Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.8 M 0.16 C 0.02 C Shift Assignments>> C :: 172.590 CA :: 51.922 CB :: 18.924 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 3.876 HB1 :: 0.980 HB2 :: 0.980 HB3 :: 0.980 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.33 M 0.2 Q 0.05 K 0.04 I 0.01 C Shift Assignments>> C :: 175.157 CA :: 55.476 CB :: 31.142 CG :: 36.063 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.262 HA :: 4.641 HB2 :: 1.904 HB3 :: 2.022 HG2 :: 2.260 HG3 :: 2.208 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.167 Ave N Shift Values>> N :: 120.68(3.68) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.47 G 0.02 C Shift Assignments>> C :: 175.817 CA :: 59.304 CB :: 42.079 CG1 :: 27.040 CG2 :: 18.017 CD1 :: 14.736 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.053 HA :: 5.361 HB :: 1.832 HG12 :: 1.219 HG13 :: 1.320 HG21 :: 0.942 HG22 :: 0.942 HG23 :: 0.942 HD11 :: 0.920 HD12 :: 0.920 HD13 :: 0.920 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.776 Ave N Shift Values>> N :: 121.6(4.72) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 T 0.48 A 0.02 C Shift Assignments>> C :: 173.483 CA :: 59.304 CB :: 73.249 CG2 :: 21.025 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.977 HA :: 5.141 HB :: 3.802 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.659 Ave N Shift Values>> N :: 115.7(5.05) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.24 K 0.17 L 0.16 C 0.13 F 0.12 Y 0.08 D 0.03 I 0.02 G 0.01 C Shift Assignments>> C :: 175.591 CA :: 58.054 CB :: 42.625 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.173 HA :: 4.866 HB2 :: 2.517 HB3 :: 3.114 HD1 :: 7.037 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.362 Ave N Shift Values>> N :: 120.69(4.18) 1.K7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 R 0.33 K 0.24 L 0.01 G 0.01 C Shift Assignments>> C :: 177.661 CA :: 57.390 CB :: 29.222 CG :: 25.673 CD :: 29.501 CE :: 42.079 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 11.130(S) HA :: 3.567 HB2 :: 1.912 HB3 :: 1.755 HG2 :: 0.937 HG3 :: 0.609 HD2 :: 1.594 HD3 :: 1.594 HE2 :: 2.873 HE3 :: 2.873 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 134.058 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.822 CA :: 45.360 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.965 HA2 :: 4.244 HA3 :: 3.528 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.280 Ave N Shift Values>> N :: 109.91(4.29) 1.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.27 C 0.07 K 0.06 D 0.05 G 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 171.262 CA :: 43.172 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.942 HA2 :: 4.815 HA3 :: 3.715 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.823 Ave N Shift Values>> N :: 109.91(4.29) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.097 CA :: 63.952 CB :: 32.509 CG :: 27.587 CD :: 50.828 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.640 HB2 :: 1.969 HB3 :: 2.379 HG2 :: 2.042 HG3 :: 2.162 HD2 :: 3.791 HD3 :: 3.943 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 I 0.11 V 0.07 A 0.01 C Shift Assignments>> C :: 174.462 CA :: 59.304 CB :: 35.516 CG1 :: 18.291 CG2 :: 22.939 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.770 HA :: 4.632 HB :: 2.360 HG11 :: 0.663 HG12 :: 0.663 HG13 :: 0.663 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.495 Ave N Shift Values>> N :: 121.02(4.96) 1.T12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.505 CA :: 62.312 CB :: 69.694 CG2 :: 21.025 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 10.773(S) HA :: 4.425 HB :: 4.096 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 121.940 Ave N Shift Values>> N :: 115.7(5.05) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 C 0.19 R 0.03 G 0.02 A 0.02 C Shift Assignments>> C :: 177.285 CA :: 53.289 CB :: 42.352 CG :: 26.767 CD1 :: 24.853 CD2 :: 23.759 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.524 HA :: 5.132 HB2 :: 1.188 HB3 :: 1.691 HG :: 1.713 HD11 :: 0.974 HD12 :: 0.974 HD13 :: 0.974 HD21 :: 0.696 HD22 :: 0.696 HD23 :: 0.696 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.550 Ave N Shift Values>> N :: 121.98(4.07) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 174.604 CA :: 62.312 CB :: 32.509 CG1 :: 20.478 CG2 :: 20.752 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.962 HA :: 3.859 HB :: 1.440 HG11 :: 0.165 HG12 :: 0.165 HG13 :: 0.165 HG21 :: 0.775 HG22 :: 0.775 HG23 :: 0.775 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.968 Ave N Shift Values>> N :: 121.02(4.96) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 G 0.09 C 0.08 D 0.04 K 0.04 F 0.04 Y 0.02 C Shift Assignments>> C :: 174.542 CA :: 43.446 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.838 HA2 :: 5.132 HA3 :: 3.730 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.596 Ave N Shift Values>> N :: 109.91(4.29) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 M 0.19 K 0.16 E 0.1 R 0.01 HN Overlap>> 1.E115 1.E115 C Shift Assignments>> C :: 174.876 CA :: 54.656 CB :: 30.321 CG :: 33.876 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.247 HA :: 4.347 HB2 :: 1.880 HB3 :: 1.965 HG2 :: 2.346 HG3 :: 2.346 HE21 :: 7.661 HE22 :: 6.804 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.522 NE2 :: 112.917 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 M 0.11 K 0.09 Q 0.08 I 0.04 C Shift Assignments>> C :: 176.607 CA :: 57.117 CB :: 30.321 CG :: 35.790 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.149 HA :: 3.938 HB2 :: 1.586 HB3 :: 1.683 HG2 :: 1.645 HG3 :: 1.725 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.616 Ave N Shift Values>> N :: 120.68(3.68) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 174.386 CA :: 61.765 CB :: 32.782 CG1 :: 21.845 CG2 :: 22.392 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.605 HA :: 4.047 HB :: 2.015 HG11 :: 0.685 HG12 :: 0.685 HG13 :: 0.685 HG21 :: 0.668 HG22 :: 0.668 HG23 :: 0.668 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.936 Ave N Shift Values>> N :: 121.02(4.96) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.38 R 0.08 G 0.01 M 0.01 C Shift Assignments>> C :: 176.457 CA :: 53.562 CB :: 34.423 CG :: 24.306 CD :: 28.681 CE :: 42.079 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.461 HA :: 4.624 HB2 :: 1.692 HB3 :: 1.692 HG2 :: 1.361 HG3 :: 1.361 HD2 :: 1.645 HD3 :: 1.645 HE2 :: 2.928 HE3 :: 2.928 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.874 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 177.624 CA :: 65.593 CB :: 31.415 CG1 :: 21.298 CG2 :: 22.939 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.349 HA :: 3.421 HB :: 1.898 HG11 :: 0.961 HG12 :: 0.961 HG13 :: 0.961 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.393 Ave N Shift Values>> N :: 121.02(4.96) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.2 R 0.15 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.160 CA :: 44.539 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.338 HA2 :: 4.566 HA3 :: 3.536 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.429 Ave N Shift Values>> N :: 109.91(4.29) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 C 0.11 K 0.11 N 0.1 F 0.09 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.231 CA :: 54.382 CB :: 40.985 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.222 HA :: 4.650 HB2 :: 2.861 HB3 :: 2.590 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.811 Ave N Shift Values>> N :: 120.73(4.2) 1.Q23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 K 0.26 C 0.24 E 0.08 R 0.06 M 0.06 C Shift Assignments>> C :: 175.892 CA :: 55.203 CB :: 28.954 CG :: 33.602 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.598 HA :: 4.224 HB2 :: 1.992 HB3 :: 1.992 HG2 :: 2.372 HG3 :: 2.475 HE21 :: 7.736 HE22 :: 6.804 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.491 NE2 :: 110.983 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.02 C Shift Assignments>> C :: 174.386 CA :: 51.101 CB :: 19.111 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.664 HA :: 4.030 HB1 :: 1.560 HB2 :: 1.560 HB3 :: 1.560 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.804 Ave N Shift Values>> N :: 123.23(3.7) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 173.596 CA :: 61.765 CB :: 32.509 CG :: 27.587 CD :: 50.554 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.422 HB2 :: 1.914 HB3 :: 2.297 HG2 :: 1.693 HG3 :: 1.902 HD2 :: 2.814 HD3 :: 3.537 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.18 D 0.16 K 0.13 C 0.1 F 0.05 Y 0.04 N 0.02 G 0.01 C Shift Assignments>> C :: 175.591 CA :: 54.656 CB :: 42.625 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.546 HA :: 4.411 HB2 :: 2.495 HB3 :: 2.573 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.979 Ave N Shift Values>> N :: 120.73(4.2) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.21 C 0.17 D 0.14 L 0.09 N 0.05 I 0.04 K 0.04 C Shift Assignments>> C :: 173.407 CA :: 56.570 CB :: 39.891 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.379 HA :: 4.659 HB2 :: 3.243 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.561 Ave N Shift Values>> N :: 120.69(4.18) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.443 CA :: 62.889 CB :: 72.155 CG2 :: 21.845 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.540 HA :: 4.936 HB :: 3.880 HG21 :: 1.137 HG22 :: 1.137 HG23 :: 1.137 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.593 Ave N Shift Values>> N :: 115.7(5.05) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.22 I 0.03 C Shift Assignments>> C :: 173.558 CA :: 59.527 CB :: 35.243 CG1 :: 20.752 CG2 :: 24.071 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.120 HA :: 4.863 HB :: 2.062 HG11 :: 0.682 HG12 :: 0.682 HG13 :: 0.682 HG21 :: 0.983 HG22 :: 0.983 HG23 :: 0.983 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.233 Ave N Shift Values>> N :: 121.02(4.96) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.22 G 0.22 A 0.01 HN Overlap>> 1.Q63 1.Q63 C Shift Assignments>> C :: 180.310 CA :: 53.562 CB :: 47.547 CG :: 26.767 CD1 :: 24.579 CD2 :: 24.579 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.565 HA :: 5.615 HB2 :: 1.753 HB3 :: 1.753 HG :: 1.796 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 HD21 :: 0.780 HD22 :: 0.780 HD23 :: 0.780 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.429 Ave N Shift Values>> N :: 121.98(4.07) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 176.457 CA :: 60.632 CB :: 71.451 CG2 :: 21.845 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.587 HA :: 4.741 HB :: 4.934 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.721 Ave N Shift Values>> N :: 115.7(5.05) 1.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.19 N 0.18 F 0.14 D 0.12 E 0.05 L 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 175.252 CA :: 55.476 CB :: 38.524 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.812 HA :: 4.352 HB2 :: 2.904 HB3 :: 2.904 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.460 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.822 CA :: 57.390 CB :: 62.859 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.782 HA :: 4.562 HB2 :: 3.885 HB3 :: 4.079 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 110.725 Ave N Shift Values>> N :: 116.3(3.95) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 L 0.08 C Shift Assignments>> C :: 175.516 CA :: 57.117 CB :: 37.430 CG :: 28.407 CD1 :: 24.306 CD2 :: 25.126 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.342 HA :: 3.686 HB2 :: 1.797 HB3 :: 2.270 HG :: 1.506 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 HD21 :: 1.012 HD22 :: 1.012 HD23 :: 1.012 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.913 Ave N Shift Values>> N :: 121.98(4.07) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.36 M 0.16 K 0.03 Q 0.02 I 0.01 C Shift Assignments>> C :: 176.005 CA :: 54.929 CB :: 30.868 CG :: 36.610 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.538 HA :: 4.546 HB2 :: 1.903 HB3 :: 2.062 HG2 :: 2.193 HG3 :: 2.193 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.429 Ave N Shift Values>> N :: 120.68(3.68) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.37 M 0.08 I 0.08 K 0.02 C Shift Assignments>> C :: 176.833 CA :: 56.923 CB :: 30.868 CG :: 37.430 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.681 HA :: 4.740 HB2 :: 1.970 HB3 :: 1.823 HG2 :: 2.036 HG3 :: 2.428 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.296 Ave N Shift Values>> N :: 120.68(3.68) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.43 R 0.06 M 0.01 HN Overlap>> 1.V140 1.V140 C Shift Assignments>> C :: 173.671 CA :: 55.476 CB :: 35.243 CG :: 24.853 CD :: 28.681 CE :: 40.985 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.122 HA :: 4.639 HB2 :: 1.350 HB3 :: 1.404 HG2 :: 1.183 HG3 :: 1.370 HD2 :: 1.357 HD3 :: 1.610 HE2 :: 2.740 HE3 :: 2.830 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.292 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.58 T 0.41 C Shift Assignments>> C :: 175.102 CA :: 56.296 CB :: 67.233 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.337 HA :: 5.310 HB2 :: 3.962 HB3 :: 4.049 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.811 Ave N Shift Values>> N :: 116.3(3.95) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.44 R 0.04 C Shift Assignments>> C :: 179.845 CA :: 58.210 CB :: 40.711 CG :: 27.314 CD1 :: 26.220 CD2 :: 23.486 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.023 HA :: 3.872 HB2 :: 1.068 HB3 :: 1.630 HG :: 1.452 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 HD21 :: 0.986 HD22 :: 0.986 HD23 :: 0.986 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.811 Ave N Shift Values>> N :: 121.98(4.07) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.36 I 0.03 C 0.03 C Shift Assignments>> C :: 179.995 CA :: 55.203 CB :: 18.291 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.447 HA :: 3.890 HB1 :: 1.343 HB2 :: 1.343 HB3 :: 1.343 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.362 Ave N Shift Values>> N :: 123.23(3.7) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.21 R 0.14 D 0.11 C 0.1 F 0.1 Y 0.07 N 0.01 C Shift Assignments>> C :: 176.720 CA :: 56.296 CB :: 42.079 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.517 HA :: 4.469 HB2 :: 2.899 HB3 :: 2.817 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.850 Ave N Shift Values>> N :: 120.73(4.2) 1.M42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 M 0.43 A 0.08 C Shift Assignments>> C :: 175.440 CA :: 56.843 CB :: 31.962 CG :: 33.329 CE :: 18.017 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.989 HA :: 4.336 HB2 :: 2.172 HB3 :: 2.405 HG2 :: 2.725 HG3 :: 2.421 HE1 :: 1.212 HE2 :: 1.212 HE3 :: 1.212 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.847 Ave N Shift Values>> N :: 120.1(3.88) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.34 R 0.26 M 0.01 C Shift Assignments>> C :: 177.435 CA :: 57.664 CB :: 33.329 CG :: 25.947 CD :: 29.501 CE :: 42.079 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 6.901 HA :: 4.265 HB2 :: 1.793 HB3 :: 1.906 HG2 :: 1.645 HG3 :: 1.327 HD2 :: 1.681 HD3 :: 1.681 HE2 :: 2.853 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.913 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.15 