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.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 175.884 CA :: 62.700 CB :: 33.530 CG1 :: 21.484 CG2 :: 21.648 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> HA :: 4.150 HB :: 2.020 HG11 :: 0.920 HG12 :: 0.920 HG13 :: 0.920 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 C 0.1 F 0.08 L 0.08 Y 0.08 C Shift Assignments>> C :: 176.207 CA :: 52.961 CB :: 39.252 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 :: 8.870 HA :: 4.807 HB2 :: 2.938 HB3 :: 2.938 HD21 :: 7.025 HD22 :: 7.699 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 :: 125.318 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.38 R 0.16 G 0.01 C Shift Assignments>> C :: 178.516 CA :: 59.143 CB :: 32.778 CG :: 25.504 CD :: 29.599 CE :: 42.372 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 :: 8.674 HA :: 4.177 HB2 :: 1.857 HB3 :: 1.815 HG2 :: 1.450 HG3 :: 1.545 HD2 :: 1.725 HD3 :: 1.725 HE2 :: 3.014 HE3 :: 3.014 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.273 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.2 N 0.2 C 0.18 L 0.04 E 0.04 I 0.03 M 0.02 HN Overlap>> 1.Y54 1.Y54 C Shift Assignments>> C :: 177.200 CA :: 55.744 CB :: 38.415 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 :: 8.515 HA :: 4.558 HB2 :: 2.744 HB3 :: 2.904 HD21 :: 7.672 HD22 :: 8.364 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.715 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 I 0.16 K 0.05 Q 0.02 M 0.01 HN Overlap>> 1.S64 1.S64 C Shift Assignments>> C :: 178.864 CA :: 59.271 CB :: 29.582 CG :: 36.478 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 :: 8.222 HA :: 4.051 HB2 :: 1.835 HB3 :: 1.835 HG2 :: 2.050 HG3 :: 2.123 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 :: 120.502 Ave N Shift Values>> N :: 120.67(3.48) 1.Y8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 176.828 CA :: 60.699 CB :: 38.200 CD1 :: 133.098 CD2 :: 133.098 CE1 :: 118.573 CE2 :: 118.573 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 :: 8.127 HA :: 4.405 HB2 :: 3.145 HB3 :: 2.863 HD1 :: 7.013 HD2 :: 7.013 HE1 :: 6.760 HE2 :: 6.760 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 :: 116.857 Ave N Shift Values>> N :: 120.52(4.2) 1.K9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.32 R 0.16 G 0.01 C Shift Assignments>> C :: 178.516 CA :: 60.543 CB :: 33.016 CG :: 25.687 CD :: 29.742 CE :: 42.443 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 :: 7.826 HA :: 4.015 HB2 :: 2.185 HB3 :: 1.946 HG2 :: 1.525 HG3 :: 1.610 HD2 :: 1.817 HD3 :: 1.817 HE2 :: 3.069 HE3 :: 3.069 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 :: 122.239 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.498 CA :: 64.808 CB :: 37.897 CG1 :: 29.757 CG2 :: 18.329 CD1 :: 14.156 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 :: 8.464 HA :: 3.755 HB :: 2.246 HG12 :: 1.415 HG13 :: 1.677 HG21 :: 1.016 HG22 :: 1.016 HG23 :: 1.016 HD11 :: 1.008 HD12 :: 1.008 HD13 :: 1.008 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 :: 117.037 Ave N Shift Values>> N :: 121.46(4.28) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.44 R 0.02 C Shift Assignments>> C :: 178.616 CA :: 57.942 CB :: 41.574 CG :: 26.470 CD1 :: 23.419 CD2 :: 25.551 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.924 HA :: 3.894 HB2 :: 1.808 HB3 :: 1.414 HG :: 1.228 HD11 :: 0.251 HD12 :: 0.251 HD13 :: 0.251 HD21 :: 0.314 HD22 :: 0.314 HD23 :: 0.314 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 :: 117.336 Ave N Shift Values>> N :: 121.86(3.9) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 178.467 CA :: 65.863 CB :: 38.661 CG1 :: 30.297 CG2 :: 17.426 CD1 :: 13.657 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 :: 8.124 HA :: 3.462 HB :: 1.913 HG12 :: 1.671 HG13 :: 1.083 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 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 :: 120.009 Ave N Shift