Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.44 K 0.44 R 0.1 C Shift Assignments>> C :: 178.309 CA :: 58.654 CB :: 32.598 CG :: 24.957 CD :: 28.954 CE :: 42.029 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>> HA :: 4.161 HB2 :: 1.889 HB3 :: 1.889 HG2 :: 1.431 HG3 :: 1.431 HD2 :: 1.713 HD3 :: 1.713 HE2 :: 3.016 HE3 :: 3.016 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.T3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 175.030 CA :: 64.401 CB :: 68.916 CG2 :: 22.624 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 :: 8.331 HA :: 4.098 HB :: 4.200 HG21 :: 1.283 HG22 :: 1.283 HG23 :: 1.283 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 :: 115.036 Ave N Shift Values>> N :: 115.42(4.75) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.29 C 0.03 I 0.01 C Shift Assignments>> C :: 179.394 CA :: 54.435 CB :: 18.966 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.016 HA :: 4.168 HB1 :: 1.435 HB2 :: 1.435 HB3 :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.795 Ave N Shift Values>> N :: 123.23(3.54) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.39 R 0.02 HN Overlap>> 1.E84 1.E84 C Shift Assignments>> C :: 178.926 CA :: 57.333 CB :: 41.859 CG :: 27.291 CD1 :: 24.697 CD2 :: 23.264 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 :: 7.940 HA :: 4.136 HB2 :: 1.574 HB3 :: 1.574 HG :: 1.710 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.853 HD22 :: 0.853 HD23 :: 0.853 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 :: 119.683 Ave N Shift Values>> N :: 121.86(3.9) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.46 G 0.01 C Shift Assignments>> C :: 178.259 CA :: 57.737 CB :: 42.206 CG :: 27.652 CD1 :: 23.372 CD2 :: 23.372 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 :: 7.772 HA :: 4.142 HB2 :: 1.684 HB3 :: 1.684 HG :: 1.813 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.461 Ave N Shift Values>> N :: 121.86(3.9) 1.L7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.45 R 0.03 C Shift Assignments>> C :: 178.064 CA :: 58.427 CB :: 41.980 CG :: 27.529 CD1 :: 24.847 CD2 :: 24.847 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 :: 7.819 HA :: 3.944 HB2 :: 1.813 HB3 :: 1.674 HG :: 1.746 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 HD21 :: 0.868 HD22 :: 0.868 HD23 :: 0.868 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.551 Ave N Shift Values>> N :: 121.86(3.9) 1.E8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.35 I 0.13 K 0.06 Q 0.04 M 0.02 C Shift Assignments>> C :: 179.902 CA :: 59.421 CB :: 29.719 CG :: 36.118 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 :: 8.031 HA :: 4.105 HB2 :: 2.105 HB3 :: 2.105 HG2 :: 2.294 HG3 :: 2.446 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 :: 117.617 Ave N Shift Values>> N :: 120.67(3.48) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.45 R 0.08 C Shift Assignments>> C :: 179.869 CA :: 59.377 CB :: 32.387 CG :: 24.743 CD :: 29.150 CE :: 41.992 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 :: 8.106 HA :: 4.134 HB2 :: 2.035 HB3 :: 2.035 HG2 :: 1.375 HG3 :: 1.375 HD2 :: 1.679 HD3 :: 1.679 HE2 :: 2.918 HE3 :: 2.918 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 :: 121.008 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.4 R 0.06 C Shift Assignments>> C :: 178.546 CA :: 58.111 CB :: 41.935 CG :: 26.856 CD1 :: 26.089 CD2 :: 24.710 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 :: 8.161 HA :: 4.108 HB2 :: 1.248 HB3 :: 1.885 HG :: 1.899 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 HD21 :: 0.875 HD22 :: 0.875 HD23 :: 0.875 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.716 Ave N Shift Values>> N :: 121.86(3.9) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.34 I 0.14 K 0.04 Q 0.02 M 0.02 C Shift Assignments>> C :: 179.988 CA :: 59.769 CB :: 29.958 CG :: 36.284 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 :: 8.819 HA :: 3.985 HB2 :: 2.221 HB3 :: 2.127 HG2 :: 2.353 HG3 :: 2.353 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 :: 119.132 Ave N Shift Values>> N :: 120.67(3.48) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.06 L 0.04 A 0.01 C Shift Assignments>> C :: 176.485 CA :: 47.119 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.094 HA2 :: 3.991 HA3 :: 3.991 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.929 Ave N Shift Values>> N :: 109.67(3.87) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.22 K 0.22 E 0.13 I 0.03 M 0.02 R 0.01 HN Overlap>> 1.L17 1.L17 C Shift Assignments>> C :: 178.976 CA :: 59.161 CB :: 29.278 CG :: 34.336 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 :: 8.227 HA :: 4.128 HB2 :: 2.272 HB3 :: 2.272 HG2 :: 2.284 HG3 :: 2.561 HE21 :: 7.210 HE22 :: 6.652 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.270 NE2 :: 108.156 