Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.55 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.700 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.865 HA3 :: 3.865 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.96 I 0.03 C Shift Assignments>> CA :: 60.222 CB :: 38.274 CG1 :: 26.368 CG2 :: 12.313 CD1 :: 16.758 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>> HA :: 4.120 HB :: 1.728 HG12 :: 1.074 HG13 :: 1.347 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 0.763 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 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.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.32 C 0.13 L 0.1 F 0.04 Y 0.03 K 0.02 HN Overlap>> 1.L197 1.L197 C Shift Assignments>> CA :: 51.417 CB :: 40.592 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 :: 8.373 HA :: 4.798 HB2 :: 2.470 HB3 :: 2.670 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 :: 126.360 Ave N Shift Values>> N :: 120.73(4.2) 1.P4 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 :: 62.827 CB :: 31.217 CG :: 26.220 CD :: 50.078 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 :: 4.254 HB2 :: 1.602 HB3 :: 2.092 HG2 :: 1.704 HG3 :: 1.845 HD2 :: 3.676 HD3 :: 3.795 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.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 C 0.36 Y 0.23 C Shift Assignments>> CA :: 57.536 CB :: 38.378 CD1 :: 131.705 CD2 :: 131.705 CE1 :: 131.558 CE2 :: 131.558 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 :: 8.160 HA :: 4.532 HB2 :: 3.106 HB3 :: 2.986 HD1 :: 7.217 HD2 :: 7.217 HE1 :: 7.256 HE2 :: 7.256 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 :: 118.670 Ave N Shift Values>> N :: 120.69(4.18) 1.T6 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>> CA :: 61.540 CB :: 69.207 CG2 :: 20.738 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 :: 8.040 HA :: 4.201 HB :: 4.138 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 :: 114.725 Ave N Shift Values>> N :: 115.7(5.05) 1.M7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.38 A 0.12 HN Overlap>> 1.D83 1.D83 1.L177 1.D207 1.L139 1.L177 1.D207 1.L139 C Shift Assignments>> C :: 176.096 CA :: 55.080 CB :: 32.180 CG :: 31.290 CE :: 16.269 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 :: 8.153 HA :: 4.401 HB2 :: 2.045 HB3 :: 1.962 HG2 :: 2.464 HG3 :: 2.533 HE1 :: 1.899 HE2 :: 1.899 HE3 :: 1.899 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 :: 122.089 Ave N Shift Values>> N :: 120.1(3.88) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 HN Overlap>> 1.A45 1.A45 C Shift Assignments>> C :: 175.147 CA :: 61.201 CB :: 31.904 CG1 :: 20.572 CG2 :: 19.517 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 :: 7.977 HA :: 4.111 HB :: 2.059 HG11 :: 0.868 HG12 :: 0.868 HG13 :: 0.868 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 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 :: 119.895 Ave N Shift Values>> N :: 121.02(4.96) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.13 C 0.02 C Shift Assignments>> C :: 176.726 CA :: 51.431 CB :: 19.295 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.855 HA :: 4.282 HB1 :: 1.105 HB2 :: 1.105 HB3 :: 1.105 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.911 Ave N Shift Values>> N :: 123.23(3.7) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 G 0.21 C 0.16 A 0.02 R 0.01 C Shift Assignments>> C :: 176.191 CA :: 52.967 CB :: 43.866 CG :: 26.479 CD1 :: 24.161 CD2 :: 23.744 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 :: 8.731 HA :: 4.709 HB2 :: 1.582 HB3 :: 1.292 HG :: 1.479 HD11 :: 0.696 HD12 :: 0.696 HD13 :: 0.696 HD21 :: 0.719 HD22 :: 0.719 HD23 :: 0.719 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 :: 122.238 Ave N Shift Values>> N :: 121.98(4.07) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.738 CA :: 56.406 CB :: 62.313 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.655 HA :: 4.893 HB2 :: 3.550 HB3 :: 3.600 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 :: 119.987 Ave N Shift Values>> N :: 116.3(3.95) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.2 C 0.09 A 0.01 C Shift Assignments>> C :: 175.249 CA :: 52.031 CB :: 45.171 CD1 :: 25.533 CD2 :: 24.238 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 :: 8.892 HA :: 4.982 HB2 :: 1.331 HB3 :: 1.640 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 HD21 :: 0.881 HD22 :: 0.881 HD23 :: 0.881 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 :: 126.384 Ave N Shift Values>> N :: 121.98(4.07) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.35 R 0.16 M 0.03 HN Overlap>> 1.N129 1.N129 C Shift Assignments>> C :: 174.677 CA :: 55.280 CB :: 32.276 CG :: 24.724 CD :: 28.642 CE :: 41.388 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 :: 8.677 HA :: 4.500 HB2 :: 1.820 HB3 :: 1.337 HG2 :: 1.198 HG3 :: 1.141 HD2 :: 1.460 HD3 :: 1.460 HE2 :: 2.798 HE3 :: 2.798 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 :: 121.121 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 I 0.16 A 0.08 C Shift Assignments>> C :: 175.479 CA :: 56.671 CB :: 36.370 CG1 :: 26.113 CG2 :: 16.617 CD1 :: 10.481 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 :: 9.032 HA :: 4.912 HB :: 2.079 HG12 :: 1.411 HG13 :: 1.661 HG21 :: 0.743 HG22 :: 0.743 HG23 :: 0.743 HD11 :: 0.719 HD12 :: 0.719 HD13 :: 0.719 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 :: 124.269 Ave N Shift Values>> N :: 121.6(4.72) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.271 CA :: 55.427 CB :: 63.866 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.854 HA :: 5.295 HB2 :: 3.577 HB3 :: 3.660 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 :: 121.649 Ave N Shift Values>> N :: 116.3(3.95) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 176.527 CA :: 59.662 CB :: 38.844 CG1 :: 27.367 CG2 :: 17.208 CD1 :: 14.670 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 :: 8.889 HA :: 4.624 HB :: 1.820 HG12 :: 1.187 HG13 :: 1.585 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 HD11 :: 0.688 HD12 :: 0.688 HD13 :: 0.688 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 :: 126.712 Ave N Shift Values>> N :: 121.6(4.72) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> CA :: 46.789 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.104 HA2 :: 3.960 HA3 :: 3.672 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.655 Ave N Shift Values>> N :: 109.91(4.29) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 C 0.2 D 0.09 Y 0.06 F 0.04 E 0.02 M 0.01 L 0.01 C Shift Assignments>> CA :: 52.583 CB :: 37.847 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 :: 8.768 HA :: 4.646 HB2 :: 2.849 HB3 :: 2.849 HD21 :: 7.502 HD22 :: 6.820 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 :: 123.746 ND2 :: 112.148 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 HN Overlap>> 1.K143 1.K143 C Shift Assignments>> C :: 174.611 CA :: 61.216 CB :: 33.025 CG1 :: 20.230 CG2 :: 20.273 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 :: 8.085 HA :: 4.228 HB :: 2.182 HG11 :: 0.915 HG12 :: 0.915 HG13 :: 0.915 HG21 :: 0.823 HG22 :: 0.823 HG23 :: 0.823 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 :: 121.017 Ave N Shift Values>> N :: 121.02(4.96) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 176.030 CA :: 60.274 CB :: 33.220 CG1 :: 20.355 CG2 :: 20.713 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 :: 8.206 HA :: 4.988 HB :: 1.790 HG11 :: 0.780 HG12 :: 0.780 HG13 :: 0.780 HG21 :: 0.711 HG22 :: 0.711 HG23 :: 0.711 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 :: 124.993 Ave N Shift Values>> N :: 121.02(4.96) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.42 R 0.02 A 0.02 C Shift Assignments>> C :: 175.423 CA :: 52.917 CB :: 35.298 CG :: 24.050 CD :: 28.007 CE :: 41.394 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 :: 8.896 HA :: 4.683 HB2 :: 1.475 HB3 :: 1.712 HG2 :: 1.307 HG3 :: 1.244 HD2 :: 1.575 HD3 :: 1.678 HE2 :: 2.799 HE3 :: 2.799 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 :: 127.274 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.06 C Shift Assignments>> C :: 174.596 CA :: 61.967 CB :: 68.313 CG2 :: 20.869 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 :: 8.593 HA :: 4.958 HB :: 3.869 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 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 :: 120.172 Ave N Shift Values>> N :: 115.7(5.05) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.29 A 0.19 I 0.01 C Shift Assignments>> C :: 172.436 CA :: 54.021 