Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> R 0.41 L 0.28 D 0.06 G 0.05 F 0.05 K 0.04 C 0.03 Y 0.03 C Shift Assignments>> C :: 170.304 CA :: 43.294(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.989(D) HA3 :: 3.989(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.T2 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.190 CA :: 62.272(D) CB :: 69.826(D) CG2 :: 21.695(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 :: 8.617 HA :: 4.412(D) HB :: 4.207(D) HG21 :: 1.237(D) HG22 :: 1.237(D) HG23 :: 1.237(D) Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.479 Ave N Shift Values>> N :: 115.42(4.75) 1.Y3 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 174.368 CA :: 58.150(D) CB :: 39.360(D) CD1 :: 133.182(D) CD2 :: 133.182(D) CE1 :: 118.284(D) CE2 :: 118.284(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 :: 8.466 HA :: 4.784(D) HB2 :: 3.107(D) HB3 :: 3.166(D) HD1 :: 7.177(D) HD2 :: 7.177(D) HE1 :: 6.786(D) HE2 :: 6.786(D) Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.873 Ave N Shift Values>> N :: 120.52(4.2) 1.C4 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.28 D 0.28 K 0.12 R 0.09 N 0.05 F 0.05 C 0.04 Y 0.03 HN Overlap>> 1.R30 1.E9 1.R30 1.E9 C Shift Assignments>> C :: 172.238 CA :: 53.469(D) CB :: 42.215(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.736 HA :: 4.847(D) HB2 :: 3.040(D) HB3 :: 3.040(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.068 Ave N Shift Values>> N :: 120.17(4.64) 1.I5 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> I 0.55 C 0.44 C Shift Assignments>> C :: 175.022 CA :: 63.042(D) CB :: 39.318(D) CG1 :: 27.909(D) CG2 :: 20.287(D) CD1 :: 15.191(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 :: 9.043(D) HA :: 3.982(D) HB :: 1.808(D) HG12 :: 1.041(D) HG13 :: 1.659(D) HG21 :: 1.345(D) HG22 :: 1.345(D) HG23 :: 1.345(D) HD11 :: 0.894(D) HD12 :: 0.894(D) HD13 :: 0.894(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 :: 121.337(D) Ave N Shift Values>> N :: 121.46(4.28) 1.E6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.49 C 0.47 Q 0.01 C Shift Assignments>> C :: 174.856 CA :: 56.892(D) CB :: 31.179(D) CG :: 36.713(D) CD :: 181.918 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 :: 8.728(D) HA :: 4.194(D) HB2 :: 2.325(D) HB3 :: 2.130(D) HG2 :: 2.613(D) HG3 :: 2.531(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 :: 128.426(D) Ave N Shift Values>> N :: 120.67(3.48) 1.L7 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> L 0.6 C 0.32 R 0.05 G 0.02 C Shift Assignments>> C :: 178.447 CA :: 56.537(D) CB :: 42.565(D) CG :: 26.530(D) CD1 :: 25.338(D) CD2 :: 24.527(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 :: 8.200(D) HA :: 3.848(D) HB2 :: 1.539(D) HB3 :: 1.624(D) HG :: 1.564(D) HD11 :: 0.635(D) HD12 :: 0.635(D) HD13 :: 0.635(D) HD21 :: 0.572(D) HD22 :: 0.572(D) HD23 :: 0.572(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 :: 119.549(D) Ave N Shift Values>> N :: 121.86(3.9) 1.G8 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>> C :: 174.195 CA :: 45.223(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.403(D) HA2 :: 3.807(D) HA3 :: 4.421(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.714(D) Ave N Shift Values>> N :: 109.67(3.87) 1.E9 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> E 0.5 C 0.49 HN Overlap>> 1.R30 1.R30 1.C4 1.C4 C Shift Assignments>> C :: 175.679 CA :: 54.780(D) CB :: 30.852(D) CG :: 36.602(D) CD :: 184.243 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 :: 7.676(D) HA :: 4.724(D) HB2 :: 2.309(D) HB3 :: 2.356(D) HG2 :: 2.210(D) HG3 :: 2.554(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 :: 119.069(D) Ave N Shift Values>> N :: 120.67(3.48) 1.R10 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> R 0.45 C 0.36 K 0.11 G 0.05 C Shift Assignments>> C :: 175.214 CA :: 56.156(D) CB :: 31.181(D) CG :: 27.618(D) CD :: 43.273(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 :: 8.649(D) HA :: 4.493(D) HB2 :: 1.832(D) HB3 :: 1.832(D) HG2 :: 1.517(D) HG3 :: 1.844(D) HD2 :: 3.136(D) HD3 :: 3.171(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.570(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.C11 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.83 C 0.13 L 0.02 C Shift Assignments>> C :: 171.071 CA :: 51.335(D) CB :: 48.475(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.099(D) HA :: 5.110(D) HB2 :: 3.034(D) HB3 :: 3.552(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 :: 116.099(D) Ave N Shift Values>> N :: 120.17(4.64) 1.P12 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> C 0.5 P 0.49 C Shift Assignments>> C :: 174.176 CA :: 61.343(D) CB :: 31.648(D) CG :: 26.750(D) CD :: 49.563(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 :: 4.354(D) HB2 :: 1.715(D) HB3 :: 1.715(D) HG2 :: 1.610(D) HG3 :: 1.610(D) HD2 :: 3.494(D) HD3 :: 3.494(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.N13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.84 D 0.08 C 0.07 C Shift Assignments>> C :: 176.539 CA :: 50.734(D) CB :: 38.667(D) CG :: 176.542 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 :: 8.003 HA :: 2.759(S) HB2 :: 2.584(D) HB3 :: 2.747(D) HD21 :: 7.076 HD22 :: 8.073 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.280 ND2 :: 113.718 