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.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 C 0.36 Q 0.09 C Shift Assignments>> C :: 175.826 CA :: 55.375 CB :: 32.392 CG :: 32.376 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 :: 7.973 HA :: 4.435 HB2 :: 2.011 HB3 :: 2.011 HG2 :: 2.570 HG3 :: 2.475 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 :: 118.186 Ave N Shift Values>> N :: 120.09(3.57) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.14 F 0.08 N 0.07 Y 0.06 C 0.05 R 0.03 HN Overlap>> 1.A22 1.A22 C Shift Assignments>> C :: 177.130 CA :: 54.280 CB :: 41.538 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 :: 7.976 HA :: 4.587 HB2 :: 2.714 HB3 :: 2.869 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 :: 121.227 Ave N Shift Values>> N :: 120.65(3.86) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 C 0.19 F 0.18 N 0.15 E 0.07 D 0.07 I 0.04 L 0.03 M 0.02 C Shift Assignments>> C :: 177.702 CA :: 56.000 CB :: 38.099 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 :: 8.778 HA :: 4.633 HB2 :: 2.847 HB3 :: 2.935 HD21 :: 7.832 HD22 :: 6.828 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.490 ND2 :: 111.380 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.41 R 0.07 C Shift Assignments>> C :: 178.274 CA :: 60.292 CB :: 31.454 CG :: 25.447 CD :: 29.166 CE :: 41.715 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 :: 8.445 HA :: 3.929 HB2 :: 1.980 HB3 :: 2.050 HG2 :: 1.490 HG3 :: 1.597 HD2 :: 1.867 HD3 :: 1.868 HE2 :: 3.112 HE3 :: 3.112 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 :: 122.962 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.23 R 0.22 C Shift Assignments>> C :: 178.810 CA :: 60.192 CB :: 32.627 CG :: 26.853 CD :: 29.166 CE :: 42.116 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 :: 7.758 HA :: 3.833 HB2 :: 1.746 HB3 :: 2.006 HG2 :: 1.424 HG3 :: 1.424 HD2 :: 1.706 HD3 :: 1.706 HE2 :: 3.100 HE3 :: 3.100 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 :: 118.748 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.39 R 0.09 C Shift Assignments>> C :: 178.828 CA :: 60.894 CB :: 30.438 CG :: 28.680 CD :: 44.526 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 :: 8.136 HA :: 4.074 HB2 :: 2.146 HB3 :: 2.146 HG2 :: 1.738 HG3 :: 1.758 HD2 :: 3.298 HD3 :: 3.294 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 :: 116.501 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.L21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.66 L 0.29 A 0.04 C Shift Assignments>> C :: 177.363 CA :: 57.296 CB :: 39.733 CG :: 26.441 CD1 :: 21.671 CD2 :: 24.984 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.940 HA :: 2.981 HB2 :: 1.321 HB3 :: 0.424 HG :: 0.576 HD11 :: 0.082 HD12 :: 0.082 HD13 :: 0.082 HD21 :: -0.313(S) HD22 :: -0.313(S) HD23 :: -0.313(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.996 Ave N Shift Values>> N :: 121.86(3.9) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.75 A 0.14 I 0.07 C 0.02 HN Overlap>> 1.D16 1.D16 C Shift Assignments>> C :: 178.971 CA :: 56.000 CB :: 16.999 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.962 HA :: 3.437 HB1 :: 0.859 HB2 :: 0.859 HB3 :: 0.859 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.227 Ave N Shift Values>> N :: 123.23(3.54) 1.Y23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.7 C 0.29 C Shift Assignments>> C :: 175.844 CA :: 62.702 CB :: 38.830 CD1 :: 133.335 CD2 :: 133.335 CE1 :: 118.025 CE2 :: 118.025 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 :: 8.302 HA :: 3.699 HB2 :: 2.946 HB3 :: 3.046 HD1 :: 6.940 HD2 :: 6.940 HE1 :: 6.681 HE2 :: 6.681 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 :: 117.019 Ave N Shift Values>> N :: 120.52(4.2) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.4 C 0.03 I 0.02 C Shift Assignments>> C :: 181.509 CA :: 55.062 CB :: 18.790 