Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.89 M 0.09 C Shift Assignments>> CA :: 52.465 CB :: 19.330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.373 HB1 :: 1.395 HB2 :: 1.395 HB3 :: 1.395 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 A 0.19 C Shift Assignments>> C :: 176.929 CA :: 55.587 CB :: 32.650 CG :: 32.011 CE :: 16.882 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.515 HA :: 4.476 HB2 :: 2.113 HB3 :: 2.037 HG2 :: 2.628 HG3 :: 2.569 HE1 :: 2.102 HE2 :: 2.102 HE3 :: 2.102 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.702 Ave N Shift Values>> N :: 120.09(3.57) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.11 R 0.02 F 0.01 C Shift Assignments>> C :: 174.358 CA :: 45.171 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.372 HA2 :: 3.972 HA3 :: 3.971 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.162 Ave N Shift Values>> N :: 109.67(3.87) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.68 M 0.16 K 0.1 I 0.04 HN Overlap>> 1.V64 1.V64 C Shift Assignments>> C :: 177.188 CA :: 56.528 CB :: 30.227 CG :: 36.270 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 :: 8.303 HA :: 4.372 HB2 :: 2.090 HB3 :: 1.964 HG2 :: 2.263 HG3 :: 2.263 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.804 Ave N Shift Values>> N :: 120.67(3.48) 1.T6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.397 CA :: 62.091 CB :: 69.658 CG2 :: 21.469 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 :: 8.251 HA :: 4.335 HB :: 4.253 HG21 :: 1.223 HG22 :: 1.223 HG23 :: 1.223 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 :: 114.703 Ave N Shift Values>> N :: 115.42(4.75) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 C Shift Assignments>> C :: 174.002 CA :: 45.296 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.423 HA2 :: 3.954 HA3 :: 3.954 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.226 Ave N Shift Values>> N :: 109.67(3.87) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.15 HN Overlap>> 1.K13 1.K13 C Shift Assignments>> C :: 176.541 CA :: 56.030 CB :: 33.109 CG :: 24.589 CD :: 29.008 CE :: 41.894 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 :: 8.051 HA :: 4.354 HB2 :: 1.810 HB3 :: 1.723 HG2 :: 1.414 HG3 :: 1.357 HD2 :: 1.687 HD3 :: 1.687 HE2 :: 2.994 HE3 :: 2.994 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.878 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.807 CA :: 60.821 CB :: 38.945 CG1 :: 27.235 CG2 :: 17.530 CD1 :: 12.964 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 :: 8.150 HA :: 4.172 HB :: 1.833 HG12 :: 1.448 HG13 :: 1.164 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.189 Ave N Shift Values>> N :: 121.46(4.28) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.23 N 0.13 K 0.1 F 0.09 Y 0.06 R 0.01 C Shift Assignments>> C :: 176.491 CA :: 53.935 CB :: 41.149 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 :: 8.386 HA :: 4.660 HB2 :: 2.728 HB3 :: 2.555 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.915 Ave N Shift Values>> N :: 120.65(3.86) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.V14 1.V14 C Shift Assignments>> C :: 176.190 CA :: 61.594 CB :: 38.788 CG1 :: 27.300 CG2 :: 17.711 CD1 :: 13.309 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 :: 8.058 HA :: 4.096 HB :: 1.890 HG12 :: 1.442 HG13 :: 1.197 HG21 :: 0.913 HG22 :: 0.913 HG23 :: 0.913 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 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 :: 121.024 Ave N Shift Values>> N :: 121.46(4.28) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.23 F 0.12 K 0.11 Y 0.09 N 0.09 R 0.01 C Shift Assignments>> C :: 176.573 CA :: 54.869 CB :: 41.034 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 :: 8.309 HA :: 4.558 HB2 :: 2.669 HB3 :: 2.632 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.491 Ave N Shift Values>> N :: 120.65(3.86) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.21 G 0.01 HN Overlap>> 1.K8 1.K8 C Shift Assignments>> C :: 176.915 CA :: 56.361 CB :: 32.851 CG :: 24.731 CD :: 28.963 CE :: 42.044 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.975 HA :: 4.301 HB2 :: 1.867 HB3 :: 1.772 HG2 :: 1.446 HG3 :: 1.367 HD2 :: 1.673 HD3 :: 1.673 HE2 :: 2.999 HE3 :: 2.999 