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P14 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 178.079 CA :: 63.872(D) CB :: 31.110(D) CG :: 26.198(D) CD :: 51.676(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 :: 4.502(D) HB2 :: 1.881(D) HB3 :: 2.194(D) HG2 :: 1.817(D) HG3 :: 1.777(D) HD2 :: 2.810(D) HD3 :: 2.959(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.R15 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.44 R 0.42 G 0.07 K 0.04 L 0.01 C Shift Assignments>> C :: 177.765 CA :: 59.012(D) CB :: 29.608(D) CG :: 27.017(D) CD :: 43.420(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 :: 8.262 HA :: 4.178(D) HB2 :: 1.903(D) HB3 :: 1.737(D) HG2 :: 1.686(D) HG3 :: 1.574(D) HD2 :: 3.244(D) HD3 :: 3.282(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 :: 123.999 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.E16 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> E 0.53 C 0.46 C Shift Assignments>> C :: 175.745 CA :: 55.895(D) CB :: 29.855(D) CG :: 37.078(D) CD :: 183.688 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 :: 7.861 HA :: 4.548(D) HB2 :: 2.102(D) HB3 :: 2.535(D) HG2 :: 2.324(D) HG3 :: 2.324(D) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.988 Ave N Shift Values>> N :: 120.67(3.48) 1.G17 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> L 0.29 G 0.28 R 0.25 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 171.756 CA :: 44.066(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.428 HA2 :: 4.147(D) HA3 :: 3.442(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.787 Ave N Shift Values>> N :: 109.67(3.87) 1.D18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> D 0.83 C 0.09 N 0.06 G 0.01 C Shift Assignments>> C :: 176.862 CA :: 53.090(D) CB :: 41.964(D) CG :: 179.431 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 :: 8.335 HA :: 4.901(D) HB2 :: 2.405(D) HB3 :: 3.086(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 :: 123.198 Ave N Shift Values>> N :: 120.65(3.86) 1.W19 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> W 0.51 C 0.48 C Shift Assignments>> C :: 177.202 CA :: 58.172(D) CB :: 30.230(D) CD1 :: 126.927(D) CE3 :: 120.849(D) CZ2 :: 114.017(D) CZ3 :: 121.796(D) CH2 :: 124.062(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 :: 8.537 HA :: 4.646(D) HB2 :: 2.726(D) HB3 :: 3.723(D) HD1 :: 7.261(D) HE1 :: 10.187 HE3 :: 7.574(D) HZ2 :: 7.332(D) HZ3 :: 7.013(D) HH2 :: 7.053(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 :: 127.224 NE1 :: 128.872 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.C20 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.25 C 0.23 F 0.18 E 0.14 I 0.08 N 0.04 D 0.02 L 0.01 C Shift Assignments>> C :: 175.412 CA :: 57.129(D) CB :: 37.732(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.424 HA :: 4.846(D) HB2 :: 2.940(D) HB3 :: 3.128(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 :: 120.139 Ave N Shift Values>> N :: 120.17(4.64) 1.C21 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.26 F 0.21 C 0.2 N 0.08 E 0.06 I 0.06 D 0.05 L 0.03 C Shift Assignments>> C :: 175.930 CA :: 56.689(D) CB :: 38.259(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.604 HA :: 4.481(D) HB2 :: 3.041(D) HB3 :: 2.858(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 :: 122.463 Ave N Shift Values>> N :: 120.17(4.64) 1.H22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.4 H 0.39 W 0.2 C Shift Assignments>> C :: 173.150 CA :: 57.656(D) CB :: 29.224(D) CD2 :: 117.039(D) CE1 :: 137.930(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 :: 8.828 HA :: 4.555(D) HB2 :: 3.548(D) HB3 :: 2.636(D) HD2 :: 7.072(D) HE1 :: 7.811(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 :: 122.139 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K23 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.49 K 0.25 R 0.24 G 0.01 C Shift Assignments>> C :: 173.481 CA :: 55.097(D) CB :: 36.885(D) CG :: 25.258(D) CD :: 29.288(D) CE :: 42.114(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 :: 8.210(D) HA :: 5.013(D) HB2 :: 1.885(D) HB3 :: 1.829(D) HG2 :: 1.395(D) HG3 :: 1.537(D) HD2 :: 1.716(D) HD3 :: 1.716(D) HE2 :: 3.096(D) HE3 :: 3.096(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 :: 121.881(D) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C24 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> Y 0.25 F 0.22 C 0.16 N 0.11 D 0.1 L 0.05 I 0.04 E 0.02 C Shift Assignments>> C :: 174.792 CA :: 56.338(D) CB :: 38.747(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 10.485 HA :: 5.097(D) HB2 :: 2.691(D) HB3 :: 3.848(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 :: 129.392 Ave N Shift Values>> N :: 120.17(4.64) 1.V25 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.6 V 0.39 C Shift Assignments>> C :: 173.625 CA :: 58.788(D) CB :: 34.195(D) CG1 :: 20.681(D) CG2 :: 21.267(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 :: 9.532(D) HA :: 5.141(D) HB :: 2.393(D) HG11 :: 1.086(D) HG12 :: 1.086(D) HG13 :: 1.086(D) HG21 :: 1.086(D) HG22 :: 1.086(D) HG23 :: 1.086(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 :: 127.547(D) Ave N Shift Values>> N :: 121.14(4.54) 1.P26 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 177.520 CA :: 62.420(D) CB :: 32.183(D) CG :: 27.438(D) CD :: 