Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.35 C 0.35 R 0.23 M 0.03 G 0.01 C Shift Assignments>> C :: 176.911 CA :: 56.637 CB :: 33.127 CG :: 25.035 CD :: 29.566 CE :: 42.514 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>> HA :: 4.449 HB2 :: 1.873 HB3 :: 1.873 HG2 :: 1.485 HG3 :: 1.485 HD2 :: 1.713 HD3 :: 1.713 HE2 :: 3.032 HE3 :: 3.032 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) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.346 CA :: 62.584 CB :: 70.181 CG2 :: 21.797 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 :: 8.154 HA :: 4.335 HB :: 4.171 HG21 :: 1.204 HG22 :: 1.204 HG23 :: 1.204 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 :: 116.054 Ave N Shift Values>> N :: 115.7(5.05) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 K 0.1 M 0.06 C Shift Assignments>> C :: 175.902 CA :: 56.326 CB :: 33.423 CG :: 24.711 CD :: 29.243 CE :: 38.954 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 :: 8.361 HA :: 4.303 HB2 :: 1.816 HB3 :: 1.704 HG2 :: 1.424 HG3 :: 1.424 HD2 :: 1.710 HD3 :: 1.710 HE2 :: 3.002 HE3 :: 3.002 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 :: 124.682 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 175.599 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.367 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.558 Ave N Shift Values>> N :: 123.23(3.7) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.036 CA :: 63.257 CB :: 32.220 CG :: 27.647 CD :: 50.607 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 :: 4.525 HB2 :: 2.325 HB3 :: 1.954 HG2 :: 2.008 HG3 :: 2.008 HD2 :: 3.776 HD3 :: 3.651 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.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.598 CA :: 59.004 CB :: 64.668 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.406 HA :: 4.468 HB2 :: 3.867 HB3 :: 3.867 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 :: 116.480 Ave N Shift Values>> N :: 116.3(3.95) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 176.162 CA :: 61.328 CB :: 39.249 CG1 :: 27.538 CG2 :: 17.787 CD1 :: 13.714 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 :: 8.159 HA :: 4.264 HB :: 1.877 HG12 :: 1.473 HG13 :: 1.181 HG21 :: 0.924 HG22 :: 0.924 HG23 :: 0.924 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 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 :: 122.382 Ave N Shift Values>> N :: 121.6(4.72) 1.S10 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 :: 173.980 CA :: 59.000 CB :: 64.834 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.384 HA :: 4.544 HB2 :: 3.911 HB3 :: 3.911 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 :: 120.306 Ave N Shift Values>> N :: 116.3(3.95) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 174.627 CA :: 59.023 CB :: 38.954 CG1 :: 27.045 CG2 :: 17.266 CD1 :: 12.734 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 :: 8.198 HA :: 4.472 HB :: 1.830 HG12 :: 1.148 HG13 :: 1.470 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 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 :: 124.822 Ave N Shift Values>> N :: 121.6(4.72) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.19 C Shift Assignments>> C :: 176.929 CA :: 63.319 CB :: 32.402 CG :: 27.647 CD :: 51.254 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 :: 4.402 HB2 :: 2.269 HB3 :: 1.881 HG2 :: 2.003 HG3 :: 2.003 HD2 :: 3.630 HD3 :: 3.861 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.H13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.53 C 0.46 HN Overlap>> 1.T58 1.T58 C Shift Assignments>> C :: 174.865 CA :: 56.811 CB :: 30.397 CD2 :: 120.397 CE1 :: 138.005 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 :: 8.384 HA :: 4.518 HB2 :: 3.084 HB3 :: 3.084 HD2 :: 7.036 HE1 :: 8.038 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 :: 119.631 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.19 K 0.12 C 0.1 N 0.09 F 0.08 Y 0.06 R 0.03 HN Overlap>> 1.A79 1.I21 1.Q127 1.C17 1.A79 1.I21 1.Q127 1.C17 C Shift Assignments>> C :: 175.833 CA :: 54.152 CB :: 41.222 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 :: 8.248 HA :: 4.547 HB2 :: 2.575 HB3 :: 2.575 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 :: 120.835 Ave N Shift Values>> N :: 120.73(4.2) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 F 0.32 C 0.27 C Shift Assignments>> C :: 175.527 CA :: 58.363 CB :: 39.601 CD1 :: 132.309 CE1 :: 131.791 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 :: 8.082 HA :: 4.531 HB2 :: 3.076 HB3 :: 3.076 HD1 :: 7.227 HD2 :: 7.227 HE1 :: 7.359 HE2 :: 7.359 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 :: 121.185 Ave N Shift Values>> N :: 120.69(4.18) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 K 0.1 G 0.09 C Shift Assignments>> C :: 175.018 CA :: 55.786 CB :: 30.800 CG :: 27.292 CD :: 43.509 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 :: 8.056 HA :: 4.232 HB2 :: 1.695 HB3 :: 1.695 HG2 :: 1.486 HG3 :: 1.486 HD2 :: 3.118 HD3 :: 3.118 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 :: 123.498 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.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.24 C 0.21 I 0.11 D 0.04 E 0.03 L 0.03 N 0.01 HN Overlap>> 1.D14 1.I21 1.H31 1.Q127 1.D14 1.I21 1.H31 1.Q127 C Shift Assignments>> C :: 175.388 CA :: 57.907 CB :: 39.004 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.275 HA :: 4.424 HB2 :: 3.135 HB3 :: 2.850 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) N Shift Assignments>> N :: 120.924 Ave N Shift Values>> N :: 119.95(4.79) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 175.938 CA :: 61.926 CB :: 34.699 CG1 :: 21.066 CG2 :: 21.066 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 :: 8.151 HA :: 4.314 HB :: 1.930 HG11 :: 0.953 HG12 :: 0.953 HG13 :: 0.953 HG21 :: 0.928 HG22 :: 0.928 HG23 :: 0.928 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 :: 127.748 Ave N Shift Values>> N :: 121.02(4.96) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.240 CA :: 59.841 CB :: 63.530 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.802 