CB :: 36.991 CG :: 31.593 CE :: 15.806 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 :: 9.138 HA :: 4.383 HB2 :: 1.475 HB3 :: 1.475 HG2 :: 2.129 HG3 :: 2.075 HE1 :: 1.684 HE2 :: 1.684 HE3 :: 1.684 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 :: 126.639 Ave N Shift Values>> N :: 120.1(3.88) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.26 M 0.2 K 0.16 E 0.08 R 0.01 C Shift Assignments>> C :: 175.351 CA :: 53.583 CB :: 30.262 CG :: 33.878 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 :: 7.660 HA :: 5.266 HB2 :: 1.578 HB3 :: 1.437 HG2 :: 2.023 HG3 :: 2.023 HE21 :: 7.209 HE22 :: 6.674 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 :: 118.595 NE2 :: 111.533 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.31 G 0.13 C Shift Assignments>> C :: 175.972 CA :: 55.173 CB :: 43.234 CD1 :: 132.301 CD2 :: 132.301 CE1 :: 130.429 CE2 :: 130.429 CZ :: 128.601 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 :: 8.836 HA :: 4.848 HB2 :: 2.279 HB3 :: 2.930 HD1 :: 7.061 HD2 :: 7.061 HE1 :: 7.122 HE2 :: 7.122 HZ :: 6.962 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 :: 118.542 Ave N Shift Values>> N :: 120.69(4.18) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.24 K 0.16 Q 0.1 I 0.03 R 0.01 C Shift Assignments>> CA :: 54.825 CB :: 27.875 CG :: 35.910 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 :: 9.211 HA :: 4.655 HB2 :: 1.893 HB3 :: 2.120 HG2 :: 2.353 HG3 :: 2.361 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 :: 123.538 Ave N Shift Values>> N :: 120.68(3.68) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.1 C Shift Assignments>> C :: 174.393 CA :: 65.077 CB :: 30.905 CG :: 27.190 CD :: 50.311 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 :: 4.100 HB2 :: 2.096 HB3 :: 2.341 HG2 :: 2.150 HG3 :: 1.939 HD2 :: 3.880 HD3 :: 3.815 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.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.605 CA :: 57.060 CB :: 62.476 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.381 HA :: 4.320 HB2 :: 3.796 HB3 :: 4.038 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 :: 105.765 Ave N Shift Values>> N :: 116.3(3.95) 1.T29 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 :: 173.762 CA :: 63.804 CB :: 69.396 CG2 :: 20.935 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 :: 7.716 HA :: 3.896 HB :: 3.938 HG21 :: 1.366 HG22 :: 1.366 HG23 :: 1.366 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 :: 120.352 Ave N Shift Values>> N :: 115.7(5.05) 1.M30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.3 A 0.22 C Shift Assignments>> C :: 178.910 CA :: 53.526 CB :: 31.238 CG :: 31.473 CE :: 16.271 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 :: 9.134 HA :: 4.704 HB2 :: 1.741 HB3 :: 1.741 HG2 :: 2.605 HG3 :: 2.729 HE1 :: 2.021 HE2 :: 2.021 HE3 :: 2.021 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 :: 126.038 Ave N Shift Values>> N :: 120.1(3.88) 1.V31 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 :: 179.141 CA :: 67.290 CB :: 30.164 CG1 :: 20.873 CG2 :: 24.131 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 :: 9.461 HA :: 3.286 HB :: 2.750 HG11 :: 0.755 HG12 :: 0.755 HG13 :: 0.755 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 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 :: 127.767 Ave N Shift Values>> N :: 121.02(4.96) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.48 C Shift Assignments>> C :: 178.291 CA :: 60.408 CB :: 37.468 CD1 :: 134.157 CD2 :: 134.157 CE1 :: 118.307 CE2 :: 118.307 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 :: 8.703 HA :: 4.378 HB2 :: 2.830 HB3 :: 3.191 HD1 :: 7.072 HD2 :: 7.072 HE1 :: 6.785 HE2 :: 6.785 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 :: 116.424 Ave N Shift Values>> N :: 120.79(4.69) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.18 D 0.17 Y 0.16 C 0.15 L 0.13 K 0.09 N 0.05 I 0.02 R 0.01 C Shift Assignments>> C :: 177.773 CA :: 56.196 CB :: 40.426 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 :: 6.721 HA :: 4.626 HB2 :: 2.605 HB3 :: 2.605 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 :: 122.134 Ave N Shift Values>> N :: 120.73(4.2) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 A 0.26 I 0.02 C 0.01 C Shift Assignments>> C :: 179.752 CA :: 54.556 CB :: 16.313 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.612 HA :: 4.238 HB1 :: 1.012 HB2 :: 1.012 HB3 :: 1.012 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.749 Ave N Shift Values>> N :: 123.23(3.7) 1.C35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.48 I 0.42 C 0.05 V 0.01 C Shift Assignments>> C :: 175.757 CA :: 64.128 CB :: 26.137 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.220 HA :: 3.928 HB2 :: 2.981 HB3 :: 3.208 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 :: 113.623 Ave N Shift Values>> N :: 119.95(4.79) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 C 0.29 R 0.25 L 0.12 G 0.01 C Shift Assignments>> C :: 178.613 CA :: 59.253 CB :: 28.512 CG :: 26.200 CD :: 42.388 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 :: 7.179 HA :: 3.815 HB2 :: 2.098 HB3 :: 1.865 HG2 :: 1.465 HG3 :: 1.665 HD2 :: 3.147 HD3 :: 3.229 HE :: 7.347 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 :: 119.975 NE :: 82.788 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.M37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.47 HN Overlap>> 1.T105 1.T105 C Shift Assignments>> C :: 178.870 CA :: 58.697 CB :: 32.817 CG :: 31.741 CE :: 16.738 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 :: 8.332 HA :: 3.873 HB2 :: 1.989 HB3 :: 2.345 HG2 :: 2.723 HG3 :: 2.523 HE1 :: 2.049 HE2 :: 2.049 HE3 :: 2.049 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 :: 118.460 Ave N Shift Values>> N :: 120.1(3.88) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> C :: 176.780 CA :: 65.440 CB :: 37.568 CG1 :: 29.817 CG2 :: 15.309 CD1 :: 15.493 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 :: 8.084 HA :: 3.226 HB :: 1.568 HG12 :: 0.971 HG13 :: 0.971 HG21 :: 0.739 HG22 :: 0.739 HG23 :: 0.739 HD11 :: 0.111 HD12 :: 0.111 HD13 :: 0.111 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 :: 120.572 Ave N Shift Values>> N :: 121.6(4.72) 1.R39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.14 G 0.03 L 0.01 HN Overlap>> 1.T120 1.T120 C Shift Assignments>> C :: 177.848 CA :: 58.677 CB :: 29.655 CG :: 28.060 CD :: 42.822 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 :: 7.463 HA :: 3.557 HB2 :: 1.751 HB3 :: 1.712 HG2 :: 1.174 HG3 :: 1.140 HD2 :: 3.036 HD3 :: 3.036 HE :: 7.667 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 :: 117.000 NE :: 84.136 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.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 K 0.13 Q 0.08 I 0.07 M 0.04 HN Overlap>> 1.D100 1.D100 C Shift Assignments>> C :: 178.301 CA :: 57.307 CB :: 29.402 CG :: 35.929 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 :: 7.631 HA :: 3.954 HB2 :: 1.949 HB3 :: 2.028 HG2 :: 2.167 HG3 :: 2.435 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 :: 115.126 Ave N Shift Values>> N :: 120.68(3.68) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.34 K 0.28 G 0.01 C Shift Assignments>> C :: 176.159 CA :: 55.599 CB :: 31.411 CG :: 26.404 CD :: 42.266 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 :: 7.521 HA :: 4.323 HB2 :: 1.879 HB3 :: 1.677 HG2 :: 1.652 HG3 :: 1.652 HD2 :: 3.010 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 :: 116.289 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.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.43 A 0.03 HN Overlap>> 1.A45 1.A45 C Shift Assignments>> CA :: 57.826 CB :: 37.306 CG1 :: 25.782 CG2 :: 17.465 CD1 :: 13.023 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 :: 7.972 HA :: 4.501 HB :: 1.863 HG12 :: 0.896 HG13 :: 1.472 HG21 :: 0.835 HG22 :: 0.835 HG23 :: 0.835 HD11 :: 0.664 HD12 :: 0.664 HD13 :: 0.664 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 :: 120.019 Ave N Shift Values>> N :: 121.6(4.72) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.89 C 0.1 C Shift Assignments>> C :: 179.135 CA :: 64.398 CB :: 31.016 CG :: 26.742 CD :: 50.129 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 :: 4.152 HB2 :: 1.809 HB3 :: 2.255 HG2 :: 2.023 HG3 :: 1.907 HD2 :: 3.745 HD3 :: 3.745 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.