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.42 C Shift Assignments>> C :: 177.709 CA :: 58.360 CB :: 40.968 CD1 :: 25.090 CD2 :: 23.091 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 :: 8.428 HA :: 3.968 HB2 :: 2.049 HB3 :: 1.468 HD11 :: 0.958 HD12 :: 0.958 HD13 :: 0.958 HD21 :: 0.813 HD22 :: 0.813 HD23 :: 0.813 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.329 Ave N Shift Values>> N :: 121.86(3.9) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.25 I 0.07 C 0.03 C Shift Assignments>> C :: 181.408 CA :: 55.909 CB :: 18.105 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.198 HA :: 4.061 HB1 :: 1.537 HB2 :: 1.537 HB3 :: 1.537 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.266 Ave N Shift Values>> N :: 123.23(3.54) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.872 CA :: 66.537 CB :: 68.780 CG2 :: 21.614 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 :: 8.265 HA :: 4.025 HB :: 4.308 HG21 :: 1.289 HG22 :: 1.289 HG23 :: 1.289 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 :: 115.360 Ave N Shift Values>> N :: 115.42(4.75) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.39 R 0.1 G 0.01 HN Overlap>> 1.Q13 1.Q13 C Shift Assignments>> C :: 179.180 CA :: 58.237 CB :: 42.334 CG :: 27.116 CD1 :: 25.922 CD2 :: 23.639 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 :: 8.239 HA :: 4.100 HB2 :: 1.422 HB3 :: 1.964 HG :: 1.655 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 HD21 :: 0.913 HD22 :: 0.913 HD23 :: 0.913 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.321 Ave N Shift Values>> N :: 121.86(3.9) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 G 0.23 R 0.18 K 0.01 C Shift Assignments>> C :: 179.228 CA :: 60.542 CB :: 30.279 CG :: 28.844 CD :: 44.008 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 :: 8.936 HA :: 3.863 HB2 :: 1.948 HB3 :: 1.948 HG2 :: 1.888 HG3 :: 1.888 HD2 :: 3.184 HD3 :: 3.184 HE :: 7.156 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 :: 119.507 NE :: 83.966 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.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 K 0.26 Q 0.25 R 0.06 E 0.04 M 0.02 I 0.01 C Shift Assignments>> C :: 178.788 CA :: 58.795 CB :: 28.712 CG :: 33.604 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 :: 7.480 HA :: 4.137 HB2 :: 2.260 HB3 :: 2.260 HG2 :: 2.559 HG3 :: 2.559 HE21 :: 7.438 HE22 :: 6.863 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.365 NE2 :: 111.663 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.41 G 0.09 K 0.03 HN Overlap>> 1.I86 1.I86 C Shift Assignments>> C :: 178.132 CA :: 58.714 CB :: 31.017 CG :: 27.304 CD :: 43.669 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 :: 8.409 HA :: 4.123 HB2 :: 1.978 HB3 :: 1.978 HG2 :: 1.678 HG3 :: 1.678 HD2 :: 3.253 HD3 :: 3.253 HE :: 7.172 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 :: 119.389 NE :: 84.560 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.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.27 C 0.21 W 0.13 K 0.08 E 0.07 Q 0.05 H 0.05 R 0.04 P 0.02 V 0.01 C Shift Assignments>> C :: 174.676 CA :: 60.517 CB :: 28.532 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.022 HA :: 4.286 HB2 :: 2.769 HB3 :: 2.594 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 :: 111.081 Ave N Shift Values>> N :: 120.17(4.64) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 A 0.1 I 0.09 C 0.02 C Shift Assignments>> C :: 176.169 CA :: 56.332 CB :: 16.724 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.423 HA :: 4.258 HB1 :: 1.547 HB2 :: 1.547 HB3 :: 1.547 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.677 Ave N Shift Values>> N :: 123.23(3.54) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.383 CA :: 65.286 CB :: 31.724 CG :: 27.920 CD :: 50.852 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 :: 4.491 HB2 :: 1.828 HB3 :: 2.446 HG2 :: 2.065 HG3 :: 2.065 HD2 :: 3.707 HD3 :: 3.519 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.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.41 C Shift Assignments>> C :: 176.780 CA :: 60.539 CB :: 32.468 CG1 :: 20.894 CG2 :: 18.928 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 :: 7.286 HA :: 4.127 HB :: 1.731 HG11 :: 0.643 HG12 :: 0.643 HG13 :: 0.643 HG21 :: 0.375 HG22 :: 0.375 HG23 :: 0.375 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 :: 108.859 Ave N Shift Values>> N :: 121.14(4.54) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.545 CA :: 61.136 CB :: 62.732 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.789 HA :: 3.805 HB2 :: 3.678 HB3 :: 3.678 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.286 Ave N Shift Values>> N :: 116.28(3.52) 1.Q26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.27 C 0.27 R 0.07 E 0.04 M 0.03 C Shift Assignments>> C :: 175.830 CA :: 57.455 CB :: 28.666 CG :: 