Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.23 T 0.18 V 0.17 C 0.09 S 0.05 F 0.05 Y 0.05 P 0.04 W 0.04 E 0.01 R 0.01 K 0.01 H 0.01 C Shift Assignments>> CA :: 61.270 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 :: 4.701 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.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.688 CA :: 62.962 CB :: 32.074 CG :: 27.447 CD :: 50.403 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 :: 4.383 HB2 :: 2.300 HB3 :: 1.929 HG2 :: 2.031 HG3 :: 2.031 HD2 :: 3.806 HD3 :: 3.625 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.A6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.06 C 0.02 L 0.01 C Shift Assignments>> C :: 177.331 CA :: 52.350 CB :: 19.704 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.318 HA :: 4.311 HB1 :: 1.377 HB2 :: 1.377 HB3 :: 1.377 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.897 Ave N Shift Values>> N :: 123.23(3.54) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.1 N 0.1 F 0.1 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.S81 1.S81 C Shift Assignments>> C :: 174.393 CA :: 54.458 CB :: 41.096 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 :: 8.423 HA :: 4.570 HB2 :: 2.704 HB3 :: 2.589 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 :: 119.485 Ave N Shift Values>> N :: 120.65(3.86) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 176.118 CA :: 59.286 CB :: 40.006 CG1 :: 27.151 CG2 :: 18.050 CD1 :: 12.387 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.543 HA :: 4.908 HB :: 1.695 HG12 :: 1.411 HG13 :: 1.114 HG21 :: 0.717 HG22 :: 0.717 HG23 :: 0.717 HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 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 :: 119.151 Ave N Shift Values>> N :: 121.46(4.28) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.45 C Shift Assignments>> C :: 173.866 CA :: 60.211 CB :: 34.825 CG1 :: 21.409 CG2 :: 20.337 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 :: 8.610 HA :: 4.588 HB :: 1.783 HG11 :: 0.781 HG12 :: 0.781 HG13 :: 0.781 HG21 :: 0.807 HG22 :: 0.807 HG23 :: 0.807 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 :: 123.897 Ave N Shift Values>> N :: 121.14(4.54) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.36 R 0.16 C Shift Assignments>> C :: 175.548 CA :: 55.912 CB :: 33.440 CG :: 25.500 CD :: 29.537 CE :: 41.953 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 :: 8.679 HA :: 4.925 HB2 :: 1.807 HB3 :: 1.647 HG2 :: 1.344 HG3 :: 1.250 HD2 :: 1.605 HD3 :: 1.605 HE2 :: 2.867 HE3 :: 2.867 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 :: 126.799 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.1 A 0.01 C Shift Assignments>> C :: 174.046 CA :: 58.694 CB :: 35.486 CG1 :: 22.552 CG2 :: 18.587 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 :: 8.681 HA :: 4.979 HB :: 2.257 HG11 :: 0.770 HG12 :: 0.770 HG13 :: 0.770 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 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 :: 116.937 Ave N Shift Values>> N :: 121.14(4.54) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 L 0.16 C 0.09 HN Overlap>> 1.L108 1.L108 C Shift Assignments>> C :: 175.918 CA :: 50.323 CB :: 21.981 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.160 HA :: 5.365 HB1 :: 1.280 HB2 :: 1.280 HB3 :: 1.280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.526 Ave N Shift Values>> N :: 123.23(3.54) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 C Shift Assignments>> C :: 175.395 CA :: 59.576 CB :: 39.550 CG1 :: 27.975 CG2 :: 18.524 CD1 :: 13.736 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.112 HA :: 4.973 HB :: 1.894 HG12 :: 1.491 HG13 :: 1.065 HG21 :: 1.003 HG22 :: 1.003 HG23 :: 1.003 HD11 :: 0.686 HD12 :: 0.686 HD13 :: 0.686 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 :: 120.470 Ave N Shift Values>> N :: 121.46(4.28) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.27 E 0.18 C Shift Assignments>> C :: 175.128 CA :: 55.236 CB :: 33.101 CG :: 36.459 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 :: 9.101 HA :: 4.879 HB2 :: 1.942 HB3 :: 1.942 HG2 :: 2.271 HG3 :: 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 :: 125.467 Ave N Shift Values>> N :: 120.67(3.48) 1.W15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.63 C 0.36 C Shift Assignments>> C :: 173.281 CA :: 53.467 CB :: 32.548 CD1 :: 126.816 CE3 :: 122.164 CZ2 :: 114.597 CZ3 :: 121.064 CH2 :: 124.165 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.427 HA :: 5.182 HB2 :: 2.538 HB3 :: 1.621(S) HD1 :: 6.213 HE1 :: 9.777 HE3 :: 7.465 HZ2 :: 7.421 HZ3 :: 6.887 HH2 :: 7.226 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.005 NE1 :: 127.695 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.868 CA :: 64.114 CB :: 31.211 CG :: 27.322 CD :: 51.252 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 :: 3.977 HB2 :: 1.968 HB3 :: 1.369 HG2 :: 1.575 HG3 :: 1.575 HD2 :: 3.575 HD3 :: 2.520 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.