Values>> N :: 121.46(4.28) 1.M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 M 0.29 Q 0.07 E 0.02 C Shift Assignments>> C :: 180.279 CA :: 59.096 CB :: 33.631 CG :: 33.038 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 :: 8.274 HA :: 4.331 HB2 :: 2.291 HB3 :: 1.945 HG2 :: 2.759 HG3 :: 2.759 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 :: 117.562 Ave N Shift Values>> N :: 120.09(3.57) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 L 0.27 R 0.23 G 0.04 C Shift Assignments>> C :: 178.342 CA :: 58.823 CB :: 42.971 CG :: 27.290 CD1 :: 27.102 CD2 :: 24.292 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 :: 7.863 HA :: 4.008 HB2 :: 1.401 HB3 :: 2.108 HG :: 2.052 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 HD21 :: 1.043 HD22 :: 1.043 HD23 :: 1.043 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 :: 121.120 Ave N Shift Values>> N :: 121.86(3.9) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.34 R 0.09 G 0.02 C Shift Assignments>> C :: 180.925 CA :: 60.749 CB :: 32.880 CG :: 25.057 CD :: 30.068 CE :: 42.424 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 :: 8.127 HA :: 3.681 HB2 :: 1.973 HB3 :: 1.656 HG2 :: 1.339 HG3 :: 1.339 HD2 :: 1.518 HD3 :: 1.518 HE2 :: 2.951 HE3 :: 2.951 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 :: 120.646 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.32 I 0.19 K 0.02 M 0.01 C Shift Assignments>> C :: 178.094 CA :: 59.370 CB :: 29.920 CG :: 37.112 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.259 HA :: 4.107 HB2 :: 2.094 HB3 :: 2.094 HG2 :: 2.449 HG3 :: 2.312 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 :: 120.433 Ave N Shift Values>> N :: 120.67(3.48) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 K 0.22 F 0.12 Y 0.08 N 0.07 C 0.07 R 0.05 C Shift Assignments>> C :: 172.631 CA :: 54.637 CB :: 41.625 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.268 HA :: 4.745 HB2 :: 2.934 HB3 :: 2.642 HD21 :: 6.985 HD22 :: 7.694 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.054 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.37 Q 0.1 R 0.05 I 0.01 E 0.01 C Shift Assignments>> C :: 176.207 CA :: 57.251 CB :: 25.536 CG :: 34.273 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 :: 8.040 HA :: 3.724 HB2 :: 2.331 HB3 :: 2.331 HG2 :: 2.297 HG3 :: 2.297 HE21 :: 7.501 HE22 :: 6.807 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 :: 114.006 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.26 L 0.2 C 0.19 Q 0.1 K 0.09 I 0.08 E 0.04 C Shift Assignments>> C :: 176.853 CA :: 57.585 CB :: 26.639 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.286 HA :: 4.800 HB2 :: 2.766 HB3 :: 2.865 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 :: 118.180 Ave N Shift Values>> N :: 120.17(4.64) 1.T20 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 :: 175.040 CA :: 61.059 CB :: 69.491 CG2 :: 21.303 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 :: 7.657 HA :: 4.985 HB :: 4.690 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 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 :: 108.325 Ave N Shift Values>> N :: 115.42(4.75) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 T 0.31 A 0.01 C Shift Assignments>> C :: 179.361 CA :: 58.838 CB :: 73.254 CG2 :: 21.758 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 :: 7.514 HA :: 3.929 HB :: 4.214 HG21 :: 1.057 HG22 :: 1.057 HG23 :: 1.057 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.402 Ave N Shift Values>> N :: 115.42(4.75) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.13 K 0.1 Q 0.06 M 0.01 C Shift Assignments>> C :: 177.150 CA :: 58.518 CB :: 28.947 CG :: 36.100 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 :: 8.349 HA :: 3.602 HB2 :: 2.000 HB3 :: 2.000 HG2 :: 2.282 HG3 :: 2.198 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.571 Ave N Shift Values>> N :: 120.67(3.48) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.29 