33.611 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 :: 8.605 HA :: 4.098 HB2 :: 1.872 HB3 :: 1.774 HG2 :: 2.048 HG3 :: 2.048 HE21 :: 7.379 HE22 :: 6.788 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 :: 119.579 NE2 :: 112.112 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 175.553 CA :: 56.544 CB :: 40.195 CD1 :: 132.160 CD2 :: 132.160 CE1 :: 131.521 CE2 :: 131.521 CZ :: 130.305 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 :: 7.303 HA :: 4.785 HB2 :: 2.990 HB3 :: 3.127 HD1 :: 7.123 HD2 :: 7.123 HE1 :: 7.376 HE2 :: 7.376 HZ :: 7.326 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.464 Ave N Shift Values>> N :: 120.45(4.18) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.01 C Shift Assignments>> C :: 177.373 CA :: 52.925 CB :: 18.739 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.607 HA :: 4.050 HB1 :: 0.883 HB2 :: 0.883 HB3 :: 0.883 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.099 Ave N Shift Values>> N :: 123.23(3.54) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 174.257 CA :: 60.834 CB :: 70.105 CG2 :: 21.709 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 :: 7.874 HA :: 4.534 HB :: 4.295 HG21 :: 1.263 HG22 :: 1.263 HG23 :: 1.263 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 :: 115.725 Ave N Shift Values>> N :: 115.42(4.75) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 A 0.27 C 0.22 G 0.02 R 0.02 HN Overlap>> 1.E52 1.E52 C Shift Assignments>> C :: 177.812 CA :: 54.608 CB :: 42.516 CG :: 26.542 CD1 :: 24.857 CD2 :: 21.082 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 :: 7.904 HA :: 4.245 HB2 :: 1.452 HB3 :: 0.858 HG :: 1.032 HD11 :: 0.133 HD12 :: 0.133 HD13 :: 0.133 HD21 :: -0.172 HD22 :: -0.172 HD23 :: -0.172 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.147 Ave N Shift Values>> N :: 121.86(3.9) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.936 CA :: 59.176 CB :: 64.493 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.169 HA :: 4.320 HB2 :: 4.249 HB3 :: 4.249 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 :: 121.915 Ave N Shift Values>> N :: 116.28(3.52) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.34 C 0.03 I 0.01 C Shift Assignments>> C :: 178.962 CA :: 54.573 CB :: 18.769 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.875 HA :: 4.161 HB1 :: 1.507 HB2 :: 1.507 HB3 :: 1.507 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.432 Ave N Shift Values>> N :: 123.23(3.54) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 C 0.35 G 0.06 K 0.05 C Shift Assignments>> C :: 175.828 CA :: 55.566 CB :: 30.353 CG :: 27.189 CD :: 43.279 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 :: 7.693 HA :: 4.366 HB2 :: 1.981 HB3 :: 1.981 HG2 :: 1.660 HG3 :: 1.660 HD2 :: 3.199 HD3 :: 3.199 HE :: 7.284 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 :: 114.160 NE :: 84.552 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.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> C :: 176.040 CA :: 59.465 CB :: 40.007 CD1 :: 132.106 CD2 :: 132.106 CE1 :: 130.822 CE2 :: 130.822 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 :: 7.459 HA :: 4.202 HB2 :: 2.806 HB3 :: 3.215 HD1 :: 7.041 HD2 :: 7.041 HE1 :: 6.890 HE2 :: 6.890 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 :: 122.867 Ave N Shift Values>> N :: 120.45(4.18) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.2 C 0.09 F 0.08 L 0.05 C Shift Assignments>> C :: 175.061 CA :: 53.258 CB :: 38.936 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 :: 7.404 HA :: 4.705 HB2 :: 2.332 HB3 :: 2.644 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 :: 127.177 Ave N Shift Values>> N :: 120.65(3.86) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.39 K 0.11 G 0.05 C Shift Assignments>> C :: 178.613 CA :: 58.431 CB :: 30.380 CG :: 28.247 CD :: 43.208 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 :: 8.220 HA :: 4.120 HB2 :: 2.056 HB3 :: 2.056 HG2 :: 1.850 HG3 :: 1.850 HD2 :: 3.290 HD3 :: 3.290 HE :: 7.529 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 :: 124.302 NE :: 85.088 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.H37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 C 0.32 H 0.32 C Shift Assignments>> C :: 175.626 CA :: 57.447 CB :: 28.026 CD2 :: 120.147 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 :: 8.495 HA :: 4.654 HB2 :: 3.324 HB3 :: 3.456 HD2 :: 7.306 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 :: 115.311 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.25 R 0.13 G 0.12 A 0.04 C Shift Assignments>> C :: 174.592 CA :: 55.227 CB :: 43.621 CG :: 26.488 CD1 :: 26.736 CD2 :: 22.758 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 :: 7.106 HA :: 4.002 HB2 :: 1.567 HB3 :: 0.905 HG :: 1.113 HD11 :: 0.666 HD12 :: 0.666 HD13 :: 0.666 HD21 :: 0.606 HD22 :: 