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.14 C 0.03 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.128 CA :: 45.004 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.877 HA2 :: 3.782 HA3 :: 3.489 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.418 Ave N Shift Values>> N :: 109.67(3.87) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 L 0.08 C 0.06 C Shift Assignments>> C :: 177.309 CA :: 50.276 CB :: 21.501 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.054 HA :: 4.644 HB1 :: 1.132 HB2 :: 1.132 HB3 :: 1.132 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.810 Ave N Shift Values>> N :: 123.23(3.54) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 174.404 CA :: 56.610 CB :: 37.442 CD1 :: 133.329 CD2 :: 133.329 CE1 :: 118.337 CE2 :: 118.337 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 :: 8.336 HA :: 4.843 HB2 :: 3.211 HB3 :: 2.974 HD1 :: 7.329 HD2 :: 7.329 HE1 :: 6.906 HE2 :: 6.906 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 122.509 Ave N Shift Values>> N :: 120.52(4.2) 1.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.517 CA :: 63.596 CB :: 32.405 CG :: 27.760 CD :: 50.457 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 :: 4.974 HB2 :: 2.164 HB3 :: 1.776 HG2 :: 2.088 HG3 :: 2.053 HD2 :: 3.944 HD3 :: 3.465 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.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.41 R 0.07 HN Overlap>> 1.M23 1.M23 C Shift Assignments>> C :: 175.234 CA :: 54.639 CB :: 35.816 CG :: 24.806 CD :: 28.902 CE :: 41.820 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 :: 8.906 HA :: 4.654 HB2 :: 1.691 HB3 :: 1.627 HG2 :: 1.179 HG3 :: 1.140 HD2 :: 1.191 HD3 :: 1.088 HE2 :: 2.540 HE3 :: 2.366 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 :: 122.931 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.25 R 0.01 A 0.01 C Shift Assignments>> C :: 176.838 CA :: 54.396 CB :: 41.711 CG :: 27.543 CD1 :: 24.727 CD2 :: 23.811 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 :: 8.527 HA :: 5.062 HB2 :: 1.664 HB3 :: 1.468 HG :: 1.650 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 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 :: 127.062 Ave N Shift Values>> N :: 121.86(3.9) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 A 0.31 M 0.31 HN Overlap>> 1.K21 1.K21 C Shift Assignments>> C :: 173.575 CA :: 54.637 CB :: 36.852 CG :: 31.632 CE :: 17.283 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.987 HA :: 4.715 HB2 :: 1.762 HB3 :: 1.654 HG2 :: 2.202 HG3 :: 2.137 HE1 :: 1.849 HE2 :: 1.849 HE3 :: 1.849 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 :: 123.002 Ave N Shift Values>> N :: 120.09(3.57) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.41 M 0.11 K 0.02 I 0.02 Q 0.01 HN Overlap>> 1.M98 1.M98 C Shift Assignments>> C :: 176.138 CA :: 55.191 CB :: 30.475 CG :: 37.139 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 :: 8.398 HA :: 4.748 HB2 :: 1.868 HB3 :: 1.703 HG2 :: 2.212 HG3 :: 1.913 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 :: 122.105 Ave N Shift Values>> N :: 120.67(3.48) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 173.913 CA :: 60.387 CB :: 38.638 CG1 :: 27.349 CG2 :: 16.267 CD1 :: 12.057 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.241 HA :: 4.007 HB :: 1.840 HG12 :: 1.374 HG13 :: 1.010 HG21 :: 0.596 HG22 :: 0.596 HG23 :: 0.596 HD11 :: 0.558 HD12 :: 0.558 HD13 :: 0.558 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 :: 124.320 Ave N Shift Values>> N :: 121.46(4.28) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.21 N 0.17 K 0.07 F 0.05 C 0.05 Y 0.04 R 0.01 C Shift Assignments>> C :: 177.736 CA :: 52.810 CB :: 41.272 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 :: 7.921 HA :: 4.796 HB2 :: 2.718 HB3 :: 2.545 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.273 Ave N Shift Values>> N :: 120.65(3.86) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.3 R 0.19 Q 0.11 M 0.08 C Shift Assignments>> C :: 176.685 CA :: 57.366 CB :: 28.653 CG :: 31.798 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 :: 8.902 HA :: 4.690 HB2 :: 2.140 HB3 :: 1.966 HG2 :: 2.361 HG3 :: 2.231 HE21 :: 7.620 HE22 :: 6.345 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.162 NE2 :: 112.665 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.13 C Shift Assignments>> C :: 177.325 CA :: 56.164 CB :: 31.994 CG :: 24.771 CD :: 28.457 CE :: 41.516 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 :: 8.618 HA :: 4.265 HB2 :: 1.852 HB3 :: 1.852 HG2 :: 1.458 HG3 :: 1.404 HD2 :: 1.719 HD3 :: 1.658 HE2 :: 3.000 HE3 :: 3.000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.235 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.32 R 0.14 C Shift Assignments>> C :: 174.119 CA :: 53.932 CB :: 33.816 CG :: 25.303 CD :: 29.967 CE :: 41.891 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 :: 7.815 HA :: 4.627 HB2 :: 1.811 HB3 :: 1.811 HG2 :: 1.449 HG3 :: 1.449 HD2 :: 1.637 HD3 :: 1.637 HE2 :: 2.937 HE3 :: 2.836 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.072 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 177.268 CA :: 63.024 CB :: 32.343 CG :: 27.778 CD :: 50.841 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 :: 4.546 HB2 :: 2.460 HB3 :: 1.975 HG2 :: 2.100 HG3 :: 2.100 HD2 :: 3.969 HD3 :: 3.619 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.