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.671 CA :: 44.813 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.268 HA2 :: 3.692 HA3 :: 4.596 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.112 Ave N Shift Values>> N :: 109.91(4.29) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.24 K 0.24 G 0.01 C Shift Assignments>> C :: 175.214 CA :: 54.820 CB :: 36.883 CG :: 25.126 CD :: 28.954 CE :: 42.035 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.516 HA :: 4.754 HB2 :: 1.547 HB3 :: 1.870 HG2 :: 1.313 HG3 :: 1.270 HD2 :: 1.325 HD3 :: 1.380 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.944 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 174.876 CA :: 64.773 CB :: 31.962 CG1 :: 20.478 CG2 :: 24.306 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.887 HA :: 3.950 HB :: 1.968 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 1.125 HG22 :: 1.125 HG23 :: 1.125 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.776 Ave N Shift Values>> N :: 121.02(4.96) 1.T47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.76 C 0.23 C Shift Assignments>> C :: 172.579 CA :: 62.312 CB :: 73.249 CG2 :: 21.572 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.956 HA :: 5.300 HB :: 4.030 HG21 :: 1.444 HG22 :: 1.444 HG23 :: 1.444 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 124.132 Ave N Shift Values>> N :: 115.7(5.05) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 173.972 CA :: 61.441 CB :: 40.438 CG1 :: 29.228 CG2 :: 18.017 CD1 :: 15.010 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.160 HA :: 4.740 HB :: 1.833 HG12 :: 0.988 HG13 :: 1.572 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 HD11 :: 0.706 HD12 :: 0.706 HD13 :: 0.706 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.515 Ave N Shift Values>> N :: 121.6(4.72) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> C :: 174.650 CA :: 60.773 CB :: 41.532 CG1 :: 28.681 CG2 :: 18.291 CD1 :: 13.096 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.507 HA :: 4.883 HB :: 1.887 HG12 :: 0.835 HG13 :: 1.786 HG21 :: 0.537 HG22 :: 0.537 HG23 :: 0.537 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.194 Ave N Shift Values>> N :: 121.6(4.72) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.692 CA :: 56.843 CB :: 64.773 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.079 HA :: 5.138 HB2 :: 4.127 HB3 :: 3.930 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.940 Ave N Shift Values>> N :: 116.3(3.95) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.2 K 0.02 HN Overlap>> 1.Y145 1.Y145 C Shift Assignments>> CA :: 61.595 CB :: 32.509 CG1 :: 23.759 CG2 :: 25.126 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.010 HA :: 4.873 HB :: 2.617 HG11 :: 0.903 HG12 :: 0.903 HG13 :: 0.903 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.128 Ave N Shift Values>> N :: 121.02(4.96) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.25 G 0.12 A 0.03 C Shift Assignments>> CA :: 58.026 CB :: 43.172 CG1 :: 27.404 CG2 :: 16.924 CD1 :: 13.463 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.182 HA :: 4.862 HB :: 1.391 HG12 :: 0.836 HG21 :: 0.655 HG22 :: 0.655 HG23 :: 0.655 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.776 Ave N Shift Values>> N :: 121.6(4.72) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 P 0.46 S 0.01 C Shift Assignments>> CA :: 65.560 CB :: 31.826 CG :: 27.040 CD :: 52.195 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.904 HB2 :: 2.210 HB3 :: 2.051 HG2 :: 2.230 HG3 :: 2.431 HD2 :: 3.645 HD3 :: 3.945 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 57.417 CB :: 65.195 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.214 HA :: 5.100 HB2 :: 4.101 HB3 :: 4.182 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 107.901 Ave N Shift Values>> N :: 116.3(3.95) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.56 C 0.43 C Shift Assignments>> CA :: 61.734 CB :: 36.233 CG1 :: 26.765 CG2 :: 19.658 CD1 :: 14.736 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.330 HA :: 5.075 HB :: 1.037 HG12 :: 0.718 HG13 :: 1.148 HG21 :: 1.503 HG22 :: 1.503 HG23 :: 1.503 HD11 :: 0.505 HD12 :: 0.505 HD13 :: 0.505 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.19 D 0.15 K 0.11 C 0.1 F 0.04 Y 0.03 G 0.02 N 0.02 HN Overlap>> 1.R125 1.R125 C Shift Assignments>> CA :: 54.407 CB :: 42.832 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.699 HA :: 5.075 HB2 :: 2.175 HB3 :: 2.858 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.940 Ave N Shift Values>> N :: 120.73(4.2) 1.T57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.440 CA :: 61.765 CB :: 69.421 CG2 :: 21.025 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.294 HA :: 4.323 HB :: 4.197 HG21 :: 0.702 HG22 :: 0.702 HG23 :: 0.702 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.921 Ave N Shift Values>> N :: 115.7(5.05) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.520 CA :: 45.360 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.215 HA2 :: 4.012 HA3 :: 4.012 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.969 Ave N Shift Values>> N :: 109.91(4.29) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 HN Overlap>> 1.R66 1.R66 C Shift Assignments>> C :: 175.854 CA :: 61.765 CB :: 33.329 CG1 :: 20.305 CG2 :: 20.925 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.976 HA :: 4.307 HB :: 2.146 HG11 :: 0.942 HG12 :: 0.942 HG13 :: 0.942 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.501 Ave N Shift Values>> N :: 121.02(4.96) 1.C60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HB2 :: 2.897 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.28 D 0.21 C 0.16 Y 0.12 F 0.11 L 0.06 E 0.01 I 0.01 C Shift Assignments>> CA :: 54.382 CB :: 39.142 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 4.323 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.51 A 0.38 C 0.03 I 0.02 V 0.01 C Shift Assignments>> C :: 180.485 CA :: 55.203 CB :: 18.838 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.663 HA :: 3.971 HB1 :: 1.432 HB2 :: 1.432 HB3 :: 1.432 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.2 K 0.18 Q 0.16 I 0.08 R 0.02 M 0.01 HN Overlap>> 1.L30 1.L30 C Shift Assignments>> C :: 178.527 CA :: 59.346 CB :: 28.635 CG :: 34.784 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.550 HA :: 3.865 HB2 :: 2.047 HB3 :: 1.758 HG2 :: 2.215 HG3 :: 2.291 HE21 :: 7.486 HE22 :: 6.671 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.429 NE2 :: 111.567 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 178.527 CA :: 66.686 CB :: 68.600 CG2 :: 22.666 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.121 HA :: 3.624 HB :: 4.245 HG21 :: 1.451 HG22 :: 1.451 HG23 :: 1.451 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.460 Ave N Shift Values>> N :: 115.7(5.05) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.46 C 0.37 K 0.08 G 0.05 L 0.01 C Shift Assignments>> CA :: 59.507 CB :: 29.637 CG :: 27.587 CD :: 43.038 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.530 HA :: 3.904 HB2 :: 1.788 HG2 :: 1.507 HG3 :: 1.507 HD2 :: 3.052 HD3 :: 3.002 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 1.R66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.07 K 0.06 L 0.03 HN Overlap>> 1.V59 1.V59 C Shift Assignments>> C :: 177.624 CA :: 59.031 CB :: 29.228 CG :: 27.587 CD :: 43.172 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.972 HA :: 4.056 HB2 :: 1.829 HB3 :: 1.829 HG2 :: 1.587 HG3 :: 1.705 HD2 :: 3.160 HD3 :: 3.196 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.460 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.F67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 F 0.21 Y 0.21 C 0.17 E 0.01 HN Overlap>> 1.V102 1.V102 C Shift Assignments>> C :: 176.043 CA :: 60.945 CB :: 39.071 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.673 HA :: 4.260 HB2 :: 2.830 HB3 :: 3.025 HD1 :: 6.905 HE1 :: 7.195 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.362 Ave N Shift Values>> N :: 120.69(4.18) 1.