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.852 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I11 1.I11 C Shift Assignments>> C :: 176.655 CA :: 62.836 CB :: 32.597 CG1 :: 20.911 CG2 :: 21.194 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 :: 8.018 HA :: 4.023 HB :: 2.080 HG11 :: 0.942 HG12 :: 0.942 HG13 :: 0.942 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.072 Ave N Shift Values>> N :: 121.14(4.54) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.67 M 0.13 K 0.12 I 0.05 C Shift Assignments>> C :: 177.270 CA :: 56.880 CB :: 30.082 CG :: 36.205 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 :: 8.492 HA :: 4.263 HB2 :: 2.060 HB3 :: 1.964 HG2 :: 2.262 HG3 :: 2.260 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 :: 123.976 Ave N Shift Values>> N :: 120.67(3.48) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.385 CA :: 45.436 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.345 HA2 :: 3.961 HA3 :: 3.961 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.652 Ave N Shift Values>> N :: 109.67(3.87) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 K 0.1 G 0.09 HN Overlap>> 1.R23 1.R23 C Shift Assignments>> C :: 176.395 CA :: 55.943 CB :: 30.855 CG :: 27.132 CD :: 43.285 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 :: 8.118 HA :: 4.415 HB2 :: 1.900 HB3 :: 1.783 HG2 :: 1.654 HG3 :: 1.612 HD2 :: 3.197 HD3 :: 3.197 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 :: 119.989 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.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.I50 1.I50 C Shift Assignments>> C :: 173.004 CA :: 59.914 CB :: 69.631 CG2 :: 21.513 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 :: 8.117 HA :: 4.619 HB :: 4.133 HG21 :: 1.255 HG22 :: 1.255 HG23 :: 1.255 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.446 Ave N Shift Values>> N :: 115.42(4.75) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.301 CA :: 63.146 CB :: 32.195 CG :: 27.591 CD :: 51.089 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 :: 4.451 HB2 :: 2.306 HB3 :: 1.898 HG2 :: 2.035 HG3 :: 1.954 HD2 :: 3.908 HD3 :: 3.718 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.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.78 R 0.2 C Shift Assignments>> C :: 177.120 CA :: 57.144 CB :: 32.942 CG :: 24.697 CD :: 28.872 CE :: 41.993 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 :: 8.573 HA :: 4.216 HB2 :: 1.854 HB3 :: 1.810 HG2 :: 1.474 HG3 :: 1.360 HD2 :: 1.676 HD3 :: 1.676 HE2 :: 2.991 HE3 :: 2.991 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.117 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.231 CA :: 58.385 CB :: 63.837 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.322 HA :: 4.432 HB2 :: 3.975 HB3 :: 3.881 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.315 Ave N Shift Values>> N :: 116.28(3.52) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 K 0.15 M 0.11 I 0.07 C Shift Assignments>> C :: 177.202 CA :: 57.249 CB :: 29.917 CG :: 36.105 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 :: 8.344 HA :: 4.203 HB2 :: 2.056 HB3 :: 1.935 HG2 :: 2.224 HG3 :: 2.224 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 :: 122.599 Ave N Shift Values>> N :: 120.67(3.48) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.79 G 0.1 K 0.08 HN Overlap>> 1.R17 1.R17 C Shift Assignments>> C :: 177.412 CA :: 57.630 CB :: 30.556 CG :: 27.193 CD :: 43.349 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 :: 8.107 HA :: 4.155 HB2 :: 1.796 HB3 :: 1.796 HG2 :: 1.716 HG3 :: 1.624 HD2 :: 3.181 HD3 :: 3.181 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.031 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.