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.43 C Shift Assignments>> C :: 178.748 CA :: 58.154 CB :: 41.676 CG :: 26.947 CD1 :: 23.653 CD2 :: 24.205 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 :: 9.669 HA :: 3.904 HB2 :: 1.587 HB3 :: 1.558 HG :: 1.714 HD11 :: 0.705 HD12 :: 0.705 HD13 :: 0.705 HD21 :: 0.737 HD22 :: 0.737 HD23 :: 0.737 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.517 Ave N Shift Values>> N :: 121.86(3.9) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.346 CA :: 61.202 CB :: 62.078 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.660 HA :: 4.111 HB2 :: 3.991 HB3 :: 3.951 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 :: 111.769 Ave N Shift Values>> N :: 116.28(3.52) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 M 0.34 C 0.02 I 0.01 C Shift Assignments>> C :: 180.305 CA :: 54.378 CB :: 18.649 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.125 HA :: 4.147 HB1 :: 1.519 HB2 :: 1.519 HB3 :: 1.519 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.969 Ave N Shift Values>> N :: 123.23(3.54) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 177.512 CA :: 63.954 CB :: 37.451 CG1 :: 28.313 CG2 :: 16.560 CD1 :: 13.451 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.541 HA :: 3.672 HB :: 2.111 HG12 :: 1.460 HG13 :: 1.291 HG21 :: 0.688 HG22 :: 0.688 HG23 :: 0.688 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.366 Ave N Shift Values>> N :: 121.46(4.28) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 177.806 CA :: 65.834 CB :: 37.711 CG1 :: 30.761 CG2 :: 19.202 CD1 :: 13.380 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 :: 8.601 HA :: 3.335 HB :: 1.873 HG12 :: 1.722 HG13 :: 0.765 HG21 :: 0.979 HG22 :: 0.979 HG23 :: 0.979 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 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 :: 119.383 Ave N Shift Values>> N :: 121.46(4.28) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.36 R 0.13 G 0.01 C Shift Assignments>> C :: 177.103 CA :: 60.719 CB :: 31.968 CG :: 24.866 CD :: 28.762 CE :: 42.463 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 :: 7.701 HA :: 3.435 HB2 :: 1.625 HB3 :: 0.987 HG2 :: 1.083 HG3 :: 0.759 HD2 :: 1.225 HD3 :: 1.225 HE2 :: 2.884 HE3 :: 2.884 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.101 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.32 I 0.19 K 0.06 Q 0.03 M 0.01 C Shift Assignments>> C :: 180.366 CA :: 59.710 CB :: 29.331 CG :: 36.191 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 :: 7.495 HA :: 3.913 HB2 :: 2.110 HB3 :: 1.963 HG2 :: 2.348 HG3 :: 2.059 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 :: 118.220 Ave N Shift Values>> N :: 120.67(3.48) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 HN Overlap>> 1.Q88 1.Q88 C Shift Assignments>> C :: 178.688 CA :: 65.905 CB :: 31.524 CG1 :: 23.704 CG2 :: 22.864 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 :: 8.219 HA :: 3.207 HB :: 2.017 HG11 :: 0.705 HG12 :: 0.705 HG13 :: 0.705 HG21 :: 0.851 HG22 :: 0.851 HG23 :: 0.851 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 :: 120.244 Ave N Shift Values>> N :: 121.14(4.54) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.46 I 0.42 C 0.1 C Shift Assignments>> C :: 177.825 CA :: 65.365 CB :: 26.187 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.596 HA :: 3.681 HB2 :: 3.031 HB3 :: 2.792 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.958 Ave N Shift Values>> N :: 120.17(4.64) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 C 0.13 D 0.1 L 0.08 I 0.07 N 0.03 C Shift Assignments>> C :: 180.546 CA :: 57.273 CB :: 39.675 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 :: 8.999 HA :: 4.338 HB2 :: 2.675 HB3 :: 2.521 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 :: 121.349 Ave N Shift Values>> N :: 120.65(3.86) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 174.893 CA :: 46.754 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.584 HA2 :: 3.817 HA3 :: 3.607 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.233 Ave N Shift Values>> N :: 109.67(3.87) 1.W42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 174.260 CA :: 56.325 CB :: 29.081 CD1 :: 124.158 CE3 :: 120.289 CZ2 :: 114.937 CZ3 :: 122.051 CH2 :: 124.547 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 7.172 HA :: 5.070 HB2 :: 3.257 HB3 :: 2.520 HD1 :: 7.296 HE1 :: 10.123 HE3 :: 6.732 HZ2 :: 7.703 HZ3 :: 6.603 HH2 :: 7.048 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.576 NE1 :: 127.796 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.998 CA :: 59.111 CB :: 61.317 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.819 HA :: 4.010 HB2 :: 4.141 HB3 :: 4.068 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.490 Ave N Shift Values>> N :: 116.28(3.52) 1.L44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.65 A 0.16 C 0.15 G 0.01 C Shift Assignments>> C :: 176.273 CA :: 53.266 CB :: 42.028 CG :: 25.956 CD1 :: 25.080 CD2 :: 22.384 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 :: 8.114 HA :: 4.458 HB2 :: 1.170 HB3 :: 1.029 HG :: 1.280 HD11 :: -0.257(S) HD12 :: -0.257(S) HD13 :: -0.257(S) HD21 :: 0.730 HD22 :: 0.730 HD23 :: 0.730 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.329 Ave N Shift Values>> N :: 121.86(3.9) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 M 0.03 C 0.02 L 0.02 C Shift Assignments>> C :: 176.868 CA :: 51.967 CB :: 20.150 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.300 HA :: 4.305 HB1 :: 1.414 HB2 :: 1.414 HB3 :: 1.414 