000, ChiSquare = 4.5325e-01 1.M129 HA = 5.272(D), Expected = 4.41, Std = 0.4800, ChiSquare = 7.2521e-02 1.M129 HB2 = 2.096(D), Expected = 2.03, Std = 0.3400, ChiSquare = 8.4608e-01 1.M129 HB3 = 2.096(D), Expected = 1.99, Std = 0.3400, ChiSquare = 7.5522e-01 1.M129 HG2 = 2.828(D), Expected = 2.42, Std = 0.3500, ChiSquare = 2.4373e-01 1.M129 HG3 = 2.828(D), Expected = 2.39, Std = 0.3800, ChiSquare = 2.4906e-01 1.M129 N = 118.699(D), Expected = 120.09, Std = 3.5700, ChiSquare = 6.9681e-01 1.A130 CA = 50.938(D), Expected = 53.14, Std = 1.9800, ChiSquare = 2.6609e-01 1.A130 CB = 20.278(D), Expected = 19.01, Std = 1.8300, ChiSquare = 4.8837e-01 1.A130 H = 8.395(D), Expected = 8.20, Std = 0.6000, ChiSquare = 7.4518e-01 1.A130 HA = 4.539(D), Expected = 4.26, Std = 0.4400, ChiSquare = 5.2602e-01 1.A130 HB1 = 0.986(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.6151e-01 1.A130 HB2 = 0.986(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.6151e-01 1.A130 HB3 = 0.986(D), Expected = 1.35, Std = 0.2600, ChiSquare = 1.6151e-01 1.A130 N = 127.483(D), Expected = 123.23, Std = 3.5400, ChiSquare = 2.2959e-01 1.K131 CA = 56.390(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.9907e-01 1.K131 CB = 32.611(D), Expected = 32.79, Std = 1.7800, ChiSquare = 9.1990e-01 1.K131 CG = 24.669(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.4494e-01 1.K131 CD = 29.431(D), Expected = 28.96, Std = 1.0800, ChiSquare = 6.6276e-01 1.K131 CE = 42.320(D), Expected = 41.89, Std = 0.8200, ChiSquare = 6.0001e-01 1.K131 H = 8.242(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.3094e-01 1.K131 HA = 4.258(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.7824e-01 1.K131 HB2 = 1.776(D), Expected = 1.78, Std = 0.2500, ChiSquare = 9.8723e-01 1.K131 HB3 = 1.776(D), Expected = 1.74, Std = 0.2700, ChiSquare = 8.9393e-01 1.K131 HG2 = 1.430(D), Expected = 1.37, Std = 0.2600, ChiSquare = 8.1749e-01 1.K131 HG3 = 1.471(D), Expected = 1.35, Std = 0.2800, ChiSquare = 6.6564e-01 1.K131 HD2 = 1.684(D), Expected = 1.61, Std = 0.2200, ChiSquare = 7.3660e-01 1.K131 HD3 = 1.684(D), Expected = 1.60, Std = 0.2200, ChiSquare = 7.0260e-01 1.K131 HE2 = 3.003(D), Expected = 2.92, Std = 0.1900, ChiSquare = 6.6223e-01 1.K131 HE3 = 3.003(D), Expected = 2.91, Std = 0.2000, ChiSquare = 6.4193e-01 1.K131 N = 119.543(D), Expected = 121.05, Std = 3.7700, ChiSquare = 6.8935e-01 1.I132 CA = 60.985(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.1560e-01 1.I132 CB = 37.980(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.4762e-01 1.I132 CG1 = 27.996(D), Expected = 27.71, Std = 1.6800, ChiSquare = 8.6482e-01 1.I132 CG2 = 18.017(D), Expected = 17.53, Std = 1.3600, ChiSquare = 7.2028e-01 1.I132 CD1 = 13.419(D), Expected = 13.43, Std = 1.6700, ChiSquare = 9.9474e-01 1.I132 H = 8.710(D), Expected = 8.28, Std = 0.6800, ChiSquare = 5.2716e-01 1.I132 HA = 4.398(D), Expected = 4.18, Std = 0.5600, ChiSquare = 