0.606 HD23 :: 0.606 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.178 Ave N Shift Values>> N :: 121.86(3.9) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 F 0.43 G 0.09 C Shift Assignments>> C :: 175.198 CA :: 56.409 CB :: 42.636 CD1 :: 133.460 CD2 :: 133.460 CE1 :: 131.948 CE2 :: 131.948 CZ :: 128.181 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 :: 7.743 HA :: 4.999 HB2 :: 2.881 HB3 :: 3.441 HD1 :: 7.273 HD2 :: 7.273 HE1 :: 7.209 HE2 :: 7.209 HZ :: 7.369 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 :: 116.921 Ave N Shift Values>> N :: 120.45(4.18) 1.Q40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.27 C 0.25 K 0.21 E 0.17 M 0.07 R 0.01 C Shift Assignments>> C :: 179.204 CA :: 56.720 CB :: 29.673 CG :: 34.505 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 :: 11.230(S) HA :: 4.355 HB2 :: 2.289 HB3 :: 2.143 HG2 :: 2.546 HG3 :: 2.546 HE21 :: 7.584 HE22 :: 6.905 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 :: 124.319 NE2 :: 112.750 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 175.095 CA :: 64.166 CB :: 69.106 CG2 :: 21.530 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 :: 9.098 HA :: 4.128 HB :: 4.308 HG21 :: 1.286 HG22 :: 1.286 HG23 :: 1.286 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 :: 116.857 Ave N Shift Values>> N :: 115.42(4.75) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.34 G 0.07 K 0.05 L 0.05 C Shift Assignments>> C :: 176.166 CA :: 55.939 CB :: 29.293 CG :: 27.007 CD :: 43.434 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 :: 8.132 HA :: 4.347 HB2 :: 1.938 HB3 :: 1.938 HG2 :: 1.661 HG3 :: 1.661 HD2 :: 3.167 HD3 :: 3.167 HE :: 7.415 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 :: 119.617 NE :: 84.610 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.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.09 C 0.01 C Shift Assignments>> C :: 176.446 CA :: 52.099 CB :: 18.971 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.891 HA :: 4.335 HB1 :: 1.432 HB2 :: 1.432 HB3 :: 1.432 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.770 Ave N Shift Values>> N :: 123.23(3.54) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.379 CA :: 61.485 CB :: 69.415 CG2 :: 21.825 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 :: 8.147 HA :: 4.319 HB :: 4.523 HG21 :: 1.186 HG22 :: 1.186 HG23 :: 1.186 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 :: 109.193 Ave N Shift Values>> N :: 115.42(4.75) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 T 0.46 A 0.02 C Shift Assignments>> C :: 174.603 CA :: 58.464 CB :: 72.506 CG2 :: 21.541 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 :: 7.079 HA :: 4.745 HB :: 4.497 HG21 :: 1.108 HG22 :: 1.108 HG23 :: 1.108 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.529 Ave N Shift Values>> N :: 115.42(4.75) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.45 HN Overlap>> 1.A87 1.A87 C Shift Assignments>> C :: 178.917 CA :: 58.095 CB :: 42.026 CG :: 27.379 CD1 :: 23.529 CD2 :: 23.956 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 :: 8.581 HA :: 3.709 HB2 :: 1.464 HB3 :: 1.464 HG :: 1.514 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 HD21 :: 0.747 HD22 :: 0.747 HD23 :: 0.747 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.406 Ave N Shift Values>> N :: 121.86(3.9) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.27 Q 0.21 R 0.11 M 0.03 E 0.01 I 0.01 C Shift Assignments>> C :: 176.883 CA :: 58.890 CB :: 28.416 CG :: 32.993 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 :: 8.550 HA :: 3.716 HB2 :: 2.027 HB3 :: 1.808 HG2 :: 2.313 HG3 :: 2.196 HE21 :: 7.651 HE22 :: 6.760 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.806 NE2 :: 114.539 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.26 C 0.06 L 0.02 V 0.01 I 0.01 C Shift Assignments>> C :: 181.511 CA :: 55.041 CB :: 19.538 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.737 HA :: 4.260 HB1 :: 1.546 HB2 :: 1.546 HB3 :: 1.546 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.120 Ave N Shift Values>> N :: 123.23(3.54) 1.C49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.51 I 0.36 C 0.09 W 0.01 HN Overlap>> 1.E77 1.E77 C Shift Assignments>> C :: 176.652 CA :: 63.721 CB :: 26.861 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.462 HA :: 3.951 HB2 :: 2.753 HB3 :: 1.971 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 :: 118.324 Ave N Shift Values>> N :: 120.17(4.64) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.31 L 0.11 K 0.02 HN Overlap>> 1.A59 1.A59 C Shift Assignments>> C :: 179.303 CA :: 58.343 CB :: 42.100 CG :: 29.283 CD1 :: 26.128 CD2 :: 24.048 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 :: 8.178 HA :: 3.835 HB2 :: 2.015 HB3 :: 1.337 HG :: 1.692 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 HD21 :: 