HA :: 4.899 HB2 :: 3.990 HB3 :: 3.990 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 :: 128.141 Ave N Shift Values>> N :: 116.3(3.95) 1.A20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.14 M 0.1 A 0.1 K 0.1 R 0.01 C Shift Assignments>> C :: 175.742 CA :: 52.615 CB :: 23.131 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.754 HA :: 4.569 HB1 :: 1.346 HB2 :: 1.346 HB3 :: 1.346 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.076 Ave N Shift Values>> N :: 123.23(3.7) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 HN Overlap>> 1.D14 1.A79 1.D14 1.A79 1.H31 1.Q127 1.C17 1.H31 1.Q127 1.C17 C Shift Assignments>> C :: 176.824 CA :: 62.584 CB :: 38.734 CG1 :: 29.566 CG2 :: 18.237 CD1 :: 13.705 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 :: 8.306 HA :: 4.638 HB :: 1.679 HG12 :: 1.774 HG13 :: 1.774 HG21 :: 1.012 HG22 :: 1.012 HG23 :: 1.012 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 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 :: 120.900 Ave N Shift Values>> N :: 121.6(4.72) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.45 G 0.05 C Shift Assignments>> C :: 174.294 CA :: 59.832 CB :: 42.478 CG2 :: 17.913 CD1 :: 14.676 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 :: 8.826 HA :: 4.878 HB :: 1.908 HG21 :: 0.866 HG22 :: 0.866 HG23 :: 0.866 HD11 :: 0.752 HD12 :: 0.752 HD13 :: 0.752 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 :: 121.360 Ave N Shift Values>> N :: 121.6(4.72) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.18 C 0.18 D 0.17 F 0.16 N 0.14 L 0.07 I 0.02 E 0.01 HN Overlap>> 1.S116 1.S116 C Shift Assignments>> C :: 176.859 CA :: 55.554 CB :: 39.300 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 :: 8.532 HA :: 4.352 HB2 :: 3.002 HB3 :: 2.741 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 :: 115.507 Ave N Shift Values>> N :: 120.73(4.2) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 176.931 CA :: 65.537 CB :: 31.711 CG1 :: 21.766 CG2 :: 21.766 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 :: 7.913 HA :: 3.692 HB :: 2.112 HG11 :: 0.970 HG12 :: 0.970 HG13 :: 0.970 HG21 :: 0.994 HG22 :: 0.994 HG23 :: 0.994 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 :: 114.410 Ave N Shift Values>> N :: 121.02(4.96) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 C 0.14 F 0.14 Y 0.13 N 0.13 L 0.12 K 0.04 I 0.01 C Shift Assignments>> C :: 176.752 CA :: 55.138 CB :: 40.037 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 :: 8.865 HA :: 4.552 HB2 :: 2.738 HB3 :: 2.675 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 :: 115.271 Ave N Shift Values>> N :: 120.73(4.2) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 176.189 CA :: 61.989 CB :: 40.667 CG1 :: 27.300 CG2 :: 17.617 CD1 :: 13.266 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 :: 7.496 HA :: 4.417 HB :: 1.938 HG12 :: 1.361 HG13 :: 1.008 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 HD11 :: 0.798 HD12 :: 0.798 HD13 :: 0.798 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 :: 114.435 Ave N Shift Values>> N :: 121.6(4.72) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.43 C Shift Assignments>> C :: 174.032 CA :: 59.994 CB :: 32.800 CG1 :: 21.797 CG2 :: 21.066 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 :: 7.496 HA :: 4.477 HB :: 2.141 HG11 :: 1.052 HG12 :: 1.052 HG13 :: 1.052 HG21 :: 1.013 HG22 :: 1.013 HG23 :: 1.013 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 :: 120.655 Ave N Shift Values>> N :: 121.02(4.96) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.302 CA :: 63.214 CB :: 32.603 CG :: 27.624 CD :: 50.931 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 :: 4.400 HB2 :: 1.562 HB3 :: 2.266 HG2 :: 1.787 HG3 :: 1.787 HD2 :: 3.753 HD3 :: 3.338 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.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 I 0.17 K 0.06 M 0.03 Q 0.02 C Shift Assignments>> C :: 176.922 CA :: 59.075 CB :: 29.777 CG :: 36.364 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 :: 8.802 HA :: 4.254 HB2 :: 2.150 HB3 :: 2.150 HG2 :: 2.378 HG3 :: 2.378 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 :: 119.208 Ave N Shift Values>> N :: 120.68(3.68) 1.T30 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 :: 173.996 CA :: 62.433 CB :: 70.124 CG2 :: 22.460 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 :: 7.370 HA :: 4.205 HB :: 4.109 HG21 :: 1.290 HG22 :: 1.290 HG23 :: 1.290 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 :: 107.534 Ave N Shift Values>> N :: 115.7(5.05) 1.H31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 H 0.24 HN Overlap>> 1.I21 1.I21 1.C17 1.C17 C Shift Assignments>> C :: 174.392 CA :: 54.450 CB :: 34.400 CD2 :: 118.584 CE1 :: 139.041 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 :: 8.387 HA :: 5.423 HB2 :: 2.986 HB3 :: 2.750 HD2 :: 6.654 HE1 :: 7.702 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 :: 120.928 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 G 0.18 R 0.17 K 0.08 C Shift Assignments>> C :: 172.952 CA :: 55.781 CB :: 34.348 CG :: 26.977 CD :: 43.834 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 :: 9.170 HA :: 4.525 HB2 :: 1.776 HB3 :: 1.544 HG2 :: 1.399 HG3 :: 1.655 HD2 :: 3.031 HD3 :: 3.169 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 :: 120.142 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.R33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.21 K 0.19 C 0.19 Q 0.13 R 0.09 H 0.09 E 0.05 V 0.01 C Shift Assignments>> C :: 173.883 CA :: 55.527 CB :: 32.779 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 :: 10.258(S) HA :: 5.230 HB2 :: 1.955 HB3 :: 1.688 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 :: 131.980 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.