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.32 E 0.22 K 0.04 C Shift Assignments>> C :: 177.249 CA :: 59.095 CB :: 27.819 CG :: 36.921 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 :: 9.458 HA :: 3.923 HB2 :: 1.799 HB3 :: 1.925 HG2 :: 2.228 HG3 :: 2.424 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 :: 118.751 Ave N Shift Values>> N :: 120.68(3.68) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.17 C 0.02 HN Overlap>> 1.V8 1.I42 1.V8 1.I42 C Shift Assignments>> C :: 177.055 CA :: 52.155 CB :: 19.109 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.996 HA :: 4.023 HB1 :: 1.109 HB2 :: 1.109 HB3 :: 1.109 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.920 Ave N Shift Values>> N :: 123.23(3.7) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.32 A 0.13 C Shift Assignments>> C :: 177.035 CA :: 53.832 CB :: 40.000 CG :: 26.339 CD1 :: 24.476 CD2 :: 22.405 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 :: 7.370 HA :: 4.217 HB2 :: 1.706 HB3 :: 1.541 HG :: 1.605 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.734 HD22 :: 0.734 HD23 :: 0.734 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 :: 117.259 Ave N Shift Values>> N :: 121.98(4.07) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.18 C 0.01 C Shift Assignments>> C :: 177.080 CA :: 52.155 CB :: 18.679 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.363 HA :: 4.227 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.573 Ave N Shift Values>> N :: 123.23(3.7) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 L 0.27 G 0.17 C 0.09 D 0.03 F 0.03 K 0.02 Y 0.02 C Shift Assignments>> CA :: 43.799 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.589 HA2 :: 4.253 HA3 :: 4.088 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.380 Ave N Shift Values>> N :: 109.91(4.29) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 P 0.47 C Shift Assignments>> CA :: 61.019 CB :: 30.533 CG :: 26.860 CD :: 49.229 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 :: 4.705 HB2 :: 1.978 HB3 :: 2.328 HG2 :: 1.978 HG3 :: 1.952 HD2 :: 3.678 HD3 :: 3.678 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.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 C 0.09 C Shift Assignments>> C :: 178.817 CA :: 64.836 CB :: 31.222 CG :: 26.786 CD :: 49.817 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 :: 4.224 HB2 :: 2.161 HB3 :: 1.997 HG2 :: 2.083 HG3 :: 1.904 HD2 :: 3.795 HD3 :: 3.734 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.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 C 0.27 E 0.11 Y 0.09 M 0.06 F 0.04 D 0.03 K 0.01 C Shift Assignments>> C :: 175.757 CA :: 53.851 CB :: 36.942 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 :: 8.557 HA :: 4.625 HB2 :: 2.758 HB3 :: 2.758 HD21 :: 7.563 HD22 :: 6.888 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 :: 112.361 ND2 :: 113.562 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.16 L 0.14 C 0.12 F 0.09 Y 0.08 K 0.06 C Shift Assignments>> C :: 175.461 CA :: 54.130 CB :: 40.492 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 :: 7.853 HA :: 4.475 HB2 :: 2.319 HB3 :: 2.631 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 :: 118.230 Ave N Shift Values>> N :: 120.73(4.2) 1.F53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 Y 0.31 C 0.25 G 0.03 C Shift Assignments>> C :: 175.065 CA :: 56.321 CB :: 42.611 CD1 :: 132.269 CD2 :: 132.269 CE1 :: 130.631 CE2 :: 130.631 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 :: 7.492 HA :: 4.861 HB2 :: 2.561 HB3 :: 1.853 HD1 :: 6.707 HD2 :: 6.707 HE1 :: 7.086 HE2 :: 7.086 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 :: 119.212 Ave N Shift Values>> N :: 120.69(4.18) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.27 L 0.25 G 0.25 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 170.402 CA :: 44.044 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.607 HA2 :: 3.946 HA3 :: 4.450 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.793 Ave N Shift Values>> N :: 109.91(4.29) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.21 C 0.15 A 0.1 R 0.01 C Shift Assignments>> C :: 174.651 CA :: 52.737 CB :: 43.802 CG :: 26.585 CD1 :: 24.391 CD2 :: 22.560 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 :: 9.085 HA :: 5.420 HB2 :: 1.518 HB3 :: 1.277 HG :: 1.768 HD11 :: 0.733 HD12 :: 0.733 HD13 :: 0.733 HD21 :: 0.868 HD22 :: 0.868 HD23 :: 0.868 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 :: 119.498 Ave N Shift Values>> N :: 121.98(4.07) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.32 G 0.05 C Shift Assignments>> C :: 173.741 CA :: 54.826 CB :: 42.621 CD1 :: 131.472 CD2 :: 131.472 CE1 :: 129.563 CE2 :: 129.563 CZ :: 128.233 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 :: 9.135 HA :: 4.710 HB2 :: 2.438 HB3 :: 2.143 HD1 :: 5.498 HD2 :: 5.498 HE1 :: 6.505 HE2 :: 6.505 HZ :: 6.735 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 :: 125.233 Ave N Shift Values>> N :: 120.69(4.18) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 C 0.17 G 0.06 A 0.04 C Shift Assignments>> C :: 174.609 CA :: 52.430 CB :: 42.653 CG :: 26.119 CD1 :: 23.550 CD2 :: 24.404 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 :: 8.438 HA :: 4.417 HB2 :: 0.942 HB3 :: 1.495 HG :: 1.303 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 HD21 :: 0.726 HD22 :: 0.726 HD23 :: 0.726 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 :: 130.102 Ave N Shift Values>> N :: 121.98(4.07) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.503 CA :: 57.311 CB :: 63.480 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.139 HA :: 3.957 HB2 :: 3.707 HB3 :: 3.707 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 :: 120.371 Ave N Shift Values>> N :: 116.3(3.95) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.07 C 0.06 R 0.01 C Shift Assignments>> C :: 174.600 CA :: 52.303 CB :: 45.356 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 :: 8.033 HA :: 4.595 HB2 :: 2.113 HB3 :: 2.612 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 :: 122.368 Ave N Shift Values>> N :: 120.73(4.2) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.18 D 0.16 C 0.16 L 0.12 K 0.06 N 0.05 I 0.03 C Shift Assignments>> C :: 176.894 CA :: 56.378 CB :: 40.186 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 :: 8.264 HA :: 4.164 HB2 :: 2.450 HB3 :: 2.540 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 :: 123.501 Ave N Shift Values>> N :: 120.73(4.2) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.29 C 0.21 L 0.07 F 0.02 Y 0.02 G 0.01 K 0.01 C Shift Assignments>> CA :: 49.501 CB :: 40.799 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 :: 9.268 HA :: 4.930 HB2 :: 2.872 HB3 :: 2.449 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 :: 120.441 Ave N Shift Values>> N :: 120.73(4.2) 1.P62 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 :: 178.848 CA :: 63.809 CB :: 31.440 CG :: 26.633 CD :: 50.568 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 :: 4.356 HB2 :: 2.017 HB3 :: 2.361 HG2 :: 2.029 HG3 :: 2.029 HD2 :: 4.045 HD3 :: 3.979 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.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.34 R 0.09 M 0.03 C Shift Assignments>> CA :: 57.191 CB :: 31.293 CG :: 23.865 CD :: 28.127 CE :: 40.362 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 :: 8.128 HA :: 4.144 HB2 :: 1.768 HB3 :: 1.792 HG2 :: 1.400 HG3 :: 1.459 HD2 :: 1.655 HD3 :: 1.655 HE2 :: 2.953 HE3 :: 2.953 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 :: 115.328 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.35 R 0.16 M 0.02 C Shift Assignments>> C :: 176.661 CA :: 54.862 CB :: 32.283 CG :: 24.978 CD :: 28.276 CE :: 41.294 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 :: 8.016 HA :: 4.338 HB2 :: 1.712 HB3 :: 1.904 HG2 :: 1.285 HG3 :: 1.184 HD2 :: 1.621 HD3 :: 1.621 HE2 :: 2.922 HE3 :: 2.922 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 :: 117.818 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 172.226 CA :: 45.509 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.332 HA2 :: 3.547 HA3 :: 3.752 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.357 Ave N Shift Values>> N :: 109.91(4.29) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.4 G 0.04 A 0.02 C Shift Assignments>> C :: 173.887 CA :: 58.521 CB :: 42.435 CG1 :: 25.308 CG2 :: 17.283 CD1 :: 13.400 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 :: 7.230 HA :: 4.482 HB :: 1.565 HG12 :: 0.924 HG13 :: 1.327 HG21 :: 0.787 HG22 :: 0.787 HG23 :: 0.787 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 :: 117.435 Ave N Shift Values>> N :: 121.6(4.72) 1.W67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.39 H 0.04 C Shift Assignments>> C :: 176.799 CA :: 55.349 CB :: 28.693 CD1 :: 126.659 CE3 :: 120.350 CZ2 :: 113.684 CZ3 :: 121.251 CH2 :: 125.176 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 :: 8.464 HA :: 4.896 HB2 :: 3.020 HB3 :: 3.152 HD1 :: 7.325 HE1 :: 10.989 HE3 :: 7.521 HZ2 :: 7.156 HZ3 :: 6.611 HH2 :: 6.488 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 :: 123.678 NE1 :: 131.495 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.44 C 0.38 A 0.16 C Shift Assignments>> C :: 177.413 CA :: 55.065 CB :: 40.163 CG :: 26.803 CD1 :: 24.520 CD2 :: 21.541 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 :: 8.791 HA :: 3.886 HB2 :: 1.183 HB3 :: 1.434 HG :: 0.670 HD11 :: 0.402 HD12 :: 0.402 HD13 :: 0.402 HD21 :: -0.162(S) HD22 :: -0.162(S) HD23 :: -0.162(S) 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 :: 124.864 Ave N Shift Values>> N :: 121.98(4.07) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.08 Q 0.04 I 0.03 HN Overlap>> 1.A70 1.A70 C Shift Assignments>> C :: 176.472 CA :: 55.913 CB :: 30.214 CG :: 36.272 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 :: 8.482 HA :: 4.216 HB2 :: 1.920 HB3 :: 2.053 HG2 :: 2.401 HG3 :: 2.284 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 :: 124.315 Ave N Shift Values>> N :: 120.68(3.68) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.43 C 0.03 I 0.01 HN Overlap>> 1.E69 1.E69 C Shift Assignments>> C :: 178.006 CA :: 54.560 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 :: 8.421 HA :: 3.918 HB1 :: 1.520 HB2 :: 1.520 HB3 :: 1.520 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.276 Ave N Shift Values>> N :: 123.23(3.7) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.19 R 0.15 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.571 CA :: 44.556 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.160 HA2 :: 3.583 HA3 :: 4.351 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 99.920 Ave N Shift Values>> N :: 109.91(4.29) 1.K72 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 K 0.41 R 0.05 A 0.01 G 0.01 C Shift Assignments>> CA :: 52.569 CB :: 34.623 CG :: 24.318 CD :: 27.223 CE :: 41.580 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 :: 7.473 HA :: 4.396 HB2 :: 2.048 HB3 :: 1.536 HG2 :: 0.983 HG3 :: 0.983 HD2 :: 0.493(S) HD3 :: 0.867 HE2 :: 2.248(S) HE3 :: 2.248(S) 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 :: 119.985 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.07 C 0.03 C Shift Assignments>> C :: 179.377 CA :: 50.066 CB :: 19.990 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.131 HA :: 4.866 HB1 :: 1.391 HB2 :: 1.391 HB3 :: 1.391 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.925 Ave N Shift Values>> N :: 123.23(3.7) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 L 0.28 A 0.03 C Shift Assignments>> C :: 179.380 CA :: 57.967 CB :: 40.375 CG :: 25.516 CD1 :: 25.405 CD2 :: 21.037 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 :: 8.349 HA :: 3.921 HB2 :: 1.930 HB3 :: 1.085 HG :: 1.651 HD11 :: 0.325 HD12 :: 0.325 HD13 :: 0.325 HD21 :: 0.295 HD22 :: 0.295 HD23 :: 0.295 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 :: 118.605 Ave N Shift Values>> N :: 121.98(4.07) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 C 0.18 D 0.18 Y 0.15 F 0.13 L 0.05 E 0.02 I 0.01 C Shift Assignments>> C :: 178.948 CA :: 54.879 CB :: 38.982 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 :: 8.084 HA :: 4.373 HB2 :: 2.764 HB3 :: 2.439 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 :: 113.515 Ave N Shift Values>> N :: 120.73(4.2) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.41 C Shift Assignments>> C :: 176.679 CA :: 59.969 CB :: 38.030 CD1 :: 133.504 CD2 :: 133.504 CE1 :: 117.569 CE2 :: 117.569 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 :: 7.900 HA :: 3.929 HB2 :: 2.827 HB3 :: 3.108 HD1 :: 6.061 HD2 :: 6.061 HE1 :: 6.542 HE2 :: 6.542 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 :: 124.072 Ave N Shift Values>> N :: 120.79(4.69) 1.Y77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Y 0.45 C Shift Assignments>> C :: 174.463 CA :: 58.248 CB :: 37.425 CD1 :: 134.030 CD2 :: 134.030 CE1 :: 118.806 CE2 :: 118.806 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 :: 7.561 HA :: 3.999 HB2 :: 2.689 HB3 :: 3.159 HD1 :: 7.231 HD2 :: 7.231 HE1 :: 6.866 HE2 :: 6.866 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 :: 113.971 Ave N Shift Values>> N :: 120.79(4.69) 1.M78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 M 0.2 A 0.17 C Shift Assignments>> C :: 175.161 CA :: 54.984 CB :: 27.914 CG :: 31.349 CE :: 16.019 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 :: 7.827 HA :: 4.091 HB2 :: 2.064 HB3 :: 2.010 HG2 :: 2.279 HG3 :: 2.339 HE1 :: 1.930 HE2 :: 1.930 HE3 :: 1.930 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 :: 114.215 Ave N Shift Values>> N :: 120.1(3.88) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.26 R 0.13 G 0.06 A 0.06 C Shift Assignments>> C :: 176.099 CA :: 53.969 CB :: 42.849 CG :: 26.819 CD1 :: 23.019 CD2 :: 26.574 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 :: 6.781 HA :: 4.216 HB2 :: 1.481 HB3 :: 1.324 HG :: 1.514 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 HD21 :: 0.822 HD22 :: 0.822 HD23 :: 0.822 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 :: 117.878 Ave N Shift Values>> N :: 121.98(4.07) 1.R80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.31 R 0.26 G 0.05 C Shift Assignments>> C :: 175.113 CA :: 52.792 CB :: 32.548 CG :: 25.826 CD :: 42.687 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 :: 8.928 HA :: 4.450 HB2 :: 1.731 HB3 :: 1.629 HG2 :: 1.559 HG3 :: 1.611 HD2 :: 3.183 HD3 :: 3.114 HE :: 7.403 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 :: 120.795 NE :: 85.829 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.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 C 0.23 Y 0.1 D 0.07 E 0.07 F 0.06 M 0.03 L 0.01 C Shift Assignments>> C :: 177.859 CA :: 53.773 CB :: 37.541 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 :: 8.363 HA :: 4.722 HB2 :: 2.607 HB3 :: 2.695 HD21 :: 7.535 HD22 :: 7.090 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 :: 117.353 ND2 :: 112.852 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.3 L 0.24 R 0.24 C 0.1 F 0.02 D 0.02 Y 0.01 K 0.01 C Shift Assignments>> CA :: 44.162 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.300 HA2 :: 3.517 HA3 :: 4.261 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.169 Ave N Shift Values>> N :: 109.91(4.29) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.16 C 0.12 F 0.12 Y 0.1 K 0.09 N 0.09 R 0.01 HN Overlap>> 1.M7 1.D207 1.M7 1.D207 C Shift Assignments>> C :: 174.448 CA :: 55.036 CB :: 40.677 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 :: 8.080 HA :: 4.584 HB2 :: 2.804 HB3 :: 2.472 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 :: 122.064 Ave N Shift Values>> N :: 120.73(4.2) 1.T84 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 :: 174.562 CA :: 60.570 CB :: 69.925 CG2 :: 20.251 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 :: 8.146 HA :: 5.336 HB :: 3.862 HG21 :: 1.007 HG22 :: 1.007 HG23 :: 1.007 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 :: 114.092 Ave N Shift Values>> N :: 115.7(5.05) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 C 0.31 M 0.23 I 0.01 C Shift Assignments>> C :: 173.973 CA :: 53.187 CB :: 36.241 CG :: 30.863 CE :: 17.088 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 :: 9.055 HA :: 4.881 HB2 :: 1.717 HB3 :: 1.816 HG2 :: 2.147 HG3 :: 2.147 HE1 :: 1.472 HE2 :: 1.472 HE3 :: 1.472 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 :: 123.252 Ave N Shift Values>> N :: 120.1(3.88) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 M 0.32 E 0.18 Q 0.09 K 0.03 C Shift Assignments>> C :: 175.622 CA :: 53.758 CB :: 31.573 CG :: 35.263 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 :: 9.168 HA :: 5.171 HB2 :: 1.985 HB3 :: 1.985 HG2 :: 2.022 HG3 :: 2.402 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 :: 121.794 Ave N Shift Values>> N :: 120.68(3.68) 1.Y87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.45 C Shift Assignments>> CA :: 56.582 CB :: 37.764 CD1 :: 132.719 CD2 :: 132.719 CE1 :: 117.823 CE2 :: 117.823 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 :: 8.550 HA :: 5.416 HB2 :: 2.437 HB3 :: 3.110 HD1 :: 6.816 HD2 :: 6.816 HE1 :: 6.311 HE2 :: 6.311 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 :: 127.503 Ave N Shift Values>> N :: 120.79(4.69) 1.R88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 