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.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CB :: 38.833 CG1 :: 27.236 CG2 :: 17.729 CD1 :: 12.994 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>> HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 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) 1.K5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E11 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.A13 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 180.627 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) 1.K14 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.986 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 :: 118.085 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.99 C Shift Assignments>> CB :: 38.333 CD1 :: 133.258 CD2 :: 133.258 CE1 :: 118.442 CE2 :: 118.442 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>> HD1 :: 7.154 HD2 :: 7.154 HE1 :: 6.859 HE2 :: 6.859 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) 1.S16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E17 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable C Shift Assignments>> C :: 178.498 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) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.39 I 0.04 C 0.03 HN Overlap>> 1.E60 1.E60 C Shift Assignments>> CA :: 55.374 CB :: 18.425 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.085 HB1 :: 1.350 HB2 :: 1.350 HB3 :: 1.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.689 Ave N Shift Values>> N :: 123.23(3.54) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.82 C 0.17 C Shift Assignments>> C :: 177.450 CA :: 66.812 CB :: 31.269 CG1 :: 23.807 CG2 :: 20.232 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>> HB :: 1.810 HG11 :: 0.399 HG12 :: 0.399 HG13 :: 0.399 HG21 :: -0.092 HG22 :: -0.092 HG23 :: -0.092 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.Y20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 179.914 CA :: 62.330 CB :: 37.182 CD1 :: 133.031 CD2 :: 133.031 CE1 :: 118.015 CE2 :: 118.015 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 :: 8.138 HA :: 4.125 HB2 :: 3.153 HB3 :: 3.261 HD1 :: 7.260 HD2 :: 7.260 HE1 :: 6.831 HE2 :: 6.831 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 :: 116.865 Ave N Shift Values>> N :: 120.52(4.2) 1.I21 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 :: 176.306 CA :: 66.099 CB :: 37.886 CG1 :: 30.468 CG2 :: 16.976 CD1 :: 14.649 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 :: 8.112 HA :: 3.658 HB :: 1.895 HG12 :: 0.939 HG13 :: 0.912 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 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 :: 122.973 Ave N Shift Values>> N :: 121.46(4.28) 1.A22 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 :: 179.987 CA :: 55.184 CB :: 18.934 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.839 HA :: 3.847 HB1 :: 1.321 HB2 :: 1.321 HB3 :: 1.321 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.302 Ave N Shift Values>> N :: 123.23(3.54) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 180.184 CA :: 63.705 CB :: 38.342 CG1 :: 28.789 CG2 :: 18.550 CD1 :: 14.396 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 :: 8.328 HA :: 4.370 HB :: 1.740 HG21 :: 0.966 HG22 :: 0.966 HG23 :: 0.966 HD11 :: 0.634 HD12 :: 0.634 HD13 :: 0.634 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 :: 119.408 Ave N Shift Values>> N :: 121.46(4.28) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.34 K 0.13 M 0.04 C Shift Assignments>> C :: 178.861 CA :: 52.588 CB :: 29.086 CG :: 36.139 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.344 HA :: 3.888 HB2 :: 2.122 HB3 :: 2.082 HG2 :: 2.126 HG3 :: 2.305 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 :: 125.684 Ave N Shift Values>> N :: 120.67(3.48) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.01 C Shift Assignments>> C :: 177.866 CA :: 52.460 CB :: 19.331 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.228 HA :: 4.192 HB1 :: 1.415 HB2 :: 1.415 HB3 :: 1.415 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.589 Ave N Shift Values>> N :: 123.23(3.54) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.18 R 0.06 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.535 