51.173(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 :: 4.579(D) HB2 :: 1.898(D) HB3 :: 2.047(D) HG2 :: 2.246(D) HG3 :: 2.372(D) HD2 :: 4.034(D) HD3 :: 4.088(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.E27 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.47 E 0.45 Q 0.04 K 0.01 C Shift Assignments>> C :: 176.316 CA :: 55.782(D) CB :: 31.589(D) CG :: 36.267(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 :: 8.529(D) HA :: 4.476(D) HB2 :: 2.044(D) HB3 :: 1.948(D) HG2 :: 2.258(D) HG3 :: 2.365(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 :: 124.220(D) Ave N Shift Values>> N :: 120.67(3.48) 1.G28 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> G 0.88 C 0.05 L 0.05 C Shift Assignments>> C :: 175.561 CA :: 46.797(D) Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.944 HA2 :: 3.740(D) HA3 :: 4.095(D) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.296 Ave N Shift Values>> N :: 109.67(3.87) 1.K29 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> K 0.44 C 0.37 R 0.16 C Shift Assignments>> C :: 175.607 CA :: 56.260(D) CB :: 32.339(D) CG :: 25.061(D) CD :: 28.898(D) CE :: 42.123(D) Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.033 HA :: 4.371(D) HB2 :: 2.157(D) HB3 :: 1.816(D) HG2 :: 1.556(D) HG3 :: 1.556(D) HD2 :: 1.774(D) HD3 :: 1.774(D) HE2 :: 3.099(D) HE3 :: 3.099(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 :: 126.284 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R30 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.44 R 0.25 G 0.21 K 0.08 HN Overlap>> 1.E9 1.C4 1.E9 1.C4 C Shift Assignments>> C :: 173.379 CA :: 54.350(D) CB :: 34.063(D) CG :: 27.847(D) CD :: 43.723(D) Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.713 HA :: 4.633(D) HB2 :: 1.848(D) HB3 :: 1.976(D) HG2 :: 1.755(D) HG3 :: 1.707(D) HD2 :: 3.251(D) HD3 :: 3.346(D) Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.122 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.F31 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> F 0.77 C 0.21 G 0.01 C Shift Assignments>> C :: 175.136 CA :: 57.155(D) CB :: 42.199(D) CD1 :: 132.194(D) CD2 :: 132.194(D) CE1 :: 131.154(D) CE2 :: 131.154(D) CZ :: 129.590(D) Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.951 HA :: 5.346(D) HB2 :: 3.263(D) HB3 :: 3.118(D) HD1 :: 7.068(D) HD2 :: 7.068(D) HE1 :: 7.426(D) HE2 :: 7.426(D) HZ :: 7.312(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 :: 119.240 Ave N Shift Values>> N :: 120.45(4.18) 1.Y32 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> G 0.55 Y 0.3 C 0.14 C Shift Assignments>> C :: 175.786 CA :: 57.269(D) CB :: 44.485(D) CD1 :: 133.309(D) CD2 :: 133.309(D) CE1 :: 117.698(D) CE2 :: 117.698(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 :: 9.101(D) HA :: 5.197(D) HB2 :: 2.695(D) HB3 :: 2.532(D) HD1 :: 6.948(D) HD2 :: 6.948(D) HE1 :: 6.848(D) HE2 :: 6.848(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 :: 119.790(D) Ave N Shift Values>> N :: 120.52(4.2) 1.C33 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> N 0.61 C 0.16 Y 0.05 D 0.05 F 0.04 E 0.04 L 0.01 C Shift Assignments>> C :: 176.054 CA :: 52.703(D) CB :: 37.375(D) Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.969(D) HA :: 5.710(D) HB2 :: 3.962(D) HB3 :: 3.091(D) Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.687(D) Ave N Shift Values>> N :: 120.17(4.64) 1.R34 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Duplicate PRTL>> C 0.58 G 0.2 R 0.2 C Shift Assignments>> C :: 174.783 CA :: 53.156(D) CB :: 35.337(D) CG :: 26.350(D) CD :: 43.124(D) CZ :: 159.365 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 :: 10.113(D) HA :: 4.813(D) HB2 :: 1.970(D) HB3 :: 1.801(D) HG2 :: 1.745(D) HG3 :: 1.667(D) HD2 :: 3.002(D) HD3 :: 3.618(D) HE :: 8.314 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.503(D) NE :: 87.052 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.D35 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> D 0.69 C 0.15 N 0.14 C Shift Assignments>> C :: 174.928 CA :: 52.828(D) CB :: 39.411(D) CG :: 179.957 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 :: 8.622 HA :: 4.913(D) HB2 :: 2.249(D) HB3 :: 2.780(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 :: 120.369 Ave N Shift Values>> N :: 120.65(3.86) 1.Q36 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Duplicate H Shifts: Duplicate N Shifts: Consistent PRTL>> C 0.51 Q 0.27 E 0.2 C Shift Assignments>> C :: 179.589 CA :: 56.302(D) CB :: 32.187(D) CG :: 34.528(D) CD :: 180.580 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 :: 7.539 HA :: 4.334(D) HB2 :: 1.751(D) HB3 :: 2.300(D) HG2 :: 2.224(D) HG3 :: 2.385(D) HE21 :: 6.942 HE22 :: 7.567 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 126.246 NE2 :: 111.370 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) ########################################################################### Overall Results: #Consistent: 0 #Clerical: 35 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 36 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 36 #Suspicious: 0 C Shift Results: #Consistent: 44 #Duplicate: 122 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 25 #Duplicate: 207 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 23 #Duplicate: 13 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G1 