0.945 HD22 :: 0.945 HD23 :: 0.945 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.893 Ave N Shift Values>> N :: 121.86(3.9) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 C 0.19 D 0.13 L 0.11 I 0.09 N 0.04 C Shift Assignments>> C :: 178.671 CA :: 57.274 CB :: 39.648 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 :: 8.551 HA :: 4.460 HB2 :: 2.750 HB3 :: 2.750 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 :: 120.471 Ave N Shift Values>> N :: 120.65(3.86) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.3 E 0.25 K 0.02 HN Overlap>> 1.L30 1.L30 C Shift Assignments>> C :: 178.849 CA :: 59.894 CB :: 29.312 CG :: 37.132 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 :: 7.977 HA :: 4.214 HB2 :: 2.367 HB3 :: 2.506 HG2 :: 2.728 HG3 :: 2.728 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 :: 123.187 Ave N Shift Values>> N :: 120.67(3.48) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.27 I 0.05 C 0.02 C Shift Assignments>> C :: 180.143 CA :: 55.526 CB :: 17.766 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.509 HA :: 4.349 HB1 :: 1.474 HB2 :: 1.474 HB3 :: 1.474 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.739 Ave N Shift Values>> N :: 123.23(3.54) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.1 P 0.07 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 177.212 CA :: 47.713 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.605 HA2 :: 4.049 HA3 :: 3.719 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.546 Ave N Shift Values>> N :: 109.67(3.87) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 C 0.19 D 0.12 L 0.11 I 0.1 N 0.03 K 0.01 C Shift Assignments>> C :: 179.849 CA :: 57.500 CB :: 39.802 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 :: 8.348 HA :: 4.584 HB2 :: 2.762 HB3 :: 3.090 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 :: 126.113 Ave N Shift Values>> N :: 120.65(3.86) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 N 0.23 C 0.21 D 0.12 L 0.05 E 0.05 I 0.04 M 0.02 C Shift Assignments>> C :: 177.510 CA :: 55.777 CB :: 38.420 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 :: 8.580 HA :: 4.823 HB2 :: 2.556 HB3 :: 3.177 HD21 :: 7.788 HD22 :: 8.021 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 :: 121.663 ND2 :: 112.677 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 L 0.12 R 0.07 K 0.03 C Shift Assignments>> C :: 178.132 CA :: 58.152 CB :: 40.968 CG :: 27.394 CD1 :: 23.436 CD2 :: 28.118 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 :: 8.852 HA :: 4.100 HB2 :: 2.189 HB3 :: 1.533 HG :: 1.677 HD11 :: 0.911 HD12 :: 0.911 HD13 :: 0.911 HD21 :: 0.915 HD22 :: 0.915 HD23 :: 0.915 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 :: 124.310 Ave N Shift Values>> N :: 121.86(3.9) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.32 I 0.04 C 0.02 HN Overlap>> 1.L95 1.L95 C Shift Assignments>> C :: 180.785 CA :: 55.365 CB :: 17.930 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.977 HA :: 4.093 HB1 :: 1.581 HB2 :: 1.581 HB3 :: 1.581 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.225 Ave N Shift Values>> N :: 123.23(3.54) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.41 I 0.03 C 0.02 HN Overlap>> 1.L50 1.L50 C Shift Assignments>> C :: 180.881 CA :: 55.085 CB :: 18.219 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.164 HA :: 4.263 HB1 :: 1.674 HB2 :: 1.674 HB3 :: 1.674 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.794 Ave N Shift Values>> N :: 123.23(3.54) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 L 0.31 K 0.29 R 0.01 C Shift Assignments>> C :: 177.576 CA :: 58.156 CB :: 41.129 CG :: 27.520 CD2 :: 25.258 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 :: 8.789 HA :: 4.107 HB2 :: 2.333 HB3 :: 1.512 HG :: 1.611 HD11 :: 0.885 HD12 :: 0.885 HD13 :: 0.885 HD21 :: 1.078 HD22 :: 1.078 HD23 :: 1.078 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.821 Ave N Shift Values>> N :: 121.86(3.9) 1.R61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.37 G 0.08 K 0.03 C Shift Assignments>> C :: 178.734 CA :: 60.506 CB :: 29.906 CG :: 27.757 CD :: 43.319 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 :: 8.702 HA :: 3.828 HB2 :: 1.945 HB3 :: 1.945 HG2 :: 1.613 HG3 :: 1.613 HD2 :: 3.201 HD3 :: 3.201 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 :: 119.402 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.H62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.33 H 0.28 C Shift Assignments>> C :: 176.123 CA :: 58.590 CB :: 28.521 CD2 :: 120.492 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 :: 7.872 HA :: 4.557 HB2 :: 3.358 HB3 :: 3.358 HD2 :: 7.391 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 :: 116.401 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.41 I 0.03 C 0.03 C Shift Assignments>> C :: 179.569 CA :: 