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.979 HA :: 4.114 HB1 :: 1.659 HB2 :: 1.659 HB3 :: 1.659 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.551 Ave N Shift Values>> N :: 123.23(3.54) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 177.059 CA :: 66.241 CB :: 38.200 CG1 :: 29.520 CG2 :: 17.816 CD1 :: 14.903 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 :: 3.537 HB :: 1.976 HG12 :: 0.472 HG13 :: 0.472 HG21 :: 0.814 HG22 :: 0.814 HG23 :: 0.814 HD11 :: 0.613 HD12 :: 0.613 HD13 :: 0.613 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 :: 119.375 Ave N Shift Values>> N :: 121.46(4.28) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 177.595 CA :: 67.123 CB :: 38.100 CG1 :: 30.769 CG2 :: 18.418 CD1 :: 14.602 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 :: 8.382 HA :: 3.456 HB :: 1.808 HG12 :: 1.656 HG13 :: 1.048 HG21 :: 0.870 HG22 :: 0.870 HG23 :: 0.870 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 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 :: 120.990 Ave N Shift Values>> N :: 121.46(4.28) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.24 Q 0.22 R 0.06 E 0.04 I 0.03 M 0.01 C Shift Assignments>> C :: 178.417 CA :: 59.518 CB :: 28.405 CG :: 33.681 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 :: 8.718 HA :: 3.925 HB2 :: 1.712 HB3 :: 2.089 HG2 :: 2.261 HG3 :: 1.937 HE21 :: 6.938 HE22 :: 6.801 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.674 NE2 :: 112.000 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 176.916 CA :: 59.991 CB :: 39.305 CD1 :: 132.242 CD2 :: 132.242 CE1 :: 131.148 CE2 :: 131.148 CZ :: 129.508 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 :: 7.656 HA :: 4.749 HB2 :: 3.330 HB3 :: 3.380 HD1 :: 7.180 HD2 :: 7.180 HE1 :: 6.955 HE2 :: 6.955 HZ :: 6.840 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 :: 120.724 Ave N Shift Values>> N :: 120.45(4.18) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 L 0.18 R 0.03 A 0.01 C Shift Assignments>> C :: 178.703 CA :: 58.033 CB :: 40.911 CG :: 27.219 CD1 :: 22.255 CD2 :: 27.219 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 :: 8.531 HA :: 3.517 HB2 :: 1.155 HB3 :: 1.937 HG :: 0.803 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 HD21 :: 0.581 HD22 :: 0.581 HD23 :: 0.581 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 :: 118.987 Ave N Shift Values>> N :: 121.86(3.9) 1.H30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 H 0.42 C Shift Assignments>> C :: 177.613 CA :: 60.493 CB :: 29.866 CD2 :: 119.666 CE1 :: 137.163 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.741 HA :: 3.953 HB2 :: 3.127 HB3 :: 3.125 HD2 :: 7.162 HE1 :: 8.366 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.717 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.21 Y 0.17 L 0.14 C 0.09 D 0.08 I 0.03 R 0.03 C Shift Assignments>> C :: 179.007 CA :: 57.798 CB :: 41.414 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 :: 8.314 HA :: 4.361 HB2 :: 2.808 HB3 :: 2.928 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 :: 120.434 Ave N Shift Values>> N :: 120.65(3.86) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.24 K 0.21 E 0.18 I 0.03 R 0.03 C Shift Assignments>> C :: 178.417 CA :: 57.485 CB :: 28.500 CG :: 34.786 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 :: 8.054 HA :: 3.666 HB2 :: 1.885 HB3 :: 1.884 HG2 :: 1.885 HG3 :: 1.454 HE21 :: 7.063 HE22 :: 6.987 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.070 NE2 :: 114.810 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.41 R 0.05 G 0.01 C Shift Assignments>> C :: 177.863 CA :: 58.183 CB :: 42.164 CG :: 26.954 CD1 :: 25.347 CD2 :: 25.347 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 :: 7.928 HA :: 3.772 HB2 :: 1.678 HB3 :: 1.677 HG :: 1.488 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 HD21 :: 0.815 HD22 :: 0.815 HD23 :: 0.815 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 :: 120.749 Ave N Shift Values>> N :: 121.86(3.9) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.41 K 0.08 G 0.03 C Shift Assignments>> C :: 178.292 CA :: 57.279 CB :: 30.672 CG :: 27.054 CD :: 42.920 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 :: 7.426 HA :: 4.035 HB2 :: 1.307 HB3 :: 1.370 HG2 :: 1.315 HG3 :: 1.315 HD2 :: 2.998 HD3 :: 2.998 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 :: 114.680 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.