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.19 N 0.14 F 0.13 E 0.1 D 0.07 I 0.03 M 0.02 L 0.02 C Shift Assignments>> C :: 177.172 CA :: 55.750 CB :: 37.977 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.688 HA :: 4.150 HB2 :: 2.555 HB3 :: 2.960 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.042 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.22 M 0.03 K 0.02 C Shift Assignments>> C :: 179.468 CA :: 59.577 CB :: 30.321 CG :: 36.883 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.185 HA :: 3.848 HB2 :: 1.966 HB3 :: 2.202 HG2 :: 2.423 HG3 :: 2.093 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.975 Ave N Shift Values>> N :: 120.68(3.68) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.2 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 179.468 CA :: 58.757 CB :: 29.501 CG :: 36.883 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.671 HA :: 3.807 HB2 :: 2.019 HB3 :: 1.911 HG2 :: 2.324 HG3 :: 2.324 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.975 Ave N Shift Values>> N :: 120.68(3.68) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 C 0.02 I 0.02 C Shift Assignments>> C :: 178.226 CA :: 54.656 CB :: 18.017 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.418 HA :: 3.616 HB1 :: 0.952 HB2 :: 0.952 HB3 :: 0.952 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.069 Ave N Shift Values>> N :: 123.23(3.7) 1.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.39 C 0.02 I 0.01 C Shift Assignments>> C :: 179.280 CA :: 54.109 CB :: 18.564 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.520 HA :: 3.842 HB1 :: 1.419 HB2 :: 1.419 HB3 :: 1.419 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 116.139 Ave N Shift Values>> N :: 123.23(3.7) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.36 R 0.22 M 0.02 HN Overlap>> 1.A89 1.A89 C Shift Assignments>> C :: 177.661 CA :: 57.116 CB :: 32.782 CG :: 25.400 CD :: 29.501 CE :: 42.062 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.302 HA :: 4.129 HB2 :: 1.834 HB3 :: 1.933 HG2 :: 1.659 HG3 :: 1.487 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 2.892 HE3 :: 2.892 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.850 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.32 R 0.14 G 0.03 C Shift Assignments>> C :: 177.021 CA :: 56.843 CB :: 42.625 CG :: 26.220 CD1 :: 26.767 CD2 :: 23.212 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.398 HA :: 3.983 HB2 :: 1.270 HB3 :: 1.866 HG :: 2.055 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 HD21 :: 0.796 HD22 :: 0.796 HD23 :: 0.796 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.460 Ave N Shift Values>> N :: 121.98(4.07) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 172.805 CA :: 45.360 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.174 HA2 :: 4.215 HA3 :: 3.630 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.991 Ave N Shift Values>> N :: 109.91(4.29) 1.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.21 C 0.15 Y 0.09 F 0.08 L 0.05 E 0.01 C Shift Assignments>> C :: 173.749 CA :: 53.708 CB :: 39.071 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.825 HA :: 4.766 HB2 :: 2.504 HB3 :: 2.890 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.839 Ave N Shift Values>> N :: 120.73(4.2) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.22 I 0.01 A 0.01 C Shift Assignments>> C :: 175.629 CA :: 58.959 CB :: 34.970 CG1 :: 19.111 CG2 :: 21.845 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.511 HA :: 4.772 HB :: 1.905 HG11 :: 0.641 HG12 :: 0.641 HG13 :: 0.641 HG21 :: 0.641 HG22 :: 0.641 HG23 :: 0.641 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.615 Ave N Shift Values>> N :: 121.02(4.96) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.31 C 0.12 L 0.1 F 0.04 Y 0.04 K 0.02 C Shift Assignments>> C :: 174.047 CA :: 52.085 CB :: 40.438 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.822 HA :: 4.820 HB2 :: 2.270 HB3 :: 2.940 HD21 :: 7.141 HD22 :: 7.373 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.393 ND2 :: 115.726 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 174.123 CA :: 61.491 CB :: 33.329 CG1 :: 21.845 CG2 :: 21.298 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.044 HA :: 4.669 HB :: 1.998 HG11 :: 0.800 HG12 :: 0.800 HG13 :: 0.800 HG21 :: 0.618 HG22 :: 0.618 HG23 :: 0.618 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.456 Ave N Shift Values>> N :: 121.02(4.96) 1.Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.22 D 0.13 K 0.11 C 0.1 F 0.05 Y 0.03 G 0.02 N 0.01 C Shift Assignments>> C :: 177.210 CA :: 54.929 CB :: 42.899 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.944 HA :: 6.170 HB2 :: 2.447 HB3 :: 2.763 HD1 :: 6.941 HE1 :: 6.790 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.229 Ave N Shift Values>> N :: 120.79(4.69) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 172.880 CA :: 62.038 CB :: 71.608 CG2 :: 20.478 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.465 HA :: 5.652 HB :: 3.773 HG21 :: 0.758 HG22 :: 0.758 HG23 :: 0.758 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.491 Ave N Shift Values>> N :: 115.7(5.05) 1.I82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 174.123 CA :: 59.847 CB :: 39.618 CG1 :: 27.040 CG2 :: 16.377 CD1 :: 11.729 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.958 HA :: 5.145 HB :: 0.876 HG12 :: 1.007 HG13 :: 0.498 HG21 :: 0.159 HG22 :: 0.159 HG23 :: 0.159 HD11 :: -0.602(S) HD12 :: -0.602(S) HD13 :: -0.602(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.550 Ave N Shift Values>> N :: 121.6(4.72) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 S 0.15 C Shift Assignments>> C :: 173.182 CA :: 57.034 CB :: 68.054 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.731 HA :: 4.909 HB2 :: 3.658 HB3 :: 3.658 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.171 Ave N Shift Values>> N :: 116.3(3.95) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.16 C 0.02 C Shift Assignments>> C :: 175.290 CA :: 51.922 CB :: 19.111 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.548 HA :: 4.177 HB1 :: 1.523 HB2 :: 1.523 HB3 :: 1.523 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.651 Ave N Shift Values>> N :: 123.23(3.7) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.23 D 0.11 K 0.1 C 0.1 F 0.05 Y 0.03 G 0.03 N 0.01 C Shift Assignments>> C :: 175.591 CA :: 55.136 CB :: 43.011 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.739 HA :: 4.380 HB2 :: 2.714 HB3 :: 2.714 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 114.721 Ave N Shift Values>> N :: 120.73(4.2) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.55 L 0.31 A 0.13 C Shift Assignments>> CA :: 54.656 CB :: 39.380 CG :: 27.496 CD1 :: 22.392 CD2 :: 25.947 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.475 HA :: 3.956 HB2 :: 2.209 HB3 :: 1.530 HG :: 1.718 HD11 :: 0.421 HD12 :: 0.421 HD13 :: 0.421 HD21 :: 1.012 HD22 :: 1.012 HD23 :: 1.012 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.91 C 0.08 C Shift Assignments>> CA :: 65.046 CB :: 32.264 CG :: 27.348 CD :: 49.808 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.225 HB2 :: 1.107 HB3 :: 2.678 HG2 :: 2.019 HG3 :: 2.019 HD2 :: 3.641 HD3 :: 3.641 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.F88 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.2 