CA :: 44.787 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.189 HA2 :: 4.275 HA3 :: 4.101 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.573 Ave N Shift Values>> N :: 109.67(3.87) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 T 0.38 C 0.01 C Shift Assignments>> C :: 176.521 CA :: 66.568 CG2 :: 22.163 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 :: 7.919 HA :: 4.445 HB :: 3.880 HG21 :: 1.090 HG22 :: 1.090 HG23 :: 1.090 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 :: 119.446 Ave N Shift Values>> N :: 115.42(4.75) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 A 0.24 C 0.17 L 0.09 C Shift Assignments>> C :: 173.798 CA :: 52.000 CB :: 46.821 CG :: 26.353 CD1 :: 26.435 CD2 :: 22.483 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 :: 7.026 HA :: 5.013 HB2 :: 1.221 HB3 :: 1.173 HG :: 1.416 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 HD21 :: 0.646 HD22 :: 0.646 HD23 :: 0.646 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 :: 119.632 Ave N Shift Values>> N :: 121.86(3.9) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 A 0.35 C 0.16 K 0.03 C Shift Assignments>> C :: 173.471 CA :: 50.683 CB :: 22.970 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.856 HA :: 4.392 HB1 :: 0.763 HB2 :: 0.763 HB3 :: 0.763 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.053 Ave N Shift Values>> N :: 123.23(3.54) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.44 E 0.09 C Shift Assignments>> C :: 176.292 CA :: 53.461 CB :: 33.135 CG :: 35.421 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 :: 8.244 HA :: 4.799 HB2 :: 2.341 HB3 :: 2.341 HG2 :: 2.456 HG3 :: 1.804 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 :: 119.234 Ave N Shift Values>> N :: 120.67(3.48) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.28 K 0.05 E 0.05 H 0.03 V 0.03 R 0.03 C Shift Assignments>> C :: 175.519 CA :: 61.544 CB :: 28.588 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.586 HA :: 4.312 HB2 :: 3.028 HB3 :: 3.318 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 129.774 Ave N Shift Values>> N :: 120.17(4.64) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.39 I 0.08 M 0.05 K 0.03 C Shift Assignments>> C :: 177.061 CA :: 58.728 CB :: 30.433 CG :: 36.637 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 :: 8.756 HA :: 4.089 HB2 :: 2.077 HB3 :: 2.086 HG2 :: 2.361 HG3 :: 2.419 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 :: 126.867 Ave N Shift Values>> N :: 120.67(3.48) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 176.434 CA :: 64.132 CB :: 33.744 CG1 :: 21.283 CG2 :: 20.108 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 :: 8.935 HA :: 3.818 HB :: 1.408 HG11 :: 0.755 HG12 :: 0.755 HG13 :: 0.755 HG21 :: 0.261 HG22 :: 0.261 HG23 :: 0.261 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 :: 122.528 Ave N Shift Values>> N :: 121.14(4.54) 1.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.54 C 0.45 C Shift Assignments>> C :: 173.077 CA :: 56.635 CB :: 28.789 CD2 :: 118.015 CE1 :: 138.510 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 :: 8.834 HA :: 4.575 HB2 :: 3.098 HB3 :: 3.027 HD2 :: 7.191 HE1 :: 7.870 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 :: 126.015 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.36 K 0.1 I 0.07 M 0.04 C Shift Assignments>> C :: 178.839 CA :: 58.068 CB :: 29.733 CG :: 35.987 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 :: 7.643 HA :: 4.097 HB2 :: 1.926 HB3 :: 1.945 HG2 :: 2.228 HG3 :: 2.305 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 :: 122.059 Ave N Shift Values>> N :: 120.67(3.48) 1.G36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.165 CA :: 44.986 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.615(S) HA2 :: 3.478 HA3 :: 4.116 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.969 Ave N Shift Values>> N :: 109.67(3.87) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.65 C 0.34 C Shift Assignments>> C :: 172.121 CA :: 62.490 CB :: 68.752 CG2 :: 23.606 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 :: 7.669 HA :: 4.466 HB :: 4.463 HG21 :: 1.632 HG22 :: 1.632 HG23 :: 1.632 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.476 Ave N Shift Values>> N :: 115.42(4.75) 