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.58 C 0.41 C Shift Assignments>> C :: 176.022 CA :: 55.773 CB :: 30.368 CD2 :: 120.759 CE1 :: 136.616 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.170 HA :: 4.910 HB2 :: 3.048 HB3 :: 3.342 HD2 :: 7.270 HE1 :: 8.392 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 114.239 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 174.289 CA :: 45.916 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.004 HA2 :: 3.817 HA3 :: 4.015 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.930 Ave N Shift Values>> N :: 109.67(3.87) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 175.021 CA :: 46.355 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.462 HA2 :: 3.757 HA3 :: 3.832 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.713 Ave N Shift Values>> N :: 109.67(3.87) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.24 R 0.17 A 0.09 G 0.06 C Shift Assignments>> C :: 177.684 CA :: 54.066 CB :: 43.024 CG :: 27.122 CD1 :: 22.736 CD2 :: 26.343 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 :: 8.098 HA :: 4.346 HB2 :: 1.480 HB3 :: 1.678 HG :: 1.417 HD11 :: 0.663 HD12 :: 0.663 HD13 :: 0.663 HD21 :: 0.563 HD22 :: 0.563 HD23 :: 0.563 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 :: 119.422 Ave N Shift Values>> N :: 121.86(3.9) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.093 CA :: 57.876 CB :: 64.409 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.550 HA :: 4.386 HB2 :: 4.032 HB3 :: 4.320 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 :: 117.108 Ave N Shift Values>> N :: 116.28(3.52) 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 :: 176.773 CA :: 62.300 CB :: 62.356 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.907 HA :: 3.890 HB2 :: 4.050 HB3 :: 4.054 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 :: 117.332 Ave N Shift Values>> N :: 116.28(3.52) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 D 0.13 L 0.12 C 0.11 I 0.04 N 0.03 K 0.02 C Shift Assignments>> C :: 178.471 CA :: 56.978 CB :: 40.131 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 :: 8.333 HA :: 4.368 HB2 :: 2.590 HB3 :: 2.470 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 :: 120.010 Ave N Shift Values>> N :: 120.65(3.86) 1.A42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.34 C 0.05 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 179.221 CA :: 55.184 CB :: 19.221 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.666 HA :: 3.842 HB1 :: 1.451 HB2 :: 1.451 HB3 :: 1.451 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.527 Ave N Shift Values>> N :: 123.23(3.54) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.18 Q 0.18 E 0.1 I 0.08 R 0.03 C Shift Assignments>> C :: 177.756 CA :: 59.909 CB :: 28.405 CG :: 34.485 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 :: 8.399 HA :: 3.606 HB2 :: 2.023 HB3 :: 2.126 HG2 :: 2.407 HG3 :: 2.407 HE21 :: 7.172 HE22 :: 6.680 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.454 NE2 :: 111.380 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.28 I 0.24 K 0.07 Q 0.03 HN Overlap>> 1.E62 1.E62 C Shift Assignments>> C :: 179.150 CA :: 59.689 CB :: 28.680 CG :: 36.192 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 :: 7.852 HA :: 4.024 HB2 :: 2.111 HB3 :: 2.111 HG2 :: 2.424 HG3 :: 2.238 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.355 Ave