55.312 CB :: 18.451 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.281 HA :: 4.272 HB1 :: 1.537 HB2 :: 1.537 HB3 :: 1.537 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.457 Ave N Shift Values>> N :: 123.23(3.54) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 180.284 CA :: 66.470 CB :: 31.942 CG1 :: 24.063 CG2 :: 21.471 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 :: 8.550 HA :: 3.509 HB :: 2.274 HG11 :: 1.069 HG12 :: 1.069 HG13 :: 1.069 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.439 Ave N Shift Values>> N :: 121.14(4.54) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.35 I 0.13 K 0.07 Q 0.04 M 0.02 C Shift Assignments>> C :: 178.540 CA :: 59.327 CB :: 29.613 CG :: 36.102 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 :: 8.248 HA :: 4.017 HB2 :: 2.281 HB3 :: 2.281 HG2 :: 2.514 HG3 :: 2.514 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 :: 121.619 Ave N Shift Values>> N :: 120.67(3.48) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.24 C 0.22 E 0.11 M 0.07 R 0.01 C Shift Assignments>> C :: 174.589 CA :: 55.279 CB :: 29.469 CG :: 34.223 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 :: 7.795 HA :: 4.244 HB2 :: 2.329 HB3 :: 1.752 HG2 :: 2.195 HG3 :: 2.195 HE21 :: 7.414 HE22 :: 6.823 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 :: 113.967 NE2 :: 112.494 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.29 R 0.13 K 0.12 E 0.04 I 0.01 C Shift Assignments>> C :: 175.271 CA :: 56.625 CB :: 26.945 CG :: 34.133 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 :: 7.942 HA :: 3.790 HB2 :: 2.258 HB3 :: 2.258 HG2 :: 2.276 HG3 :: 2.276 HE21 :: 7.672 HE22 :: 6.858 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.023 NE2 :: 112.572 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.29 R 0.21 K 0.14 M 0.02 HN Overlap>> 1.H78 1.H78 C Shift Assignments>> C :: 176.297 CA :: 53.649 CB :: 27.263 CG :: 33.377 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 :: 8.304 HA :: 4.620 HB2 :: 2.006 HB3 :: 2.006 HG2 :: 2.280 HG3 :: 2.280 HE21 :: 7.350 HE22 :: 6.736 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 :: 119.512 NE2 :: 110.992 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 L 0.07 C Shift Assignments>> C :: 176.687 CA :: 59.873 CB :: 38.640 CG :: 27.776 CD1 :: 24.531 CD2 :: 26.619 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 :: 8.034 HA :: 4.098 HB2 :: 1.953 HB3 :: 1.532 HG :: 1.685 HD11 :: 0.925 HD12 :: 0.925 HD13 :: 0.925 HD21 :: 0.845 HD22 :: 0.845 HD23 :: 0.845 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.220 Ave N Shift Values>> N :: 121.86(3.9) 1.P70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.31 C Shift Assignments>> C :: 179.447 CA :: 66.093 CB :: 30.754 CG :: 28.479 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 :: 4.396 HB2 :: 2.393 HB3 :: 1.887 HG2 :: 2.207 HG3 :: 2.207 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.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.23 K 0.23 E 0.11 I 0.04 R 0.03 M 0.01 C Shift Assignments>> C :: 177.921 CA :: 59.078 CB :: 28.769 CG :: 34.295 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 :: 4.317 HB2 :: 2.324 HB3 :: 2.139 HG2 :: 2.534 HG3 :: 2.534 HE21 :: 7.429 HE22 :: 6.702 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.575 NE2 :: 110.934 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 176.812 CA :: 66.394 CB :: 32.122 CG1 :: 23.193 CG2 :: 21.007 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 :: 8.214 HA :: 3.465 HB :: 2.288 HG11 :: 0.936 HG12 :: 0.936 HG13 :: 0.936 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 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 :: 119.720 Ave N Shift Values>> N :: 121.14(4.54) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.4 I 0.03 C 0.03 C Shift Assignments>> C :: 180.480 CA :: 55.303 CB :: 18.383 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.730 HA :: 4.035 HB1 :: 1.499 HB2 :: 1.499 HB3 :: 1.499 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.957 Ave N Shift Values>> N :: 123.23(3.54) 1.W74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.41 C Shift Assignments>> C :: 179.018 CA :: 61.316 CB :: 29.656 CD1 :: 127.796 CE3 :: 120.968 CZ2 :: 114.200 CZ3 :: 121.863 CH2 :: 124.159 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 :: 7.906 HA :: 4.311 HB2 :: 3.282 HB3 :: 3.407 HD1 :: 7.265 HE1 :: 10.087 HE3 :: 7.418 HZ2 :: 7.097 HZ3 :: 6.931 HH2 :: 6.687 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 :: 117.792 NE1 :: 129.561 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.35 G 0.1 R 0.09 C Shift Assignments>> C :: 178.977 CA :: 58.161 CB :: 43.518 CG :: 27.719 CD1 :: 23.329 CD2 :: 25.033 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 :: 8.821 HA :: 3.781 HB2 :: 2.037 HB3 :: 1.306 HG :: 1.912 HD11 :: 1.007 HD12 :: 