R 0.12 G 0.05 A 0.01 C Shift Assignments>> C :: 177.697 CA :: 55.556 CB :: 43.060 CG :: 27.548 CD1 :: 23.347 CD2 :: 25.311 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 :: 7.291 HA :: 4.338 HB2 :: 1.484 HB3 :: 1.559 HG :: 1.575 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 HD21 :: 0.886 HD22 :: 0.886 HD23 :: 0.886 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 :: 117.450 Ave N Shift Values>> N :: 121.86(3.9) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.34 R 0.17 G 0.01 C Shift Assignments>> C :: 172.010 CA :: 55.438 CB :: 32.042 CG :: 24.915 CD :: 29.261 CE :: 42.443 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 :: 7.373 HA :: 4.476 HB2 :: 2.084 HB3 :: 1.618 HG2 :: 1.319 HG3 :: 1.319 HD2 :: 1.711 HD3 :: 1.753 HE2 :: 3.069 HE3 :: 3.069 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.741 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 174.320 CA :: 57.104 CB :: 66.024 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.066 HA :: 4.641 HB2 :: 3.723 HB3 :: 3.619 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 :: 112.151 Ave N Shift Values>> N :: 116.28(3.52) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 C 0.11 F 0.05 C Shift Assignments>> C :: 177.349 CA :: 51.937 CB :: 43.672 CD1 :: 130.320 CD2 :: 130.320 CE1 :: 130.005 CE2 :: 130.005 CZ :: 132.115 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.673 HA :: 6.049 HB2 :: 3.497 HB3 :: 3.076 HD1 :: 7.235 HD2 :: 7.235 HE1 :: 7.157 HE2 :: 7.157 HZ :: 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 :: 120.243 Ave N Shift Values>> N :: 120.45(4.18) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.51 C 0.48 C Shift Assignments>> C :: 176.505 CA :: 60.088 CB :: 72.204 CG2 :: 22.735 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 :: 8.015 HA :: 4.987 HB :: 5.009 HG21 :: 1.416 HG22 :: 1.416 HG23 :: 1.416 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.336 Ave N Shift Values>> N :: 115.42(4.75) 1.Y28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.67 C 0.32 C Shift Assignments>> C :: 179.385 CA :: 62.120 CB :: 38.902 CD1 :: 132.922 CD2 :: 132.922 CE1 :: 119.074 CE2 :: 119.074 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 :: 8.964 HA :: 4.413 HB2 :: 3.104 HB3 :: 3.161 HD1 :: 7.150 HD2 :: 7.150 HE1 :: 6.656 HE2 :: 6.656 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 :: 117.617 Ave N Shift Values>> N :: 120.52(4.2) 1.T29 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 :: 176.455 CA :: 67.598 CB :: 69.131 CG2 :: 22.247 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 :: 8.559 HA :: 3.795 HB :: 4.076 HG21 :: 1.250 HG22 :: 1.250 HG23 :: 1.250 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 :: 114.320 Ave N Shift Values>> N :: 115.42(4.75) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.37 R 0.17 G 0.01 C Shift Assignments>> C :: 178.864 CA :: 59.108 CB :: 32.548 CG :: 24.381 CD :: 28.663 CE :: 42.562 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 :: 7.927 HA :: 3.994 HB2 :: 1.662 HB3 :: 1.662 HG2 :: 0.565 HG3 :: 0.565 HD2 :: 1.477 HD3 :: 1.157 HE2 :: 2.387 HE3 :: 2.448 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.176 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.29 R 0.21 G 0.06 C Shift Assignments>> C :: 181.322 CA :: 58.504 CB :: 43.177 CG :: 27.738 CD1 :: 24.105 CD2 :: 25.997 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 :: 8.124 HA :: 4.100 HB2 :: 1.320 HB3 :: 2.456 HG :: 2.116 HD11 :: 1.161 HD12 :: 1.161 HD13 :: 1.161 HD21 :: 0.968 HD22 :: 0.968 HD23 :: 0.968 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 :: 117.669 Ave N Shift Values>> N :: 121.86(3.9) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 I 0.39 C 0.09 C Shift Assignments>> C :: 176.828 CA :: 64.305 CB :: 27.579 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.922 HA :: 4.008 HB2 :: 3.097 HB3 :: 3.169 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.480 Ave