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.025 Ave N Shift Values>> N :: 123.23(3.54) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.19 E 0.1 Y 0.08 M 0.06 F 0.05 D 0.03 K 0.01 C Shift Assignments>> C :: 175.433 CA :: 53.718 CB :: 37.085 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 :: 8.603 HA :: 4.515 HB2 :: 2.880 HB3 :: 2.411 HD21 :: 7.555 HD22 :: 6.849 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 :: 113.225 ND2 :: 113.317 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.33 H 0.29 C Shift Assignments>> C :: 176.218 CA :: 59.273 CB :: 30.254 CD2 :: 121.513 CE1 :: 138.877 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.902 HA :: 4.638 HB2 :: 3.129 HB3 :: 3.062 HD2 :: 7.018 HE1 :: 7.751 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 :: 117.148 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.3 I 0.14 K 0.11 Q 0.07 C Shift Assignments>> C :: 177.244 CA :: 58.415 CB :: 28.291 CG :: 35.925 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 :: 8.787 HA :: 3.977 HB2 :: 1.691 HB3 :: 1.617 HG2 :: 1.792 HG3 :: 1.792 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 :: 119.697 Ave N Shift Values>> N :: 120.67(3.48) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.41 C Shift Assignments>> C :: 175.358 CA :: 56.933 CB :: 37.364 CD1 :: 132.184 CD2 :: 132.184 CE1 :: 118.108 CE2 :: 118.108 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 :: 8.090 HA :: 4.511 HB2 :: 3.052 HB3 :: 2.766 HD1 :: 6.886 HD2 :: 6.886 HE1 :: 6.723 HE2 :: 6.723 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.220 Ave N Shift Values>> N :: 120.52(4.2) 1.F50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.74 C 0.22 G 0.03 C Shift Assignments>> C :: 174.289 CA :: 58.085 CB :: 42.588 CD1 :: 132.374 CD2 :: 132.374 CE1 :: 131.425 CE2 :: 131.425 CZ :: 129.785 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 :: 7.810 HA :: 5.211 HB2 :: 2.989 HB3 :: 2.878 HD1 :: 7.162 HD2 :: 7.162 HE1 :: 7.290 HE2 :: 7.290 HZ :: 7.250 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 :: 119.187 Ave N Shift Values>> N :: 120.45(4.18) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.19 A 0.12 K 0.08 P 0.04 C Shift Assignments>> C :: 174.846 CA :: 50.824 CB :: 23.758 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.272 HA :: 4.651 HB1 :: 1.463 HB2 :: 1.463 HB3 :: 1.463 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.665 Ave N Shift Values>> N :: 123.23(3.54) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.41 C 0.11 A 0.01 C Shift Assignments>> C :: 176.103 CA :: 53.217 CB :: 44.892 CG :: 26.567 CD1 :: 24.866 CD2 :: 23.882 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 :: 9.349 HA :: 5.432 HB2 :: 1.736 HB3 :: 1.161 HG :: 1.610 HD11 :: 0.676 HD12 :: 0.676 HD13 :: 0.676 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 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 :: 118.379 Ave N Shift Values>> N :: 121.86(3.9) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.45 Q 0.04 E 0.01 C Shift Assignments>> C :: 175.259 CA :: 53.466 CB :: 33.833 CG :: 33.584 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 :: 8.985 HA :: 4.976 HB2 :: 1.767 HB3 :: 1.580 HG2 :: 2.103 HG3 :: 1.680 HE21 :: 6.747 HE22 :: 6.003 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 :: 119.474 NE2 :: 110.182 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 W 0.32 H 0.3 C Shift Assignments>> C :: 176.151 CA :: 58.899 CB :: 31.457 CD2 :: 119.026 CE1 :: 137.964 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 :: 8.729 HA :: 4.306 HB2 :: 3.058 HB3 :: 2.827 HD2 :: 6.694 HE1 :: 7.692 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 :: 123.951 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.15 C 0.01 C Shift Assignments>> C :: 176.778 CA :: 52.346 CB :: 18.469 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.295 HA :: 4.318 HB1 :: 1.204 HB2 :: 1.204 HB3 :: 1.204 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.166 Ave N Shift Values>> N :: 123.23(3.54) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.22 N 0.13 K 0.08 F 0.07 Y 0.05 C 0.05 R 0.01 HN Overlap>> 1.Q87 1.Q87 C Shift Assignments>> C :: 176.264 CA :: 53.547 CB :: 41.203 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 :: 8.191 HA :: 4.651 HB2 :: 2.961 HB3 :: 2.769 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 :: 118.589 Ave N Shift Values>> N :: 120.65(3.86) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.695 CA :: 59.139 CB :: 63.602 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.028 HA :: 4.359 HB2 :: 3.895 HB3 :: 3.895 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.912 Ave N Shift Values>> N :: 116.28(3.52) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.654 CA :: 59.486 CB :: 63.328 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.348 HA :: 4.153 HB2 :: 3.610 HB3 :: 3.401 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 :: 117.672 Ave N Shift Values>> N :: 116.28(3.52) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.13 C 0.12 Y 0.1 F 0.09 L 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 174.603 CA :: 53.951 CB :: 38.345 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 :: 8.021 HA :: 4.478 HB2 :: 2.815 HB3 :: 2.746 HD21 :: 7.378 HD22 :: 6.719 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 :: 116.726 ND2 :: 112.262 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 175.950 CA :: 56.381 CB :: 38.835 CD1 :: 131.258 CD2 :: 131.258 CE1 :: 131.318 CE2 :: 131.318 CZ :: 129.805 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 :: 7.851 HA :: 4.796 HB2 :: 3.202 HB3 :: 2.947 HD1 :: 7.116 HD2 :: 7.116 HE1 :: 7.281 HE2 :: 7.281 HZ :: 7.222 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 :: 119.012 Ave N Shift Values>> N :: 120.45(4.18) 1.