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 F 0.13 K 0.13 Y 0.1 N 0.07 R 0.01 C Shift Assignments>> C :: 177.422 CA :: 55.169 CB :: 41.067 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 :: 8.182 HA :: 4.511 HB2 :: 2.729 HB3 :: 2.683 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 :: 120.167 Ave N Shift Values>> N :: 120.65(3.86) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.22 C Shift Assignments>> C :: 177.995 CA :: 59.552 CB :: 32.569 CG :: 26.073 CD :: 29.226 CE :: 41.728 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 :: 8.108 HA :: 3.698 HB2 :: 1.642 HB3 :: 1.546 HG2 :: 1.499 HG3 :: 1.180 HD2 :: 1.499 HD3 :: 1.450 HE2 :: 2.925 HE3 :: 2.926 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.753 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 F 0.49 C Shift Assignments>> C :: 177.653 CA :: 61.510 CB :: 38.308 CD1 :: 131.701 CD2 :: 131.700 CE1 :: 131.969 CE2 :: 131.969 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 :: 7.768 HA :: 4.127 HB2 :: 3.347 HB3 :: 3.068 HD1 :: 7.298 HD2 :: 7.298 HE1 :: 7.435 HE2 :: 7.435 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 :: 115.926 Ave N Shift Values>> N :: 120.45(4.18) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.13 G 0.07 L 0.02 C Shift Assignments>> C :: 178.528 CA :: 59.194 CB :: 29.513 CG :: 27.033 CD :: 43.009 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 :: 7.661 HA :: 3.980 HB2 :: 1.953 HB3 :: 1.916 HG2 :: 1.705 HG3 :: 1.567 HD2 :: 3.254 HD3 :: 3.183 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 :: 118.855 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.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 A 0.16 C Shift Assignments>> C :: 179.909 CA :: 57.460 CB :: 41.083 CG :: 25.550 CD1 :: 21.270 CD2 :: 24.099 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 :: 7.830 HA :: 3.879 HB2 :: 1.475 HB3 :: 0.930 HG :: 1.579 HD11 :: 0.431 HD12 :: 0.431 HD13 :: 0.431 HD21 :: 0.081 HD22 :: 0.081 HD23 :: 0.081 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.982 Ave N Shift Values>> N :: 121.86(3.9) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 R 0.31 K 0.08 C Shift Assignments>> C :: 178.419 CA :: 58.029 CB :: 41.552 CG :: 27.508 CD1 :: 27.810 CD2 :: 23.798 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 :: 7.593 HA :: 4.387 HB2 :: 2.005 HB3 :: 1.496 HG :: 1.563 HD11 :: 0.868 HD12 :: 0.868 HD13 :: 0.868 HD21 :: 0.950 HD22 :: 0.950 HD23 :: 0.950 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 :: 119.682 Ave N Shift Values>> N :: 121.86(3.9) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.05 HN Overlap>> 1.I70 1.I70 C Shift Assignments>> C :: 180.093 CA :: 58.841 CB :: 41.660 CG :: 27.131 CD1 :: 25.376 CD2 :: 24.237 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 :: 8.310 HA :: 3.928 HB2 :: 2.016 HB3 :: 1.501 HG :: 1.828 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.840 HD22 :: 0.840 HD23 :: 0.840 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 :: 119.662 Ave N Shift Values>> N :: 121.86(3.9) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 E 0.44 K 0.04 C Shift Assignments>> C :: 179.472 CA :: 59.511 CB :: 29.147 CG :: 37.207 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 :: 8.485 HA :: 3.950 HB2 :: 2.118 HB3 :: 2.117 HG2 :: 2.540 HG3 :: 2.309 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 :: 117.769 Ave N Shift Values>> N :: 120.67(3.48) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 R 0.32 G 0.08 C Shift Assignments>> C :: 178.925 CA :: 57.661 CB :: 43.023 CG :: 26.835 CD1 :: 25.682 CD2 :: 26.735 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 :: 7.862 HA :: 4.275 HB2 :: 2.086 HB3 :: 1.868 HG :: 1.892 HD11 :: 1.019 HD12 :: 1.019 HD13 :: 1.019 HD21 :: 0.972 HD22 :: 0.972 HD23 :: 0.972 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 :: 122.990 Ave N Shift Values>> N :: 121.86(3.9) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.831 CA :: 66.719 CB :: 38.015 CG1 :: 30.672 CG2 :: 17.950 CD1 :: 14.854 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 :: 8.472 HA :: 3.493 HB :: 1.990 HG12 :: 2.040 HG13 :: 0.758 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.879 Ave N Shift Values>> N :: 121.46(4.28) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.22 C Shift Assignments>> C :: 178.337 CA :: 58.953 CB :: 32.076 CG :: 24.688 CD :: 28.601 CE :: 41.836 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.726 HA :: 3.951 HB2 :: 1.970 HB3 :: 1.836 HG2 :: 1.522 HG3 :: 1.523 HD2 :: 1.757 HD3 :: 1.675 HE2 :: 2.974 HE3 :: 2.973 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.356 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 K 0.25 I 0.13 M 0.05 C Shift Assignments>> C :: 179.021 CA :: 59.069 CB :: 29.531 CG :: 35.342 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 :: 7.975 HA :: 3.965 HB2 :: 2.184 HB3 :: 2.184 HG2 :: 2.219 HG3 :: 1.663 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 :: 119.285 Ave N Shift Values>> N :: 120.67(3.48) 1.Y36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.228 CA :: 61.855 CB :: 39.180 CD1 :: 132.425 CD2 :: 132.425 CE1 :: 118.369 CE2 :: 118.369 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 :: 8.081 HA :: 4.571 HB2 :: 3.230 HB3 :: 2.956 HD1 :: 7.334 HD2 :: 7.334 HE1 :: 6.712 HE2 :: 6.712 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.431 Ave N Shift Values>> N :: 120.52(4.2) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.38 M 0.03 K 0.03 HN Overlap>> 1.K72 1.K72 C Shift Assignments>> C :: 179.718 CA :: 60.058 CB :: 30.120 CG :: 36.940 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 :: 8.808 HA :: 4.015 HB2 :: 2.151 HB3 :: 1.991 HG2 :: 2.651 HG3 :: 1.999 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 :: 121.223 Ave N Shift Values>> N :: 120.67(3.48) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 D 0.16 L 0.14 I 0.04 K 0.04 N 0.04 C Shift Assignments>> C :: 178.419 CA :: 56.902 CB :: 40.285 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 :: 7.968 HA :: 4.535 HB2 :: 2.789 HB3 :: 2.738 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.814 Ave N Shift Values>> N :: 120.65(3.86) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.22 D 0.17 R 0.12 F 0.11 Y 0.07 N 0.01 C Shift Assignments>> C :: 177.366 CA :: 55.845 CB :: 42.107 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 :: 7.846 HA :: 4.651 HB2 :: 2.700 HB3 :: 2.406 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.046 Ave N Shift Values>> N :: 120.65(3.86) 1.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.846 CA :: 58.228 CB :: 37.833 CD1 :: 133.846 CD2 :: 133.846 CE1 :: 118.168 CE2 :: 118.168 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 :: 8.040 HA :: 4.725 HB2 :: 3.551 HB3 :: 3.486 HD1 :: 7.540 HD2 :: 7.540 HE1 :: 6.906 HE2 :: 6.906 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 117.546 Ave N Shift Values>> N :: 120.52(4.2) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.05 A 0.01 C Shift Assignments>> C :: 176.450 CA :: 47.145 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.099 HA2 :: 3.999 HA3 :: 3.937 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.026 Ave N Shift Values>> N :: 109.67(3.87) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.09 C Shift Assignments>> C :: 172.908 CA :: 45.407 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.028 HA2 :: 4.344 HA3 :: 3.752 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.855 Ave N Shift Values>> N :: 109.67(3.87) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 R 0.36 G 0.2 C Shift Assignments>> C :: 172.197 CA :: 54.130 CB :: 32.639 CG :: 25.148 CD :: 43.363 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.480 HA :: 4.767 HB2 :: 1.757 HB3 :: 1.522 HG2 :: 1.454 HG3 :: 1.311 HD2 :: 2.641 HD3 :: 2.368 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 :: 115.468 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.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 A 0.21 L 0.1 C Shift Assignments>> C :: 174.481 CA :: 48.320 CB :: 22.493 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.372 HA :: 5.151 HB1 :: 1.426 HB2 :: 1.426 HB3 :: 1.426 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.332 Ave N Shift Values>> N :: 123.23(3.54) 1.P45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.937 CA :: 61.592 CB :: 31.081 CG :: 27.715 CD :: 50.981 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 :: 4.408 HB2 :: 1.888 HB3 :: 1.798 HG2 :: 1.549 HG3 :: 1.493 HD2 :: 3.571 HD3 :: 2.992 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.