N Shift Values>> N :: 120.67(3.48) 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 :: 176.362 CA :: 63.329 CB :: 63.232 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.661 HA :: 3.950 HB2 :: 3.950 HB3 :: 3.950 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 :: 114.328 Ave N Shift Values>> N :: 116.28(3.52) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.41 R 0.01 C Shift Assignments>> C :: 178.203 CA :: 58.111 CB :: 41.616 CG :: 26.927 CD1 :: 24.700 CD2 :: 24.700 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 :: 8.155 HA :: 3.903 HB2 :: 1.186 HB3 :: 1.864 HG :: 1.574 HD11 :: 0.560 HD12 :: 0.560 HD13 :: 0.560 HD21 :: 0.560 HD22 :: 0.560 HD23 :: 0.560 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 :: 121.812 Ave N Shift Values>> N :: 121.86(3.9) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.34 E 0.23 K 0.02 C Shift Assignments>> C :: 179.918 CA :: 60.534 CB :: 29.265 CG :: 36.794 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 :: 8.115 HA :: 3.850 HB2 :: 2.006 HB3 :: 2.187 HG2 :: 2.445 HG3 :: 2.445 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 :: 119.194 Ave N Shift Values>> N :: 120.67(3.48) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 178.560 CA :: 66.618 CB :: 31.974 CG1 :: 22.535 CG2 :: 22.535 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 :: 7.669 HA :: 3.651 HB :: 2.302 HG11 :: 1.022 HG12 :: 1.022 HG13 :: 1.022 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 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 :: 120.187 Ave N Shift Values>> N :: 121.14(4.54) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.19 I 0.1 C 0.04 V 0.01 C Shift Assignments>> C :: 179.328 CA :: 56.376 CB :: 18.217 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.363 HA :: 3.772 HB1 :: 1.440 HB2 :: 1.440 HB3 :: 1.440 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.049 Ave N Shift Values>> N :: 123.23(3.54) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 177.095 CA :: 67.257 CB :: 38.602 CG1 :: 31.874 CG2 :: 17.514 CD1 :: 13.397 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 :: 8.446 HA :: 3.350 HB :: 1.833 HG12 :: 0.686 HG13 :: 0.686 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 HD11 :: 0.458 HD12 :: 0.458 HD13 :: 0.458 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 :: 116.538 Ave N Shift Values>> N :: 121.46(4.28) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.23 K 0.23 E 0.07 R 0.05 I 0.03 M 0.01 C Shift Assignments>> C :: 179.704 CA :: 59.096 CB :: 28.395 CG :: 34.083 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 :: 7.336 HA :: 4.180 HB2 :: 2.264 HB3 :: 2.264 HG2 :: 2.532 HG3 :: 2.428 HE21 :: 7.318 HE22 :: 6.723 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.646 NE2 :: 111.380 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.43 I 0.42 C 0.1 V 0.01 C Shift Assignments>> C :: 177.148 CA :: 64.208 CB :: 28.000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.497 HA :: 4.119 HB2 :: 2.920 HB3 :: 3.160 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 :: 117.700 Ave N Shift Values>> N :: 120.17(4.64) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.41 R 0.01 C Shift Assignments>> C :: 178.917 CA :: 58.424 CB :: 41.929 CG :: 26.830 CD1 :: 24.644 CD2 :: 24.644 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 :: 8.453 HA :: 4.006 HB2 :: 1.298 HB3 :: 2.042 HG :: 0.780 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 HD21 :: 0.846 HD22 :: 0.846 HD23 :: 0.846 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 :: 120.202 Ave N Shift Values>> N :: 121.86(3.9) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 I 0.28 E 0.27 K 0.02 C Shift Assignments>> C :: 180.740 CA :: 59.831 CB :: 29.464 CG :: 37.096 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 :: 8.582 HA :: 4.407 HB2 :: 2.037 HB3 :: 2.354 HG2 :: 2.834 HG3 :: 2.486 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 :: 120.210 Ave N Shift Values>> N :: 120.67(3.48) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 176.594 CA :: 65.815 CB :: 68.827 CG2 :: 22.255 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 :: 7.845 HA :: 3.938 HB :: 4.233 HG21 :: 1.143 HG22 :: 1.143 HG23 :: 1.143 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 :: 114.490 Ave N Shift Values>> N :: 115.42(4.75) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.5 M 0.39 C 0.04 I 0.02 V 0.01 C Shift Assignments>> C :: 178.274 CA :: 55.218 CB :: 18.947 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.355 HA :: 3.851 HB1 :: 0.979 HB2 :: 0.979 HB3 :: 0.979 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.339 Ave N Shift Values>> N :: 123.23(3.54) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> C :: 176.344 CA :: 58.033 CB :: 40.234 CD1 :: 131.695 CD2 :: 131.695 CE1 :: 130.055 CE2 :: 130.055 CZ :: 128.414 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 :: 8.035 HA :: 4.723 HB2 :: 2.799 HB3 :: 3.155 HD1 :: 7.413 HD2 :: 7.413 HE1 :: 7.118 HE2 :: 7.118 HZ :: 6.726 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 :: 109.086 Ave N Shift Values>> N :: 120.45(4.18) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.04 A 0.03 P 0.02 C Shift Assignments>> C :: 174.217 CA :: 47.479 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.863 HA2 :: 3.923 HA3 :: 3.923 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.173 Ave N Shift Values>> N :: 109.67(3.87) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.22 C Shift Assignments>> C :: 173.467 CA :: 59.288 CB :: 36.020 CG1 :: 22.435 CG2 :: 20.226 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 :: 7.360 HA :: 4.720 HB :: 1.990 HG11 :: 1.015 HG12 :: 1.015 HG13 :: 1.015 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 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 :: 113.562 Ave N Shift Values>> N :: 121.14(4.54) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 T 0.4 C Shift Assignments>> C :: 176.022 CA :: 59.589 CB :: 73.346 CG2 :: 21.330 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 :: 8.724 HA :: 4.998 HB :: 4.420 HG21 :: 1.068 HG22 :: 1.068 HG23 :: 1.068 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 :: 110.753 Ave N Shift Values>> N :: 115.42(4.75) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.83 C 0.16 C Shift Assignments>> C :: 176.129 CA :: 64.409 CB :: 32.276 CG1 :: 20.828 CG2 :: 20.828 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 :: 8.351 HA :: 3.782 HB :: 1.920 HG11 :: 0.707 HG12 :: 0.707 HG13 :: 0.707 HG21 :: 0.656 HG22 :: 0.656 HG23 :: 0.656 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 :: 117.190 Ave N Shift Values>> N :: 121.14(4.54) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.36 I 0.08 K 0.07 Q 0.02 M 0.02 HN Overlap>> 1.E44 1.E44 C Shift Assignments>> C :: 177.649 CA :: 56.978 CB :: 29.364 CG :: 36.794 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 :: 7.913 HA :: 4.285 HB2 :: 2.147 HB3 :: 1.742 HG2 :: 2.228 HG3 :: 2.228 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.377 Ave N Shift Values>> N :: 120.67(3.48) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 N 0.23 F 0.14 Y 0.14 L 0.11 C 0.09 I 0.01 C Shift Assignments>> C :: 175.522 CA :: 54.828 CB :: 39.584 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 :: 7.779 HA :: 4.860 HB2 :: 2.772 HB3 :: 2.912 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 :: 123.590 Ave N Shift Values>> N :: 120.65(3.86) 1.S64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.522 CA :: 60.593 CB :: 63.270 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.063 HA :: 3.817 HB2 :: 3.955 HB3 :: 3.955 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 :: 114.600 Ave N Shift Values>> N :: 116.28(3.52) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 D 0.2 Y 0.19 N 0.12 L 0.11 C 0.11 