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 176.236 CA :: 59.356 CB :: 39.211 CD1 :: 133.044 CD2 :: 133.044 CE1 :: 118.179 CE2 :: 118.179 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 :: 8.472 HA :: 4.727 HB2 :: 3.029 HB3 :: 2.781 HD1 :: 7.164 HD2 :: 7.164 HE1 :: 6.798 HE2 :: 6.798 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 :: 121.894 Ave N Shift Values>> N :: 120.52(4.2) 1.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 I 0.1 A 0.01 C Shift Assignments>> C :: 175.975 CA :: 58.649 CB :: 35.405 CG1 :: 27.903 CG2 :: 18.506 CD1 :: 9.807 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 :: 8.850 HA :: 4.693 HB :: 1.977 HG12 :: 1.276 HG13 :: 1.092 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 HD11 :: 0.408 HD12 :: 0.408 HD13 :: 0.408 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 :: 122.474 Ave N Shift Values>> N :: 121.46(4.28) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 T 0.42 A 0.01 C Shift Assignments>> C :: 175.044 CA :: 59.201 CB :: 73.100 CG2 :: 20.917 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.591 HA :: 4.683 HB :: 4.649 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 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 :: 120.329 Ave N Shift Values>> N :: 115.42(4.75) 1.E64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.2 K 0.19 Q 0.19 I 0.05 R 0.01 M 0.01 C Shift Assignments>> C :: 178.251 CA :: 58.736 CB :: 28.831 CG :: 34.888 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 :: 8.926 HA :: 4.323 HB2 :: 2.207 HB3 :: 1.862 HG2 :: 2.540 HG3 :: 2.430 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 :: 117.886 Ave N Shift Values>> N :: 120.67(3.48) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.11 C Shift Assignments>> C :: 177.682 CA :: 57.612 CB :: 33.084 CG :: 25.196 CD :: 28.922 CE :: 42.073 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 :: 7.785 HA :: 4.277 HB2 :: 1.829 HB3 :: 1.721 HG2 :: 1.510 HG3 :: 1.428 HD2 :: 1.680 HD3 :: 1.680 HE2 :: 2.990 HE3 :: 2.990 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 :: 115.003 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.54 D 0.2 C 0.07 F 0.05 Y 0.05 L 0.05 C Shift Assignments>> C :: 179.822 CA :: 52.539 CB :: 39.104 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.551 HA :: 5.061 HB2 :: 3.362 HB3 :: 2.586 HD21 :: 7.440 HD22 :: 7.430 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.495 ND2 :: 108.326 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 G 0.47 L 0.03 HN Overlap>> 1.T74 1.T74 C Shift Assignments>> C :: 177.115 CA :: 58.844 CB :: 29.117 CG :: 24.329 CD :: 45.074 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 :: 7.790 HA :: 4.137 HB2 :: 2.053 HB3 :: 1.993 HG2 :: 2.038 HG3 :: 1.547 HD2 :: 3.510 HD3 :: 2.936 HE :: 7.021 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.101 NE :: 82.170 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.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 C 0.2 E 0.14 Y 0.14 F 0.1 M 0.06 D 0.04 I 0.01 L 0.01 K 0.01 C Shift Assignments>> C :: 175.683 CA :: 54.986 CB :: 37.339 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 :: 8.470 HA :: 4.553 HB2 :: 2.872 HB3 :: 2.846 HD21 :: 7.625 HD22 :: 6.927 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 :: 118.571 ND2 :: 112.647 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.34 K 0.08 M 0.05 Q 0.05 I 0.04 C Shift Assignments>> C :: 177.112 CA :: 56.432 CB :: 29.778 CG :: 36.442 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 :: 7.879 HA :: 4.248 HB2 :: 2.294 HB3 :: 2.116 HG2 :: 2.358 HG3 :: 2.265 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 :: 117.623 Ave N Shift Values>> N :: 120.67(3.48) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 C 0.22 C Shift Assignments>> C :: 174.716 CA :: 63.136 CB :: 38.210 CG1 :: 28.225 CG2 :: 18.752 CD1 :: 13.575 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.317 HA :: 3.875 HB :: 1.776 HG12 :: 1.862 HG13 :: 0.925 HG21 :: 0.803 HG22 :: 0.803 HG23 :: 0.803 HD11 :: 0.881 HD12 :: 0.881 HD13 :: 0.881 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 :: 119.257 Ave N Shift Values>> N :: 121.46(4.28) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 C 0.35 R 0.06 G 0.02 C Shift Assignments>> C :: 177.188 CA :: 53.959 CB :: 34.765 CG :: 24.496 CD :: 28.762 CE :: 42.328 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 :: 8.152 HA :: 4.646 HB2 :: 1.916 HB3 :: 1.688 HG2 :: 1.517 HG3 :: 1.472 HD2 :: 1.689 HD3 :: 1.689 HE2 :: 3.035 HE3 :: 3.035 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 :: 125.585 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 Y 0.17 F 0.16 D 0.15 C 0.13 L 0.06 I 0.02 E 0.01 M 0.01 C Shift Assignments>> C :: 177.286 CA :: 55.191 CB :: 38.758 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 :: 8.915 HA :: 4.837 HB2 :: 2.792 HB3 :: 2.792 HD21 :: 