1.007 HD13 :: 1.007 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.355 Ave N Shift Values>> N :: 121.86(3.9) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.31 I 0.06 C 0.04 V 0.01 C Shift Assignments>> C :: 180.095 CA :: 55.928 CB :: 18.576 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.813 HA :: 3.898 HB1 :: 1.480 HB2 :: 1.480 HB3 :: 1.480 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.534 Ave N Shift Values>> N :: 123.23(3.54) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 I 0.11 K 0.08 Q 0.06 M 0.02 HN Overlap>> 1.C49 1.C49 C Shift Assignments>> C :: 178.914 CA :: 59.203 CB :: 29.623 CG :: 35.926 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 :: 7.523 HA :: 3.975 HB2 :: 2.051 HB3 :: 2.051 HG2 :: 2.395 HG3 :: 2.395 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 :: 118.262 Ave N Shift Values>> N :: 120.67(3.48) 1.H78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 W 0.32 H 0.29 HN Overlap>> 1.Q68 1.Q68 C Shift Assignments>> C :: 176.533 CA :: 58.658 CB :: 28.570 CD2 :: 118.875 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 :: 8.251 HA :: 4.094 HB2 :: 2.575 HB3 :: 2.057 HD2 :: 6.748 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 :: 119.448 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 L 0.33 R 0.2 K 0.03 C Shift Assignments>> C :: 178.262 CA :: 57.315 CB :: 42.117 CG :: 27.500 CD1 :: 27.422 CD2 :: 24.510 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 :: 8.890 HA :: 4.195 HB2 :: 1.915 HB3 :: 1.443 HG :: 1.542 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 HD21 :: 1.166 HD22 :: 1.166 HD23 :: 1.166 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 :: 119.806 Ave N Shift Values>> N :: 121.86(3.9) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.26 I 0.07 C 0.03 C Shift Assignments>> C :: 180.168 CA :: 55.969 CB :: 18.243 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.039 HA :: 4.105 HB1 :: 1.490 HB2 :: 1.490 HB3 :: 1.490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.264 Ave N Shift Values>> N :: 123.23(3.54) 1.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.42 I 0.03 C 0.02 C Shift Assignments>> C :: 181.122 CA :: 55.018 CB :: 18.195 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.525 HA :: 4.127 HB1 :: 1.438 HB2 :: 1.438 HB3 :: 1.438 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.795 Ave N Shift Values>> N :: 123.23(3.54) 1.Q82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 K 0.19 Q 0.17 E 0.11 I 0.07 R 0.01 M 0.01 C Shift Assignments>> C :: 178.696 CA :: 60.152 CB :: 29.019 CG :: 34.429 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 :: 8.105 HA :: 3.632 HB2 :: 2.540 HB3 :: 1.460 HG2 :: 1.945 HG3 :: 0.703(S) HE21 :: 6.544 HE22 :: 5.649 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 :: 119.376 NE2 :: 109.141 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 L 0.43 C Shift Assignments>> C :: 179.228 CA :: 58.198 CB :: 40.429 CG :: 26.632 CD1 :: 26.221 CD2 :: 22.273 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 :: 8.724 HA :: 3.912 HB2 :: 1.929 HB3 :: 1.321 HG :: 1.164 HD11 :: 0.934 HD12 :: 0.934 HD13 :: 0.934 HD21 :: 0.837 HD22 :: 0.837 HD23 :: 0.837 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.546 Ave N Shift Values>> N :: 121.86(3.9) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 I 0.12 K 0.09 Q 0.06 M 0.02 HN Overlap>> 1.L5 1.L5 C Shift Assignments>> C :: 178.702 CA :: 59.213 CB :: 29.455 CG :: 35.869 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 :: 8.043 HA :: 4.096 HB2 :: 2.075 HB3 :: 2.075 HG2 :: 2.317 HG3 :: 2.317 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 :: 119.717 Ave N Shift Values>> N :: 120.67(3.48) 1.A85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.45 C 0.03 I 0.03 C Shift Assignments>> C :: 181.255 CA :: 55.234 CB :: 18.614 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.898 HA :: 4.119 HB1 :: 1.535 HB2 :: 1.535 HB3 :: 1.535 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.618 Ave N Shift Values>> N :: 123.23(3.54) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 HN Overlap>> 1.R20 1.R20 C Shift Assignments>> C :: 176.842 CA :: 65.954 CB :: 38.243 CG1 :: 29.660 CG2 :: 18.445 CD1 :: 13.666 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 :: 8.399 HA :: 3.675 HB :: 1.949 HG12 :: 2.306 HG13 :: 1.536 HG21 :: 0.879 HG22 :: 0.879 HG23 :: 0.879 HD11 :: 0.812 HD12 :: 0.812 HD13 :: 0.812 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.414 Ave N Shift Values>> N :: 121.46(4.28) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.33 I 0.05 C 0.03 HN Overlap>> 1.L46 1.L46 C Shift Assignments>> C :: 180.634 CA :: 55.657 CB :: 18.354 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.596 HA :: 3.875 HB1 :: 1.535 HB2 :: 1.535 HB3 :: 1.535 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.299 Ave N Shift Values>> N :: 123.23(3.54) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.42 K 0.08 G 0.02 C Shift Assignments>> C :: 179.488 CA :: 59.520 CB :: 30.368 CG :: 27.396 CD :: 42.798 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 :: 8.128 HA :: 4.098 HB2 :: 1.947 HB3 :: 1.947 HG2 :: 1.677 HG3 :: 1.677 HD2 :: 3.190 HD3 :: 3.190 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.137 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.