I 0.02 C Shift Assignments>> C :: 176.737 CA :: 55.844 CB :: 39.706 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 :: 8.747 HA :: 4.355 HB2 :: 2.475 HB3 :: 2.593 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 :: 121.842 Ave N Shift Values>> N :: 120.65(3.86) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.34 R 0.12 A 0.07 C Shift Assignments>> C :: 177.077 CA :: 54.669 CB :: 41.916 CG :: 26.954 CD1 :: 22.836 CD2 :: 26.954 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 :: 7.604 HA :: 4.042 HB2 :: 1.255 HB3 :: 1.255 HG :: 1.523 HD11 :: 0.681 HD12 :: 0.681 HD13 :: 0.681 HD21 :: 0.908 HD22 :: 0.908 HD23 :: 0.908 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 :: 117.138 Ave N Shift Values>> N :: 121.86(3.9) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.07 C 0.03 L 0.03 C Shift Assignments>> C :: 177.827 CA :: 53.264 CB :: 20.041 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.052 HA :: 4.178 HB1 :: 1.502 HB2 :: 1.502 HB3 :: 1.502 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.449 Ave N Shift Values>> N :: 123.23(3.54) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.16 A 0.14 R 0.06 G 0.01 C Shift Assignments>> C :: 176.183 CA :: 52.639 CB :: 42.007 CG :: 27.154 CD1 :: 26.351 CD2 :: 22.636 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 :: 8.531 HA :: 4.769 HB2 :: 1.603 HB3 :: 1.929 HG :: 1.846 HD11 :: 0.486 HD12 :: 0.486 HD13 :: 0.486 HD21 :: 0.768 HD22 :: 0.768 HD23 :: 0.768 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 :: 122.450 Ave N Shift Values>> N :: 121.86(3.9) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 176.594 CA :: 64.365 CB :: 31.845 CG :: 27.656 CD :: 50.451 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 :: 4.320 HB2 :: 1.902 HB3 :: 2.320 HG2 :: 1.990 HG3 :: 1.927 HD2 :: 3.720 HD3 :: 3.650 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.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.33 Q 0.1 E 0.08 C Shift Assignments>> C :: 174.968 CA :: 54.437 CB :: 32.577 CG :: 34.686 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 :: 6.746 HA :: 4.633 HB2 :: 1.752 HB3 :: 1.968 HG2 :: 2.257 HG3 :: 2.121 HE21 :: 7.341 HE22 :: 6.535 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 113.440 NE2 :: 110.440 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.18 C Shift Assignments>> C :: 175.450 CA :: 60.894 CB :: 71.166 CG2 :: 22.133 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 :: 8.428 HA :: 4.386 HB :: 4.581 HG21 :: 1.350 HG22 :: 1.350 HG23 :: 1.350 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 :: 110.884 Ave N Shift Values>> N :: 115.42(4.75) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 L 0.28 C Shift Assignments>> C :: 175.057 CA :: 58.886 CB :: 39.907 CG :: 26.652 CD1 :: 22.535 CD2 :: 22.535 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 :: 9.142 HA :: 4.317 HB2 :: 1.620 HB3 :: 1.451 HG :: 0.572 HD11 :: 0.800 HD12 :: 0.800 HD13 :: 0.800 HD21 :: 0.800 HD22 :: 0.800 HD23 :: 0.800 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 :: 119.613 Ave N Shift Values>> N :: 121.86(3.9) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.46 G 0.01 C Shift Assignments>> C :: 178.453 CA :: 66.710 CB :: 30.751 CG :: 29.250 CD :: 49.748 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 :: 4.015 HB2 :: 1.799 HB3 :: 2.158 HG2 :: 2.340 HG3 :: 1.710 HD2 :: 4.040 HD3 :: 3.350 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.