7.741 HD22 :: 7.231 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 :: 120.540 ND2 :: 114.511 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 174.480 CA :: 45.075 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.468 HA2 :: 4.270 HA3 :: 3.627 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.612 Ave N Shift Values>> N :: 109.67(3.87) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> 1.R67 1.R67 C Shift Assignments>> C :: 171.838 CA :: 64.888 CB :: 70.100 CG2 :: 22.508 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 :: 7.734 HA :: 4.134 HB :: 4.068 HG21 :: 1.223 HG22 :: 1.223 HG23 :: 1.223 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.115 Ave N Shift Values>> N :: 115.42(4.75) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.322 CA :: 60.452 CB :: 38.371 CG1 :: 27.760 CG2 :: 17.702 CD1 :: 13.254 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 :: 8.283 HA :: 4.825 HB :: 1.760 HG12 :: 1.697 HG13 :: 1.072 HG21 :: 0.838 HG22 :: 0.838 HG23 :: 0.838 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 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 :: 124.619 Ave N Shift Values>> N :: 121.46(4.28) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.2 C 0.1 A 0.02 C Shift Assignments>> C :: 175.046 CA :: 52.306 CB :: 45.589 CG :: 26.988 CD1 :: 26.341 CD2 :: 23.829 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 :: 9.413 HA :: 5.121 HB2 :: 1.782 HB3 :: 1.310 HG :: 1.539 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 HD21 :: 0.555 HD22 :: 0.555 HD23 :: 0.555 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 :: 127.290 Ave N Shift Values>> N :: 121.86(3.9) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.34 K 0.13 G 0.12 C Shift Assignments>> C :: 175.151 CA :: 54.325 CB :: 33.524 CG :: 27.777 CD :: 43.444 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 :: 9.508 HA :: 5.210 HB2 :: 1.776 HB3 :: 1.713 HG2 :: 1.601 HG3 :: 1.519 HD2 :: 3.255 HD3 :: 3.207 HE :: 7.376 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.240 NE :: 84.048 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.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.22 R 0.13 G 0.1 C Shift Assignments>> C :: 175.131 CA :: 54.770 CB :: 43.588 CG :: 27.203 CD1 :: 26.098 CD2 :: 24.202 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 :: 8.679 HA :: 5.059 HB2 :: 2.307 HB3 :: 1.218 HG :: 1.603 HD11 :: 0.226 HD12 :: 0.226 HD13 :: 0.226 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 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 :: 127.079 Ave N Shift Values>> N :: 121.86(3.9) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.33 A 0.02 C Shift Assignments>> C :: 172.822 CA :: 59.479 CB :: 71.015 CG2 :: 19.561 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.268 HA :: 5.196 HB :: 4.115 HG21 :: 1.223 HG22 :: 1.223 HG23 :: 1.223 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.787 Ave N Shift Values>> N :: 115.42(4.75) 1.T80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.839 CA :: 61.811 CB :: 69.705 CG2 :: 21.882 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 :: 8.314 HA :: 4.376 HB :: 3.963 HG21 :: 1.074 HG22 :: 1.074 HG23 :: 1.074 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.304 Ave N Shift Values>> N :: 115.42(4.75) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D7 1.D7 C Shift Assignments>> C :: 173.432 CA :: 56.209 CB :: 63.158 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.397 HA :: 4.402 HB2 :: 3.737 HB3 :: 3.602 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 :: 119.520 Ave N Shift Values>> N :: 116.28(3.52) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.018 CA :: 63.614 CB :: 31.690 CG :: 26.872 CD :: 50.466 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 :: 4.305 HB2 :: 2.012 HB3 :: 1.789 HG2 :: 1.650 HG3 :: 1.345 HD2 :: 3.489 HD3 :: 3.250 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.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.14 C 0.01 HN Overlap>> 1.L108 1.L108 C Shift Assignments>> C :: 178.153 CA :: 52.914 CB :: 18.952 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.014 HA :: 4.141 HB1 :: 1.280 HB2 :: 1.280 HB3 :: 1.280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.650 Ave N Shift Values>> N :: 123.23(3.54) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.24 E 0.05 M 0.05 R 0.04 C Shift Assignments>> C :: 176.077 CA :: 56.100 CB :: 29.148 CG :: 33.690 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 :: 8.051 HA :: 4.172 HB2 :: 2.023 HB3 :: 1.893 HG2 :: 2.215 HG3 :: 2.215 HE21 :: 7.328 HE22 :: 6.665 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 :: 118.606 NE2 :: 111.817 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.17 C 0.09 Y 0.08 F 0.08 L 0.04 HN Overlap>> 1.H90 1.H90 C Shift Assignments>> C :: 175.381 CA :: 53.458 CB :: 38.746 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 :: 8.220 HA :: 4.593 HB2 :: 2.799 HB3 :: 2.752 HD21 :: 7.538 HD22 :: 6.865 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 :: 118.828 ND2 :: 112.490 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 C Shift Assignments>> C :: 178.227 CA :: 53.432 CB :: 18.953 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.158 HA :: 4.185 HB1 :: 1.381 HB2 :: 1.381 HB3 :: 1.381 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.529 