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.22 Q 0.2 K 0.16 M 0.05 I 0.02 C Shift Assignments>> C :: 178.420 CA :: 58.295 CB :: 29.791 CG :: 34.826 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 :: 7.758 HA :: 4.294 HB2 :: 2.294 HB3 :: 2.294 HG2 :: 2.438 HG3 :: 2.438 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.849 Ave N Shift Values>> N :: 120.67(3.48) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.41 C 0.02 I 0.01 C Shift Assignments>> C :: 179.810 CA :: 54.520 CB :: 18.311 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.672 HA :: 3.782 HB1 :: 1.320 HB2 :: 1.320 HB3 :: 1.320 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.373 Ave N Shift Values>> N :: 123.23(3.54) 1.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.857 CA :: 61.130 CB :: 63.083 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.836 HA :: 4.258 HB2 :: 4.025 HB3 :: 4.025 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 :: 112.916 Ave N Shift Values>> N :: 116.28(3.52) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.27 C 0.02 C Shift Assignments>> C :: 178.627 CA :: 53.810 CB :: 18.614 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.651 HA :: 4.230 HB1 :: 1.367 HB2 :: 1.367 HB3 :: 1.367 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.047 Ave N Shift Values>> N :: 123.23(3.54) 1.W93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 176.186 CA :: 57.851 CB :: 29.748 CD1 :: 127.183 CE3 :: 120.900 CZ2 :: 114.781 CZ3 :: 122.055 CH2 :: 124.583 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 :: 7.628 HA :: 4.581 HB2 :: 3.218 HB3 :: 3.456 HD1 :: 7.319 HE1 :: 10.512 HE3 :: 7.704 HZ2 :: 7.503 HZ3 :: 7.173 HH2 :: 7.239 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 :: 118.194 NE1 :: 129.666 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.249 CA :: 58.948 CB :: 63.167 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.007 HA :: 4.331 HB2 :: 3.968 HB3 :: 3.968 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 :: 114.523 Ave N Shift Values>> N :: 116.28(3.52) 1.L95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.27 R 0.03 A 0.02 G 0.01 HN Overlap>> 1.A58 1.A58 C Shift Assignments>> C :: 177.195 CA :: 54.946 CB :: 42.115 CG :: 27.100 CD1 :: 23.388 CD2 :: 24.963 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 :: 7.950 HA :: 4.433 HB2 :: 1.693 HB3 :: 1.693 HG :: 1.724 HD11 :: 0.981 HD12 :: 0.981 HD13 :: 0.981 HD21 :: 0.940 HD22 :: 0.940 HD23 :: 0.940 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.161 Ave N Shift Values>> N :: 121.86(3.9) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.38 K 0.07 G 0.05 C Shift Assignments>> C :: 175.415 CA :: 56.195 CB :: 30.973 CG :: 27.204 CD :: 43.246 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 :: 8.283 HA :: 4.312 HB2 :: 1.790 HB3 :: 1.790 HG2 :: 1.900 HG3 :: 1.900 HD2 :: 3.295 HD3 :: 3.295 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 :: 122.604 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.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.36 M 0.14 Q 0.04 I 0.02 K 0.01 C Shift Assignments>> C :: 180.862 CA :: 58.093 CB :: 31.166 CG :: 36.091 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 :: 8.070 HA :: 4.092 HB2 :: 1.894 HB3 :: 1.894 HG2 :: 2.233 HG3 :: 2.233 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 :: 127.110 Ave N Shift Values>> N :: 120.67(3.48) 1.W98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.86 H 0.13 C Shift Assignments>> CD1 :: 127.624 CE3 :: 120.959 CZ2 :: 114.728 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>> HD1 :: 7.413 HE1 :: 10.282 HE3 :: 7.652 HZ2 :: 7.377 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 :: 129.516 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) ########################################################################### Overall Results: #Consistent: 96 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 97 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 98 #Suspicious: 0 C Shift Results: #Consistent: 423 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 694 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 112 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q40 H = 11.230(S), Expected = 8.22, Std = 0.5900, ChiSquare = 3.3663e-07 1.Q82 HG3 = 0.703(S), Expected = 2.29, Std = 0.2900, ChiSquare = 4.4395e-08