1.Y38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.21 G 0.04 C Shift Assignments>> C :: 174.538 CA :: 56.001 CB :: 42.611 CD1 :: 133.031 CD2 :: 133.031 CE1 :: 118.015 CE2 :: 118.015 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 :: 8.622 HA :: 5.635 HB2 :: 2.830 HB3 :: 2.973 HD1 :: 6.919 HD2 :: 6.919 HE1 :: 6.591 HE2 :: 6.591 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 :: 124.951 Ave N Shift Values>> N :: 120.52(4.2) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 F 0.23 C 0.23 C Shift Assignments>> C :: 173.379 CA :: 55.938 CB :: 39.220 CD1 :: 133.030 CD2 :: 133.030 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 :: 8.483 HA :: 5.084 HB2 :: 2.864 HB3 :: 2.875 HD1 :: 6.943 HD2 :: 6.943 HE1 :: 7.047 HE2 :: 7.047 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 115.194 Ave N Shift Values>> N :: 120.45(4.18) 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 :: 173.355 CA :: 60.726 CB :: 63.544 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.519 HA :: 4.341 HB2 :: 3.751 HB3 :: 3.767 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 :: 114.429 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>> N 0.33 D 0.28 L 0.1 F 0.09 Y 0.08 C 0.07 C Shift Assignments>> C :: 176.230 CA :: 53.739 CB :: 39.725 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 :: 8.431 HA :: 4.913 HB2 :: 2.051 HB3 :: 2.760 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 :: 125.551 Ave N Shift Values>> N :: 120.65(3.86) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.229 CA :: 59.770 CB :: 62.951 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.001 HA :: 4.370 HB2 :: 3.770 HB3 :: 4.009 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 :: 114.674 Ave N Shift Values>> N :: 116.28(3.52) 1.G43 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 :: 172.823 CA :: 45.829 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.261 HA2 :: 4.085 HA3 :: 3.804 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.923 Ave N Shift Values>> N :: 109.67(3.87) 1.D44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.31 L 0.12 F 0.08 Y 0.06 C 0.06 HN Overlap>> 1.V75 1.V75 C Shift Assignments>> C :: 176.327 CA :: 53.309 CB :: 40.067 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.583 HA :: 4.741 HB2 :: 2.369 HB3 :: 3.079 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 :: 120.029 Ave N Shift Values>> N :: 120.65(3.86) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 C Shift Assignments>> C :: 177.352 CA :: 64.967 CB :: 37.813 CG1 :: 29.327 CG2 :: 18.537 CD1 :: 13.676 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 :: 8.589 HA :: 3.691 HB :: 1.887 HG12 :: 1.781 HG13 :: 1.768 HG21 :: 1.080 HG22 :: 1.080 HG23 :: 1.080 HD11 :: 0.950 HD12 :: 0.950 HD13 :: 0.950 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 :: 129.584 Ave N Shift Values>> N :: 121.46(4.28) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.116 CA :: 61.744 CB :: 62.502 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.275 HA :: 4.338 HB2 :: 3.983 HB3 :: 3.999 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 :: 117.808 Ave N Shift Values>> N :: 116.28(3.52) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.33 I 0.2 K 0.06 M 0.01 C Shift Assignments>> C :: 178.981 CA :: 59.418 CB :: 29.258 CG :: 36.493 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 :: 7.372 HA :: 4.042 HB2 :: 2.012 HB3 :: 1.976 HG2 :: 2.249 HG3 :: 2.353 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.839 Ave N Shift Values>> N :: 120.67(3.48) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.26 I 0.04 C 0.02 C Shift Assignments>> C :: 178.641 CA :: 55.325 CB :: 17.392 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.925 HA :: 3.861 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 :: 122.935 Ave N Shift Values>> N :: 123.23(3.54) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.32 E 0.24 K 0.04 C Shift Assignments>> C :: 177.879 CA :: 60.322 CB :: 28.868 CG :: 36.488 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 :: 8.288 HA :: 3.613 HB2 :: 2.049 HB3 :: 2.053 HG2 :: 2.291 HG3 :: 2.273 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 :: 118.249 Ave N Shift Values>> N :: 120.67(3.48) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 I 0.2 K 0.09 