I 0.09 D 0.06 L 0.04 E 0.02 N 0.02 K 0.01 C Shift Assignments>> CA :: 57.664 CB :: 39.344 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 5.565(A) HA :: 4.340 HB2 :: 2.722 HB3 :: 3.534 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 110.725 Ave N Shift Values>> N :: 120.69(4.18) 1.A89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.16 C 0.03 L 0.01 HN Overlap>> 1.K73 1.K73 C Shift Assignments>> CA :: 52.009 CB :: 19.761 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.381 HA :: 4.239 HB1 :: 1.505 HB2 :: 1.505 HB3 :: 1.505 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 114.850 Ave N Shift Values>> N :: 123.23(3.7) 1.Q90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.25 I 0.15 K 0.13 Q 0.09 M 0.01 R 0.01 C Shift Assignments>> CA :: 59.578 CB :: 28.728 CG :: 35.389 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.231 HA :: 3.695 HB2 :: 2.023 HB3 :: 2.063 HG2 :: 2.196 HE21 :: 7.240 HE22 :: 6.642 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> NE2 :: 109.901 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.41 C 0.03 I 0.01 C Shift Assignments>> CA :: 54.382 CB :: 18.837 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.741 HA :: 4.202 HB1 :: 1.470 HB2 :: 1.470 HB3 :: 1.470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.589 Ave N Shift Values>> N :: 123.23(3.7) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.46 C 0.33 K 0.12 G 0.06 L 0.02 C Shift Assignments>> CA :: 55.476 CB :: 30.048 CG :: 27.581 CD :: 43.172 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.354 HA :: 4.588 HB2 :: 1.990 HB3 :: 1.990 HG2 :: 1.768 HG3 :: 1.768 HD2 :: 3.224 HD3 :: 3.224 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 1.W93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 Q 0.13 H 0.12 K 0.12 C 0.11 R 0.11 M 0.03 I 0.03 V 0.01 C Shift Assignments>> CA :: 57.534 CB :: 29.501 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.767 HA :: 4.881 HB2 :: 3.250 HB3 :: 3.488 HD1 :: 7.519 HE1 :: 10.227 HE3 :: 6.799 HZ3 :: 7.230 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 121.927 NE1 :: 131.866 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.C94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.3 C 0.18 F 0.11 G 0.1 L 0.1 Y 0.07 K 0.06 I 0.02 C Shift Assignments>> CA :: 59.577 CB :: 43.446 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> HA :: 3.901 HB2 :: 2.993 HB3 :: 2.993 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> CA :: 45.511 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 5.122 HA3 :: 3.691 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.15 L 0.07 C 0.06 C Shift Assignments>> CA :: 51.699 CB :: 21.025 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.504 HA :: 4.412 HB1 :: 1.486 HB2 :: 1.486 HB3 :: 1.486 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.579 Ave N Shift Values>> N :: 123.23(3.7) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 D 0.18 C 0.18 Y 0.15 F 0.13 L 0.06 E 0.02 I 0.01 C Shift Assignments>> CA :: 54.929 CB :: 39.071 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.345 HA :: 4.551 HB2 :: 2.694 HB3 :: 2.694 HD21 :: 6.877 HD22 :: 7.531 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> ND2 :: 112.272 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.8 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 174.160 CA :: 45.841 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.890 HA2 :: 3.796 HA3 :: 4.070 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 175.561 CA :: 60.671 CB :: 38.524 CG1 :: 26.493 CG2 :: 18.564 CD1 :: 14.190 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.739 HA :: 4.198 HB :: 1.672 HG12 :: 1.280 HG13 :: 1.280 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 HD11 :: 0.703 HD12 :: 0.703 HD13 :: 0.703 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.780 Ave N Shift Values>> N :: 121.6(4.72) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.17 K 0.15 F 0.14 C 0.12 Y 0.12 N 0.04 R 0.03 I 0.01 C Shift Assignments>> C :: 176.325 CA :: 56.023 CB :: 40.985 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.372 HA :: 4.426 HB2 :: 2.640 HB3 :: 2.640 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.194 Ave N Shift Values>> N :: 120.73(4.2) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.27 M 0.01 G 0.01 C Shift Assignments>> C :: 175.874 CA :: 58.210 CB :: 31.689 CG :: 25.400 CD :: 28.954 CE :: 42.352 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.081 HA :: 4.052 HB2 :: 2.040 HB3 :: 2.040 HG2 :: 1.520 HG3 :: 1.449 HD2 :: 1.887 HD3 :: 1.808 HE2 :: 3.128 HE3 :: 3.128 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.366 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 HN Overlap>> 1.F67 1.F67 C Shift Assignments>> C :: 175.145 CA :: 61.919 CB :: 32.782 CG1 :: 21.025 CG2 :: 22.119 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.631 HA :: 4.419 HB :: 2.032 HG11 :: 0.874 HG12 :: 0.874 HG13 :: 0.874 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.362 Ave N Shift Values>> N :: 121.02(4.96) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.22 E 0.16 C Shift Assignments>> C :: 175.943 CA :: 55.140 CB :: 33.329 CG :: 36.610 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.489 HA :: 4.931 HB2 :: 2.123 HB3 :: 2.189 HG2 :: 2.315 HG3 :: 2.447 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.581 Ave N Shift Values>> N :: 120.68(3.68) 1.T104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.64 C 0.35 C Shift Assignments>> C :: 173.165 CA :: 58.757 CB :: 69.967 CG2 :: 22.939 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.690 HA :: 5.292 HB :: 3.802 HG21 :: 1.210 HG22 :: 1.210 HG23 :: 1.210 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.979 Ave N Shift Values>> N :: 115.7(5.05) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.28 C 0.14 A 0.01 C Shift Assignments>> C :: 176.985 CA :: 52.849 CB :: 45.633 CG :: 26.493 CD1 :: 25.400 CD2 :: 24.033 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.635 HA :: 4.979 HB2 :: 1.039 HB3 :: 1.274 HG :: 1.320 HD11 :: -0.077 HD12 :: -0.077 HD13 :: -0.077 HD21 :: 0.692 HD22 :: 0.692 HD23 :: 0.692 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.233 Ave N Shift Values>> N :: 121.98(4.07) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 176.256 CA :: 56.570 CB :: 65.593 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.670 HA :: 5.485 HB2 :: 3.733 HB3 :: 3.830 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.979 Ave N Shift Values>> N :: 116.3(3.95) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.12 C 0.08 R 0.03 D 0.01 C Shift Assignments>> CA :: 52.753 CB :: 45.086 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.764 HA :: 5.517 HB2 :: 1.842 HB3 :: 2.505 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 132.898 Ave N Shift Values>> N :: 120.73(4.2) 1.H108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.14 E 0.13 R 0.1 I 0.1 H 0.08 Q 0.08 K 0.07 V 0.04 M 0.02 HN Overlap>> 1.M111 1.M111 C Shift Assignments>> CA :: 59.577 CB :: 29.861 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.940 HA :: 4.075 HB2 :: 2.656 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.397 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.16 C 0.14 W 0.13 K 0.12 Q 0.11 E 0.09 H 0.08 L 0.05 R 0.05 C Shift Assignments>> CA :: 59.031 CB :: 27.861 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> HA :: 4.214 HB2 :: 1.536 HB3 :: 1.866 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.31 R 0.19 G 0.19 C 0.12 D 0.09 F 0.02 K 0.02 Y 0.01 C Shift Assignments>> C :: 175.735 CA :: 53.708 CB :: 43.875 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> HA :: 