CA = 43.294(D), Expected = 45.35, Std = 1.3400, ChiSquare = 1.2495e-01 1.G1 HA2 = 3.989(D), Expected = 3.97, Std = 0.3700, ChiSquare = 9.5905e-01 1.G1 HA3 = 3.989(D), Expected = 3.90, Std = 0.3700, ChiSquare = 8.0991e-01 1.T2 CA = 62.272(D), Expected = 62.22, Std = 2.5900, ChiSquare = 9.8398e-01 1.T2 CB = 69.826(D), Expected = 69.73, Std = 1.6300, ChiSquare = 9.5304e-01 1.T2 CG2 = 21.695(D), Expected = 21.55, Std = 1.1100, ChiSquare = 8.9607e-01 1.T2 HA = 4.412(D), Expected = 4.46, Std = 0.4800, ChiSquare = 9.2034e-01 1.T2 HB = 4.207(D), Expected = 4.17, Std = 0.3300, ChiSquare = 9.1073e-01 1.T2 HG21 = 1.237(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.7322e-01 1.T2 HG22 = 1.237(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.7322e-01 1.T2 HG23 = 1.237(D), Expected = 1.14, Std = 0.2300, ChiSquare = 6.7322e-01 1.Y3 CA = 58.150(D), Expected = 58.13, Std = 2.5100, ChiSquare = 9.9364e-01 1.Y3 CB = 39.360(D), Expected = 39.32, Std = 2.1600, ChiSquare = 9.8523e-01 1.Y3 CD1 = 133.182(D), Expected = 132.77, Std = 1.1700, ChiSquare = 7.2474e-01 1.Y3 CD2 = 133.182(D), Expected = 132.73, Std = 1.3000, ChiSquare = 7.2807e-01 1.Y3 CE1 = 118.284(D), Expected = 117.93, Std = 1.1900, ChiSquare = 7.6610e-01 1.Y3 CE2 = 118.284(D), Expected = 117.90, Std = 1.1800, ChiSquare = 7.4486e-01 1.Y3 HA = 4.784(D), Expected = 4.63, Std = 0.5600, ChiSquare = 7.8332e-01 1.Y3 HB2 = 3.107(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.9443e-01 1.Y3 HB3 = 3.166(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.0321e-01 1.Y3 HD1 = 7.177(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.1032e-01 1.Y3 HD2 = 7.177(D), Expected = 6.93, Std = 0.3000, ChiSquare = 4.1032e-01 1.Y3 HE1 = 6.786(D), Expected = 6.70, Std = 0.2300, ChiSquare = 7.0847e-01 1.Y3 HE2 = 6.786(D), Expected = 6.71, Std = 0.2300, ChiSquare = 7.4107e-01 1.C4 CA = 53.469(D), Expected = 58.30, Std = 3.3300, ChiSquare = 1.4685e-01 1.C4 CB = 42.215(D), Expected = 32.49, Std = 6.0100, ChiSquare = 1.0563e-01 1.C4 HA = 4.847(D), Expected = 4.66, Std = 0.5500, ChiSquare = 7.3386e-01 1.C4 HB2 = 3.040(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.5573e-01 1.C4 HB3 = 3.040(D), Expected = 2.89, Std = 0.4600, ChiSquare = 7.4436e-01 1.I5 CA = 63.042(D), Expected = 61.61, Std = 2.6800, ChiSquare = 5.9311e-01 1.I5 CB = 39.318(D), Expected = 38.63, Std = 2.0200, ChiSquare = 7.3341e-01 1.I5 CG1 = 27.909(D), Expected = 27.71, Std = 1.6800, ChiSquare = 9.0571e-01 1.I5 CG2 = 20.287(D), Expected = 17.53, Std = 1.3600, ChiSquare = 4.2641e-02 1.I5 CD1 = 15.191(D), Expected = 13.43, Std = 1.6700, ChiSquare = 2.9166e-01 1.I5 H = 9.043(D), Expected = 8.28, Std = 0.6800, ChiSquare = 2.6184e-01 1.I5 HA = 3.982(D), Expected = 4.18, Std = 0.5600, ChiSquare = 7.2366e-01 1.I5 HB = 1.808(D), Expected = 1.78, Std = 0.2900, ChiSquare = 9.2308e-01 1.I5 HG12 = 1.041(D), Expected = 1.28, Std = 0.4000, ChiSquare = 5.5017e-01 1.I5 HG13 = 1.659(D), Expected = 1.19, Std = 0.4100, ChiSquare = 2.5266e-01 1.I5 HG21 = 1.345(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.3202e-02 1.I5 HG22 = 1.345(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.3202e-02 1.I5 HG23 = 1.345(D), Expected = 0.77, Std = 0.2700, ChiSquare = 3.3202e-02 1.I5 HD11 = 0.894(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6056e-01 1.I5 HD12 = 0.894(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6056e-01 1.I5 HD13 = 0.894(D), Expected = 0.68, Std = 0.2900, ChiSquare = 4.6056e-01 1.I5 N = 121.337(D), Expected = 121.46, Std = 4.2800, ChiSquare = 9.7707e-01 1.E6 CA = 56.892(D), Expected = 57.32, Std = 2.0900, ChiSquare = 8.3774e-01 1.E6 CB = 31.179(D), Expected = 30.01, Std = 1.7200, ChiSquare = 4.9673e-01 1.E6 CG = 36.713(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.1235e-01 1.E6 H = 8.728(D), Expected = 8.33, Std = 0.5900, ChiSquare = 4.9995e-01 1.E6 HA = 4.194(D), Expected = 4.25, Std = 0.4100, ChiSquare = 8.9136e-01 1.E6 HB2 = 2.325(D), Expected = 2.02, Std = 0.2100, ChiSquare = 1.4640e-01 1.E6 HB3 = 2.130(D), Expected = 1.99, Std = 0.2300, ChiSquare = 5.4273e-01 1.E6 HG2 = 2.613(D), Expected = 2.27, Std = 0.2100, ChiSquare = 1.0240e-01 1.E6 HG3 = 2.531(D), Expected = 2.25, Std = 0.2200, ChiSquare = 2.0151e-01 1.E6 N = 128.426(D), Expected = 120.67, Std = 3.4800, ChiSquare = 2.5832e-02 1.L7 CA = 56.537(D), Expected = 55.62, Std = 2.1300, ChiSquare = 6.6682e-01 1.L7 CB = 42.565(D), Expected = 42.31, Std = 1.8800, ChiSquare = 8.9211e-01 1.L7 CG = 26.530(D), Expected = 26.78, Std = 1.1000, ChiSquare = 8.2021e-01 1.L7 CD1 = 25.338(D), Expected = 24.72, Std = 1.5900, ChiSquare = 6.9751e-01 1.L7 CD2 = 24.527(D), Expected = 24.05, Std = 1.7000, ChiSquare = 7.7903e-01 1.L7 H = 8.200(D), Expected = 8.23, Std = 0.6500, ChiSquare = 9.6319e-01 1.L7 HA = 3.848(D), Expected = 4.32, Std = 0.4700, ChiSquare = 3.1526e-01 1.L7 HB2 = 1.539(D), Expected = 1.61, Std = 0.3400, ChiSquare = 8.3459e-01 1.L7 HB3 = 1.624(D), Expected = 1.52, Std = 0.3600, ChiSquare = 7.7267e-01 1.L7 HG = 1.564(D), Expected = 1.51, Std = 0.3300, ChiSquare = 8.7002e-01 1.L7 HD11 = 0.635(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8128e-01 1.L7 HD12 = 0.635(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8128e-01 1.L7 HD13 = 0.635(D), Expected = 0.75, Std = 0.2800, ChiSquare = 6.8128e-01 1.L7 HD21 = 0.572(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.8587e-01 1.L7 HD22 = 0.572(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.8587e-01 1.L7 HD23 = 0.572(D), Expected = 0.73, Std = 0.2900, ChiSquare = 5.8587e-01 1.L7 N = 119.549(D), Expected = 121.86, Std = 3.9000, ChiSquare = 5.5347e-01 1.G8 CA = 45.223(D), Expected = 45.35, Std = 1.3400, ChiSquare = 9.2449e-01 1.G8 H = 9.403(D), Expected = 8.33, Std = 0.6500, ChiSquare = 9.8786e-02 1.G8 HA2 = 3.807(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.5955e-01 1.G8 HA3 = 4.421(D), Expected = 3.90, Std = 0.3700, ChiSquare = 1.5910e-01 1.G8 N = 112.714(D), Expected = 109.67, Std = 3.8700, ChiSquare = 4.3154e-01 1.E9 CA = 54.780(D), Expected = 57.32, Std = 2.0900, ChiSquare = 2.2425e-01 1.E9 CB = 30.852(D), Expected = 30.01, Std = 1.7200, ChiSquare = 6.2446e-01 1.E9 CG = 36.602(D), Expected = 36.11, Std = 1.1900, ChiSquare = 6.7928e-01 1.E9 H = 7.676(D), Expected = 8.33, Std = 0.5900, ChiSquare = 2.6766e-01 1.E9 HA = 4.724(D), Expected = 4.25, Std = 0.4100, ChiSquare = 2.4764e-01 1.E9 HB2 = 2.309(D), Expected = 2.02, Std = 0.2100, ChiSquare = 1.6876e-01 1.E9 HB3 = 2.356(D), Expected = 1.99, Std = 0.2300, ChiSquare = 1.1154e-01 1.E9 HG2 = 2.210(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.7510e-01 1.E9 HG3 = 2.554(D), Expected = 2.25, Std = 0.2200, ChiSquare = 1.6703e-01 1.E9 N = 119.069(D), Expected = 120.67, Std = 3.4800, ChiSquare = 6.4547e-01 1.R10 CA = 56.156(D), Expected = 56.77, Std = 2.3100, ChiSquare = 7.9039e-01 1.R10 CB = 31.181(D), Expected = 30.70, Std = 1.8300, ChiSquare = 7.9267e-01 1.R10 CG = 27.618(D), Expected = 27.21, Std = 1.2000, ChiSquare = 7.3386e-01 1.R10 CD = 43.273(D), Expected = 43.16, Std = 0.8800, ChiSquare = 8.9783e-01 1.R10 H = 8.649(D), Expected = 8.24, Std = 0.6100, ChiSquare = 5.0254e-01 1.R10 HA = 4.493(D), Expected = 4.30, Std = 0.4600, ChiSquare = 6.7480e-01 1.R10 HB2 = 1.832(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.7638e-01 1.R10 HB3 = 1.832(D), Expected = 1.76, Std = 0.2800, ChiSquare = 7.9707e-01 1.R10 HG2 = 1.517(D), Expected = 1.57, Std = 0.2700, ChiSquare = 8.4438e-01 1.R10 HG3 = 1.844(D), Expected = 1.54, Std = 0.2900, ChiSquare = 2.9451e-01 1.R10 HD2 = 3.136(D), Expected = 3.12, Std = 0.2400, ChiSquare = 9.4685e-01 1.R10 HD3 = 3.171(D), Expected = 3.10, Std = 0.2600, ChiSquare = 7.8479e-01 1.R10 N = 119.570(D), Expected = 120.80, Std = 3.6800, ChiSquare = 7.3820e-01 1.C11 CA = 51.335(D), Expected = 58.30, Std = 3.3300, ChiSquare = 3.6475e-02 1.C11 CB = 48.475(D), Expected = 32.49, Std = 6.0100, ChiSquare = 7.8202e-03 1.C11 H = 8.099(D), Expected = 8.39, Std = 0.6700, ChiSquare = 6.6405e-01 1.C11 HA = 5.110(D), Expected = 4.66, Std = 0.5500, ChiSquare = 4.1325e-01 1.C11 HB2 = 3.034(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.6644e-01 1.C11 HB3 = 3.552(D), Expected = 2.89, Std = 0.4600, ChiSquare = 1.5011e-01 1.C11 N = 116.099(D), Expected = 120.17, Std = 4.6400, ChiSquare = 3.8029e-01 1.P12 CA = 61.343(D), Expected = 63.33, Std = 1.5200, ChiSquare = 1.9113e-01 1.P12 CB = 31.648(D), Expected = 31.85, Std = 1.1800, ChiSquare = 8.6408e-01 1.P12 CG = 26.750(D), Expected = 27.17, Std = 1.0900, ChiSquare = 7.0000e-01 1.P12 CD = 49.563(D), Expected = 50.32, Std = 0.9900, ChiSquare = 4.4448e-01 1.P12 HA = 4.354(D), Expected = 4.40, Std = 0.3300, ChiSquare = 8.8914e-01 1.P12 HB2 = 1.715(D), Expected = 2.08, Std = 0.3500, ChiSquare = 2.9701e-01 1.P12 HB3 = 1.715(D), Expected = 2.00, Std = 0.3600, ChiSquare = 4.2856e-01 1.P12 HG2 = 1.610(D), Expected = 1.93, Std = 0.3100, ChiSquare = 3.0195e-01 1.P12 HG3 = 1.610(D), Expected = 1.90, Std = 0.3300, ChiSquare = 3.7952e-01 1.P12 HD2 = 3.494(D), Expected = 3.65, Std = 0.3500, ChiSquare = 6.5580e-01 1.P12 HD3 = 3.494(D), Expected = 3.61, Std = 0.3900, ChiSquare = 7.6613e-01 1.N13 CA = 50.734(D), Expected = 53.54, Std = 1.8800, ChiSquare = 1.3555e-01 1.N13 CB = 38.667(D), Expected = 38.69, Std = 1.6900, ChiSquare = 9.8914e-01 1.N13 HA = 2.759(S), Expected = 4.67, Std = 0.3600, ChiSquare = 1.1063e-07 1.N13 HB2 = 2.584(D), Expected = 2.81, Std = 0.3100, ChiSquare = 4.6598e-01 1.N13 HB3 = 2.747(D), Expected = 2.75, Std = 0.3300, ChiSquare = 9.9275e-01 1.P14 CA = 63.872(D), Expected = 63.33, Std = 1.5200, ChiSquare = 7.2141e-01 1.P14 CB = 31.110(D), Expected = 31.85, Std = 1.1800, ChiSquare = 5.3058e-01 1.P14 CG = 26.198(D), Expected = 27.17, Std = 1.0900, ChiSquare = 3.7253e-01 1.P14 CD = 51.676(D), Expected = 50.32, Std = 0.9900, ChiSquare = 1.7078e-01 1.P14 HA = 4.502(D), Expected = 4.40, Std = 0.3300, ChiSquare = 7.5725e-01 1.P14 HB2 = 1.881(D), Expected = 2.08, Std = 0.3500, ChiSquare = 5.6965e-01 1.P14 HB3 = 2.194(D), Expected = 2.00, Std = 0.3600, ChiSquare = 5.8996e-01 1.P14 HG2 = 1.817(D), Expected = 1.93, Std = 0.3100, ChiSquare = 7.1547e-01 1.P14 HG3 = 1.777(D), Expected = 1.90, Std = 0.3300, ChiSquare = 7.0935e-01 1.P14 HD2 = 2.810(D), Expected = 3.65, Std = 0.3500, ChiSquare = 1.6395e-02 1.P14 HD3 = 2.959(D), Expected = 3.61, Std = 0.3900, ChiSquare = 9.5072e-02 1.R15 CA = 59.012(D), Expected = 56.77, Std = 2.3100, ChiSquare = 3.3177e-01 1.R15 CB = 29.608(D), Expected = 30.70, Std = 1.8300, ChiSquare = 5.5069e-01 1.R15 CG = 27.017(D), Expected = 27.21, Std = 1.2000, ChiSquare = 8.7222e-01 1.R15 CD = 43.420(D), Expected = 43.16, Std = 0.8800, ChiSquare = 7.6765e-01 1.R15 HA = 4.178(D), Expected = 4.30, Std = 0.4600, ChiSquare = 7.9084e-01 1.R15 HB2 = 1.903(D), Expected = 1.79, Std = 0.2700, ChiSquare = 6.7557e-01 1.R15 HB3 = 1.737(D), Expected = 1.76, Std = 0.2800, ChiSquare = 9.3453e-01 1.R15 HG2 = 1.686(D), Expected = 1.57, Std = 0.2700, ChiSquare = 6.6746e-01 1.R15 HG3 = 1.574(D), Expected = 1.54, Std = 0.2900, ChiSquare = 9.0667e-01 1.R15 HD2 = 3.244(D), Expected = 3.12, Std = 0.2400, ChiSquare = 6.0539e-01 1.R15 HD3 = 3.282(D), Expected = 3.10, Std = 0.2600, ChiSquare = 4.8393e-01 1.E16 CA = 55.895(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.9535e-01 1.E16 CB = 29.855(D), Expected = 30.01, Std = 1.7200, ChiSquare = 9.2820e-01 1.E16 CG = 37.078(D), Expected = 36.11, Std = 1.1900, ChiSquare = 4.1596e-01 1.E16 HA = 4.548(D), Expected = 4.25, Std = 0.4100, ChiSquare = 4.6733e-01 1.E16 HB2 = 2.102(D), Expected = 2.02, Std = 0.2100, ChiSquare = 6.9618e-01 1.E16 HB3 = 2.535(D), Expected = 1.99, Std = 0.2300, ChiSquare = 1.7809e-02 1.E16 HG2 = 2.324(D), Expected = 2.27, Std = 0.2100, ChiSquare = 7.9707e-01 1.E16 HG3 = 2.324(D), Expected = 2.25, Std = 0.2200, ChiSquare = 7.3660e-01 1.G17 CA = 44.066(D), Expected = 45.35, Std = 1.3400, ChiSquare = 3.3796e-01 1.G17 HA2 = 4.147(D), Expected = 3.97, Std = 0.3700, ChiSquare = 6.3238e-01 1.G17 HA3 = 3.442(D), Expected = 3.90, Std = 0.3700, ChiSquare = 2.1578e-01 1.D18 CA = 53.090(D), Expected = 54.69, Std = 2.0300, ChiSquare = 4.3059e-01 1.D18 CB = 41.964(D), Expected = 40.88, Std = 1.6200, ChiSquare = 5.0341e-01 1.D18 HA = 4.901(D), Expected = 4.59, Std = 0.3200, ChiSquare = 3.3111e-01 1.D18 HB2 = 2.405(D), Expected = 2.72, Std = 0.2600, ChiSquare = 2.2569e-01 1.D18 HB3 = 3.086(D), Expected = 2.66, Std = 0.2800, ChiSquare = 1.2815e-01 1.W19 CA = 58.172(D), Expected = 57.66, Std = 2.5800, ChiSquare = 8.4269e-01 1.W19 CB = 30.230(D), Expected = 30.01, Std = 2.0100, ChiSquare = 9.1284e-01 1.W19 CD1 = 126.927(D), Expected = 126.51, Std = 1.8300, ChiSquare = 8.1975e-01 1.W19 CE3 = 120.849(D), Expected = 120.43, Std = 1.7900, ChiSquare = 8.1492e-01 1.W19 CZ2 = 114.017(D), Expected = 114.26, Std = 1.1200, ChiSquare = 8.2824e-01 1.W19 CZ3 = 121.796(D), Expected = 121.35, Std = 1.5300, ChiSquare = 7.7067e-01 1.W19 CH2 = 124.062(D), Expected = 123.86, Std = 1.4200, ChiSquare = 8.8688e-01 1.W19 HA = 4.646(D), Expected = 4.68, Std = 0.5300, ChiSquare = 9.4885e-01 1.W19 HB2 = 2.726(D), Expected = 3.19, Std = 0.3500, ChiSquare = 1.8493e-01 1.W19 HB3 = 3.723(D), Expected = 3.12, Std = 0.3600, ChiSquare = 9.3934e-02 1.W19 HD1 = 7.261(D), Expected = 7.14, Std = 0.3600, ChiSquare = 7.3679e-01 1.W19 HE3 = 7.574(D), Expected = 7.31, Std = 0.4100, ChiSquare = 5.1964e-01 1.W19 HZ2 = 7.332(D), Expected = 7.28, Std = 0.3300, ChiSquare = 8.7479e-01 1.W19 HZ3 = 7.013(D), Expected = 6.86, Std = 0.4000, ChiSquare = 7.0209e-01 1.W19 HH2 = 7.053(D), Expected = 6.98, Std = 0.3900, ChiSquare = 8.5152e-01 1.C20 CA = 57.129(D), Expected = 58.30, Std = 3.3300, ChiSquare = 7.2510e-01 1.C20 CB = 37.732(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.8309e-01 1.C20 HA = 4.846(D), Expected = 4.66, Std = 0.5500, ChiSquare = 7.3523e-01 1.C20 HB2 = 2.940(D), Expected = 2.96, Std = 0.4400, ChiSquare = 9.6375e-01 1.C20 HB3 = 3.128(D), Expected = 2.89, Std = 0.4600, ChiSquare = 6.0488e-01 1.C21 CA = 56.689(D), Expected = 58.30, Std = 3.3300, ChiSquare = 6.2854e-01 1.C21 CB = 38.259(D), Expected = 32.49, Std = 6.0100, ChiSquare = 3.3711e-01 1.C21 HA = 4.481(D), Expected = 4.66, Std = 0.5500, ChiSquare = 7.4484e-01 1.C21 HB2 = 3.041(D), Expected = 2.96, Std = 0.4400, ChiSquare = 8.5394e-01 1.C21 HB3 = 2.858(D), Expected = 2.89, Std = 0.4600, ChiSquare = 9.4454e-01 1.H22 CA = 57.656(D), Expected = 56.52, Std = 2.3100, ChiSquare = 6.2288e-01 1.H22 CB = 29.224(D), Expected = 30.24, Std = 2.0700, ChiSquare = 6.2355e-01 1.H22 CD2 = 117.039(D), Expected = 120.49, Std = 3.4200, ChiSquare = 3.1294e-01 1.H22 CE1 = 137.930(D), Expected = 137.71, Std = 2.1200, ChiSquare = 9.1735e-01 1.H22 HA = 4.555(D), Expected = 4.61, Std = 0.4300, ChiSquare = 8.9822e-01 1.H22 HB2 = 3.548(D), Expected = 3.10, Std = 0.3600, ChiSquare = 2.1334e-01 1.H22 HB3 = 2.636(D), Expected = 3.04, Std = 0.3800, ChiSquare = 2.8771e-01 1.H22 HD2 = 7.072(D), Expected = 7.00, Std = 0.4300, ChiSquare = 8.6702e-01 1.H22 HE1 = 7.811(D), Expected = 7.95, Std = 0.4800, ChiSquare = 7.7213e-01 1.K23 CA = 55.097(D), Expected = 56.95, Std = 2.2000, ChiSquare = 3.9964e-01 1.K23 CB = 36.885(D), Expected = 32.79, Std = 1.7800, ChiSquare = 2.1416e-02 1.K23 CG = 25.258(D), Expected = 24.89, Std = 1.1300, ChiSquare = 7.4468e-01 1.K23 CD = 29.288(D), Expected = 28.96, Std = 1.0800, ChiSquare = 7.6135e-01 1.K23 CE = 42.114(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.8472e-01 1.K23 H = 8.210(D), Expected = 8.19, Std = 0.6000, ChiSquare = 9.7341e-01 1.K23 HA = 5.013(D), Expected = 4.27, Std = 0.4400, ChiSquare = 9.1289e-02 1.K23 HB2 = 1.885(D), Expected = 1.78, Std = 0.2500, ChiSquare = 6.7449e-01 1.K23 HB3 = 1.829(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.4168e-01 1.K23 HG2 = 1.395(D), Expected = 1.37, Std = 0.2600, ChiSquare = 