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 V 0.41 I 0.01 C Shift Assignments>> C :: 173.668 CA :: 59.940 CB :: 35.213 CG1 :: 22.274 CG2 :: 20.503 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 :: 9.198 HA :: 4.837 HB :: 1.944 HG11 :: 0.870 HG12 :: 0.870 HG13 :: 0.870 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 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 :: 123.390 Ave N Shift Values>> N :: 121.02(4.96) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 G 0.34 R 0.18 K 0.03 C Shift Assignments>> C :: 174.759 CA :: 54.450 CB :: 33.342 CG :: 27.948 CD :: 44.457 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 :: 8.946 HA :: 5.218 HB2 :: 2.049 HB3 :: 1.488 HG2 :: 1.483 HG3 :: 1.331 HD2 :: 3.305 HD3 :: 3.305 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 :: 125.585 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.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 G 0.22 C 0.18 R 0.04 A 0.01 C Shift Assignments>> C :: 175.867 CA :: 53.212 CB :: 43.976 CG :: 27.300 CD1 :: 25.035 CD2 :: 24.063 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 :: 9.333 HA :: 4.749 HB2 :: 1.702 HB3 :: 1.398 HG :: 1.546 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 HD21 :: 0.817 HD22 :: 0.817 HD23 :: 0.817 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 :: 125.752 Ave N Shift Values>> N :: 121.98(4.07) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 R 0.23 K 0.13 C 0.1 D 0.1 F 0.06 Y 0.04 G 0.02 C Shift Assignments>> C :: 173.587 CA :: 55.682 CB :: 42.838 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.158 HA :: 4.652 HB2 :: 2.981 HB3 :: 2.817 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) N Shift Assignments>> N :: 123.015 Ave N Shift Values>> N :: 119.95(4.79) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.31 R 0.3 M 0.02 G 0.01 HN Overlap>> 1.S60 1.S60 C Shift Assignments>> C :: 176.320 CA :: 55.786 CB :: 33.775 CG :: 25.695 CD :: 29.890 CE :: 42.514 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 :: 8.198 HA :: 5.078 HB2 :: 1.681 HB3 :: 1.870 HG2 :: 1.439 HG3 :: 1.309 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 2.970 HE3 :: 2.970 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 :: 110.390 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.62 C 0.37 C Shift Assignments>> C :: 172.807 CA :: 53.579 CB :: 30.537 CD2 :: 120.138 CE1 :: 138.523 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 :: 8.648 HA :: 4.901 HB2 :: 3.154 HB3 :: 2.855 HD2 :: 7.084 HE1 :: 7.997 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 :: 120.671 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 174.303 CA :: 45.672 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.27 V 0.21 P 0.19 T 0.16 I 0.12 C 0.01 C Shift Assignments>> C :: 174.607 CB :: 64.557 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.349 HA :: 4.477 HB2 :: 3.870 HB3 :: 3.870 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 :: 123.498 Ave N Shift Values>> N :: 116.3(3.95) 1.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 K 0.11 C 0.11 N 0.1 F 0.09 Y 0.07 R 0.02 C Shift Assignments>> C :: 176.064 CA :: 54.387 CB :: 41.044 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 :: 8.592 HA :: 4.620 HB2 :: 2.741 HB3 :: 2.571 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 :: 121.620 Ave N Shift Values>> N :: 120.73(4.2) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.31 R 0.25 M 0.02 G 0.01 HN Overlap>> 1.D109 1.D109 C Shift Assignments>> C :: 174.158 CA :: 54.491 CB :: 33.451 CG :: 25.682 CD :: 29.566 CE :: 42.191 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 :: 7.830 HA :: 4.627 HB2 :: 1.815 HB3 :: 1.696 HG2 :: 1.423 HG3 :: 1.302 HD2 :: 1.654 HD3 :: 1.459 HE2 :: 3.027 HE3 :: 2.920 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 :: 120.854 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 177.124 CA :: 62.672 CB :: 32.480 CG :: 27.528 CD :: 50.607 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 :: 4.521 HB2 :: 1.949 HB3 :: 2.328 HG2 :: 2.076 HG3 :: 2.076 HD2 :: 3.654 HD3 :: 3.830 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.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.34 R 0.22 G 0.02 K 0.01 C Shift Assignments>> C :: 178.978 CA :: 58.061 CB :: 42.386 CG :: 27.703 CD1 :: 24.304 CD2 :: 26.006 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 :: 8.674 HA :: 4.007 HB2 :: 1.311 HB3 :: 1.616 HG :: 1.681 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 HD21 :: 0.883 HD22 :: 0.883 HD23 :: 0.883 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 :: 121.159 Ave N Shift Values>> N :: 121.98(4.07) 1.G46 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 :: 175.634 CA :: 47.263 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.282 HA2 :: 3.784 HA3 :: 4.101 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.394 Ave N Shift Values>> N :: 109.91(4.29) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.34 C 0.25 C Shift Assignments>> C :: 170.923 CA :: 56.434 CB :: 41.164 CD1 :: 132.309 CE1 :: 130.237 CZ :: 129.978 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 :: 7.267 HA :: 5.279 HB2 :: 3.114 HB3 :: 2.972 HD1 :: 6.806 HD2 :: 6.806 HE1 :: 6.851 HE2 :: 6.851 HZ :: 7.154 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 :: 116.558 Ave N Shift Values>> N :: 120.69(4.18) 1.Y48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 175.661 CA :: 56.396 CB :: 41.701 CD1 :: 133.085 CE1 :: 118.325 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 :: 8.392 HA :: 4.888 HB2 :: 2.672 HB3 :: 3.260 HD1 :: 7.013 HD2 :: 7.013 HE1 :: 6.706 HE2 :: 6.706 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 :: 119.129 Ave N Shift Values>> N :: 120.79(4.69) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.35 G 0.09 C Shift Assignments>> C :: 174.616 CA :: 59.645 CB :: 42.838 CG1 :: 27.300 CG2 :: 18.884 CD1 :: 14.636 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 :: 8.593 HA :: 5.670 HB :: 1.848 HG12 :: 1.509 HG13 :: 1.509 HG21 :: 0.914 HG22 :: 0.914 HG23 :: 0.914 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 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 :: 113.490 Ave N Shift Values>> N :: 121.6(4.72) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.21 R 0.19 G 0.12 C Shift Assignments>> C :: 174.570 CA :: 54.387 CB :: 34.044 CG :: 27.982 CD :: 43.427 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 :: 9.410 HA :: 5.025 HB2 :: 2.075 HB3 :: 1.848 HG2 :: 1.455 HG3 :: 1.688 HD2 :: 3.249 HD3 :: 3.122 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 :: 116.815 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.