N Shift Values>> N :: 120.17(4.64) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.27 C 0.17 N 0.08 I 0.06 L 0.06 E 0.01 C Shift Assignments>> C :: 178.367 CA :: 56.756 CB :: 39.003 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 :: 8.270 HA :: 4.434 HB2 :: 2.838 HB3 :: 2.932 HD21 :: 6.940 HD22 :: 7.526 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.164 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 177.597 CA :: 63.840 CB :: 38.344 CG1 :: 27.089 CG2 :: 17.860 CD1 :: 15.143 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 :: 8.282 HA :: 4.215 HB :: 2.020 HG12 :: 1.574 HG13 :: 1.535 HG21 :: 1.006 HG22 :: 1.006 HG23 :: 1.006 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 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 :: 114.093 Ave N Shift Values>> N :: 121.46(4.28) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 174.667 CA :: 60.706 CB :: 65.618 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.826 HA :: 4.274 HB2 :: 3.807 HB3 :: 3.858 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 :: 115.295 Ave N Shift Values>> N :: 116.28(3.52) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.28 K 0.18 G 0.03 C Shift Assignments>> C :: 175.934 CA :: 58.053 CB :: 29.273 CG :: 25.374 CD :: 29.119 CE :: 42.864 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 :: 7.946 HA :: 4.014 HB2 :: 2.164 HB3 :: 2.046 HG2 :: 1.426 HG3 :: 1.333 HD2 :: 1.705 HD3 :: 1.656 HE2 :: 3.034 HE3 :: 3.034 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.123 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 L 0.29 C 0.13 A 0.05 C Shift Assignments>> C :: 176.977 CA :: 53.625 CB :: 45.173 CG :: 26.628 CD1 :: 25.846 CD2 :: 22.880 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 :: 7.670 HA :: 4.641 HB2 :: 1.679 HB3 :: 1.277 HG :: 1.541 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 HD21 :: 0.935 HD22 :: 0.935 HD23 :: 0.935 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 :: 120.552 Ave N Shift Values>> N :: 121.86(3.9) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.214 CA :: 57.768 CB :: 65.254 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.542 HA :: 4.345 HB2 :: 4.067 HB3 :: 4.286 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 :: 116.185 Ave N Shift Values>> N :: 116.28(3.52) 1.M39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.21 K 0.2 M 0.17 E 0.01 R 0.01 C Shift Assignments>> C :: 178.467 CA :: 58.127 CB :: 30.409 CG :: 32.683 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.024 HA :: 4.236 HB2 :: 1.973 HB3 :: 2.185 HG2 :: 2.263 HG3 :: 2.693 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.678 Ave N Shift Values>> N :: 120.09(3.57) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.697 CA :: 61.836 CB :: 62.426 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.525 HA :: 4.015 HB2 :: 3.844 HB3 :: 3.807 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 :: 114.009 Ave N Shift Values>> N :: 116.28(3.52) 1.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 177.250 CA :: 67.002 CB :: 68.421 CG2 :: 22.862 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 :: 7.702 HA :: 3.876 HB :: 4.330 HG21 :: 1.228 HG22 :: 1.228 HG23 :: 1.228 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.215 Ave N Shift Values>> N :: 115.42(4.75) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 177.846 CA :: 68.172 CB :: 31.845 CG1 :: 24.908 CG2 :: 22.689 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 :: 8.637 HA :: 3.407 HB :: 2.154 HG11 :: 0.983 HG12 :: 0.983 HG13 :: 0.983 HG21 :: 1.091 HG22 :: 1.091 HG23 :: 1.091 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.106 Ave N Shift Values>> N :: 121.14(4.54) 1.R43 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 R 0.3 G 0.1 K 0.05 C Shift Assignments>> C :: 179.385 CA :: 60.870 CB :: 30.379 CG :: 28.337 CD :: 43.357 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 :: 8.764 HA :: 3.632 HB2 :: 1.625 HB3 :: 1.524 HG2 :: 1.285 HG3 :: 0.567(S) HD2 :: 2.827 HD3 :: 2.780 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 :: 118.993 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.