4.867 HB2 :: 2.551 HB3 :: 2.696 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) 1.M111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.42 A 0.12 HN Overlap>> 1.H108 1.H108 C Shift Assignments>> C :: 177.332 CA :: 56.570 CB :: 30.868 CG :: 32.264 CE :: 19.000 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.899 HA :: 4.503 HB2 :: 1.844 HB3 :: 1.844 HE1 :: 1.341 HE2 :: 1.341 HE3 :: 1.341 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 116.397 Ave N Shift Values>> N :: 120.1(3.88) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 179.173 CA :: 60.945 CB :: 64.499 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.931 HA :: 4.248 HB2 :: 4.162 HB3 :: 4.355 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 113.561 Ave N Shift Values>> N :: 116.3(3.95) 1.F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.18 Y 0.12 F 0.1 E 0.02 V 0.01 C Shift Assignments>> C :: 177.437 CA :: 62.312 CB :: 37.704 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 10.125 HA :: 3.593 HB2 :: 2.247 HB3 :: 2.378 HD1 :: 7.022 HE1 :: 7.242 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.550 Ave N Shift Values>> N :: 120.69(4.18) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 C 0.14 A 0.12 G 0.08 N 0.06 D 0.02 C Shift Assignments>> C :: 175.735 CA :: 48.641 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 10.707 HA2 :: 3.396 HA3 :: 3.218 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.178 Ave N Shift Values>> N :: 109.91(4.29) 1.E115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.34 I 0.19 K 0.05 M 0.03 Q 0.01 HN Overlap>> 1.Q16 1.Q16 C Shift Assignments>> C :: 178.756 CA :: 59.031 CB :: 29.775 CG :: 36.610 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.251 HA :: 4.431 HB2 :: 2.217 HB3 :: 2.166 HG2 :: 2.314 HG3 :: 2.314 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.522 Ave N Shift Values>> N :: 120.68(3.68) 1.A116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.34 C 0.04 I 0.03 V 0.01 C Shift Assignments>> C :: 177.610 CA :: 55.476 CB :: 18.838 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.895 HA :: 4.111 HB1 :: 1.623 HB2 :: 1.623 HB3 :: 1.623 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.100 Ave N Shift Values>> N :: 123.23(3.7) 1.F117 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.24 C 0.24 F 0.18 E 0.09 I 0.06 N 0.06 D 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 175.353 CA :: 56.843 CB :: 38.251 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.161 HA :: 4.262 HB2 :: 1.655(S) HB3 :: 2.490 HD1 :: 5.733 HE1 :: 6.887 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 113.432 Ave N Shift Values>> N :: 120.69(4.18) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 174.901 CA :: 47.274 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.685 HA2 :: 3.544 HA3 :: 4.362 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.143 Ave N Shift Values>> N :: 109.91(4.29) 1.V119 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.51 V 0.48 C Shift Assignments>> C :: 174.901 CA :: 59.532 CB :: 32.509 CG1 :: 21.025 CG2 :: 22.939 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.380 HA :: 4.788 HB :: 2.788 HG11 :: 0.879 HG12 :: 0.879 HG13 :: 0.879 HG21 :: 1.245 HG22 :: 1.245 HG23 :: 1.245 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 102.475(S) Ave N Shift Values>> N :: 121.02(4.96) 1.Y120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 N 0.24 Y 0.15 E 0.1 F 0.09 D 0.07 M 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 173.443 CA :: 54.929 CB :: 37.704 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 6.841 HA :: 4.484 HB2 :: 2.597 HB3 :: 3.342 HD1 :: 6.877 HE1 :: 6.846 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 124.518 Ave N Shift Values>> N :: 120.79(4.69) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 176.221 CA :: 62.014 CB :: 37.704 CG1 :: 27.587 CG2 :: 18.837 CD1 :: 12.822 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.244 HA :: 4.419 HB :: 1.913 HG12 :: 1.983 HG13 :: 1.983 HG21 :: 0.987 HG22 :: 0.987 HG23 :: 0.987 HD11 :: 0.667 HD12 :: 0.667 HD13 :: 0.667 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.772 Ave N Shift Values>> N :: 121.6(4.72) 1.K122 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> K 0.44 C 0.42 R 0.1 M 0.01 G 0.01 C Shift Assignments>> C :: 179.069 CA :: 60.124 CB :: 33.329 CG :: 24.306 CD :: 29.228 CE :: 42.079 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.328 HA :: 3.588 HB2 :: 1.350 HB3 :: 1.610 HG2 :: 1.082 HG3 :: 1.236 HD2 :: 1.397 HD3 :: 1.463 HE2 :: 2.858 HE3 :: 2.858 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 134.955(S) Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.29 E 0.13 C Shift Assignments>> C :: 176.638 CA :: 61.218 CB :: 29.228 CG :: 37.704 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 10.228 HA :: 3.919 HB2 :: 1.921 HB3 :: 2.040 HG2 :: 2.319 HG3 :: 2.785 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 115.624 Ave N Shift Values>> N :: 120.68(3.68) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.34 C 0.16 A 0.09 R 0.01 C Shift Assignments>> C :: 175.403 CA :: 53.562 CB :: 44.813 CG :: 26.767 CD1 :: 24.853 CD2 :: 22.392 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.480 HA :: 4.464 HB2 :: 1.079 HB3 :: 1.433 HG :: 1.251 HD11 :: 0.064 HD12 :: 0.064 HD13 :: 0.064 HD21 :: 0.657 HD22 :: 0.657 HD23 :: 0.657 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 110.434 Ave N Shift Values>> N :: 121.98(4.07) 1.R125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.14 C 0.13 E 0.13 H 0.11 M 0.09 K 0.08 Q 0.08 V 0.02 I 0.02 HN Overlap>> 1.D56 1.D56 C Shift Assignments>> C :: 173.029 CA :: 57.664 CB :: 30.965 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.701 HA :: 3.783 HB2 :: 1.360 HB3 :: 1.612 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.940 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.22 L 0.11 A 0.07 C Shift Assignments>> C :: 174.203 CA :: 51.922 CB :: 46.727 CG :: 25.673 CD1 :: 23.486 CD2 :: 25.673 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 6.671 HA :: 4.621 HB2 :: 1.194 HB3 :: 1.548 HG :: 1.746 HD11 :: 1.140 HD12 :: 1.140 HD13 :: 1.140 HD21 :: 0.777 HD22 :: 0.777 HD23 :: 0.777 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 111.885 Ave N Shift Values>> N :: 121.98(4.07) 1.L127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 C 0.18 G 0.1 R 0.02 A 0.01 C Shift Assignments>> C :: 175.145 CA :: 52.742 CB :: 43.172 CG :: 27.040 CD1 :: 24.033 CD2 :: 24.033 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.447 HA :: 5.153 HB2 :: 1.490 HB3 :: 1.159 HG :: 0.805 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 HD21 :: 0.875 HD22 :: 0.875 HD23 :: 0.875 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.983 Ave N Shift Values>> N :: 121.98(4.07) 1.A128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.22 C 0.01 HN Overlap>> 1.F132 1.F132 C Shift Assignments>> C :: 176.603 CA :: 52.469 CB :: 18.291 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.160 HA :: 3.843 HB1 :: 1.539 HB2 :: 1.539 HB3 :: 1.539 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.682 Ave N Shift Values>> N :: 123.23(3.7) 1.R129 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.39 C 0.3 R 0.2 L 0.09 C Shift Assignments>> C :: 176.534 CA :: 55.651 CB :: 29.775 CG :: 24.963 CD :: 42.073 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 6.254(S) HA :: 4.700 HB2 :: 2.189 HB3 :: 2.046 HG2 :: 1.371 HD2 :: 2.856 HD3 :: 2.856 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 120.393 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.957 CA :: 57.658 CB :: 63.679 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.398 