HN Overlap>> 1.L81 1.L81 C Shift Assignments>> C :: 179.532 CA :: 59.753 CB :: 29.028 CG :: 35.927 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 :: 8.108 HA :: 3.922 HB2 :: 2.019 HB3 :: 2.045 HG3 :: 2.316 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 :: 117.450 Ave N Shift Values>> N :: 120.67(3.48) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.36 R 0.02 HN Overlap>> 1.A76 1.V61 1.A76 1.V61 C Shift Assignments>> C :: 178.285 CA :: 57.438 CB :: 40.766 CG :: 27.533 CD1 :: 22.873 CD2 :: 26.270 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 :: 7.835 HA :: 4.307 HB2 :: 1.696 HB3 :: 1.636 HG :: 1.427 HD11 :: 1.010 HD12 :: 1.010 HD13 :: 1.010 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 :: 120.169 Ave N Shift Values>> N :: 121.86(3.9) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.31 I 0.05 C 0.03 C Shift Assignments>> C :: 178.611 CA :: 55.647 CB :: 18.176 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.286 HA :: 3.795 HB1 :: 1.392 HB2 :: 1.392 HB3 :: 1.392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.167 Ave N Shift Values>> N :: 123.23(3.54) 1.R53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 I 0.22 E 0.12 K 0.09 R 0.08 H 0.08 V 0.06 M 0.01 C Shift Assignments>> C :: 179.136 CA :: 60.608 CB :: 29.520 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 :: 7.957 HA :: 3.727 HB2 :: 1.805 HB3 :: 1.791 HG2 :: 1.376 HG3 :: 1.376 HD2 :: 3.079 HD3 :: 3.079 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 115.092 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.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.37 I 0.12 K 0.07 M 0.03 C Shift Assignments>> C :: 179.159 CA :: 59.418 CB :: 29.888 CG :: 36.015 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.089 HA :: 4.064 HB2 :: 2.191 HB3 :: 2.216 HG2 :: 2.124 HG3 :: 2.380 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 :: 122.263 Ave N Shift Values>> N :: 120.67(3.48) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 K 0.42 R 0.02 C Shift Assignments>> C :: 179.078 CA :: 59.810 CB :: 32.743 CG :: 25.599 CD :: 29.208 CE :: 41.100 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.118 HA :: 3.810 HB2 :: 1.736 HB3 :: 1.607 HG2 :: 1.474 HG3 :: 1.465 HD2 :: 1.328 HD3 :: 1.328 HE2 :: 2.949 HE3 :: 2.949 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 :: 118.511 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 Y 0.34 C Shift Assignments>> CD1 :: 130.937 CD2 :: 130.937 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 :: 8.456 HA :: 3.862 HB2 :: 3.255 HB3 :: 2.971 HD1 :: 6.996 HD2 :: 6.996 HE1 :: 7.372 HE2 :: 7.372 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.918 Ave N Shift Values>> N :: 120.45(4.18) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 K 0.11 I 0.11 M 0.02 C Shift Assignments>> C :: 177.889 CA :: 59.238 CB :: 29.483 CG :: 35.687 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 :: 8.153 HA :: 4.128 HB2 :: 2.261 HB3 :: 2.281 HG2 :: 2.460 HG3 :: 2.453 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.819 Ave N Shift Values>> N :: 120.67(3.48) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 M 0.23 C 0.22 R 0.11 H 0.09 E 0.05 V 0.03 C Shift Assignments>> C :: 176.710 CA :: 56.742 CB :: 33.027 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 :: 7.684 HA :: 4.267 HB2 :: 1.729 HB3 :: 2.026 HG2 :: 1.621 HG3 :: 1.621 HD2 :: 1.499 HD3 :: 1.506 HE3 :: 2.916 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 115.784 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G59 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 :: 175.969 CA :: 46.330 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.644 HA2 :: 3.942 HA3 :: 4.065 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.421 Ave N Shift Values>> N :: 109.67(3.87) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.33 M 0.14 K 0.06 I 0.01 HN Overlap>> 1.A18 1.A18 C Shift Assignments>> C :: 175.359 CA :: 55.533 CB :: 30.356 CG :: 36.097 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 :: 8.008 HA :: 4.339 HB2 :: 2.318 HB3 :: 1.668 HG2 :: 2.150 HG3 :: 2.103 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 :: 117.714 Ave N Shift Values>> N :: 120.67(3.48) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.37 K 0.09 HN