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.17 D 0.17 K 0.13 C 0.1 F 0.05 Y 0.04 N 0.02 G 0.01 C Shift Assignments>> C :: 176.055 CA :: 54.491 CB :: 42.593 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 :: 8.672 HA :: 5.386 HB2 :: 2.966 HB3 :: 2.824 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 :: 120.545 Ave N Shift Values>> N :: 120.73(4.2) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 172.837 CA :: 45.884 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.478 HA2 :: 4.338 HA3 :: 3.923 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.027 Ave N Shift Values>> N :: 109.91(4.29) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 173.721 CA :: 61.609 CB :: 71.678 CG2 :: 22.274 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 :: 8.382 HA :: 4.990 HB :: 3.896 HG21 :: 1.094 HG22 :: 1.094 HG23 :: 1.094 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 :: 115.787 Ave N Shift Values>> N :: 115.7(5.05) 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>> C :: 173.650 CA :: 57.365 CB :: 65.214 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.314 HA :: 4.744 HB2 :: 3.862 HB3 :: 3.690 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 :: 120.809 Ave N Shift Values>> N :: 116.3(3.95) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.3 M 0.03 C Shift Assignments>> C :: 175.813 CA :: 61.863 CB :: 33.922 CG2 :: 21.796 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 :: 8.524 HA :: 4.785 HB :: 1.972 HG11 :: 0.920 HG12 :: 0.920 HG13 :: 0.920 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 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 :: 121.771 Ave N Shift Values>> N :: 121.02(4.96) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.27 G 0.16 K 0.11 C Shift Assignments>> C :: 174.627 CA :: 54.767 CB :: 33.479 CG :: 27.300 CD :: 43.738 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 :: 8.909 HA :: 4.719 HB2 :: 1.736 HB3 :: 1.798 HG2 :: 1.314 HG3 :: 1.533 HD2 :: 3.000 HD3 :: 3.161 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 :: 126.563 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.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 HN Overlap>> 1.K64 1.K64 C Shift Assignments>> C :: 176.302 CA :: 63.257 CB :: 32.547 CG1 :: 21.796 CG2 :: 21.074 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 :: 8.612 HA :: 4.234 HB :: 2.003 HG11 :: 0.918 HG12 :: 0.918 HG13 :: 0.918 HG21 :: 0.975 HG22 :: 0.975 HG23 :: 0.975 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 :: 124.269 Ave N Shift Values>> N :: 121.02(4.96) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.23 HN Overlap>> 1.H13 1.H13 C Shift Assignments>> C :: 175.366 CA :: 60.279 CB :: 72.415 CG2 :: 21.319 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 :: 8.358 HA :: 4.837 HB :: 4.557 HG21 :: 1.143 HG22 :: 1.143 HG23 :: 1.143 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 :: 119.525 Ave N Shift Values>> N :: 115.7(5.05) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.46 C 0.03 I 0.02 C Shift Assignments>> C :: 178.789 CA :: 54.626 CB :: 18.560 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.838 HA :: 4.189 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 :: 122.956 Ave N Shift Values>> N :: 123.23(3.7) 1.S60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K38 1.K38 C Shift Assignments>> C :: 173.996 CA :: 58.401 CB :: 64.035 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.102 HA :: 4.471 HB2 :: 3.863 HB3 :: 3.863 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 :: 110.427 Ave N Shift Values>> N :: 116.3(3.95) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 172.845 CA :: 45.142 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.636 HA2 :: 3.799 HA3 :: 4.413 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.662 Ave N Shift Values>> N :: 109.91(4.29) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.26 R 0.22 G 0.05 C Shift Assignments>> C :: 177.136 CA :: 55.084 CB :: 43.079 CG :: 28.083 CD1 :: 25.617 CD2 :: 24.901 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 :: 8.430 HA :: 4.849 HB2 :: 1.655 HB3 :: 1.408 HG :: 1.600 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 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 :: 123.241 Ave N Shift Values>> N :: 121.98(4.07) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.21 E 0.2 C Shift Assignments>> C :: 175.293 CA :: 55.717 CB :: 33.129 CG :: 36.688 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 :: 9.088 HA :: 4.658 HB2 :: 1.863 HB3 :: 2.025 HG2 :: 2.152 HG3 :: 2.215 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 :: 124.591 Ave N Shift Values>> N :: 120.68(3.68) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.44 R 0.08 G 0.01 HN Overlap>> 1.V57 1.V57 C Shift Assignments>> C :: 176.448 CA :: 56.796 CB :: 34.004 CG :: 25.020 CE :: 42.191 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 :: 8.627 HA :: 5.072 HB2 :: 1.868 HB3 :: 1.675 HG2 :: 1.388 HG3 :: 1.388 HE2 :: 3.035 HE3 :: 2.959 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 :: 124.269 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 M 0.25 E 0.24 Q 0.04 K 0.03 C Shift Assignments>> C :: 175.905 CA :: 53.197 CB :: 31.185 CG :: 36.077 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 :: 8.786 HA :: 4.999 HB2 :: 2.156 HB3 :: 1.903 HG2 :: 2.377 HG3 :: 2.377 HE21 :: 7.583 HE22 :: 6.764 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 :: 122.747 NE2 :: 111.932 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> CA :: 63.200 CB :: 32.858 CG :: 27.989 CD :: 50.931 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 :: 4.987 HB2 :: 2.511 HB3 :: 2.062 HG2 :: 2.166 HG3 :: 2.166 HD2 :: 3.879 HD3 :: 3.779 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.