9.2340e-01 1.K23 HG3 = 1.537(D), Expected = 1.35, Std = 0.2800, ChiSquare = 5.0422e-01 1.K23 HD2 = 1.716(D), Expected = 1.61, Std = 0.2200, ChiSquare = 6.2993e-01 1.K23 HD3 = 1.716(D), Expected = 1.60, Std = 0.2200, ChiSquare = 5.9800e-01 1.K23 HE2 = 3.096(D), Expected = 2.92, Std = 0.1900, ChiSquare = 3.5428e-01 1.K23 HE3 = 3.096(D), Expected = 2.91, Std = 0.2000, ChiSquare = 3.5237e-01 1.K23 N = 121.881(D), Expected = 121.05, Std = 3.7700, ChiSquare = 8.2554e-01 1.C24 CA = 56.338(D), Expected = 58.30, Std = 3.3300, ChiSquare = 5.5573e-01 1.C24 CB = 38.747(D), Expected = 32.49, Std = 6.0100, ChiSquare = 2.9783e-01 1.C24 HA = 5.097(D), Expected = 4.66, Std = 0.5500, ChiSquare = 4.2688e-01 1.C24 HB2 = 2.691(D), Expected = 2.96, Std = 0.4400, ChiSquare = 5.4096e-01 1.C24 HB3 = 3.848(D), Expected = 2.89, Std = 0.4600, ChiSquare = 3.7287e-02 1.V25 CA = 58.788(D), Expected = 62.49, Std = 2.8600, ChiSquare = 1.9553e-01 1.V25 CB = 34.195(D), Expected = 32.73, Std = 1.7900, ChiSquare = 4.1311e-01 1.V25 CG1 = 20.681(D), Expected = 21.49, Std = 1.3600, ChiSquare = 5.5194e-01 1.V25 CG2 = 21.267(D), Expected = 21.26, Std = 1.5600, ChiSquare = 9.9642e-01 1.V25 H = 9.532(D), Expected = 8.29, Std = 0.6700, ChiSquare = 6.3778e-02 1.V25 HA = 5.141(D), Expected = 4.19, Std = 0.5800, ChiSquare = 1.0108e-01 1.V25 HB = 2.393(D), Expected = 1.98, Std = 0.3200, ChiSquare = 1.9683e-01 1.V25 HG11 = 1.086(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.2481e-01 1.V25 HG12 = 1.086(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.2481e-01 1.V25 HG13 = 1.086(D), Expected = 0.83, Std = 0.2600, ChiSquare = 3.2481e-01 1.V25 HG21 = 1.086(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.0705e-01 1.V25 HG22 = 1.086(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.0705e-01 1.V25 HG23 = 1.086(D), Expected = 0.80, Std = 0.2800, ChiSquare = 3.0705e-01 1.V25 N = 127.547(D), Expected = 121.14, Std = 4.5400, ChiSquare = 1.5818e-01 1.P26 CA = 62.420(D), Expected = 63.33, Std = 1.5200, ChiSquare = 5.4938e-01 1.P26 CB = 32.183(D), Expected = 31.85, Std = 1.1800, ChiSquare = 7.7779e-01 1.P26 CG = 27.438(D), Expected = 27.17, Std = 1.0900, ChiSquare = 8.0578e-01 1.P26 CD = 51.173(D), Expected = 50.32, Std = 0.9900, ChiSquare = 3.8890e-01 1.P26 HA = 4.579(D), Expected = 4.40, Std = 0.3300, ChiSquare = 5.8753e-01 1.P26 HB2 = 1.898(D), Expected = 2.08, Std = 0.3500, ChiSquare = 6.0306e-01 1.P26 HB3 = 2.047(D), Expected = 2.00, Std = 0.3600, ChiSquare = 8.9613e-01 1.P26 HG2 = 2.246(D), Expected = 1.93, Std = 0.3100, ChiSquare = 3.0803e-01 1.P26 HG3 = 2.372(D), Expected = 1.90, Std = 0.3300, ChiSquare = 1.5263e-01 1.P26 HD2 = 4.034(D), Expected = 3.65, Std = 0.3500, ChiSquare = 2.7258e-01 1.P26 HD3 = 4.088(D), Expected = 3.61, Std = 0.3900, ChiSquare = 2.2033e-01 1.E27 CA = 55.782(D), Expected = 57.32, Std = 2.0900, ChiSquare = 4.6180e-01 1.E27 CB = 31.589(D), Expected = 30.01, Std = 1.7200, ChiSquare = 3.5861e-01 1.E27 CG = 36.267(D), Expected = 36.11, Std = 1.1900, ChiSquare = 8.9504e-01 1.E27 H = 8.529(D), Expected = 8.33, Std = 0.5900, ChiSquare = 7.3590e-01 1.E27 HA = 4.476(D), Expected = 4.25, Std = 0.4100, ChiSquare = 5.8148e-01 1.E27 HB2 = 2.044(D), Expected = 2.02, Std = 0.2100, ChiSquare = 9.0901e-01 1.E27 HB3 = 1.948(D), Expected = 1.99, Std = 0.2300, ChiSquare = 8.5511e-01 1.E27 HG2 = 2.258(D), Expected = 2.27, Std = 0.2100, ChiSquare = 9.5443e-01 1.E27 HG3 = 2.365(D), Expected = 2.25, Std = 0.2200, ChiSquare = 6.0116e-01 1.E27 N = 124.220(D), Expected = 120.67, Std = 3.4800, ChiSquare = 3.0767e-01 1.G28 CA = 46.797(D), Expected = 45.35, Std = 1.3400, ChiSquare = 2.8021e-01 1.G28 HA2 = 3.740(D), Expected = 3.97, Std = 0.3700, ChiSquare = 5.3419e-01 1.G28 HA3 = 4.095(D), Expected = 3.90, Std = 0.3700, ChiSquare = 5.9817e-01 1.K29 CA = 56.260(D), Expected = 56.95, Std = 2.2000, ChiSquare = 7.5380e-01 1.K29 CB = 32.339(D), Expected = 32.79, Std = 1.7800, ChiSquare = 7.9998e-01 1.K29 CG = 25.061(D), Expected = 24.89, Std = 1.1300, ChiSquare = 8.7972e-01 1.K29 CD = 28.898(D), Expected = 28.96, Std = 1.0800, ChiSquare = 9.5422e-01 1.K29 CE = 42.123(D), Expected = 41.89, Std = 0.8200, ChiSquare = 7.7630e-01 1.K29 HA = 4.371(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.1844e-01 1.K29 HB2 = 2.157(D), Expected = 1.78, Std = 0.2500, ChiSquare = 1.3155e-01 1.K29 HB3 = 1.816(D), Expected = 1.74, Std = 0.2700, ChiSquare = 7.7834e-01 1.K29 HG2 = 1.556(D), Expected = 1.37, Std = 0.2600, ChiSquare = 4.7437e-01 1.K29 HG3 = 1.556(D), Expected = 1.35, Std = 0.2800, ChiSquare = 4.6190e-01 1.K29 HD2 = 1.774(D), Expected = 1.61, Std = 0.2200, ChiSquare = 4.5600e-01 1.K29 HD3 = 1.774(D), Expected = 1.60, Std = 0.2200, ChiSquare = 4.2900e-01 1.K29 HE2 = 3.099(D), Expected = 2.92, Std = 0.1900, ChiSquare = 3.4614e-01 1.K29 HE3 = 3.099(D), Expected = 2.91, Std = 0.2000, ChiSquare = 3.4466e-01 1.R30 CA = 54.350(D), Expected = 56.77, Std = 2.3100, ChiSquare = 2.9481e-01 1.R30 CB = 34.063(D), Expected = 30.70, Std = 1.8300, ChiSquare = 6.6106e-02 1.R30 CG = 27.847(D), Expected = 27.21, Std = 1.2000, ChiSquare = 5.9553e-01 1.R30 CD = 43.723(D), Expected = 43.16, Std = 0.8800, ChiSquare = 5.2232e-01 1.R30 HA = 4.633(D), Expected = 4.30, Std = 0.4600, ChiSquare = 4.6912e-01 1.R30 HB2 = 1.848(D), Expected = 1.79, Std = 0.2700, ChiSquare = 8.2991e-01 1.R30 HB3 = 1.976(D), Expected = 1.76, Std = 0.2800, ChiSquare = 4.4045e-01 1.R30 HG2 = 1.755(D), Expected = 1.57, Std = 0.2700, ChiSquare = 4.9323e-01 1.R30 HG3 = 1.707(D), Expected = 1.54, Std = 0.2900, ChiSquare = 5.6471e-01 1.R30 HD2 = 3.251(D), Expected = 3.12, Std = 0.2400, ChiSquare = 5.8518e-01 1.R30 HD3 = 3.346(D), Expected = 3.10, Std = 0.2600, ChiSquare = 3.4407e-01 1.F31 CA = 57.155(D), Expected = 58.08, Std = 2.5700, ChiSquare = 7.1891e-01 1.F31 CB = 42.199(D), Expected = 39.99, Std = 2.0900, ChiSquare = 2.9054e-01 1.F31 CD1 = 132.194(D), Expected = 131.58, Std = 1.1800, ChiSquare = 6.0283e-01 1.F31 CD2 = 132.194(D), Expected = 131.63, Std = 1.1200, ChiSquare = 6.1456e-01 1.F31 CE1 = 131.154(D), Expected = 130.71, Std = 1.3000, ChiSquare = 7.3270e-01 1.F31 CE2 = 131.154(D), Expected = 130.76, Std = 1.1300, ChiSquare = 7.2733e-01 1.F31 CZ = 129.590(D), Expected = 129.21, Std = 1.4300, ChiSquare = 7.9044e-01 1.F31 HA = 5.346(D), Expected = 4.63, Std = 0.5700, ChiSquare = 2.0906e-01 1.F31 HB2 = 3.263(D), Expected = 3.00, Std = 0.3700, ChiSquare = 4.7720e-01 1.F31 HB3 = 3.118(D), Expected = 2.93, Std = 0.4000, ChiSquare = 6.3835e-01 1.F31 HD1 = 7.068(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.7941e-01 1.F31 HD2 = 7.068(D), Expected = 7.06, Std = 0.3100, ChiSquare = 9.7941e-01 1.F31 HE1 = 7.426(D), Expected = 7.08, Std = 0.3100, ChiSquare = 2.6437e-01 1.F31 HE2 = 7.426(D), Expected = 7.08, Std = 0.3200, ChiSquare = 2.7959e-01 1.F31 HZ = 7.312(D), Expected = 7.00, Std = 0.4200, ChiSquare = 4.5757e-01 1.Y32 CA = 57.269(D), Expected = 58.13, Std = 2.5100, ChiSquare = 7.3158e-01 1.Y32 CB = 44.485(D), Expected = 39.32, Std = 2.1600, ChiSquare = 1.6793e-02 1.Y32 CD1 = 133.309(D), Expected = 132.77, Std = 1.1700, ChiSquare = 6.4503e-01 1.Y32 CD2 = 133.309(D), Expected = 132.73, Std = 1.3000, ChiSquare = 6.5604e-01 1.Y32 CE1 = 117.698(D), Expected = 117.93, Std = 1.1900, ChiSquare = 8.4543e-01 1.Y32 CE2 = 117.698(D), Expected = 117.90, Std = 1.1800, ChiSquare = 8.6408e-01 1.Y32 H = 9.101(D), Expected = 8.32, Std = 0.7300, ChiSquare = 2.8468e-01 1.Y32 HA = 5.197(D), Expected = 4.63, Std = 0.5600, ChiSquare = 3.1130e-01 1.Y32 HB2 = 2.695(D), Expected = 2.91, Std = 0.3700, ChiSquare = 5.6119e-01 1.Y32 HB3 = 2.532(D), Expected = 2.84, Std = 0.3900, ChiSquare = 4.2968e-01 1.Y32 HD1 = 6.948(D), Expected = 6.93, Std = 0.3000, ChiSquare = 9.5216e-01 1.Y32 HD2 = 6.948(D), Expected = 6.93, Std = 0.3000, ChiSquare = 9.5216e-01 1.Y32 HE1 = 6.848(D), Expected = 6.70, Std = 0.2300, ChiSquare = 5.1991e-01 1.Y32 HE2 = 6.848(D), Expected = 6.71, Std = 0.2300, ChiSquare = 5.4851e-01 1.Y32 N = 119.790(D), Expected = 120.52, Std = 4.2000, ChiSquare = 8.6202e-01 1.C33 CA = 52.703(D), Expected = 58.30, Std = 3.3300, ChiSquare = 9.2806e-02 1.C33 CB = 37.375(D), Expected = 32.49, Std = 6.0100, ChiSquare = 4.1633e-01 1.C33 H = 8.969(D), Expected = 8.39, Std = 0.6700, ChiSquare = 3.8749e-01 1.C33 HA = 5.710(D), Expected = 4.66, Std = 0.5500, ChiSquare = 5.6250e-02 1.C33 HB2 = 3.962(D), Expected = 2.96, Std = 0.4400, ChiSquare = 2.2770e-02 1.C33 HB3 = 3.091(D), Expected = 2.89, Std = 0.4600, ChiSquare = 6.6214e-01 1.C33 N = 119.687(D), Expected = 120.17, Std = 4.6400, ChiSquare = 9.1709e-01 1.R34 CA = 53.156(D), Expected = 56.77, Std = 2.3100, ChiSquare = 1.1770e-01 1.R34 CB = 35.337(D), Expected = 30.70, Std = 1.8300, ChiSquare = 1.1281e-02 1.R34 CG = 26.350(D), Expected = 27.21, Std = 1.2000, ChiSquare = 4.7358e-01 1.R34 CD = 43.124(D), Expected = 43.16, Std = 0.8800, ChiSquare = 9.6737e-01 1.R34 H = 10.113(D), Expected = 8.24, Std = 0.6100, ChiSquare = 2.1371e-03 1.R34 HA = 4.813(D), Expected = 4.30, Std = 0.4600, ChiSquare = 2.6476e-01 1.R34 HB2 = 1.970(D), Expected = 1.79, Std = 0.2700, ChiSquare = 5.0499e-01 1.R34 HB3 = 1.801(D), Expected = 1.76, Std = 0.2800, ChiSquare = 8.8358e-01 1.R34 HG2 = 1.745(D), Expected = 1.57, Std = 0.2700, ChiSquare = 5.1689e-01 1.R34 HG3 = 1.667(D), Expected = 1.54, Std = 0.2900, ChiSquare = 6.6144e-01 1.R34 HD2 = 3.002(D), Expected = 3.12, Std = 0.2400, ChiSquare = 6.2295e-01 1.R34 HD3 = 3.618(D), Expected = 3.10, Std = 0.2600, ChiSquare = 4.6337e-02 1.R34 N = 124.503(D), Expected = 120.80, Std = 3.6800, ChiSquare = 3.1430e-01 1.D35 CA = 52.828(D), Expected = 54.69, Std = 2.0300, ChiSquare = 3.5902e-01 1.D35 CB = 39.411(D), Expected = 40.88, Std = 1.6200, ChiSquare = 3.6452e-01 1.D35 HA = 4.913(D), Expected = 4.59, Std = 0.3200, ChiSquare = 3.1279e-01 1.D35 HB2 = 2.249(D), Expected = 2.72, Std = 0.2600, ChiSquare = 7.0058e-02 1.D35 HB3 = 2.780(D), Expected = 2.66, Std = 0.2800, ChiSquare = 6.6823e-01 1.Q36 CA = 56.302(D), Expected = 56.57, Std = 2.1400, ChiSquare = 9.0034e-01 1.Q36 CB = 32.187(D), Expected = 29.19, Std = 1.8200, ChiSquare = 9.9619e-02 1.Q36 CG = 34.528(D), Expected = 33.76, Std = 1.1100, ChiSquare = 4.8901e-01 1.Q36 HA = 4.334(D), Expected = 4.27, Std = 0.4400, ChiSquare = 8.8435e-01 1.Q36 HB2 = 1.751(D), Expected = 2.05, Std = 0.2500, ChiSquare = 2.3170e-01 1.Q36 HB3 = 2.300(D), Expected = 2.02, Std = 0.2800, ChiSquare = 3.1731e-01 1.Q36 HG2 = 2.224(D), Expected = 2.32, Std = 0.2700, ChiSquare = 7.2217e-01 1.Q36 HG3 = 2.385(D), Expected = 2.29, Std = 0.2900, ChiSquare = 7.4322e-01