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.35 G 0.12 K 0.03 C Shift Assignments>> C :: 179.385 CA :: 59.918 CB :: 30.384 CG :: 28.028 CD :: 43.657 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 :: 7.728 HA :: 3.940 HB2 :: 1.884 HB3 :: 1.837 HG2 :: 1.699 HG3 :: 1.546 HD2 :: 3.166 HD3 :: 3.166 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 :: 119.700 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.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.990 CA :: 62.721 CB :: 63.220 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.075 HA :: 3.738 HB2 :: 3.439 HB3 :: 3.797 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.104 Ave N Shift Values>> N :: 116.28(3.52) 1.I46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 I 0.15 C Shift Assignments>> C :: 177.150 CA :: 62.579 CB :: 34.927 CG1 :: 27.652 CG2 :: 16.293 CD1 :: 9.453 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 :: 8.396 HA :: 3.514 HB :: 2.076 HG12 :: 0.974 HG13 :: 1.529 HG21 :: -0.095 HG22 :: -0.095 HG23 :: -0.095 HD11 :: 0.402 HD12 :: 0.402 HD13 :: 0.402 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 :: 121.494 Ave N Shift Values>> N :: 121.46(4.28) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.35 R 0.11 G 0.02 C Shift Assignments>> C :: 179.286 CA :: 60.699 CB :: 32.405 CG :: 25.236 CD :: 29.609 CE :: 42.558 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 :: 7.790 HA :: 3.902 HB2 :: 1.876 HB3 :: 1.876 HG2 :: 1.370 HG3 :: 1.488 HD2 :: 1.610 HD3 :: 1.656 HE2 :: 2.974 HE3 :: 2.974 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 :: 119.940 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 C Shift Assignments>> C :: 179.435 CA :: 58.909 CB :: 31.944 CG :: 24.878 CD :: 29.439 CE :: 42.111 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 :: 7.227 HA :: 4.082 HB2 :: 1.689 HB3 :: 1.615 HG2 :: 1.419 HG3 :: 1.208 HD2 :: 1.549 HD3 :: 1.549 HE2 :: 2.816 HE3 :: 2.816 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 :: 119.597 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 C Shift Assignments>> C :: 179.286 CA :: 57.893 CB :: 38.513 CD1 :: 130.490 CD2 :: 130.490 CE1 :: 131.537 CE2 :: 131.537 CZ :: 130.521 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.477 HA :: 4.614 HB2 :: 3.112 HB3 :: 3.313 HD1 :: 6.967 HD2 :: 6.967 HE1 :: 7.302 HE2 :: 7.302 HZ :: 7.015 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.199 Ave N Shift Values>> N :: 120.45(4.18) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 L 0.31 R 0.19 G 0.03 C Shift Assignments>> C :: 181.720 CA :: 58.219 CB :: 42.722 CG :: 26.915 CD1 :: 23.967 CD2 :: 26.921 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.292 HA :: 4.328 HB2 :: 2.060 HB3 :: 1.576 HG :: 1.636 HD11 :: 0.999 HD12 :: 0.999 HD13 :: 0.999 HD21 :: 0.975 HD22 :: 0.975 HD23 :: 0.975 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.143 Ave N Shift Values>> N :: 121.86(3.9) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.32 I 0.2 K 0.04 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.336 CA :: 59.768 CB :: 29.582 CG :: 36.481 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 :: 7.547 HA :: 4.053 HB2 :: 2.263 HB3 :: 2.141 HG2 :: 2.485 HG3 :: 2.256 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 :: 122.853 Ave N Shift Values>> N :: 120.67(3.48) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.33 A 0.06 C Shift Assignments>> C :: 175.338 CA :: 55.297 CB :: 41.953 CG :: 27.093 CD1 :: 22.723 CD2 :: 22.560 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 :: 7.589 HA :: 4.028 HB2 :: 0.959 HB3 :: 0.595 HG :: 1.663 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 HD21 :: 0.789 HD22 :: 0.789 HD23 :: 0.789 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 :: 117.549 Ave N Shift Values>> N :: 121.86(3.9) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.27 Q 0.13 R 0.06 E 0.03 I 0.03 C Shift Assignments>> C :: 177.002 CA :: 57.601 CB :: 25.993 CG :: 34.605 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 :: 7.633 HA :: 4.136 HB2 :: 2.382 HB3 :: 2.421 HG2 :: 2.291 HG3 :: 2.291 HE21 :: 6.884 HE22 :: 7.552 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 :: 111.014 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 Y 0.25 HN Overlap>> 1.N6 1.N6 C Shift Assignments>> C :: 176.157 CA :: 55.681 CB :: 38.812 CD1 :: 130.591 CD2 :: 130.591 CE1 :: 119.112 CE2 :: 119.112 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 :: 8.539 HA :: 4.524 HB2 :: 2.818 HB3 :: 3.087 HD1 :: 6.629 HD2 :: 6.629 HE1 :: 6.892 HE2 :: 6.892 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 :: 118.766 Ave N Shift Values>> N :: 120.52(4.2) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.08 A 0.01 C Shift Assignments>> C :: 173.649 CA :: 58.508 CB :: 36.790 CG1 :: 20.854 CG2 :: 22.885 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 :: 7.283 HA :: 5.214 HB :: 1.952 HG11 :: 0.675 HG12 :: 0.675 HG13 :: 0.675 HG21 :: 0.777 HG22 :: 0.777 HG23 :: 0.777 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 :: 111.271 Ave N Shift Values>> N :: 121.14(4.54) 1.K56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.57 C 0.39 G 0.02 C Shift Assignments>> C :: 174.096 CA :: 55.297 CB :: 38.520 CG :: 26.948 CD :: 29.760 CE :: 42.564 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 :: 8.122 HA :: 4.297 HB2 :: 1.388 HB3 :: 0.677(S) HG2 :: 1.434 HG3 :: 1.212 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 3.059 HE3 :: 3.059 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 :: 122.343 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 E 0.26 M 0.1 I 0.03 C Shift Assignments>> C :: 178.740 CA :: 56.376 CB :: 31.155 CG :: 38.003 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 :: 8.487 HA :: 4.814 HB2 :: 2.035 HB3 :: 1.900 HG2 :: 2.333 HG3 :: 2.333 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 :: 120.912 Ave N Shift Values>> N :: 120.67(3.48) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.31 G 0.11 F 0.05 C 0.04 Y 0.03 K 0.02 C Shift Assignments>> C :: 174.518 CA :: 43.569 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.131 HA2 :: 4.545 HA3 :: 3.642 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.167 Ave N Shift Values>> N :: 109.67(3.87) 1.C59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 C 0.24 R 0.15 Q 0.07 E 0.06 K 0.06 L 0.04 P 0.03 C Shift Assignments>> C :: 176.480 CA :: 59.903 CB :: 27.450 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.320 HA :: 4.229 HB2 :: 2.644 HB3 :: 2.939 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.072 Ave N Shift Values>> N :: 120.17(4.64) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.36 R 0.21 G 0.01 C Shift Assignments>> C :: 177.101 CA :: 58.205 CB :: 33.275 CG :: 25.689 CD :: 29.614 CE :: 42.389 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 :: 8.803 HA :: 4.163 HB2 :: 1.630 HB3 :: 1.630 HG2 :: 1.408 HG3 :: 1.332 HD2 :: 1.559 HD3 :: 1.559 HE2 :: 2.925 HE3 :: 2.874 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.427 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.27 C 0.22 E 0.06 M 0.05 R 0.02 C Shift Assignments>> C :: 176.430 CA :: 54.406 CB :: 29.264 CG :: 33.977 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 :: 8.236 HA :: 4.493 HB2 :: 1.929 HB3 :: 1.580 HG2 :: 2.295 HG3 :: 2.295 HE21 :: 6.823 HE22 :: 7.633 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 :: 123.790 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 175.536 CA :: 47.048 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.755 HA2 :: 4.152 HA3 :: 3.600 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.910 Ave N Shift Values>> N :: 109.67(3.87) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 