HA :: 4.767 HB2 :: 3.970 HB3 :: 3.173 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.264 Ave N Shift Values>> N :: 116.3(3.95) 1.V131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 V 0.28 I 0.02 C Shift Assignments>> C :: 172.853 CA :: 60.746 CB :: 36.610 CG1 :: 21.572 CG2 :: 22.939 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.838 HA :: 5.086 HB :: 2.039 HG11 :: 0.977 HG12 :: 0.977 HG13 :: 0.977 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.460 Ave N Shift Values>> N :: 121.02(4.96) 1.F132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 L 0.24 R 0.21 C 0.15 F 0.03 D 0.02 Y 0.02 HN Overlap>> 1.A128 1.A128 C Shift Assignments>> C :: 174.797 CA :: 56.296 CB :: 44.539 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.259 HA :: 5.583 HB2 :: 2.741 HB3 :: 3.236 HD1 :: 7.102 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.682 Ave N Shift Values>> N :: 120.69(4.18) 1.V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 174.450 CA :: 61.491 CB :: 34.696 CG1 :: 21.025 CG2 :: 21.298 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.907 HA :: 5.331 HB :: 2.098 HG11 :: 0.811 HG12 :: 0.811 HG13 :: 0.811 HG21 :: 1.067 HG22 :: 1.067 HG23 :: 1.067 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.878 Ave N Shift Values>> N :: 121.02(4.96) 1.L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 C 0.18 L 0.17 R 0.05 C Shift Assignments>> C :: 176.777 CA :: 52.195 CB :: 44.813 CG :: 28.681 CD1 :: 25.400 CD2 :: 25.400 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.976 HA :: 5.680 HB2 :: 2.012 HB3 :: 1.690 HG :: 1.794 HD11 :: 1.062 HD12 :: 1.062 HD13 :: 1.062 HD21 :: 1.062 HD22 :: 1.062 HD23 :: 1.062 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.417 Ave N Shift Values>> N :: 121.98(4.07) 1.D135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.26 L 0.12 C 0.12 F 0.05 Y 0.04 K 0.04 C Shift Assignments>> C :: 177.193 CA :: 52.276 CB :: 40.711 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.051 HA :: 4.708 HB2 :: 2.686 HB3 :: 3.492 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.362 Ave N Shift Values>> N :: 120.73(4.2) 1.E136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.27 K 0.15 I 0.11 Q 0.1 M 0.01 R 0.01 C Shift Assignments>> C :: 177.055 CA :: 58.757 CB :: 28.681 CG :: 35.516 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.970 HA :: 3.953 HB2 :: 1.836 HB3 :: 1.836 HG2 :: 2.155 HG3 :: 2.258 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.011 Ave N Shift Values>> N :: 120.68(3.68) 1.N137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.31 C 0.12 L 0.09 F 0.06 Y 0.05 K 0.02 C Shift Assignments>> C :: 175.943 CA :: 52.753 CB :: 40.164 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.514 HA :: 5.026 HB2 :: 3.078 HB3 :: 2.899 HD21 :: 8.009 HD22 :: 6.998 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.042 ND2 :: 115.703 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 172.436 CA :: 46.180 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.430 HA2 :: 3.690 HA3 :: 4.213 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.565 Ave N Shift Values>> N :: 109.91(4.29) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.2 M 0.03 C Shift Assignments>> C :: 176.742 CA :: 56.195 CB :: 32.782 CG :: 25.126 CD :: 29.491 CE :: 42.079 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.573 HA :: 4.472 HB2 :: 1.836 HB3 :: 1.714 HG2 :: 1.077 HG3 :: 1.233 HD2 :: 1.669 HD3 :: 1.669 HE2 :: 3.051 HE3 :: 2.948 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.358 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 HN Overlap>> 1.K37 1.K37 C Shift Assignments>> C :: 177.124 CA :: 63.952 CB :: 31.142 CG1 :: 21.298 CG2 :: 21.845 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.102 HA :: 4.293 HB :: 2.423 HG11 :: 0.952 HG12 :: 0.952 HG13 :: 0.952 HG21 :: 1.045 HG22 :: 1.045 HG23 :: 1.045 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.292 Ave N Shift Values>> N :: 121.02(4.96) 1.V141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.249 CA :: 61.491 CB :: 32.509 CG1 :: 19.931 CG2 :: 21.845 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.332 HA :: 4.670 HB :: 2.379 HG11 :: 0.903 HG12 :: 0.903 HG13 :: 0.903 HG21 :: 1.057 HG22 :: 1.057 HG23 :: 1.057 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.261 Ave N Shift Values>> N :: 121.02(4.96) 1.Y142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.19 C 0.14 Y 0.14 R 0.11 L 0.1 I 0.05 D 0.03 C Shift Assignments>> C :: 172.262 CA :: 58.757 CB :: 41.805 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.959 HA :: 4.389 HB2 :: 2.605 HB3 :: 2.974 HD1 :: 7.106 HE1 :: 6.683 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.198 Ave N Shift Values>> N :: 120.79(4.69) 1.A143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 A 0.26 C 0.15 M 0.12 K 0.04 C Shift Assignments>> C :: 175.353 CA :: 51.703 CB :: 22.666 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.642 HA :: 4.883 HB1 :: 1.337 HB2 :: 1.337 HB3 :: 1.337 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 129.804 Ave N Shift Values>> N :: 123.23(3.7) 1.E144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 E 0.27 M 0.21 I 0.01 C Shift Assignments>> C :: 173.860 CA :: 56.296 CB :: 32.509 CG :: 36.619 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.292 HA :: 4.297 HB2 :: 1.656 HB3 :: 1.803 HG2 :: 1.650 HG3 :: 2.260 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.198 Ave N Shift Values>> N :: 120.68(3.68) 1.Y145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.24 F 0.19 E 0.09 I 0.07 N 0.04 D 0.04 L 0.02 M 0.01 HN Overlap>> 1.V51 1.V51 C Shift Assignments>> C :: 175.164 CA :: 57.117 CB :: 38.251 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.006 HA :: 4.125 HB2 :: 2.330 HB3 :: 3.006 HD1 :: 6.910 HE1 :: 7.191 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 128.128 Ave N Shift Values>> N :: 120.79(4.69) 1.V146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 176.777 CA :: 64.226 CB :: 30.868 CG1 :: 22.392 CG2 :: 22.392 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.441 HA :: 3.672 HB :: 1.777 HG11 :: 0.519 HG12 :: 0.519 HG13 :: 0.519 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.808 Ave N Shift Values>> N :: 121.02(4.96) 1.S147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.123 CA :: 63.132 CB :: 62.859 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.359 HA :: 4.007 HB2 :: 4.150 HB3 :: 4.150 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.425 Ave N Shift Values>> N :: 116.3(3.95) 1.E148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 E 0.25 M 0.06 K 0.04 I 0.01 C Shift Assignments>> C :: 176.082 CA :: 52.563 CB :: 29.774 CG :: 37.157 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.177 HA :: 5.055 HB2 :: 1.939 HB3 :: 1.939 HG2 :: 2.329 HG3 :: 2.329 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.620 Ave N Shift Values>> N :: 120.68(3.68) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.41 C 0.03 I 0.01 L 0.01 C Shift Assignments>> C :: 177.437 CA :: 54.466 CB :: 19.111 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.142 HA :: 4.704 HB1 :: 1.660 HB2 :: 1.660 HB3 :: 1.660 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.741 Ave N Shift Values>> N :: 123.23(3.7) 1.T150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.554 CA :: 62.312 CB :: 69.694 CG2 :: 21.845 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.200 HA :: 4.393 HB :: 4.402 HG21 :: 0.785 HG22 :: 0.785 HG23 :: 0.785 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 104.453 Ave N Shift Values>> N :: 115.7(5.05) 1.N151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.21 