Ave N Shift Values>> N :: 123.23(3.54) 1.Q87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.25 E 0.08 R 0.03 M 0.03 HN Overlap>> 1.D56 1.D56 C Shift Assignments>> C :: 176.620 CA :: 56.808 CB :: 29.081 CG :: 33.958 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 :: 8.180 HA :: 4.189 HB2 :: 2.065 HB3 :: 2.010 HG2 :: 2.355 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 :: 118.536 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.08 M 0.04 R 0.03 HN Overlap>> 1.V38 1.V38 C Shift Assignments>> C :: 176.642 CA :: 56.227 CB :: 29.129 CG :: 33.922 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 :: 8.219 HA :: 4.225 HB2 :: 1.950 HG2 :: 2.329 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 :: 120.159 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.32 R 0.02 G 0.01 C Shift Assignments>> C :: 177.694 CA :: 56.075 CB :: 42.132 CG :: 26.947 CD1 :: 24.722 CD2 :: 23.689 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 :: 8.087 HA :: 4.183 HB2 :: 1.605 HB3 :: 1.501 HG :: 1.524 HD11 :: 0.850 HD12 :: 0.850 HD13 :: 0.850 HD21 :: 0.799 HD22 :: 0.799 HD23 :: 0.799 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 :: 122.193 Ave N Shift Values>> N :: 121.86(3.9) 1.H90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.34 W 0.34 C 0.3 HN Overlap>> 1.N85 1.N85 C Shift Assignments>> C :: 175.820 CA :: 56.952 CB :: 30.582 CD2 :: 119.869 CE1 :: 138.232 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 :: 8.129 HA :: 4.517 HB2 :: 3.143 HB3 :: 3.080 HD2 :: 7.001 HE1 :: 7.846 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 :: 118.831 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.35 M 0.08 K 0.06 Q 0.05 I 0.03 C Shift Assignments>> C :: 176.737 CA :: 57.111 CB :: 30.225 CG :: 36.335 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 :: 8.172 HA :: 4.191 HB2 :: 2.019 HB3 :: 1.950 HG2 :: 2.193 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 :: 120.857 Ave N Shift Values>> N :: 120.67(3.48) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.39 G 0.07 K 0.04 C Shift Assignments>> C :: 176.678 CA :: 56.558 CB :: 30.645 CG :: 27.188 CD :: 43.435 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 :: 8.247 HA :: 4.293 HB2 :: 1.848 HB3 :: 1.792 HG2 :: 1.646 HG3 :: 1.588 HD2 :: 3.166 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.437 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.I93 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 :: 176.648 CA :: 61.579 CB :: 38.508 CG1 :: 27.571 CG2 :: 17.470 CD1 :: 12.906 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 :: 8.131 HA :: 4.092 HB :: 1.854 HG12 :: 1.480 HG13 :: 1.174 HG21 :: 0.880 HG22 :: 0.880 HG23 :: 0.880 HD11 :: 0.825 HD12 :: 0.825 HD13 :: 0.825 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.823 Ave N Shift Values>> N :: 121.46(4.28) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.27 C 0.24 E 0.07 M 0.06 R 0.03 C Shift Assignments>> C :: 176.258 CA :: 56.129 CB :: 29.357 CG :: 33.816 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 :: 8.417 HA :: 4.335 HB2 :: 2.105 HB3 :: 1.983 HG2 :: 2.345 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.952 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.739 CA :: 58.796 CB :: 63.907 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.338 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 :: 117.132 Ave N Shift Values>> N :: 116.28(3.52) 1.S96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.929 CA :: 58.773 CB :: 63.767 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.453 HB2 :: 3.897 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) 1.M98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.36 Q 0.14 K 0.01 HN Overlap>> 1.E24 1.E24 C Shift Assignments>> C :: 176.311 CA :: 56.092 CB :: 32.672 CG :: 32.087 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.334 HA :: 4.437 HB2 :: 2.105 HB3 :: 2.018 HG2 :: 2.601 HG3 :: 2.536 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.105 Ave N Shift Values>> N :: 120.09(3.57) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.22 F 0.11 K 0.11 Y 0.09 N 0.08 C 0.06 R 0.01 HN Overlap>> 1.E103 1.E103 C Shift Assignments>> C :: 176.501 CA :: 54.931 CB :: 41.078 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 :: 8.217 HA :: 4.522 HB2 :: 2.709 HB3 :: 2.607 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 :: 121.037 Ave N Shift Values>> N :: 120.65(3.86) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.18 C 0.02 C Shift Assignments>> C :: 178.647 CA :: 53.450 CB :: 18.960 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.171 HA :: 4.224 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.566 Ave N Shift Values>> N :: 123.23(3.54) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.16 C Shift Assignments>> C :: 177.403 CA :: 57.036 CB :: 32.437 CG :: 24.841 CD :: 28.902 CE :: 42.134 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 :: 8.189 HA :: 4.195 HB2 :: 1.838 HB3 :: 1.838 HG2 :: 1.442 HE2 :: 2.973 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.628 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.33 R 0.03 A 0.01 C Shift Assignments>> C :: 178.409 CA :: 56.066 CB :: 41.972 CG :: 27.091 CD1 :: 24.911 CD2 :: 23.441 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 :: 8.038 HA :: 4.236 