177.573 CA :: 61.808 CB :: 38.812 CG1 :: 26.794 CG2 :: 18.457 CD1 :: 14.505 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 :: 8.511 HA :: 4.406 HB :: 2.185 HG12 :: 1.346 HG13 :: 1.251 HG21 :: 0.960 HG22 :: 0.960 HG23 :: 0.960 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 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 :: 122.175 Ave N Shift Values>> N :: 121.46(4.28) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> C :: 173.401 CA :: 59.463 CB :: 64.399 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.215 HA :: 4.628 HB2 :: 4.055 HB3 :: 4.138 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.573 Ave N Shift Values>> N :: 116.28(3.52) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.42 K 0.08 G 0.01 C Shift Assignments>> C :: 176.728 CA :: 56.851 CB :: 35.535 CG :: 26.630 CD :: 30.585 CE :: 42.564 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 :: 8.356 HA :: 4.359 HB2 :: 1.325 HB3 :: 1.463 HG2 :: 1.651 HG3 :: 1.651 HD2 :: 1.871 HD3 :: 1.670 HE2 :: 3.087 HE3 :: 3.132 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.901 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.35 C Shift Assignments>> C :: 174.096 CA :: 59.159 CB :: 71.778 CG2 :: 21.922 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 :: 8.209 HA :: 4.448 HB :: 3.511 HG21 :: 0.974 HG22 :: 0.974 HG23 :: 0.974 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.315 Ave N Shift Values>> N :: 115.42(4.75) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 F 0.29 C 0.17 C Shift Assignments>> C :: 173.922 CA :: 57.907 CB :: 44.284 CD1 :: 131.920 CD2 :: 131.920 CE1 :: 130.444 CE2 :: 130.444 CZ :: 131.920 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.574 HA :: 5.448 HB2 :: 2.401 HB3 :: 2.838 HD1 :: 6.770 HD2 :: 6.770 HE1 :: 6.806 HE2 :: 6.806 HZ :: 6.759 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 :: 116.341 Ave N Shift Values>> N :: 120.45(4.18) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 173.624 CA :: 55.723 CB :: 41.026 CD1 :: 134.364 CD2 :: 134.364 CE1 :: 117.152 CE2 :: 117.152 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 :: 8.741 HA :: 4.973 HB2 :: 2.678 HB3 :: 2.678 HD1 :: 6.507 HD2 :: 6.507 HE1 :: 6.447 HE2 :: 6.447 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 :: 118.232 Ave N Shift Values>> N :: 120.52(4.2) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 I 0.44 C Shift Assignments>> C :: 174.071 CA :: 60.203 CB :: 41.313 CG1 :: 28.823 CG2 :: 16.157 CD1 :: 14.360 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 :: 8.866 HA :: 4.798 HB :: 1.648 HG12 :: 1.742 HG13 :: 1.666 HG21 :: 0.673 HG22 :: 0.673 HG23 :: 0.673 HD11 :: 0.773 HD12 :: 0.773 HD13 :: 0.773 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 :: 119.776 Ave N Shift Values>> N :: 121.46(4.28) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.19 C Shift Assignments>> CA :: 60.082 CB :: 68.753 CG2 :: 20.085 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 :: 7.775 HA :: 4.548 HB :: 4.926 HG21 :: 1.525 HG22 :: 1.525 HG23 :: 1.525 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 :: 117.944 Ave N Shift Values>> N :: 115.42(4.75) 1.P71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.58 C 0.41 C Shift Assignments>> C :: 179.137 CA :: 66.640 CB :: 32.020 CG :: 28.640 CD :: 51.050 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 :: 4.240 HB2 :: 2.270 HB3 :: 2.480 HG2 :: 2.080 HG3 :: 1.980 HD2 :: 3.990 HD3 :: 4.270 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.