Overlap>> 1.L51 1.L51 C Shift Assignments>> C :: 176.175 CA :: 61.267 CB :: 33.686 CG2 :: 23.457 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 :: 7.745 HA :: 4.522 HB :: 2.164 HG11 :: 0.892 HG12 :: 0.892 HG13 :: 0.892 HG21 :: 1.317 HG22 :: 1.317 HG23 :: 1.317 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 :: 120.144 Ave N Shift Values>> N :: 121.14(4.54) 1.S62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 176.781 CA :: 60.796 CB :: 65.061 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 11.396(S) HA :: 4.644 HB2 :: 3.788 HB3 :: 3.756 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 :: 126.283 Ave N Shift Values>> N :: 116.28(3.52) 1.N63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.23 F 0.13 Y 0.12 L 0.12 C 0.08 C Shift Assignments>> C :: 172.632 CA :: 54.586 CB :: 39.772 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 :: 10.333 HA :: 4.732 HB2 :: 2.138 HB3 :: 2.525 HD21 :: 7.193 HD22 :: 7.376 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 :: 118.526 ND2 :: 118.145 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.25 K 0.13 F 0.09 D 0.08 Y 0.06 C 0.05 G 0.01 C Shift Assignments>> C :: 174.310 CA :: 56.626 CB :: 42.883 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 :: 6.971 HA :: 4.866 HB2 :: 2.687 HB3 :: 3.039 HD1 :: 7.164 HD2 :: 7.164 HE1 :: 7.063 HE2 :: 7.063 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 :: 112.992 Ave N Shift Values>> N :: 120.45(4.18) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> D 0.34 L 0.23 N 0.11 K 0.1 F 0.07 Y 0.05 C 0.05 R 0.02 C Shift Assignments>> C :: 175.049 CA :: 53.647 CB :: 41.367 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>> HA :: 4.888 HB2 :: 2.705 HB3 :: 2.866 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) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.25 R 0.1 D 0.07 C 0.04 F 0.01 C Shift Assignments>> C :: 175.858 CA :: 52.663 CB :: 44.261 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 :: 7.413 HA :: 4.861 HB2 :: 2.632 HB3 :: 2.850 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.568 Ave N Shift Values>> N :: 120.65(3.86) 1.V67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 175.173 CA :: 64.211 CB :: 30.848 CG1 :: 19.256 CG2 :: 23.433 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 :: 8.298 HA :: 2.982 HB :: 0.602(S) HG11 :: 0.724 HG12 :: 0.724 HG13 :: 0.724 HG21 :: 0.727 HG22 :: 0.727 HG23 :: 0.727 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.826 Ave N Shift Values>> N :: 121.14(4.54) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.24 K 0.11 I 0.11 R 0.04 HN Overlap>> 1.F91 1.F91 C Shift Assignments>> C :: 180.052 CA :: 57.858 CB :: 27.404 CG :: 35.441 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 :: 7.909 HA :: 4.049 HB2 :: 1.999 HB3 :: 1.988 HG2 :: 2.234 HG3 :: 2.444 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 :: 120.580 Ave N Shift Values>> N :: 120.67(3.48) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.37 I 0.12 K 0.09 M 0.02 C Shift Assignments>> C :: 179.095 CA :: 58.987 CB :: 29.520 CG :: 36.015 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.669 HA :: 3.932 HB2 :: 2.419 HB3 :: 2.238 HG2 :: 2.344 HG3 :: 2.590 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.347 Ave N Shift Values>> N :: 120.67(3.48) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 L 0.06 A 0.02 R 0.02 C Shift Assignments>> C :: 177.014 CA :: 57.479 CB :: 40.244 CG :: 29.327 CD1 :: 26.760 CD2 :: 21.865 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 :: 7.184 HA :: 2.945 HB2 :: 0.569 HB3 :: 1.812 HD11 :: 0.127 HD12 :: 0.127 HD13 :: 0.127 HD21 :: 0.077 HD22 :: 0.077 HD23 :: 0.077 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 :: 120.330 Ave N Shift Values>> N :: 121.86(3.9) 1.