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.616 CA :: 66.384 CB :: 67.569 CG2 :: 22.985 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 :: 8.591 HA :: 3.405 HB :: 3.735 HG21 :: 1.010 HG22 :: 1.010 HG23 :: 1.010 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 :: 123.626 Ave N Shift Values>> N :: 115.42(4.75) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 Y 0.17 M 0.13 F 0.1 N 0.05 K 0.05 I 0.04 C Shift Assignments>> C :: 177.653 CA :: 56.656 CB :: 36.529 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 :: 8.564 HA :: 4.157 HB2 :: 2.710 HB3 :: 2.653 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 :: 117.166 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.038 CA :: 62.812 CB :: 37.643 CG1 :: 28.194 CG2 :: 16.664 CD1 :: 12.060 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 6.798 HA :: 3.809 HB :: 1.505 HG12 :: 1.317 HG13 :: 1.069 HG21 :: 0.435 HG22 :: 0.435 HG23 :: 0.435 HD11 :: 0.679 HD12 :: 0.679 HD13 :: 0.679 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.138 Ave N Shift Values>> N :: 121.46(4.28) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 R 0.12 C Shift Assignments>> C :: 178.829 CA :: 57.655 CB :: 41.443 CG :: 25.872 CD1 :: 27.298 CD2 :: 23.626 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 :: 7.246 HA :: 3.726 HB2 :: 1.832 HB3 :: 1.211 HG :: 1.673 HD11 :: 0.725 HD12 :: 0.725 HD13 :: 0.725 HD21 :: 0.637 HD22 :: 0.637 HD23 :: 0.637 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 :: 119.593 Ave N Shift Values>> N :: 121.86(3.9) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.T18 1.T18 C Shift Assignments>> C :: 178.542 CA :: 66.269 CB :: 38.197 CG1 :: 30.146 CG2 :: 17.407 CD1 :: 13.547 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 :: 8.156 HA :: 3.422 HB :: 1.816 HG12 :: 1.701 HG13 :: 0.864 HG21 :: 0.888 HG22 :: 0.888 HG23 :: 0.888 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.405 Ave N Shift Values>> N :: 121.46(4.28) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.833 CA :: 66.511 CB :: 68.523 CG2 :: 21.893 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 :: 7.527 HA :: 3.954 HB :: 4.207 HG21 :: 1.251 HG22 :: 1.251 HG23 :: 1.251 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 :: 115.137 Ave N Shift Values>> N :: 115.42(4.75) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 I 0.16 K 0.09 M 0.08 HN Overlap>> 1.R82 1.R82 C Shift Assignments>> C :: 179.171 CA :: 59.265 CB :: 30.192 CG :: 36.140 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 :: 8.573 HA :: 4.133 HB2 :: 2.112 HB3 :: 1.933 HG2 :: 2.458 HG3 :: 2.416 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.956 Ave N Shift Values>> N :: 120.67(3.48) 1.M53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.93 A 0.04 I 0.01 C Shift Assignments>> C :: 179.527 CA :: 57.407 CB :: 30.912 CG :: 33.420 CE :: 16.262 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.441 HA :: 4.386 HB2 :: 2.280 HB3 :: 1.853 HG2 :: 2.815 HG3 :: 2.429 HE1 :: 1.855 HE2 :: 1.855 HE3 :: 1.855 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.646 Ave N Shift Values>> N :: 120.09(3.57) 1.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 A 0.01 C Shift Assignments>> C :: 178.775 CA :: 58.491 CB :: 32.234 CG :: 31.765 CE :: 16.949 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.593 HA :: 4.314 HB2 :: 2.293 HB3 :: 2.293 HG2 :: 2.769 HG3 :: 2.526 HE1 :: 2.062 HE2 :: 2.062 HE3 :: 2.062 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.707 Ave N Shift Values>> N :: 120.09(3.57) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 K 0.2 Y 0.19 L 0.16 D 0.11 I 0.03 R 0.02 N 0.01 C Shift Assignments>> C :: 178.654 CA :: 57.504 CB :: 41.242 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 :: 8.642 HA :: 4.299 HB2 :: 2.611 HB3 :: 2.555 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 :: 120.363 Ave N Shift Values>> N :: 120.65(3.86) 1.R56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.71 G 0.24 K 0.02 L 0.01 C Shift Assignments>> C :: 179.130 CA :: 58.457 CB :: 29.768 CG :: 27.066 CD :: 43.910 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 :: 8.737 HA :: 3.960 HB2 :: 0.843(S) HB3 :: 0.633(S) HG2 :: 1.760 HG3 :: 1.348 HD2 :: 3.055 HD3 :: 2.486 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 :: 114.195 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.