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.21 F 0.2 N 0.12 E 0.09 I 0.05 M 0.03 L 0.02 C Shift Assignments>> C :: 178.873 CA :: 56.313 CB :: 38.042 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 :: 8.386 HA :: 4.517 HB2 :: 2.917 HB3 :: 2.917 HD21 :: 7.161 HD22 :: 7.390 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.368 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 174.841 CA :: 47.079 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.175 HA2 :: 3.138 HA3 :: 3.890 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.036 Ave N Shift Values>> N :: 109.67(3.87) 1.I74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.86 C 0.13 C Shift Assignments>> C :: 179.013 CA :: 65.705 CB :: 37.864 CG1 :: 29.920 CG2 :: 17.414 CD1 :: 12.853 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 :: 8.217 HA :: 3.380 HB :: 2.013 HG12 :: 0.808 HG13 :: 1.674 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 123.555 Ave N Shift Values>> N :: 121.46(4.28) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.13 K 0.08 Q 0.05 M 0.01 C Shift Assignments>> C :: 179.758 CA :: 59.299 CB :: 29.440 CG :: 36.010 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 :: 8.139 HA :: 3.933 HB2 :: 2.066 HB3 :: 2.066 HG2 :: 2.312 HG3 :: 2.312 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 :: 120.383 Ave N Shift Values>> N :: 120.67(3.48) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.35 K 0.24 G 0.02 C Shift Assignments>> C :: 179.261 CA :: 57.509 CB :: 30.568 CG :: 23.993 CD :: 28.312 CE :: 42.722 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 :: 7.590 HA :: 4.035 HB2 :: 1.304 HB3 :: 1.456 HG2 :: 0.677 HG3 :: 1.017 HD2 :: 1.560 HD3 :: 1.698 HE2 :: 2.632 HE3 :: 2.996 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 :: 121.378 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.38 R 0.05 C Shift Assignments>> C :: 178.864 CA :: 57.310 CB :: 41.924 CG :: 26.184 CD1 :: 26.440 CD2 :: 23.487 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 :: 7.539 HA :: 3.788 HB2 :: 1.400 HB3 :: 1.842 HG :: 1.713 HD11 :: 0.667 HD12 :: 0.667 HD13 :: 0.667 HD21 :: 0.675 HD22 :: 0.675 HD23 :: 0.675 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 :: 118.153 Ave N Shift Values>> N :: 121.86(3.9) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.34 R 0.2 G 0.01 C Shift Assignments>> C :: 178.491 CA :: 59.228 CB :: 32.642 CG :: 25.831 CD :: 29.760 CE :: 42.301 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 :: 7.592 HA :: 4.028 HB2 :: 1.907 HB3 :: 1.907 HG2 :: 1.410 HG3 :: 1.594 HD2 :: 1.656 HD3 :: 1.656 HE2 :: 2.842 HE3 :: 2.932 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 :: 118.509 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.089 CA :: 59.807 CB :: 64.453 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.669 HA :: 4.457 HB2 :: 3.943 HB3 :: 4.014 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 :: 112.515 Ave N Shift Values>> N :: 116.28(3.52) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 175.512 CA :: 61.488 CB :: 39.147 CG1 :: 26.632 CG2 :: 18.034 CD1 :: 13.751 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 :: 7.286 HA :: 4.337 HB :: 1.895 HG12 :: 1.044 HG13 :: 1.160 HG21 :: 0.687 HG22 :: 0.687 HG23 :: 0.687 HD11 :: 0.407 HD12 :: 0.407 HD13 :: 0.407 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 :: 118.276 Ave N Shift Values>> N :: 121.46(4.28) 1.M81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.35 Q 0.12 E 0.07 C Shift Assignments>> CA :: 57.722 CB :: 34.125 CG :: 32.554 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 :: 7.527 HA :: 4.217 HB2 :: 1.935 HB3 :: 2.086 HG2 :: 2.525 HG3 :: 2.525 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 127.488 Ave N Shift Values>> N :: 120.09(3.57) ########################################################################### Overall Results: #Consistent: 79 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 79 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 81 #Suspicious: 0 C Shift Results: #Consistent: 381 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 611 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 77 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R43 HG3 = 0.567(S), Expected = 1.54, Std = 0.2900, ChiSquare = 7.9316e-04 1.K56 HB3 = 0.677(S), Expected = 1.74, Std = 0.2700, ChiSquare = 8.2494e-05