6.9706e-01 1.I132 HB = 1.895(D), Expected = 1.78, Std = 0.2900, ChiSquare = 6.9170e-01 1.I132 HG12 = 1.140(D), Expected = 1.28, Std = 0.4000, ChiSquare = 7.2634e-01 1.I132 HG13 = 1.608(D), Expected = 1.19, Std = 0.4100, ChiSquare = 3.0796e-01 1.I132 HG21 = 0.789(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4390e-01 1.I132 HG22 = 0.789(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4390e-01 1.I132 HG23 = 0.789(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.4390e-01 1.I132 HD11 = 0.833(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9779e-01 1.I132 HD12 = 0.833(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9779e-01 1.I132 HD13 = 0.833(D), Expected = 0.68, Std = 0.2900, ChiSquare = 5.9779e-01 1.I132 N = 125.690(D), Expected = 121.46, Std = 4.2800, ChiSquare = 3.2300e-01 1.T133 CA = 62.713(D), Expected = 62.22, Std = 2.5900, ChiSquare = 8.4904e-01 1.T133 CB = 69.734(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.9804e-01 1.T133 CG2 = 20.751(D), Expected = 21.55, Std = 1.1100, ChiSquare = 4.7164e-01 1.T133 H = 8.120(D), Expected = 8.24, Std = 0.6200, ChiSquare = 8.4653e-01 1.T133 HA = 4.431(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.5182e-01 1.T133 HB = 4.002(D), Expected = 4.17, Std = 0.3300, ChiSquare = 6.1069e-01 1.T133 HG21 = 1.053(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.0524e-01 1.T133 HG22 = 1.053(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.0524e-01 1.T133 HG23 = 1.053(D), Expected = 1.14, Std = 0.2300, ChiSquare = 7.0524e-01 1.T133 N = 121.801(D), Expected = 115.42, Std = 4.7500, ChiSquare = 1.7915e-01 1.Q134 CA = 54.773(D), Expected = 56.57, Std = 2.1400, ChiSquare = 4.0107e-01 1.Q134 CB = 33.049(D), Expected = 29.19, Std = 1.8200, ChiSquare = 3.3978e-02 1.Q134 CG = 34.929(D), Expected = 33.76, Std = 1.1100, ChiSquare = 2.9227e-01 1.Q134 H = 8.992(D), Expected = 8.22, Std = 0.5900, ChiSquare = 1.9071e-01 1.Q134 HA = 5.184(D), Expected = 4.27, Std = 0.4400, ChiSquare = 3.7776e-02 1.Q134 HB2 = 1.915(D), Expected = 2.05, Std = 0.2500, ChiSquare = 5.8920e-01 1.Q134 HB3 = 2.017(D), Expected = 2.02, Std = 0.2800, ChiSquare = 9.9145e-01 1.Q134 HG2 = 2.108(D), Expected = 2.32, Std = 0.2700, ChiSquare = 4.3235e-01 1.Q134 HG3 = 2.213(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.9061e-01 1.Q134 N = 127.560(D), Expected = 119.89, Std = 3.6000, ChiSquare = 3.3126e-02 1.V135 CA = 62.589(D), Expected = 62.49, Std = 2.8600, ChiSquare = 9.7239e-01 1.V135 CB = 33.443(D), Expected = 32.73, Std = 1.7900, ChiSquare = 6.9039e-01 1.V135 CG1 = 22.002(D), Expected = 21.49, Std = 1.3600, ChiSquare = 7.0657e-01 1.V135 CG2 = 22.000(D), Expected = 21.26, Std = 1.5600, ChiSquare = 6.3524e-01 1.V135 H = 8.198(D), Expected = 8.29, Std = 0.6700, ChiSquare = 8.9078e-01 1.V135 HA = 3.953(D), Expected = 4.19, Std = 0.5800, ChiSquare = 6.8282e-01 1.V135 HB = 1.971(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.7756e-01 