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.397 CA :: 55.745 CB :: 39.947 CD1 :: 133.830 CD2 :: 133.830 CE1 :: 118.632 CE2 :: 118.632 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 :: 6.667 HA :: 5.115 HB2 :: 3.387 HB3 :: 2.962 HD1 :: 7.325 HD2 :: 7.325 HE1 :: 6.734 HE2 :: 6.734 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 :: 112.533 Ave N Shift Values>> N :: 120.52(4.2) 1.N58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 Y 0.15 F 0.12 E 0.09 D 0.08 M 0.04 L 0.02 I 0.01 C Shift Assignments>> C :: 174.604 CA :: 54.437 CB :: 37.706 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 :: 8.193 HA :: 4.820 HB2 :: 3.215 HB3 :: 2.698 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 :: 117.751 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.754 CA :: 61.170 CB :: 32.869 CG1 :: 22.569 CG2 :: 21.417 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 :: 7.367 HA :: 4.233 HB :: 1.729 HG11 :: 0.919 HG12 :: 0.919 HG13 :: 0.919 HG21 :: 0.801 HG22 :: 0.801 HG23 :: 0.801 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.543 Ave N Shift Values>> N :: 121.14(4.54) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.743 CA :: 58.069 CB :: 64.864 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.250 HA :: 4.360 HB2 :: 4.291 HB3 :: 3.998 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 :: 121.191 Ave N Shift Values>> N :: 116.28(3.52) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 I 0.33 K 0.12 M 0.02 C Shift Assignments>> C :: 178.159 CA :: 60.562 CB :: 29.647 CG :: 35.729 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 :: 8.679 HA :: 3.846 HB2 :: 2.133 HB3 :: 1.955 HG2 :: 2.187 HG3 :: 2.187 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 :: 123.131 Ave N Shift Values>> N :: 120.67(3.48) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.34 K 0.12 C Shift Assignments>> C :: 179.595 CA :: 59.171 CB :: 28.657 CG :: 36.274 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 :: 8.838 HA :: 4.114 HB2 :: 2.038 HB3 :: 1.967 HG2 :: 2.316 HG3 :: 2.280 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 :: 117.596 Ave N Shift Values>> N :: 120.67(3.48) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.46 HN Overlap>> 1.E66 1.E66 C Shift Assignments>> C :: 178.993 CA :: 57.260 CB :: 30.738 CG :: 24.724 CD :: 27.497 CE :: 41.704 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.517 HA :: 4.237 HB2 :: 1.915 HB3 :: 1.918 HG2 :: 1.474 HG3 :: 1.285 HD2 :: 1.707 HD3 :: 1.705 HE2 :: 2.927 HE3 :: 2.820 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.963 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.E5 1.E5 C Shift Assignments>> C :: 177.954 CA :: 67.592 CB :: 30.787 CG1 :: 25.212 CG2 :: 23.363 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 :: 8.382 HA :: 3.387 HB :: 2.217 HG11 :: 0.988 HG12 :: 0.988 HG13 :: 0.988 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.825 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>> E 0.46 I 0.43 K 0.09 M 0.01 HN Overlap>> 1.I68 1.I68 C Shift Assignments>> C :: 179.540 CA :: 60.124 CB :: 29.119 CG :: 36.336 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 :: 8.385 HA :: 3.932 HB2 :: 2.129 HB3 :: 2.010 HG2 :: 2.457 HG3 :: 2.128 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 :: 117.568 Ave N Shift Values>> N :: 120.67(3.48) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.21 K 0.12 M 0.04 HN Overlap>> 1.K63 1.K63 C Shift Assignments>> C :: 177.804 CA :: 59.419 CB :: 29.787 CG :: 36.015 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 :: 7.505 HA :: 4.111 HB2 :: 2.295 HB3 :: 2.161 HG2 :: 2.369 HG3 :: 2.211 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 :: 121.061 Ave N Shift Values>> N :: 120.67(3.48) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.18 G 0.04 A 0.01 C Shift Assignments>> C :: 179.445 CA :: 58.195 CB :: 42.310 CG :: 25.844 CD1 :: 26.609 CD2 :: 22.169 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 :: 8.089 HA :: 4.016 HB2 :: 2.093 HB3 :: 1.158 HG :: 1.977 HD11 :: 0.585 HD12 :: 0.585 HD13 :: 0.585 HD21 :: 0.162 HD22 :: 0.162 HD23 :: 0.162 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 :: 118.516 Ave N Shift Values>> N :: 121.86(3.9) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.E65 1.E65 C Shift Assignments>> C :: 177.380 CA :: 66.082 CB :: 38.564 CG1 :: 30.550 CG2 :: 17.301 CD1 :: 14.356 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 :: 8.371 HA :: 3.400 HB :: 1.890 HG12 :: 1.891 HG13 :: 0.634 HG21 :: 0.885 HG22 :: 0.885 HG23 :: 0.885 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.585 Ave N Shift Values>> N :: 121.46(4.28) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 G 0.15 K 0.04 C Shift Assignments>> C :: 179.308 CA :: 60.186 CB :: 30.089 CG :: 27.318 CD :: 43.351 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 :: 7.889 HA :: 3.903 HB2 :: 2.103 HB3 :: 2.017 HG2 :: 1.806 HG3 :: 1.655 HD2 :: 3.289 HD3 :: 3.258 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 :: 119.714 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.