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.049 CA :: 67.888 CB :: 31.395 CG1 :: 21.553 CG2 :: 23.976 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 :: 8.262 HA :: 3.070 HB :: 2.011 HG11 :: 0.842 HG12 :: 0.842 HG13 :: 0.842 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.625 Ave N Shift Values>> N :: 121.14(4.54) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.33 R 0.17 C Shift Assignments>> C :: 179.439 CA :: 59.954 CB :: 32.619 CG :: 26.253 CD :: 29.309 CE :: 42.068 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 :: 7.791 HA :: 3.837 HB2 :: 1.833 HB3 :: 1.821 HG2 :: 1.621 HG3 :: 1.611 HD2 :: 1.417 HD3 :: 1.409 HE2 :: 2.941 HE3 :: 2.941 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 :: 116.770 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.49 C Shift Assignments>> C :: 177.539 CA :: 57.324 CB :: 31.906 CG :: 24.581 CD :: 28.949 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 :: 7.796 HA :: 4.216 HB2 :: 1.991 HB3 :: 2.121 HG2 :: 1.786 HG3 :: 1.822 HD2 :: 1.531 HD3 :: 1.559 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 :: 121.221 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.638 CA :: 66.863 CG1 :: 22.517 CG2 :: 23.477 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 :: 8.445 HA :: 3.415 HB :: 2.099 HG11 :: 0.700 HG12 :: 0.700 HG13 :: 0.700 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.691 Ave N Shift Values>> N :: 121.14(4.54) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 1.D44 1.D44 C Shift Assignments>> C :: 177.621 CA :: 67.759 CB :: 29.156 CG1 :: 20.989 CG2 :: 21.880 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 :: 8.521 HA :: 3.352 HB :: 1.981 HG11 :: 0.865 HG12 :: 0.865 HG13 :: 0.865 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 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 :: 120.095 Ave N Shift Values>> N :: 121.14(4.54) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.37 I 0.04 C 0.03 HN Overlap>> 1.L51 1.L51 C Shift Assignments>> C :: 181.968 CA :: 55.481 CB :: 18.395 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.839 HA :: 4.191 HB1 :: 1.580 HB2 :: 1.580 HB3 :: 1.580 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.276 Ave N Shift Values>> N :: 123.23(3.54) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 178.133 CA :: 65.530 CB :: 30.943 CG1 :: 21.152 CG2 :: 19.517 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 :: 8.662 HA :: 4.018 HB :: 1.900 HG11 :: 0.570 HG12 :: 0.570 HG13 :: 0.570 HG21 :: 0.855 HG22 :: 0.855 HG23 :: 0.855 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 :: 114.746 Ave N Shift Values>> N :: 121.14(4.54) 1.C78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.17 V 0.01 C Shift Assignments>> C :: 177.621 CA :: 64.776 CB :: 27.340 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.740 HA :: 3.991 HB2 :: 2.430 HB3 :: 3.126 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.096 Ave N Shift Values>> N :: 120.17(4.64) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 E 0.19 H 0.14 R 0.14 K 0.13 I 0.07 M 0.04 V 0.02 C Shift Assignments>> C :: 179.135 CA :: 58.900 CB :: 29.710 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 :: 8.106 HA :: 4.036 HB2 :: 2.171 HB3 :: 2.010 HG2 :: 2.085 HG3 :: 2.527 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 :: 118.797 Ave N Shift Values>> N :: 120.67(3.48) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 E 0.18 R 0.17 H 0.15 K 0.08 M 0.07 V 0.05 I 0.02 C Shift Assignments>> C :: 177.433 CA :: 58.711 CB :: 30.658 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 :: 8.167 HA :: 3.621 HB2 :: 2.056 HB3 :: 2.056 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 :: 119.483 Ave N Shift Values>> N :: 120.67(3.48) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.25 A 0.13 R 0.03 HN Overlap>> 1.E50 1.E50 C Shift Assignments>> C :: 177.355 CA :: 54.409 CB :: 41.453 CG :: 26.935 CD1 :: 26.435 CD2 :: 22.241 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 :: 8.145 HA :: 4.652 HB2 :: 1.564 HB3 :: 1.783 HG :: 1.805 HD11 :: 0.661 HD12 :: 0.661 HD13 :: 0.661 HD21 :: 0.974 HD22 :: 0.974 HD23 :: 0.974 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 :: 117.475 Ave N Shift Values>> N :: 121.86(3.9) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.1 A 0.04 L 0.04 N 0.01 C Shift Assignments>> C :: 175.024 CA :: 47.639 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.218 HA2 :: 3.612 HA3 :: 4.035 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.498 Ave N Shift Values>> N :: 109.67(3.87) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 L 0.04 C 0.03 M 0.02 C Shift Assignments>> C :: 177.567 CA :: 52.104 CB :: 20.574 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.202 HA :: 4.501 HB1 :: 1.748 HB2 :: 1.748 HB3 :: 