1.V135 HG11 = 0.524(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.3923e-01 1.V135 HG12 = 0.524(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.3923e-01 1.V135 HG13 = 0.524(D), Expected = 0.83, Std = 0.2600, ChiSquare = 2.3923e-01 1.V135 HG21 = 0.630(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.4376e-01 1.V135 HG22 = 0.630(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.4376e-01 1.V135 HG23 = 0.630(D), Expected = 0.80, Std = 0.2800, ChiSquare = 5.4376e-01 1.V135 N = 123.297(D), Expected = 121.14, Std = 4.5400, ChiSquare = 6.3471e-01 1.D136 CA = 53.298(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.9289e-01 1.D136 CB = 45.261(D), Expected = 40.88, Std = 1.6200, ChiSquare = 6.8444e-03 1.D136 H = 8.279(D), Expected = 8.31, Std = 0.5800, ChiSquare = 9.5737e-01 1.D136 HA = 5.167(D), Expected = 4.59, Std = 0.3200, ChiSquare = 7.1369e-02 1.D136 HB2 = 2.482(D), Expected = 2.72, Std = 0.2600, ChiSquare = 3.5999e-01 1.D136 HB3 = 2.583(D), Expected = 2.66, Std = 0.2800, ChiSquare = 7.8332e-01 1.D136 N = 126.000(D), Expected = 120.65, Std = 3.8600, ChiSquare = 1.6574e-01 1.F137 CA = 54.589(D), Expected = 58.08, Std = 2.5700, ChiSquare = 1.7435e-01 1.F137 CB = 40.000(D), Expected = 39.99, Std = 2.0900, ChiSquare = 9.9618e-01 1.F137 H = 8.877(D), Expected = 8.36, Std = 0.7200, ChiSquare = 4.7272e-01 1.F137 HA = 4.857(D), Expected = 4.63, Std = 0.5700, ChiSquare = 6.9045e-01 1.F137 HB2 = 2.465(D), Expected = 3.00, Std = 0.3700, ChiSquare = 1.4819e-01 1.F137 HB3 = 2.625(D), Expected = 2.93, Std = 0.4000, ChiSquare = 4.4576e-01 1.F137 N = 125.108(D), Expected = 120.45, Std = 4.1800, ChiSquare = 2.6513e-01 1.R140 CA = 55.768(D), Expected = 56.77, Std = 2.3100, ChiSquare = 6.6446e-01 1.R140 CB = 32.003(D), Expected = 30.70, Std = 1.8300, ChiSquare = 4.7645e-01 1.R140 CG = 26.610(D), Expected = 27.21, Std = 1.2000, ChiSquare = 6.1707e-01 1.R140 CD = 43.669(D), Expected = 43.16, Std = 0.8800, ChiSquare = 5.6299e-01 1.R140 H = 8.334(D), Expected = 8.24, Std = 0.6100, ChiSquare = 8.7753e-01 1.R140 HA = 4.282(D), Expected = 4.30, Std = 0.4600, ChiSquare = 9.6879e-01 1.R140 HB2 = 1.643(D), Expected = 1.79, Std = 0.2700, ChiSquare = 5.8614e-01 1.R140 HB3 = 1.740(D), Expected = 1.76, Std = 0.2800, ChiSquare = 9.4306e-01 1.R140 HG2 = 1.517(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.4438e-01 1.R140 HG3 = 1.567(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.2582e-01 1.R140 HD2 = 3.090(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.0052e-01 1.R140 HD3 = 3.090(D), Expected = 3.10, Std = 0.2600, ChiSquare = 9.6932e-01 1.E141 CA = 56.256(D), Expected = 57.32, Std = 2.0900, ChiSquare = 6.1069e-01 1.E141 CB = 30.248(D), Expected = 30.01, Std = 1.7200, ChiSquare = 8.8995e-01 1.E141 CG = 33.873(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.0131e-02 1.E141 H = 8.347(D), Expected = 8.33, Std = 0.5900, ChiSquare = 9.7701e-01 1.E141 HA = 4.155(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.1677e-01 1.E141 HB2 = 1.832(D), Expected = 2.02, Std = 0.2100, ChiSquare = 3.7066e-01 1.E141 HB3 = 1.935(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.1100e-01 1.E141 HG2 = 2.238(D), Expected = 2.27, Std = 0.2100, ChiSquare = 8.7889e-01 1.E141 HG3 = 2.238(D), Expected = 2.25, Std = 0.2200, ChiSquare = 9.5650e-01 1.E141 N = 121.715(D), Expected = 120.67, Std = 3.4800, ChiSquare = 7.6396e-01 1.I142 CA = 61.094(D), Expected = 61.61, Std = 2.6800, ChiSquare = 8.4732e-01 1.I142 CB = 38.162(D), Expected = 38.63, Std = 2.0200, ChiSquare = 8.1678e-01 1.I142 CG1 = 27.166(D), Expected = 27.71, Std = 1.6800, ChiSquare = 7.4608e-01 1.I142 CG2 = 17.471(D), Expected = 17.53, Std = 1.3600, ChiSquare = 9.6540e-01 1.I142 CD1 = 12.383(D), Expected = 13.43, Std = 1.6700, ChiSquare = 5.3069e-01 1.I142 H = 8.222(D), Expected = 8.28, Std = 0.6800, ChiSquare = 9.3203e-01 1.I142 HA = 4.076(D), Expected = 4.18, Std = 0.5600, ChiSquare = 8.5267e-01 1.I142 HB = 1.781(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.9725e-01 1.I142 HG12 = 1.069(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.9785e-01 1.I142 HG13 = 1.335(D), Expected = 1.19, Std = 0.4100, ChiSquare = 7.2359e-01 1.I142 HG21 = 0.782(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.6455e-01 1.I142 HG22 = 0.782(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.6455e-01 1.I142 HG23 = 0.782(D), Expected = 0.77, Std = 0.2700, ChiSquare = 9.6455e-01 1.I142 HD11 = 0.698(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.5051e-01 1.I142 HD12 = 0.698(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.5051e-01 1.I142 HD13 = 0.698(D), Expected = 0.68, Std = 0.2900, ChiSquare = 9.5051e-01 1.I142 N = 123.235(D), Expected = 121.46, Std = 4.2800, ChiSquare = 6.7835e-01 1.V143 CA = 63.391(D), Expected = 62.49, Std = 2.8600, ChiSquare = 7.5273e-01 1.V143 CB = 33.328(D), Expected = 32.73, Std = 1.7900, ChiSquare = 7.3832e-01 1.V143 CG1 = 20.160(D), Expected = 21.49, Std = 1.3600, ChiSquare = 3.2810e-01 1.V143 CG2 = 21.631(D), Expected = 21.26, Std = 1.5600, ChiSquare = 8.1202e-01 1.V143 H = 7.591(D), Expected = 8.29, Std = 0.6700, ChiSquare = 2.9682e-01 1.V143 HA = 3.968(D), Expected = 4.19, Std = 0.5800, ChiSquare = 7.0190e-01 1.V143 HB = 1.977(D), Expected = 1.98, Std = 0.3200, ChiSquare = 9.9252e-01 1.V143 HG11 = 0.798(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0205e-01 1.V143 HG12 = 0.798(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0205e-01 1.V143 HG13 = 0.798(D), Expected = 0.83, Std = 0.2600, ChiSquare = 9.0205e-01 1.V143 HG21 = 0.798(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9430e-01 1.V143 HG22 = 0.798(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9430e-01 1.V143 HG23 = 0.798(D), Expected = 0.80, Std = 0.2800, ChiSquare = 9.9430e-01 1.V143 N = 128.733(D), Expected = 121.14, Std = 4.5400, ChiSquare = 9.4432e-02