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.L30 1.L30 C Shift Assignments>> C :: 178.952 CA :: 65.272 CB :: 38.606 CG1 :: 29.389 CG2 :: 17.607 CD1 :: 14.213 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 :: 8.321 HA :: 3.838 HB :: 2.078 HG12 :: 1.971 HG13 :: 1.218 HG21 :: 0.897 HG22 :: 0.897 HG23 :: 0.897 HD11 :: 1.065 HD12 :: 1.065 HD13 :: 1.065 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 :: 119.713 Ave N Shift Values>> N :: 121.46(4.28) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 R 0.22 G 0.02 C Shift Assignments>> C :: 180.325 CA :: 58.092 CB :: 42.181 CG :: 27.062 CD1 :: 26.348 CD2 :: 22.500 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 :: 8.469 HA :: 4.021 HB2 :: 2.093 HB3 :: 1.313 HG :: 2.074 HD11 :: 0.976 HD12 :: 0.976 HD13 :: 0.976 HD21 :: 0.741 HD22 :: 0.741 HD23 :: 0.741 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 :: 119.049 Ave N Shift Values>> N :: 121.86(3.9) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.44 HN Overlap>> 1.E37 1.E37 C Shift Assignments>> C :: 181.263 CA :: 59.802 CB :: 32.863 CG :: 26.540 CD :: 30.229 CE :: 41.725 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 :: 8.726 HA :: 4.373 HB2 :: 2.025 HB3 :: 2.025 HG2 :: 1.721 HG3 :: 1.231 HD2 :: 1.672 HD3 :: 1.673 HE2 :: 2.821 HE3 :: 2.766 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 :: 121.283 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.27 L 0.13 D 0.11 K 0.07 I 0.06 N 0.01 C Shift Assignments>> C :: 178.829 CA :: 57.580 CB :: 40.515 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 :: 8.453 HA :: 4.446 HB2 :: 2.955 HB3 :: 2.754 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 :: 123.494 Ave N Shift Values>> N :: 120.65(3.86) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.12 C Shift Assignments>> C :: 177.352 CA :: 56.442 CB :: 32.854 CG :: 25.018 CD :: 28.920 CE :: 41.546 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 :: 8.137 HA :: 4.287 HB2 :: 1.980 HB3 :: 1.857 HG2 :: 1.590 HG3 :: 1.593 HD2 :: 1.533 HD3 :: 1.487 HE2 :: 2.821 HE3 :: 2.820 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.866 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 174.207 CA :: 45.486 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.974 HA2 :: 4.129 HA3 :: 3.914 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.007 Ave N Shift Values>> N :: 109.67(3.87) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 L 0.15 M 0.03 C Shift Assignments>> C :: 178.788 CA :: 53.391 CB :: 20.958 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.143 HA :: 4.456 HB1 :: 1.512 HB2 :: 1.512 HB3 :: 1.512 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.402 Ave N Shift Values>> N :: 123.23(3.54) 1.I77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.48 I 0.28 A 0.22 C Shift Assignments>> C :: 173.346 CA :: 58.284 CB :: 42.901 CG1 :: 24.232 CG2 :: 18.165 CD1 :: 15.200 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.177 HA :: 5.512 HB :: 1.870 HG12 :: 1.109 HG13 :: 0.746 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 HD11 :: 0.935 HD12 :: 0.935 HD13 :: 0.935 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 :: 106.763(S) Ave N Shift Values>> N :: 121.46(4.28) 1.F78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 F 0.44 C Shift Assignments>> C :: 171.349 CA :: 55.189 CB :: 41.190 CD1 :: 132.599 CD2 :: 132.599 CE1 :: 131.198 CE2 :: 131.198 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.474 HA :: 4.877 HB2 :: 3.118 HB3 :: 2.991 HD1 :: 7.097 HD2 :: 7.097 HE1 :: 7.218 HE2 :: 7.218 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 :: 119.405 Ave N Shift Values>> N :: 120.45(4.18) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 E 0.31 C Shift Assignments>> C :: 174.727 CA :: 51.854 CB :: 31.685 CG :: 36.471 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 :: 8.741 HA :: 5.510 HB2 :: 2.115 HB3 :: 1.668 HG2 :: 2.585 HG3 :: 2.108 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 :: 122.205 Ave N