1.748 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.068 Ave N Shift Values>> N :: 123.23(3.54) 1.E84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.39 I 0.07 M 0.07 K 0.02 C Shift Assignments>> C :: 175.915 CA :: 58.671 CB :: 30.666 CG :: 36.731 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 :: 9.004 HA :: 4.252 HB2 :: 2.193 HB3 :: 2.061 HG3 :: 2.370 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 :: 118.661 Ave N Shift Values>> N :: 120.67(3.48) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 C 0.34 E 0.05 C Shift Assignments>> C :: 173.815 CA :: 53.657 CB :: 32.364 CG :: 34.211 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 :: 7.318 HA :: 3.881 HG2 :: 1.939 HG3 :: 1.595 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 :: 111.162 Ave N Shift Values>> N :: 120.67(3.48) 1.C86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 E 0.16 K 0.14 I 0.12 H 0.12 R 0.12 V 0.03 M 0.02 C Shift Assignments>> C :: 177.088 CA :: 59.470 CB :: 29.441 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.035 HA :: 4.078 HB2 :: 2.644 HB3 :: 2.783 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 :: 122.106 Ave N Shift Values>> N :: 120.17(4.64) 1.F87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 F 0.27 C 0.24 C Shift Assignments>> C :: 176.921 CA :: 59.597 CB :: 38.939 CD1 :: 132.965 CD2 :: 132.965 CE1 :: 131.496 CE2 :: 131.496 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 :: 8.292 HA :: 4.492 HB2 :: 3.218 HB3 :: 3.184 HD1 :: 6.961 HD2 :: 6.961 HE1 :: 7.286 HE2 :: 7.286 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 :: 129.406 Ave N Shift Values>> N :: 120.45(4.18) 1.S88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.940 CA :: 60.832 CB :: 62.143 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.436 HA :: 4.131 HB2 :: 2.430(S) HB3 :: 2.651(S) Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.356 Ave N Shift Values>> N :: 116.28(3.52) 1.C89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.45 C 0.28 I 0.22 R 0.01 C Shift Assignments>> C :: 174.660 CA :: 63.763 CB :: 30.435 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.699 HA :: 4.113 HB2 :: 2.725 HB3 :: 2.783 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 :: 125.476 Ave N Shift Values>> N :: 120.17(4.64) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.27 K 0.15 R 0.07 F 0.06 N 0.05 C 0.04 Y 0.04 C Shift Assignments>> C :: 175.429 CA :: 54.042 CB :: 42.007 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 :: 7.569 HA :: 4.517 HB2 :: 2.957 HB3 :: 2.990 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.756 Ave N Shift Values>> N :: 120.65(3.86) 1.F91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.46 F 0.29 C 0.23 HN Overlap>> 1.E68 1.E68 C Shift Assignments>> C :: 174.893 CA :: 57.260 CB :: 39.545 CD1 :: 131.637 CD2 :: 131.637 CE1 :: 133.133 CE2 :: 133.133 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 :: 7.910 HA :: 4.629 HB2 :: 2.934 HB3 :: 3.234 HD1 :: 7.230 HD2 :: 7.230 HE1 :: 7.073 HE2 :: 7.073 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 :: 120.531 Ave N Shift Values>> N :: 120.45(4.18) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.21 D 0.14 R 0.12 F 0.1 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 180.884 CA :: 56.061 CB :: 42.168 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 :: 7.971 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.836 Ave N Shift Values>> N :: 120.65(3.86) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 88 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 77 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 15 Shift Relative Order (SRO) Results: #Consistent: 92 #Suspicious: 0 C Shift Results: #Consistent: 307 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 472 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 75 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.G36 H = 10.615(S), Expected = 8.33, Std = 0.6500, ChiSquare = 4.3912e-04 1.S62 H = 11.396(S), Expected = 8.28, Std = 0.5900, ChiSquare = 1.2823e-07 1.V67 HB = 0.602(S), Expected = 1.98, Std = 0.3200, ChiSquare = 1.6605e-05 1.S88 HB2 = 2.430(S), Expected = 3.88, Std = 0.2500, ChiSquare = 6.6315e-09 1.S88 HB3 = 2.651(S), Expected = 3.85, Std = 0.2700, ChiSquare = 8.9650e-06