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 171.397 CA :: 45.240 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.488 HA2 :: 4.397 HA3 :: 3.606 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.926 Ave N Shift Values>> N :: 109.91(4.29) 1.I68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.45 A 0.01 C Shift Assignments>> C :: 174.472 CA :: 59.139 CB :: 39.249 CG1 :: 27.293 CG2 :: 18.572 CD1 :: 11.408 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 :: 8.583 HA :: 4.925 HB :: 1.733 HG12 :: 1.340 HG13 :: 1.413 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 HD11 :: 0.777 HD12 :: 0.777 HD13 :: 0.777 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 :: 122.241 Ave N Shift Values>> N :: 121.6(4.72) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 G 0.28 F 0.2 Y 0.17 C Shift Assignments>> C :: 175.984 CA :: 55.800 CB :: 43.800 CD2 :: 132.050 CE2 :: 130.496 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 :: 9.076 HA :: 5.412 HB2 :: 2.450 HB3 :: 2.764 HD1 :: 6.971 HD2 :: 6.971 HE1 :: 7.036 HE2 :: 7.036 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 :: 123.200 Ave N Shift Values>> N :: 120.69(4.18) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> 1.L104 1.L104 C Shift Assignments>> C :: 177.083 CA :: 62.115 CB :: 36.213 CG1 :: 27.560 CG2 :: 17.378 CD1 :: 12.410 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 :: 8.979 HA :: 4.503 HB :: 2.396 HG12 :: 1.491 HG13 :: 1.203 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 HD11 :: 0.420 HD12 :: 0.420 HD13 :: 0.420 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 :: 121.185 Ave N Shift Values>> N :: 121.6(4.72) 1.S71 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 :: 175.072 CA :: 58.727 CB :: 64.850 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.644 HA :: 4.757 HB2 :: 3.956 HB3 :: 3.499 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 :: 125.791 Ave N Shift Values>> N :: 116.3(3.95) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.24 G 0.15 K 0.11 C Shift Assignments>> C :: 173.712 CA :: 56.610 CB :: 33.650 CG :: 27.624 CD :: 43.886 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 :: 7.272 HA :: 4.463 HB2 :: 1.727 HB3 :: 1.973 HG2 :: 1.595 HG3 :: 1.482 HD2 :: 3.017 HD3 :: 3.017 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 :: 119.386 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.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.23 G 0.19 K 0.09 R 0.06 C Shift Assignments>> C :: 176.385 CA :: 53.563 CB :: 43.820 CG :: 28.145 CD1 :: 24.304 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 :: 8.995 HA :: 4.991 HB2 :: 1.398 HB3 :: 1.810 HG :: 1.587 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 HD21 :: 0.706 HD22 :: 0.706 HD23 :: 0.706 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 :: 124.269 Ave N Shift Values>> N :: 121.98(4.07) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.43 C Shift Assignments>> C :: 174.825 CA :: 60.642 CB :: 33.775 CG1 :: 20.179 CG2 :: 22.121 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 :: 7.918 HA :: 4.238 HB :: 1.805 HG11 :: 1.014 HG12 :: 1.014 HG13 :: 1.014 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 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 :: 123.832 Ave N Shift Values>> N :: 121.02(4.96) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.56 C 0.42 S 0.01 C Shift Assignments>> C :: 178.207 CA :: 64.035 CB :: 31.709 CG :: 27.925 CD :: 52.225 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 :: 4.522 HB2 :: 2.401 HB3 :: 1.962 HG2 :: 2.199 HG3 :: 2.057 HD2 :: 4.185 HD3 :: 3.746 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.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 175.312 CA :: 45.658 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.508 HA2 :: 4.222 HA3 :: 3.746 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.760 Ave N Shift Values>> N :: 109.91(4.29) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.16 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 174.141 CA :: 44.780 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.040 HA2 :: 4.292 HA3 :: 3.885 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.059 Ave N Shift Values>> N :: 109.91(4.29) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.34 R 0.17 G 0.04 C Shift Assignments>> C :: 180.131 CA :: 58.378 CB :: 42.838 CG :: 27.624 CD1 :: 25.283 CD2 :: 22.714 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 :: 8.888 HA :: 4.137 HB2 :: 1.771 HB3 :: 1.720 HG :: 1.600 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 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 :: 120.671 Ave N Shift Values>> N :: 121.98(4.07) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.2 I 0.06 C 0.05 V 0.04 T 0.02 L 0.01 HN Overlap>> 1.D14 1.D14 1.I21 1.Q127 1.I21 1.Q127 C Shift Assignments>> C :: 179.103 CA :: 56.414 CB :: 19.193 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.298 HA :: 3.848 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.805 Ave N Shift Values>> N :: 123.23(3.7) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 I 0.25 M 0.03 K 0.02 C Shift Assignments>> C :: 178.932 CA :: 59.899 CB :: 30.420 CG :: 37.012 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 :: 9.268 HA :: 3.959 HB2 :: 2.039 HB3 :: 2.210 HG2 :: 2.235 HG3 :: 2.235 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 :: 119.192 Ave N Shift Values>> N :: 120.68(3.68) 1.S81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.654 CA :: 62.053 CB :: 63.502 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.557 HA :: 4.218 HB2 :: 4.017 HB3 :: 4.017 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 :: 114.408 Ave N Shift Values>> N :: 116.3(3.95) 1.T82 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 :: 176.859 CA :: 63.231 CB :: 71.324 CG2 :: 22.154 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 :: 7.836 HA :: 4.327 HB :: 4.157 HG21 :: 1.439 HG22 :: 1.439 HG23 :: 1.439 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 :: 108.924 Ave N Shift Values>> N :: 115.7(5.05) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 