K 0.38 R 0.15 G 0.03 C Shift Assignments>> CA :: 54.182 CB :: 33.906 CG :: 25.848 CD :: 42.617 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 :: 8.680 HA :: 4.735 HB2 :: 1.459 HB3 :: 1.696 HG2 :: 1.462 HG3 :: 1.544 HD2 :: 2.433 HD3 :: 2.137(S) HE :: 6.674 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 :: 126.310 NE :: 83.687 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.K89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.36 R 0.18 M 0.03 C Shift Assignments>> CA :: 56.125 CB :: 31.816 CG :: 24.722 CD :: 28.673 CE :: 41.345 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 :: 8.413 HA :: 3.520 HB2 :: 1.335 HB3 :: 1.530 HG2 :: 0.911 HG3 :: 0.911 HD2 :: 1.451 HD3 :: 1.451 HE2 :: 2.779 HE3 :: 2.806 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 :: 124.430 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.42 C 0.41 R 0.13 M 0.02 C Shift Assignments>> C :: 177.050 CA :: 57.075 CB :: 32.481 CG :: 24.551 CD :: 28.166 CE :: 41.042 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 :: 8.102 HA :: 3.700 HB2 :: 1.131 HB3 :: 0.953 HG2 :: 0.537 HG3 :: 0.026(S) HD2 :: 1.046 HD3 :: 1.046 HE2 :: 2.377 HE3 :: 2.332 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 :: 124.361 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.26 Q 0.26 C 0.24 M 0.09 R 0.08 E 0.04 C Shift Assignments>> C :: 175.570 CA :: 54.531 CB :: 29.092 CG :: 33.177 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 :: 7.127 HA :: 4.683 HB2 :: 1.551 HB3 :: 1.611 HG2 :: 1.887 HG3 :: 2.074 HE21 :: 6.467 HE22 :: 7.284 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 :: 116.460 NE2 :: 110.728 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 C 0.35 R 0.13 K 0.06 A 0.01 C Shift Assignments>> CA :: 51.549 CB :: 31.062 CG :: 24.445 CD :: 43.682 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 :: 9.315 HA :: 4.808 HB2 :: 1.791 HB3 :: 1.791 HG2 :: 1.444 HG3 :: 1.507 HD2 :: 2.982 HD3 :: 2.903 HE :: 7.403 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 :: 121.064 NE :: 85.133 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.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.528 CA :: 62.019 CB :: 31.366 CG :: 26.691 CD :: 49.832 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 :: 4.634 HB2 :: 1.676 HB3 :: 1.918 HG2 :: 2.087 HG3 :: 1.873 HD2 :: 3.643 HD3 :: 3.527 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.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 L 0.28 C 0.15 A 0.05 R 0.02 C Shift Assignments>> C :: 174.498 CA :: 53.116 CB :: 44.857 CG :: 26.512 CD1 :: 26.622 CD2 :: 22.954 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 :: 9.024 HA :: 4.630 HB2 :: 1.848 HB3 :: 1.089 HG :: 1.300 HD11 :: 0.689 HD12 :: 0.689 HD13 :: 0.689 HD21 :: 0.787 HD22 :: 0.787 HD23 :: 0.787 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 :: 128.567 Ave N Shift Values>> N :: 121.98(4.07) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.35 R 0.17 M 0.03 C Shift Assignments>> C :: 174.775 CA :: 55.471 CB :: 32.299 CG :: 24.346 CD :: 28.560 CE :: 41.430 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 :: 8.481 HA :: 4.657 HB2 :: 1.843 HB3 :: 1.815 HG2 :: 1.273 HG3 :: 1.330 HD2 :: 1.459 HD3 :: 1.505 HE2 :: 2.803 HE3 :: 2.803 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 :: 127.742 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 I 0.31 A 0.2 C Shift Assignments>> C :: 174.681 CA :: 56.258 CB :: 40.045 CG1 :: 26.122 CG2 :: 18.005 CD1 :: 12.950 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 :: 8.810 HA :: 5.055 HB :: 1.654 HG12 :: 1.114 HG13 :: 1.208 HG21 :: 0.638 HG22 :: 0.638 HG23 :: 0.638 HD11 :: 0.637 HD12 :: 0.637 HD13 :: 0.637 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 :: 122.067 Ave N Shift Values>> N :: 121.6(4.72) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.31 K 0.25 L 0.03 G 0.01 C Shift Assignments>> C :: 175.857 CA :: 54.273 CB :: 30.269 CG :: 26.293 CD :: 42.138 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 :: 9.211 HA :: 4.821 HB2 :: 1.381 HB3 :: 1.708 HG2 :: 1.631 HG3 :: 1.381 HD2 :: 2.983 HD3 :: 3.184 HE :: 7.931 HH12 :: 6.801 HH22 :: 6.801 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 :: 127.044 NE :: 82.663 NH1 :: 71.967 NH2 :: 71.967 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.M98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 A 0.33 C 0.24 C Shift Assignments>> C :: 178.552 CA :: 53.206 CB :: 32.677 CG :: 32.412 CE :: 17.137 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 :: 8.934 HA :: 4.570 HB2 :: 2.458 HB3 :: 2.231 HG2 :: 2.450 HG3 :: 2.587 HE1 :: 1.908 HE2 :: 1.908 HE3 :: 1.908 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 :: 125.249 Ave N Shift Values>> N :: 120.1(3.88) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.44 HN Overlap>> 1.I121 1.I121 C Shift Assignments>> C :: 177.993 CA :: 57.227 CB :: 40.539 CG :: 26.787 CD1 :: 22.949 CD2 :: 24.387 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 :: 8.495 HA :: 4.071 HB2 :: 1.739 HB3 :: 1.615 HG :: 1.750 HD11 :: 0.951 HD12 :: 0.951 HD13 :: 0.951 HD21 :: 0.961 HD22 :: 0.961 HD23 :: 0.961 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 :: 121.241 Ave N Shift Values>> N :: 121.98(4.07) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.23 C 0.14 Y 0.06 F 0.05 L 0.04 HN Overlap>> 1.E40 1.E40 C Shift Assignments>> C :: 177.163 CA :: 52.621 CB :: 39.259 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 :: 7.679 HA :: 4.436 HB2 :: 2.543 HB3 :: 3.044 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 :: 115.053 Ave N Shift Values>> N :: 120.73(4.2) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.21 R 0.17 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.848 CA :: 44.451 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.987 HA2 :: 4.324 HA3 :: 3.486 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.994 Ave N Shift Values>> N :: 109.91(4.29) 1.T102 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 :: 173.032 CA :: 62.064 CB :: 69.489 CG2 :: 21.070 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 :: 8.053 HA :: 4.178 HB :: 4.073 HG21 :: 1.073 HG22 :: 1.073 HG23 :: 1.073 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 :: 115.992 Ave N Shift Values>> N :: 115.7(5.05) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 176.375 CA :: 60.661 CB :: 32.551 CG1 :: 20.978 CG2 :: 20.677 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 :: 8.397 HA :: 4.871 HB :: 1.809 HG11 :: 0.821 HG12 :: 0.821 HG13 :: 0.821 HG21 :: 0.691 HG22 :: 0.691 HG23 :: 0.691 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 :: 121.801 Ave N Shift Values>> N :: 121.02(4.96) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.04 A 0.01 C Shift Assignments>> C :: 174.781 CA :: 53.326 CB :: 35.292 CG :: 24.410 CD :: 28.148 CE :: 41.454 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 :: 9.137 HA :: 4.612 HB2 :: 1.642 HB3 :: 1.510 HG2 :: 1.280 HG3 :: 1.331 HD2 :: 1.578 HD3 :: 1.578 HE2 :: 2.878 HE3 :: 2.878 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 :: 128.894 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 HN Overlap>> 1.M37 1.M37 C Shift Assignments>> C :: 174.394 CA :: 61.471 CB :: 68.288 CG2 :: 21.139 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 :: 8.420 HA :: 4.936 HB :: 3.831 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 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 :: 118.508 Ave N Shift Values>> N :: 115.7(5.05) 1.I106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.52 C 0.45 A 0.02 C Shift Assignments>> C :: 174.677 CA :: 58.063 CB :: 40.298 CG1 :: 26.743 CG2 :: 16.827 CD1 :: 12.795 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 :: 9.170 HA :: 4.271 HB :: 1.588 HG12 :: 1.249 HG13 :: 1.065 HG21 :: 0.686 HG22 :: 0.686 HG23 :: 0.686 HD11 :: 0.634 HD12 :: 0.634 HD13 :: 0.634 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 :: 128.652 Ave N Shift Values>> N :: 121.6(4.72) 1.M107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.4 C 0.38 A 0.2 HN Overlap>> 1.R137 1.R137 C Shift Assignments>> C :: 176.371 CA :: 53.022 CB :: 30.029 CG :: 31.382 CE :: 15.656 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 :: 8.323 HA :: 4.866 HB2 :: 1.888 HB3 :: 1.559 HG2 :: 2.442 HG3 :: 2.514 HE1 :: 1.748 HE2 :: 1.748 HE3 :: 1.748 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 :: 124.052 Ave N Shift Values>> N :: 120.1(3.88) 1.V108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.05 A 0.04 I 0.01 C Shift Assignments>> CA :: 57.984 CB :: 35.275 