Shift Values>> N :: 120.67(3.48) 1.P80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.562 CA :: 63.476 CB :: 31.574 CG :: 26.773 CD :: 49.866 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 :: 4.306 HB2 :: 2.045 HB3 :: 1.874 HG2 :: 1.466 HG3 :: 1.468 HD2 :: 3.855 HD3 :: 2.664 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.A81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 L 0.15 C Shift Assignments>> C :: 175.649 CA :: 50.500 CB :: 21.828 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.191 HA :: 4.361 HB1 :: 1.285 HB2 :: 1.285 HB3 :: 1.285 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.508 Ave N Shift Values>> N :: 123.23(3.54) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.17 G 0.07 L 0.04 HN Overlap>> 1.E52 1.E52 C Shift Assignments>> C :: 178.132 CA :: 58.041 CB :: 29.520 CG :: 26.749 CD :: 43.140 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 :: 8.551 HA :: 4.116 HB2 :: 1.806 HB3 :: 1.776 HG2 :: 1.703 HG3 :: 1.592 HD2 :: 3.221 HD3 :: 3.221 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 :: 121.005 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.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.17 R 0.05 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.084 CA :: 44.882 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.130 HA2 :: 4.014 HA3 :: 3.527 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.192 Ave N Shift Values>> N :: 109.67(3.87) 1.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.84 G 0.15 C Shift Assignments>> C :: 174.276 CA :: 57.179 CB :: 43.237 CD1 :: 133.074 CD2 :: 133.074 CE1 :: 118.035 CE2 :: 118.024 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 :: 8.167 HA :: 5.249 HB2 :: 2.548 HB3 :: 2.548 HD1 :: 6.597 HD2 :: 6.597 HE1 :: 6.709 HE2 :: 6.709 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.749 Ave N Shift Values>> N :: 120.52(4.2) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 G 0.31 L 0.16 C Shift Assignments>> C :: 175.798 CA :: 52.824 CB :: 47.685 CG :: 26.260 CD1 :: 26.023 CD2 :: 22.641 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 :: 8.994 HA :: 5.191 HB2 :: 1.515 HB3 :: 1.204 HG :: 1.772 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.764 HD22 :: 0.764 HD23 :: 0.764 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 :: 117.976 Ave N Shift Values>> N :: 121.86(3.9) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.4 G 0.03 A 0.01 C Shift Assignments>> C :: 174.987 CA :: 54.875 CB :: 37.562 CG :: 24.815 CD :: 29.381 CE :: 41.790 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 :: 8.323 HA :: 4.822 HB2 :: 1.183 HB3 :: 1.077 HG2 :: 1.687 HG3 :: 1.486 HD2 :: 1.716 HD3 :: 1.564 HE2 :: 3.224 HE3 :: 3.222 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.350 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.655 CA :: 62.394 CB :: 38.623 CG1 :: 29.267 CG2 :: 17.777 CD1 :: 13.455 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 :: 9.233 HA :: 4.258 HB :: 1.967 HG12 :: 1.707 HG13 :: 1.205 HG21 :: 1.101 HG22 :: 1.101 HG23 :: 1.101 HD11 :: 0.982 HD12 :: 0.982 HD13 :: 0.982 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.308 Ave N Shift Values>> N :: 121.46(4.28) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 181.235 CA :: 66.348 CB :: 32.229 CG1 :: 21.320 CG2 :: 22.368 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 :: 7.616 HA :: 3.699 HB :: 1.833 HG11 :: 0.857 HG12 :: 0.857 HG13 :: 0.857 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 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 :: 132.603 Ave N Shift Values>> N :: 121.14(4.54) ########################################################################### Overall Results: #Consistent: 86 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 87 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 88 #Suspicious: 0 C Shift Results: #Consistent: 405 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 643 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 82 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.R56 HB2 = 0.843(S), Expected = 1.79, Std = 0.2700, ChiSquare = 4.5250e-04 1.R56 HB3 = 0.633(S), Expected = 1.76, Std = 0.2800, ChiSquare = 5.6975e-05 1.I77 N = 106.763(S), Expected = 121.46, Std = 4.2800, ChiSquare = 5.9501e-04