175.661 CA :: 46.658 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.607 HA2 :: 4.057 HA3 :: 4.057 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.187 Ave N Shift Values>> N :: 109.91(4.29) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.3 G 0.14 K 0.02 A 0.02 C Shift Assignments>> C :: 175.965 CA :: 56.541 CB :: 43.616 CD1 :: 26.006 CD2 :: 22.666 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 :: 7.692 HA :: 4.115 HB2 :: 1.433 HB3 :: 1.433 HD11 :: 0.735 HD12 :: 0.735 HD13 :: 0.735 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 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 :: 117.505 Ave N Shift Values>> N :: 121.98(4.07) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 G 0.24 L 0.16 A 0.09 C Shift Assignments>> C :: 174.025 CA :: 53.024 CB :: 47.532 CG :: 26.653 CD1 :: 26.006 CD2 :: 23.468 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 :: 7.171 HA :: 4.486 HB2 :: 1.042 HB3 :: 1.042 HG :: 1.156 HD11 :: 0.108 HD12 :: 0.108 HD13 :: 0.108 HD21 :: 0.623 HD22 :: 0.623 HD23 :: 0.623 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 :: 115.016 Ave N Shift Values>> N :: 121.98(4.07) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 A 0.31 C 0.2 M 0.09 K 0.03 C Shift Assignments>> C :: 176.279 CA :: 50.520 CB :: 22.794 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.846 HA :: 4.602 HB1 :: 1.350 HB2 :: 1.350 HB3 :: 1.350 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.526 Ave N Shift Values>> N :: 123.23(3.7) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 C Shift Assignments>> C :: 176.654 CA :: 65.474 CB :: 31.470 CG1 :: 23.229 CG2 :: 21.474 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 :: 8.162 HA :: 3.214 HB :: 1.828 HG11 :: 0.961 HG12 :: 0.961 HG13 :: 0.961 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 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 :: 118.800 Ave N Shift Values>> N :: 121.02(4.96) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.23 Y 0.18 F 0.1 I 0.05 M 0.05 N 0.04 K 0.02 D 0.01 C Shift Assignments>> C :: 175.393 CA :: 56.805 CB :: 37.095 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 :: 9.088 HA :: 4.286 HB2 :: 3.488 HB3 :: 3.028 HD21 :: 7.642 HD22 :: 6.956 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 :: 116.783 ND2 :: 114.759 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 Y 0.15 K 0.15 L 0.14 C 0.14 D 0.13 R 0.02 I 0.02 N 0.02 C Shift Assignments>> C :: 175.688 CA :: 56.794 CB :: 40.863 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 :: 8.202 HA :: 4.545 HB2 :: 2.845 HB3 :: 2.125 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 :: 123.149 Ave N Shift Values>> N :: 120.73(4.2) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.19 C 0.17 H 0.15 R 0.15 K 0.13 E 0.09 Q 0.08 C Shift Assignments>> C :: 176.591 CA :: 54.756 CB :: 31.509 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 :: 8.242 HA :: 4.301 HB2 :: 1.859 HB3 :: 1.744 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 :: 123.621 Ave N Shift Values>> N :: 120.68(3.68) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 173.837 CA :: 63.953 CB :: 32.156 CG1 :: 22.154 CG2 :: 21.474 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 :: 8.998 HA :: 3.677 HB :: 1.712 HG11 :: 0.690 HG12 :: 0.690 HG13 :: 0.690 HG21 :: 0.700 HG22 :: 0.700 HG23 :: 0.700 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 :: 128.318 Ave N Shift Values>> N :: 121.02(4.96) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.49 C Shift Assignments>> C :: 177.923 CA :: 60.560 CB :: 38.702 CG1 :: 26.329 CG2 :: 17.824 CD1 :: 9.820 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 :: 9.033 HA :: 4.427 HB :: 1.679 HG12 :: 0.886 HG13 :: 0.836 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 HD11 :: 0.411 HD12 :: 0.411 HD13 :: 0.411 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 :: 123.755 Ave N Shift Values>> N :: 121.6(4.72) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.95 M 0.03 E 0.01 C Shift Assignments>> C :: 174.830 CA :: 55.331 CB :: 35.837 CG :: 36.364 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 :: 7.872 HA :: 5.179 HB2 :: 1.877 HB3 :: 1.691 HG2 :: 1.962 HG3 :: 1.962 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 :: 119.703 Ave N Shift Values>> N :: 120.68(3.68) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 175.438 CA :: 61.863 CB :: 35.208 CG1 :: 22.035 CG2 :: 22.632 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 :: 8.750 HA :: 4.606 HB :: 1.943 HG11 :: 0.794 HG12 :: 0.794 HG13 :: 0.794 HG21 :: 0.766 HG22 :: 0.766 HG23 :: 0.766 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 :: 121.582 Ave N Shift Values>> N :: 121.02(4.96) 1.N95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 N 0.21 Y 0.16 E 0.1 F 0.1 D 0.07 M 0.03 I 0.02 L 0.01 C Shift Assignments>> C :: 174.821 CA :: 55.139 CB :: 37.751 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 :: 10.183 HA :: 4.157 HB2 :: 3.010 HB3 :: 2.661 HD21 :: 7.598 HD22 :: 7.319 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 :: 126.463 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.686 CA :: 45.750 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.246 HA2 :: 4.083 HA3 :: 3.625 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.310 Ave N Shift Values>> N :: 109.91(4.29) 1.I97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 175.929 CA :: 59.645 CB :: 38.306 CG1 :: 26.998 CG2 :: 17.736 CD1 :: 11.763 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 :: 7.970 HA :: 4.285 HB :: 2.090 HG12 :: 1.490 HG13 :: 1.192 HG21 :: 0.940 HG22 :: 0.940 HG23 :: 0.940 HD11 :: 0.854 HD12 :: 0.854 HD13 :: 0.854 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 :: 122.600 Ave N Shift Values>> N :: 121.6(4.72) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.37 I 0.13 M 0.05 K 0.02 C Shift Assignments>> C :: 177.377 CA :: 57.688 CB :: 30.350 CG :: 37.335 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 :: 8.888 HA :: 4.497 HB2 :: 2.236 HB3 :: 2.143 HG2 :: 2.318 HG3 :: 2.498 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 :: 127.113 Ave N Shift Values>> N :: 120.68(3.68) 1.V99 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 :: 175.545 CA :: 62.180 CB :: 31.230 CG1 :: 22.632 CG2 :: 19.855 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 :: 7.456 HA :: 4.027 HB :: 2.262 HG11 :: 0.765 HG12 :: 0.765 HG13 :: 0.765 HG21 :: 0.701 HG22 :: 0.701 HG23 :: 0.701 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 :: 113.546 Ave N Shift Values>> N :: 121.02(4.96) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.4 C 0.02 I 0.01 C Shift Assignments>> C :: 178.620 CA :: 54.070 CB :: 18.308 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.635 HA :: 4.187 HB1 :: 1.372 HB2 :: 1.372 HB3 :: 1.372 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.006 Ave N Shift Values>> N :: 123.23(3.7) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 174.696 CA :: 45.659 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.851 HA2 :: 4.206 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 :: 111.697 Ave N Shift Values>> N :: 109.91(4.29) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.34 K 0.23 G 0.03 M 0.01 C Shift Assignments>> C :: 176.841 CA :: 55.189 CB :: 34.283 CG :: 26.453 CD :: 29.566 CE :: 42.838 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 :: 8.048 HA :: 4.746 HB2 :: 1.965 HB3 :: 1.833 HG2 :: 1.305 HG3 :: 1.305 HD2 :: 1.586 HD3 :: 1.459 HE2 :: 2.978 HE3 :: 2.978 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 :: 120.368 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 175.902 CA :: 60.659 CB :: 71.559 CG2 :: 22.393 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 :: 8.588 HA :: 4.514 HB :: 4.764 HG21 :: 1.338 HG22 :: 1.338 HG23 :: 1.338 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 :: 111.136 Ave N Shift Values>> N :: 115.7(5.05) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.37 R 0.06 G 0.01 HN Overlap>> 1.I70 1.I70 C Shift Assignments>> C :: 179.988 CA :: 59.075 CB :: 41.906 CG :: 26.977 CD1 :: 24.781 CD2 :: 25.035 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 :: 8.972 HA :: 3.893 HB2 :: 1.729 HB3 :: 1.823 HG :: 1.746 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 121.185 Ave N Shift Values>> N :: 121.98(4.07) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 C 0.16 L 0.1 K 0.09 D 0.08 I 0.06 N 0.01 R 0.01 C Shift Assignments>> C :: 178.414 CA :: 57.618 CB :: 40.443 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 :: 8.434 HA :: 4.365 HB2 :: 2.739 HB3 :: 2.526 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 :: 117.795 Ave N Shift Values>> N :: 120.73(4.2) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.26 K 0.15 Q 0.14 I 0.08 M 0.03 R 0.01 C Shift Assignments>> C :: 179.943 CA :: 59.075 CB :: 29.316 CG :: 35.069 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 :: 7.715 HA :: 4.123 HB2 :: 2.540 HB3 :: 1.912 HG2 :: 2.536 HG3 :: 2.480 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 :: 119.409 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V107 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 :: 178.164 CA :: 67.058 CB :: 31.350 CG1 :: 22.800 CG2 :: 24.000 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 :: 8.432 HA :: 3.777 HB :: 2.120 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 HG21 :: 0.997 HG22 :: 0.997 HG23 :: 0.997 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 :: 121.212 Ave N Shift Values>> N :: 121.02(4.96) 1.T108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.663 CA :: 68.261 CB :: 68.084 CG2 :: 21.916 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 :: 8.752 HA :: 4.391 HB :: 3.798 HG21 :: 1.238 HG22 :: 1.238 HG23 :: 1.238 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 :: 118.486 Ave N Shift Values>> N :: 115.7(5.05) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 C 0.16 K 0.12 L 0.1 D 0.07 I 0.06 R 0.02 HN Overlap>> 1.K43 1.K43 C Shift Assignments>> C :: 179.318 CA :: 57.891 CB :: 40.691 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 :: 7.903 HA :: 4.400 HB2 :: 2.628 HB3 :: 2.812 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 :: 120.777 Ave N Shift Values>> N :: 120.73(4.2) 1.M110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.39 I 0.07 C Shift Assignments>> C :: 178.655 CA :: 59.569 CB :: 34.300 CG :: 31.509 CE :: 17.265 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 :: 7.800 HA :: 4.113 HB2 :: 2.079 HB3 :: 2.411 HG2 :: 2.867 HG3 :: 2.609 HE1 :: 1.983 HE2 :: 1.983 HE3 :: 1.983 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 :: 118.692 Ave N Shift Values>> N :: 120.1(3.88) 1.M111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.4 C Shift Assignments>> C :: 177.852 CA :: 59.248 CB :: 33.222 CG :: 33.451 CE :: 17.589 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 :: 8.014 HA :: 4.029 HB2 :: 1.925 HB3 :: 2.397 HG2 :: 2.986 HG3 :: 2.986 HE1 :: 1.878 HE2 :: 1.878 HE3 :: 1.878 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 :: 117.479 Ave N Shift Values>> N :: 120.1(3.88) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 178.316 CA :: 64.506 CB :: 31.710 CG1 :: 21.066 CG2 :: 21.474 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 :: 8.009 HA :: 3.928 HB :: 2.257 HG11 :: 0.935 HG12 :: 0.935 HG13 :: 0.935 HG21 :: 1.029 HG22 :: 1.029 HG23 :: 1.029 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 :: 115.601 Ave N Shift Values>> N :: 121.02(4.96) 1.A113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.47 M 0.45 C 0.03 I 0.01 C Shift Assignments>> C :: 178.227 CA :: 54.672 CB :: 18.884 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.792 HA :: 4.173 HB1 :: 1.467 HB2 :: 1.467 HB3 :: 1.467 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.074 Ave N Shift Values>> N :: 123.23(3.7) 1.N114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 N 0.25 C 0.13 L 0.1 F 0.09 Y 0.09 K 0.02 C Shift Assignments>> C :: 175.563 CA :: 53.844 CB :: 39.925 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 :: 7.642 HA :: 4.912 HB2 :: 3.154 HB3 :: 2.580 HD21 :: 7.642 HD22 :: 6.990 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 :: 115.343 ND2 :: 114.502 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S115 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 :: 174.782 CA :: 61.033 CB :: 64.203 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.992 HA :: 4.207 HB2 :: 4.036 HB3 :: 4.036 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 :: 114.759 Ave N Shift Values>> N :: 116.3(3.95) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D23 1.D23 C Shift Assignments>> C :: 174.463 CA :: 60.248 CB :: 64.200 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.425 HA :: 4.484 HB2 :: 3.926 HB3 :: 3.926 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 :: 115.530 Ave N Shift Values>> N :: 116.3(3.95) 1.N117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 D 0.28 C 0.13 L 0.08 Y 0.08 F 0.08 K 0.01 C Shift Assignments>> C :: 172.523 CA :: 53.609 CB :: 39.786 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 :: 7.925 HA :: 4.897 HB2 :: 2.761 HB3 :: 2.562 HD21 :: 7.555 HD22 :: 6.812 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 :: 118.766 ND2 :: 110.904 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 C 0.3 R 0.19 L 0.16 C Shift Assignments>> C :: 174.515 CA :: 55.095 CB :: 44.513 CG :: 27.948 CD1 :: 25.130 CD2 :: 27.624 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 :: 8.478 HA :: 4.758 HB2 :: 1.581 HB3 :: 1.990 HG :: 1.544 HD11 :: 1.113 HD12 :: 1.113 HD13 :: 1.113 HD21 :: 1.095 HD22 :: 1.095 HD23 :: 1.095 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 :: 125.229 Ave N Shift Values>> N :: 121.98(4.07) 1.I119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.715 CA :: 59.700 CB :: 39.546 CG1 :: 28.013 CG2 :: 17.913 CD1 :: 13.104 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 :: 7.264 HA :: 5.236 HB :: 1.683 HG12 :: 1.592 HG13 :: 1.592 HG21 :: 0.787 HG22 :: 0.787 HG23 :: 0.787 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 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 :: 127.076 Ave N Shift Values>> N :: 121.6(4.72) 1.I120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 I 0.38 G 0.04 A 0.01 C Shift Assignments>> C :: 174.070 CA :: 59.003 CB :: 42.514 CG1 :: 27.948 CG2 :: 17.842 CD1 :: 14.751 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 :: 9.372 HA :: 5.091 HB :: 1.618 HG12 :: 1.716 HG13 :: 1.716 HG21 :: 0.916 HG22 :: 0.916 HG23 :: 0.916 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 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 :: 127.529 Ave N Shift Values>> N :: 121.6(4.72) 1.T121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 174.633 CA :: 61.609 CB :: 69.403 CG2 :: 22.393 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 :: 8.801 HA :: 5.404 HB :: 3.919 HG21 :: 1.150 HG22 :: 1.150 HG23 :: 1.150 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 :: 123.554 Ave N Shift Values>> N :: 115.7(5.05) 1.V122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 A 0.05 V 0.04 I 0.04 C Shift Assignments>> C :: 175.188 CA :: 57.994 CB :: 36.197 CG1 :: 21.796 CG2 :: 17.913 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 :: 9.673 HA :: 5.688 HB :: 1.873 HG11 :: 0.699 HG12 :: 0.699 HG13 :: 0.699 HG21 :: 0.779 HG22 :: 0.779 HG23 :: 0.779 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 :: 120.589 Ave N Shift Values>> N :: 121.02(4.96) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.33 R 0.23 G 0.05 M 0.03 C Shift Assignments>> CA :: 53.197 CB :: 34.098 CG :: 25.035 CD :: 29.890 CE :: 42.745 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 :: 9.095 HA :: 5.128 HB2 :: 1.395 HB3 :: 1.915 HG2 :: 1.139 HG3 :: 1.244 HD2 :: 1.638 HD3 :: 1.638 HE2 :: 2.959 HE3 :: 2.901 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 :: 122.104 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.45 S 0.01 C Shift Assignments>> C :: 176.858 CA :: 62.783 CB :: 33.127 CG :: 27.624 CD :: 52.200 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 :: 4.410 HB2 :: 1.912 HB3 :: 2.293 HG2 :: 2.005 HG3 :: 1.676 HD2 :: 3.949 HD3 :: 3.891 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.A125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.31 C 0.03 C Shift Assignments>> C :: 178.548 CA :: 53.690 CB :: 19.196 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.487 HA :: 4.236 HB1 :: 1.423 HB2 :: 1.423 HB3 :: 1.423 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.466 Ave N Shift Values>> N :: 123.23(3.7) 1.N126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.19 C 0.15 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 174.946 CA :: 53.310 CB :: 38.889 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 :: 8.528 HA :: 4.706 HB2 :: 2.803 HB3 :: 2.803 HD21 :: 7.598 HD22 :: 6.884 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 :: 116.048 ND2 :: 112.960 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.24 C 0.24 K 0.19 E 0.15 M 0.11 R 0.02 HN Overlap>> 1.D14 1.A79 1.I21 1.D14 1.A79 1.I21 1.C17 1.C17 C Shift Assignments>> C :: 175.089 CA :: 56.270 CB :: 29.890 CG :: 34.150 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 :: 8.276 HA :: 4.335 HB2 :: 2.177 HB3 :: 1.952 HG2 :: 2.373 HG3 :: 2.191 HE21 :: 7.628 HE22 :: 6.961 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 :: 120.880 NE2 :: 112.960 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R128 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 181.057 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 :: 7.976 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 :: 127.618 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) ########################################################################### Overall Results: #Consistent: 127 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 124 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 128 #Suspicious: 0 C Shift Results: #Consistent: 529 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 868 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 123 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.R33 H = 10.258(S), Expected = 8.24, Std = 0.6000, ChiSquare = 7.7007e-04