CG1 :: 20.645 CG2 :: 17.481 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 :: 8.818 HA :: 4.654 HB :: 1.965 HG11 :: 0.728 HG12 :: 0.728 HG13 :: 0.728 HG21 :: 0.729 HG22 :: 0.729 HG23 :: 0.729 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 :: 116.771 Ave N Shift Values>> N :: 121.02(4.96) 1.D109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.31 C 0.12 L 0.1 F 0.04 Y 0.04 K 0.02 C Shift Assignments>> C :: 175.171 CA :: 52.082 CB :: 40.431 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 :: 8.057 HA :: 4.172 HB2 :: 2.263 HB3 :: 2.624 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 :: 120.742 Ave N Shift Values>> N :: 120.73(4.2) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 R 0.27 C 0.11 K 0.08 D 0.08 F 0.05 G 0.04 Y 0.04 C Shift Assignments>> C :: 175.815 CA :: 55.764 CB :: 43.278 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 :: 8.374 HA :: 4.254 HB2 :: 2.619 HB3 :: 2.478 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 :: 124.722 Ave N Shift Values>> N :: 120.73(4.2) 1.S111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.751 CA :: 58.062 CB :: 63.482 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.605 HA :: 4.156 HB2 :: 3.707 HB3 :: 2.420(S) 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 :: 111.726 Ave N Shift Values>> N :: 116.3(3.95) 1.K112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.34 R 0.14 M 0.01 C Shift Assignments>> C :: 176.349 CA :: 53.868 CB :: 33.016 CG :: 24.603 CD :: 27.764 CE :: 41.566 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 :: 7.248 HA :: 4.505 HB2 :: 1.830 HB3 :: 1.953 HG2 :: 1.328 HG3 :: 1.138 HD2 :: 1.454 HD3 :: 1.547 HE2 :: 2.745 HE3 :: 2.843 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 :: 122.646 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 60.845 CB :: 70.591 CG2 :: 21.719 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 :: 8.524 HA :: 3.787 HB :: 4.437 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 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 :: 108.818 Ave N Shift Values>> N :: 115.7(5.05) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 HN Overlap>> 1.Y205 1.Y205 C Shift Assignments>> C :: 177.618 CA :: 66.771 CB :: 30.867 CG1 :: 20.993 CG2 :: 24.013 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 :: 7.903 HA :: 3.455 HB :: 2.297 HG11 :: 0.486 HG12 :: 0.486 HG13 :: 0.486 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 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 :: 121.189 Ave N Shift Values>> N :: 121.02(4.96) 1.T115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.478 CA :: 66.851 CB :: 68.687 CG2 :: 20.875 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 :: 8.767 HA :: 3.773 HB :: 4.014 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 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 :: 116.565 Ave N Shift Values>> N :: 115.7(5.05) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.18 C 0.15 D 0.14 L 0.13 K 0.1 N 0.03 I 0.03 R 0.01 C Shift Assignments>> CA :: 56.694 CB :: 40.486 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 :: 7.010 HA :: 4.373 HB2 :: 2.678 HB3 :: 2.595 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 :: 121.131 Ave N Shift Values>> N :: 120.73(4.2) 1.M117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.47 A 0.01 C Shift Assignments>> CA :: 58.722 CB :: 31.868 CG :: 31.953 CE :: 17.795 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 :: 8.406 HA :: 4.013 HB2 :: 1.739 HB3 :: 2.001 HG2 :: 2.574 HG3 :: 2.241 HE1 :: 1.950 HE2 :: 1.950 HE3 :: 1.950 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 :: 120.608 Ave N Shift Values>> N :: 120.1(3.88) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.36 R 0.04 HN Overlap>> 1.R187 1.R187 C Shift Assignments>> C :: 178.946 CA :: 57.396 CB :: 41.412 CG :: 27.311 CD1 :: 24.209 CD2 :: 24.737 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 :: 8.745 HA :: 3.852 HB2 :: 1.641 HB3 :: 1.779 HG :: 1.503 HD11 :: 0.750 HD12 :: 0.750 HD13 :: 0.750 HD21 :: 0.677 HD22 :: 0.677 HD23 :: 0.677 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 :: 120.276 Ave N Shift Values>> N :: 121.98(4.07) 1.M119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 M 0.39 HN Overlap>> 1.H130 1.H130 C Shift Assignments>> C :: 178.811 CA :: 59.165 CB :: 31.296 CG :: 30.830 CE :: 15.625 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 :: 7.642 HA :: 3.584 HB2 :: 1.907 HB3 :: 1.742 HG2 :: 1.746 HG3 :: 2.305 HE1 :: 1.749 HE2 :: 1.749 HE3 :: 1.749 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 :: 118.442 Ave N Shift Values>> N :: 120.1(3.88) 1.T120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.R39 1.R39 C Shift Assignments>> C :: 176.375 CA :: 65.841 CB :: 68.094 CG2 :: 21.169 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 :: 7.464 HA :: 3.838 HB :: 4.242 HG21 :: 1.160 HG22 :: 1.160 HG23 :: 1.160 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 :: 116.907 Ave N Shift Values>> N :: 115.7(5.05) 1.I121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> 1.L99 1.L99 C Shift Assignments>> C :: 177.379 CA :: 64.850 CB :: 38.501 CG1 :: 28.610 CG2 :: 16.513 CD1 :: 14.249 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 :: 8.529 HA :: 3.374 HB :: 1.771 HG12 :: 0.781 HG13 :: 0.781 HG21 :: 0.726 HG22 :: 0.726 HG23 :: 0.726 HD11 :: 0.642 HD12 :: 0.642 HD13 :: 0.642 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 :: 121.176 Ave N Shift Values>> N :: 121.6(4.72) 1.C122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 P 0.35 V 0.06 C 0.06 T 0.01 C Shift Assignments>> C :: 176.754 CA :: 64.675 CB :: 25.470 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.348 HA :: 3.751 HB2 :: 2.996 HB3 :: 2.802 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 :: 114.793 Ave N Shift Values>> N :: 119.95(4.79) 1.A123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.41 I 0.02 C 0.02 HN Overlap>> 1.Y205 1.Y205 C Shift Assignments>> C :: 180.751 CA :: 54.277 CB :: 17.173 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.776 HA :: 4.080 HB1 :: 1.429 HB2 :: 1.429 HB3 :: 1.429 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.182 Ave N Shift Values>> N :: 123.23(3.7) 1.R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.28 R 0.22 L 0.13 C Shift Assignments>> C :: 178.298 CA :: 56.820 CB :: 29.080 CG :: 26.067 CD :: 41.789 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 :: 7.673 HA :: 4.104 HB2 :: 1.953 HB3 :: 1.897 HG2 :: 1.635 HG3 :: 1.776 HD2 :: 3.156 HD3 :: 3.156 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 :: 116.484 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.I125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.991 CA :: 60.442 CB :: 37.427 CG1 :: 25.822 CG2 :: 16.560 CD1 :: 13.652 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 :: 7.459 HA :: 4.323 HB :: 1.961 HG12 :: 1.242 HG13 :: 1.282 HG21 :: 0.765 HG22 :: 0.765 HG23 :: 0.765 HD11 :: 0.590 HD12 :: 0.590 HD13 :: 0.590 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 :: 111.764 Ave N Shift Values>> N :: 121.6(4.72) 1.G126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.672 CA :: 45.417 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.549 HA2 :: 3.675 HA3 :: 4.048 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.201 Ave N Shift Values>> N :: 109.91(4.29) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 C Shift Assignments>> C :: 176.310 CA :: 59.814 CB :: 39.174 CG1 :: 26.882 CG2 :: 16.954 CD1 :: 12.540 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 :: 7.947 HA :: 4.117 HB :: 1.208 HG12 :: 0.822 HG13 :: 0.822 HG21 :: 0.489 HG22 :: 0.489 HG23 :: 0.489 HD11 :: 0.286 HD12 :: 0.286 HD13 :: 0.286 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 :: 122.112 Ave N Shift Values>> N :: 121.6(4.72) 1.T128 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>> CA :: 62.572 CB :: 68.349 CG2 :: 21.030 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 :: 8.499 HA :: 4.198 HB :: 4.189 HG21 :: 1.142 HG22 :: 1.142 HG23 :: 1.142 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 :: 119.712 Ave N Shift Values>> N :: 115.7(5.05) 1.N129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 M 0.16 N 0.11 P 0.11 Q 0.06 K 0.06 E 0.03 H 0.01 Y 0.01 W 0.01 HN Overlap>> 1.K13 1.K13 C Shift Assignments>> CA :: 51.556 CB :: 34.882 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 :: 8.685 HA :: 4.904 HB2 :: 2.793 HB3 :: 2.696 HD21 :: 7.702 HD22 :: 6.654 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 :: 121.134 ND2 :: 111.534 