HB2 :: 1.713 HB3 :: 1.585 HG :: 1.650 HD11 :: 0.915 HD12 :: 0.915 HD13 :: 0.915 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 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 :: 121.701 Ave N Shift Values>> N :: 121.86(3.9) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 K 0.07 M 0.06 Q 0.05 I 0.05 HN Overlap>> 1.D99 1.D99 C Shift Assignments>> C :: 176.970 CA :: 57.522 CB :: 30.042 CG :: 36.210 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 :: 8.270 HA :: 4.139 HB2 :: 2.033 HB3 :: 1.963 HG2 :: 2.279 HG3 :: 2.279 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 :: 120.997 Ave N Shift Values>> N :: 120.67(3.48) 1.A104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.01 HN Overlap>> 1.L111 1.L111 C Shift Assignments>> C :: 178.366 CA :: 53.083 CB :: 18.917 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.023 HA :: 4.266 HB1 :: 1.411 HB2 :: 1.411 HB3 :: 1.411 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.142 Ave N Shift Values>> N :: 123.23(3.54) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.31 R 0.02 A 0.01 C Shift Assignments>> C :: 177.987 CA :: 55.786 CB :: 42.017 CG :: 26.941 CD1 :: 24.937 CD2 :: 23.301 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 :: 7.933 HA :: 4.250 HB2 :: 1.714 HB3 :: 1.588 HG :: 1.693 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 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 :: 119.890 Ave N Shift Values>> N :: 121.86(3.9) 1.K106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.48 C Shift Assignments>> C :: 176.731 CA :: 57.204 CB :: 32.905 CG :: 24.918 CD :: 29.161 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 :: 7.996 HA :: 4.204 HB2 :: 1.818 HG2 :: 1.465 HD2 :: 1.663 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 :: 121.024 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 F 0.11 K 0.1 N 0.09 Y 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 176.817 CA :: 54.649 CB :: 41.048 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 :: 8.165 HA :: 4.577 HB2 :: 2.735 HB3 :: 2.622 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 :: 120.523 Ave N Shift Values>> N :: 120.65(3.86) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.33 R 0.03 A 0.01 HN Overlap>> 1.A83 1.A12 1.A83 1.A12 C Shift Assignments>> C :: 178.052 CA :: 56.136 CB :: 42.070 CG :: 27.189 CD1 :: 24.911 CD2 :: 23.441 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 :: 8.091 HA :: 4.225 HB2 :: 1.690 HB3 :: 1.606 HG :: 1.670 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 :: 122.571 Ave N Shift Values>> N :: 121.86(3.9) 1.A109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.02 C Shift Assignments>> C :: 178.405 CA :: 53.368 CB :: 18.898 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.184 HA :: 4.260 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 :: 123.098 Ave N Shift Values>> N :: 123.23(3.54) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.736 CA :: 58.791 CB :: 63.792 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.980 HA :: 4.372 HB2 :: 3.896 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 :: 113.685 Ave N Shift Values>> N :: 116.28(3.52) 1.L111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.28 R 0.03 A 0.02 G 0.01 HN Overlap>> 1.A104 1.A104 C Shift Assignments>> C :: 177.435 CA :: 55.362 CB :: 42.379 CG :: 26.868 CD1 :: 24.981 CD2 :: 23.301 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 :: 7.958 HA :: 4.357 HB2 :: 1.680 HB3 :: 1.608 HG :: 1.651 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 :: 123.213 Ave N Shift Values>> N :: 121.86(3.9) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.320 CA :: 58.278 CB :: 63.907 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.137 HA :: 4.439 HB2 :: 3.861 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.093 Ave N Shift Values>> N :: 116.28(3.52) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.37 G 0.07 K 0.05 C Shift Assignments>> C :: 175.093 CA :: 55.880 CB :: 31.018 CG :: 26.871 CD :: 43.394 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 :: 8.321 HA :: 4.411 HB2 :: 1.918 HB3 :: 1.740 HG2 :: 1.649 HD2 :: 3.192 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 :: 123.608 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.D114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.2 D 0.14 R 0.14 F 0.1 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 180.839 CA :: 55.923 CB :: 42.266 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 :: 7.947 HA :: 4.372 HB2 :: 2.520 HB3 :: 2.520 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 :: 126.647 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 112 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 110 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 114 #Suspicious: 0 C Shift Results: #Consistent: 494 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 746 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 116 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.W15 HB3 = 1.621(S), Expected = 3.12, Std = 0.3600, ChiSquare = 3.1287e-05 1.L44 HD11 = -0.257(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.2262e-04 1.L44 HD12 = -0.257(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.2262e-04 1.L44 HD13 = -0.257(S), Expected = 0.75, Std = 0.2800, ChiSquare = 3.2262e-04