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.29 I 0.21 M 0.01 K 0.01 C Shift Assignments>> C :: 179.722 CA :: 59.518 CB :: 30.001 CG :: 37.296 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.973 HA :: 3.998 HB2 :: 1.961 HB3 :: 2.308 HG2 :: 2.218 HG3 :: 2.218 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 :: 117.145 Ave N Shift Values>> N :: 120.67(3.48) 1.I75 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 :: 178.292 CA :: 64.710 CB :: 39.000 CG1 :: 28.874 CG2 :: 17.313 CD1 :: 14.501 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 :: 8.035 HA :: 3.590 HB :: 1.826 HG12 :: 0.875 HG13 :: 1.580 HG21 :: 0.680 HG22 :: 0.680 HG23 :: 0.680 HD11 :: 0.596 HD12 :: 0.596 HD13 :: 0.596 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 :: 120.314 Ave N Shift Values>> N :: 121.46(4.28) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 Y 0.32 C 0.13 C Shift Assignments>> C :: 176.290 CA :: 62.645 CB :: 40.811 CD1 :: 131.695 CD2 :: 131.695 CE1 :: 131.148 CE2 :: 131.148 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 :: 8.789 HA :: 3.749 HB2 :: 2.716 HB3 :: 2.956 HD1 :: 6.857 HD2 :: 6.857 HE1 :: 7.059 HE2 :: 7.059 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 :: 121.192 Ave N Shift Values>> N :: 120.45(4.18) 1.E77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.14 K 0.08 Q 0.05 M 0.01 C Shift Assignments>> C :: 178.774 CA :: 59.100 CB :: 29.298 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 :: 8.396 HA :: 3.755 HB2 :: 1.990 HB3 :: 2.170 HG2 :: 2.325 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 :: 117.924 Ave N Shift Values>> N :: 120.67(3.48) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.47 I 0.02 C 0.02 C Shift Assignments>> C :: 179.203 CA :: 54.568 CB :: 18.016 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.238 HA :: 4.030 HB1 :: 1.358 HB2 :: 1.358 HB3 :: 1.358 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.676 Ave N Shift Values>> N :: 123.23(3.54) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.17 C 0.02 C Shift Assignments>> C :: 178.757 CA :: 53.464 CB :: 19.121 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.208 HA :: 4.095 HB1 :: 1.177 HB2 :: 1.177 HB3 :: 1.177 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.815 Ave N Shift Values>> N :: 123.23(3.54) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.18 C 0.01 C Shift Assignments>> C :: 178.060 CA :: 53.208 CB :: 18.849 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.893 HA :: 3.963 HB1 :: 1.085 HB2 :: 1.085 HB3 :: 1.085 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.921 Ave N Shift Values>> N :: 123.23(3.54) 1.T81 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 :: 175.272 CA :: 62.802 CB :: 69.832 CG2 :: 21.431 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 :: 7.511 HA :: 4.220 HB :: 4.201 HG21 :: 1.186 HG22 :: 1.186 HG23 :: 1.186 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.532 Ave N Shift Values>> N :: 115.42(4.75) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 173.216 CA :: 45.760 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.068 HA2 :: 3.871 HA3 :: 3.877 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.737 Ave N Shift Values>> N :: 109.67(3.87) 1.K83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.44 R 0.07 C Shift Assignments>> C :: 181.223 CA :: 57.179 CB :: 33.882 CG :: 24.845 CD :: 28.861 CE :: 42.016 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 :: 7.721 HA :: 4.146 HB2 :: 1.584 HB3 :: 1.781 HG2 :: 1.298 HG3 :: 1.298 HD2 :: 1.600 HD3 :: 1.600 HE2 :: 2.920 HE3 :: 2.920 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 :: 125.680 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 82 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 69 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 14 Shift Relative Order (SRO) Results: #Consistent: 83 #Suspicious: 0 C Shift Results: #Consistent: 303 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 482 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 73 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L21 HD21 = -0.313(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.2246e-04 1.L21 HD22 = -0.313(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.2246e-04 1.L21 HD23 = -0.313(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.2246e-04