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 H 0.33 C 0.29 HN Overlap>> 1.M119 1.M119 C Shift Assignments>> CA :: 57.956 CB :: 29.821 CD2 :: 120.009 CE1 :: 138.899 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 :: 7.690 HA :: 4.383 HB2 :: 2.930 HB3 :: 3.054 HD2 :: 7.075 HE1 :: 7.839 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 :: 118.465 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.D131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 D 0.2 C 0.17 Y 0.14 F 0.13 L 0.06 E 0.01 I 0.01 HN Overlap>> 1.E188 1.E188 C Shift Assignments>> C :: 177.180 CA :: 54.803 CB :: 39.230 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 :: 8.010 HA :: 4.447 HB2 :: 2.401 HB3 :: 2.484 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 :: 117.596 Ave N Shift Values>> N :: 120.73(4.2) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.38 I 0.08 K 0.06 M 0.03 C Shift Assignments>> C :: 175.395 CA :: 56.003 CB :: 29.293 CG :: 37.183 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 :: 7.665 HA :: 4.188 HB2 :: 1.840 HB3 :: 2.107 HG2 :: 1.819 HG3 :: 2.112 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 :: 116.364 Ave N Shift Values>> N :: 120.68(3.68) 1.Y133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.36 C Shift Assignments>> C :: 174.118 CA :: 57.783 CB :: 41.530 CD1 :: 132.624 CD2 :: 132.624 CE1 :: 118.204 CE2 :: 118.204 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 :: 7.828 HA :: 4.725 HB2 :: 2.800 HB3 :: 2.800 HD1 :: 6.864 HD2 :: 6.864 HE1 :: 6.641 HE2 :: 6.641 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 :: 118.681 Ave N Shift Values>> N :: 120.79(4.69) 1.S134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.574 CA :: 55.913 CB :: 63.594 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.862 HA :: 4.614 HB2 :: 3.699 HB3 :: 3.728 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 :: 112.143 Ave N Shift Values>> N :: 116.3(3.95) 1.L135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.13 C 0.13 A 0.06 C Shift Assignments>> C :: 175.460 CA :: 52.194 CB :: 46.074 CD1 :: 23.245 CD2 :: 24.803 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 :: 8.898 HA :: 5.577 HB2 :: 1.158 HB3 :: 1.472 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 HD21 :: 0.636 HD22 :: 0.636 HD23 :: 0.636 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 :: 119.668 Ave N Shift Values>> N :: 121.98(4.07) 1.V136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 V 0.41 C Shift Assignments>> C :: 175.326 CA :: 59.008 CB :: 34.670 CG1 :: 20.913 CG2 :: 20.995 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 :: 8.794 HA :: 4.389 HB :: 1.659 HG11 :: 0.227 HG12 :: 0.227 HG13 :: 0.227 HG21 :: 0.483 HG22 :: 0.483 HG23 :: 0.483 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 :: 119.224 Ave N Shift Values>> N :: 121.02(4.96) 1.R137 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.41 C 0.36 K 0.12 G 0.09 HN Overlap>> 1.M107 1.M107 C Shift Assignments>> C :: 175.792 CA :: 54.983 CB :: 31.415 CD :: 43.457 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 :: 8.420 HA :: 4.435 HB2 :: 1.991 HB3 :: 1.535 HD2 :: 2.952 HD3 :: 3.064 HE :: 9.032(S) 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 :: 124.090 NE :: 84.163 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.E138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.1 M 0.06 I 0.06 Q 0.05 C Shift Assignments>> CA :: 56.814 CB :: 29.755 CG :: 36.266 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 :: 8.624 HA :: 4.108 HB2 :: 1.936 HB3 :: 1.835 HG2 :: 2.008 HG3 :: 2.116 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 :: 124.907 Ave N Shift Values>> N :: 120.68(3.68) 1.L139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.25 A 0.05 R 0.01 G 0.01 HN Overlap>> 1.M7 1.L177 1.D207 1.M7 1.L177 1.D207 C Shift Assignments>> C :: 177.083 CA :: 54.443 CB :: 41.929 CG :: 26.354 CD1 :: 22.912 CD2 :: 24.271 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 :: 8.193 HA :: 4.302 HB2 :: 1.571 HB3 :: 1.483 HG :: 1.502 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 HD21 :: 0.825 HD22 :: 0.825 HD23 :: 0.825 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 :: 122.038 Ave N Shift Values>> N :: 121.98(4.07) 1.M140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.34 A 0.16 HN Overlap>> 1.F204 1.F204 C Shift Assignments>> C :: 176.392 CA :: 54.683 CB :: 32.103 CG :: 31.572 CE :: 16.523 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 :: 8.178 HA :: 4.426 HB2 :: 2.040 HB3 :: 1.916 HG2 :: 2.414 HG3 :: 2.549 HE1 :: 1.998 HE2 :: 1.998 HE3 :: 1.998 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 :: 120.100 Ave N Shift Values>> N :: 120.1(3.88) 1.E141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.3 C 0.3 K 0.15 Q 0.12 M 0.06 I 0.03 C Shift Assignments>> C :: 176.501 CA :: 56.394 CB :: 29.461 CG :: 35.612 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 :: 8.274 HA :: 4.134 HB2 :: 1.898 HB3 :: 1.981 HG2 :: 2.149 HG3 :: 2.149 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 :: 121.228 Ave N Shift Values>> N :: 120.68(3.68) 1.E142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 E 0.3 K 0.16 Q 0.12 M 0.05 I 0.03 HN Overlap>> 1.N178 1.N178 C Shift Assignments>> C :: 176.463 CA :: 56.389 CB :: 29.325 CG :: 35.606 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 :: 8.368 HA :: 4.125 HB2 :: 1.982 HB3 :: 1.896 HG2 :: 2.140 HG3 :: 2.191 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 :: 120.295 Ave N Shift Values>> N :: 120.68(3.68) 1.K143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.34 R 0.2 M 0.03 HN Overlap>> 1.V19 1.V19 C Shift Assignments>> C :: 176.395 CA :: 55.335 CB :: 31.926 CG :: 24.200 CD :: 28.306 CE :: 41.492 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 :: 8.141 HA :: 4.261 HB2 :: 1.685 HB3 :: 1.811 HG2 :: 1.305 HG3 :: 1.360 HD2 :: 1.599 HD3 :: 1.599 HE2 :: 2.911 HE3 :: 2.911 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 :: 120.944 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.19 M 0.03 C Shift Assignments>> C :: 176.287 CA :: 56.032 CB :: 32.163 CG :: 23.832 CD :: 28.339 CE :: 41.431 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 :: 8.092 HA :: 4.195 HB2 :: 1.701 HB3 :: 1.775 HG2 :: 1.311 HG3 :: 1.347 HD2 :: 1.593 HD3 :: 1.593 HE2 :: 2.905 HE3 :: 2.905 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 :: 121.137 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D145 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T150 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L151 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R152 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K153 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D154 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K155 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T156 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L157 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L158 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R159 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D160 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E161 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K162 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K163 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M164 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E165 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K166 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L167 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K168 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q169 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K170 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L171 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H172 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.T173 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D174 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.D175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 N 0.2 C 0.13 L 0.12 F 0.1 Y 0.09 K 0.03 C Shift Assignments>> CA :: 54.161 CB :: 40.146 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 :: 8.327 HA :: 4.454 HB2 :: 2.602 HB3 :: 2.660 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 :: 119.499 Ave N Shift Values>> N :: 120.73(4.2) 1.E176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.28 Q 0.14 M 0.13 K 0.12 I 0.01 C Shift Assignments>> C :: 175.886 CA :: 55.479 CB :: 30.135 CG :: 35.418 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 :: 7.892 HA :: 4.213 HB2 :: 1.797 