C 0.15 Y 0.03 L 0.03 F 0.03 C Shift Assignments>> C :: 174.554 CA :: 51.135 CB :: 39.344 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.984 HA :: 4.947 HB2 :: 2.991 HB3 :: 2.991 HD21 :: 7.728 HD22 :: 6.907 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.487 ND2 :: 110.487 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.17 C 0.15 H 0.14 R 0.13 K 0.11 W 0.1 E 0.08 Q 0.08 C Shift Assignments>> C :: 174.381 CA :: 54.854 CB :: 31.415 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.160 HA :: 4.731 HB2 :: 2.843 HB3 :: 3.064 HD2 :: 7.207 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 116.139 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.56 P 0.43 C Shift Assignments>> C :: 173.894 CA :: 61.491 CB :: 32.782 CG :: 25.673 CD :: 49.187 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.335 HB2 :: 1.486 HB3 :: 1.486 HG2 :: 1.360 HD2 :: 3.451 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.N154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 D 0.19 C 0.17 Y 0.14 F 0.12 L 0.06 E 0.01 I 0.01 C Shift Assignments>> C :: 176.568 CA :: 54.656 CB :: 39.071 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.511 HA :: 4.306 HB2 :: 2.798 HB3 :: 2.625 HD21 :: 7.975 HD22 :: 7.562 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.718 ND2 :: 115.756 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.26 I 0.2 C 0.19 L 0.02 E 0.01 D 0.01 C Shift Assignments>> C :: 176.256 CA :: 59.304 CB :: 39.344 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.691 HA :: 4.364 HB2 :: 2.707 HB3 :: 3.326 HD1 :: 6.623 HE1 :: 7.516 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.421 Ave N Shift Values>> N :: 120.79(4.69) 1.E156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.37 I 0.13 M 0.07 K 0.02 C Shift Assignments>> C :: 178.583 CA :: 58.757 CB :: 30.868 CG :: 36.883 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.200 HA :: 4.415 HB2 :: 2.159 HB3 :: 2.159 HG2 :: 2.314 HG3 :: 2.314 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.878 Ave N Shift Values>> N :: 120.68(3.68) 1.K157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 R 0.32 K 0.26 G 0.01 C Shift Assignments>> C :: 176.152 CA :: 60.398 CB :: 30.595 CG :: 26.220 CD :: 29.227 CE :: 42.079 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.718 HA :: 4.095 HB2 :: 1.863 HB3 :: 1.863 HG2 :: 1.537 HG3 :: 1.680 HD2 :: 1.750 HD3 :: 1.839 HE2 :: 3.053 HE3 :: 3.115 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.167 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P158 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.853 CA :: 65.319 CB :: 30.595 CG :: 28.681 CD :: 50.555 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.116(S) HB2 :: 1.506 HB3 :: 1.757 HG2 :: 2.047 HG3 :: 2.082 HD2 :: 3.526 HD3 :: 3.255 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.I159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 I 0.33 C Shift Assignments>> C :: 177.610 CA :: 62.312 CB :: 35.516 CG1 :: 27.587 CG2 :: 17.471 CD1 :: 8.995 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 6.215 HA :: 3.594 HB :: 2.249 HG12 :: 1.614 HG13 :: 1.582 HG21 :: 0.900 HG22 :: 0.900 HG23 :: 0.900 HD11 :: 0.441 HD12 :: 0.441 HD13 :: 0.441 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 113.948 Ave N Shift Values>> N :: 121.6(4.72) 1.E160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.15 K 0.07 Q 0.04 M 0.03 C Shift Assignments>> C :: 179.277 CA :: 59.304 CB :: 29.774 CG :: 36.063 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.572 HA :: 3.876 HB2 :: 2.056 HB3 :: 2.056 HG2 :: 2.353 HG3 :: 2.217 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.104 Ave N Shift Values>> N :: 120.68(3.68) 1.A161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.43 C 0.02 I 0.02 C Shift Assignments>> C :: 179.485 CA :: 54.656 CB :: 18.017 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.902 HA :: 4.137 HB1 :: 1.366 HB2 :: 1.366 HB3 :: 1.366 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.393 Ave N Shift Values>> N :: 123.23(3.7) 1.A162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.43 C 0.03 I 0.01 L 0.01 V 0.01 C Shift Assignments>> C :: 179.485 CA :: 54.656 CB :: 19.111 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.734 HA :: 3.950 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.202 Ave N Shift Values>> N :: 123.23(3.7) 1.K163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.22 M 0.01 G 0.01 C Shift Assignments>> C :: 178.201 CA :: 59.578 CB :: 32.782 CG :: 25.667 CD :: 29.501 CE :: 42.079 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.760 HA :: 3.842 HB2 :: 1.907 HB3 :: 1.866 HG2 :: 1.528 HG3 :: 1.462 HD2 :: 1.630 HD3 :: 1.630 HE2 :: 2.903 HE3 :: 2.859 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.202 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.37 C 0.02 I 0.01 C Shift Assignments>> C :: 178.339 CA :: 53.836 CB :: 18.291 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.216 HA :: 4.215 HB1 :: 1.535 HB2 :: 1.535 HB3 :: 1.535 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.557 Ave N Shift Values>> N :: 123.23(3.7) 1.L165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 C 0.29 L 0.21 R 0.12 A 0.07 C Shift Assignments>> C :: 177.714 CA :: 54.929 CB :: 44.256 CG :: 26.493 CD1 :: 22.392 CD2 :: 27.040 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.503 HA :: 4.432 HB2 :: 1.768 HB3 :: 2.044 HG :: 1.953 HD11 :: 1.028 HD12 :: 1.028 HD13 :: 1.028 HD21 :: 1.031 HD22 :: 1.031 HD23 :: 1.031 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 115.753 Ave N Shift Values>> N :: 121.98(4.07) 1.V166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 175.040 CA :: 62.859 CB :: 32.509 CG1 :: 21.298 CG2 :: 21.298 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.337 HA :: 4.103 HB :: 2.172 HG11 :: 0.965 HG12 :: 0.965 HG13 :: 0.965 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.589 Ave N Shift Values>> N :: 121.02(4.96) 1.K167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.4 R 0.15 M 0.02 C Shift Assignments>> C :: 181.430 CA :: 57.664 CB :: 33.602 CG :: 24.580 CD :: 29.290 CE :: 42.079 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.915 HA :: 4.221 HB2 :: 1.792 HB3 :: 1.883 HG2 :: 1.461 HG3 :: 1.461 HE2 :: 3.054 HE3 :: 3.054 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 130.190 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 158 #Clerical: 0 #Suspicious: 8 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 165 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 167 #Suspicious: 0 C Shift Results: #Consistent: 647 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1084 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 1 N Shift Results: #Consistent: 153 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.K7 H = 11.130(S), Expected = 8.22, Std = 0.6400, ChiSquare = 5.4448e-06 1.T12 H = 10.773(S), Expected = 8.27, Std = 0.6200, ChiSquare = 5.4117e-05 1.I82 HD11 = -0.602(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.4248e-05 1.I82 HD12 = -0.602(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.4248e-05 1.I82 HD13 = -0.602(S), Expected = 0.70, Std = 0.3000, ChiSquare = 1.4248e-05 1.F88 H = 5.565(A), Expected = 8.42, Std = 0.7400, ChiSquare = 1.1427e-04 1.F117 HB2 = 1.655(S), Expected = 2.99, Std = 0.3700, ChiSquare = 3.0844e-04 1.V119 N = 102.475(S), Expected = 121.02, Std = 4.9600, ChiSquare = 1.8482e-04 1.K122 N = 134.955(S), Expected = 121.16, Std = 4.1100, ChiSquare = 7.8951e-04 1.R129 H = 6.254(S), Expected = 8.24, Std = 0.6000, ChiSquare = 9.3296e-04 1.P158 HA = 3.116(S), Expected = 4.41, Std = 0.3600, ChiSquare = 3.2508e-04