HB3 :: 1.938 HG2 :: 2.133 HG3 :: 2.133 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 :: 119.513 Ave N Shift Values>> N :: 120.68(3.68) 1.L177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.25 A 0.09 HN Overlap>> 1.M7 1.M7 1.D207 1.L139 1.D207 1.L139 C Shift Assignments>> C :: 176.774 CA :: 53.987 CB :: 41.307 CG :: 26.291 CD1 :: 24.608 CD2 :: 22.545 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 :: 8.196 HA :: 4.142 HB2 :: 1.343 HB3 :: 0.852 HG :: 1.431 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 HD21 :: 0.616 HD22 :: 0.616 HD23 :: 0.616 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 :: 122.116 Ave N Shift Values>> N :: 121.98(4.07) 1.N178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 C 0.2 D 0.08 Y 0.04 F 0.03 E 0.01 M 0.01 HN Overlap>> 1.E142 1.E142 C Shift Assignments>> C :: 174.431 CA :: 51.661 CB :: 37.793 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 :: 8.332 HA :: 4.766 HB2 :: 2.842 HB3 :: 2.622 HD21 :: 7.401 HD22 :: 6.991 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 :: 120.377 ND2 :: 112.373 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.W179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.4 H 0.05 C Shift Assignments>> C :: 177.342 CA :: 56.373 CB :: 29.174 CD1 :: 127.992 CE3 :: 121.638 CZ2 :: 114.467 CZ3 :: 121.700 CH2 :: 124.056 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 :: 7.684 HA :: 4.657 HB2 :: 2.994 HB3 :: 3.548 HD1 :: 7.262 HE1 :: 10.156 HE3 :: 7.566 HZ2 :: 7.340 HZ3 :: 6.722 HH2 :: 6.848 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 :: 122.671 NE1 :: 129.745 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.L180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.22 K 0.07 A 0.05 G 0.02 C Shift Assignments>> C :: 176.114 CA :: 53.948 CB :: 42.221 CD1 :: 26.007 CD2 :: 23.013 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 :: 8.450 HA :: 4.267 HB2 :: 1.254 HB3 :: 1.649 HD11 :: 0.665 HD12 :: 0.665 HD13 :: 0.665 HD21 :: 0.678 HD22 :: 0.678 HD23 :: 0.678 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 :: 122.738 Ave N Shift Values>> N :: 121.98(4.07) 1.D181 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.25 L 0.12 C 0.11 F 0.05 Y 0.05 K 0.04 C Shift Assignments>> C :: 178.655 CA :: 52.707 CB :: 40.545 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 :: 9.108 HA :: 4.656 HB2 :: 2.612 HB3 :: 2.612 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 :: 122.214 Ave N Shift Values>> N :: 120.73(4.2) 1.H182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.43 C 0.34 H 0.22 C Shift Assignments>> C :: 176.278 CA :: 58.045 CB :: 27.388 CD2 :: 124.096 CE1 :: 138.814 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 :: 9.309 HA :: 4.257 HB2 :: 3.020 HB3 :: 3.519 HD2 :: 6.917 HE1 :: 8.032 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 :: 126.533 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.21 R 0.18 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.422 CA :: 44.444 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.778 HA2 :: 3.718 HA3 :: 4.371 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.791 Ave N Shift Values>> N :: 109.91(4.29) 1.R184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 G 0.23 K 0.09 R 0.07 C Shift Assignments>> C :: 176.139 CA :: 53.241 CB :: 35.238 CG :: 27.040 CD :: 43.447 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 :: 7.019 HA :: 4.885 HB3 :: 2.009 HG2 :: 1.621 HG3 :: 1.510 HD2 :: 3.042 HD3 :: 3.087 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 :: 117.482 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.T185 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 :: 177.214 CA :: 60.632 CB :: 70.447 CG2 :: 20.713 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 :: 9.374 HA :: 4.582 HB :: 4.712 HG21 :: 1.179 HG22 :: 1.179 HG23 :: 1.179 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 :: 112.324 Ave N Shift Values>> N :: 115.7(5.05) 1.L186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 L 0.45 C Shift Assignments>> CA :: 57.411 CB :: 40.241 CG :: 25.557 CD1 :: 26.319 CD2 :: 23.589 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 :: 8.968 HA :: 3.840 HB2 :: 1.916 HB3 :: 1.158 HG :: 1.677 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 HD21 :: 0.592 HD22 :: 0.592 HD23 :: 0.592 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 :: 121.884 Ave N Shift Values>> N :: 121.98(4.07) 1.R187 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 C 0.33 K 0.26 L 0.03 G 0.01 HN Overlap>> 1.L118 1.L118 C Shift Assignments>> CA :: 58.516 CB :: 29.620 CG :: 26.606 CD :: 42.209 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 :: 8.745 HA :: 3.975 HB2 :: 2.093 HB3 :: 1.807 HG2 :: 1.537 HG3 :: 1.615 HD2 :: 3.413 HD3 :: 3.205 HE :: 7.990 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 :: 120.297 NE :: 84.057 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.E188 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 I 0.12 K 0.08 M 0.03 Q 0.02 HN Overlap>> 1.D131 1.D131 C Shift Assignments>> C :: 176.811 CA :: 57.589 CB :: 29.326 CG :: 36.651 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 :: 8.009 HA :: 4.381 HB2 :: 1.935 HB3 :: 2.322 HG2 :: 2.564 HG3 :: 2.229 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 :: 117.638 Ave N Shift Values>> N :: 120.68(3.68) 1.Q189 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.23 K 0.19 E 0.18 M 0.08 R 0.01 C Shift Assignments>> C :: 175.238 CA :: 54.683 CB :: 29.471 CG :: 34.757 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 :: 7.165 HA :: 4.488 HB2 :: 2.152 HB3 :: 2.060 HG2 :: 2.254 HG3 :: 2.531 HE21 :: 6.508 HE22 :: 7.281 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 :: 114.700 NE2 :: 112.701 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G190 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.03 C Shift Assignments>> C :: 173.694 CA :: 45.261 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.710 HA2 :: 3.662 HA3 :: 4.055 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.775 Ave N Shift Values>> N :: 109.91(4.29) 1.V191 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.33 C Shift Assignments>> C :: 176.474 CA :: 61.676 CB :: 30.352 CG1 :: 20.726 CG2 :: 20.663 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 :: 7.347 HA :: 3.841 HB :: 1.684 HG11 :: 0.695 HG12 :: 0.695 HG13 :: 0.695 HG21 :: 0.733 HG22 :: 0.733 HG23 :: 0.733 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 :: 119.571 Ave N Shift Values>> N :: 121.02(4.96) 1.E192 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 M 0.15 K 0.05 Q 0.03 I 0.02 C Shift Assignments>> CA :: 55.481 CB :: 30.768 CG :: 36.317 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 :: 8.796 HA :: 4.329 HB2 :: 2.147 HB3 :: 1.684 HG2 :: 2.181 HG3 :: 2.388 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 :: 130.539 Ave N Shift Values>> N :: 120.68(3.68) 1.E193 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.22 K 0.08 Q 0.02 M 0.01 HN Overlap>> 1.L198 1.L198 C Shift Assignments>> CA :: 59.208 CB :: 28.809 CG :: 36.365 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 :: 9.143 HA :: 3.831 HB2 :: 1.907 HB3 :: 1.907 HG2 :: 2.049 HG3 :: 2.211 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 :: 120.964 Ave N Shift Values>> N :: 120.68(3.68) 1.H194 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.41 C 0.29 W 0.28 C Shift Assignments>> C :: 175.731 CA :: 55.194 CB :: 29.453 CD2 :: 118.642 CE1 :: 139.138 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 :: 7.568 HA :: 4.518 HB2 :: 3.235 HB3 :: 2.971 HD2 :: 6.986 HE1 :: 7.812 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 :: 112.743 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E195 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.39 I 0.09 M 0.06 K 0.04 C Shift Assignments>> C :: 175.882 CA :: 56.928 CB :: 30.167 CG :: 37.148 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 :: 6.934 HA :: 3.989 HB2 :: 1.791 HB3 :: 1.848 HG2 :: 1.845 HG3 :: 2.004 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 :: 121.524 Ave N Shift Values>> N :: 120.68(3.68) 1.T196 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.236 CA :: 61.659 CB :: 68.696 CG2 :: 21.664 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 :: 8.614 HA :: 4.554 HB :: 3.894 HG21 :: 0.927 HG22 :: 0.927 HG23 :: 0.927 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 :: 120.901 Ave N Shift Values>> N :: 115.7(5.05) 1.L197 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 G 0.25 C 0.17 A 0.07 R 0.06 HN Overlap>> 1.D3 1.D3 C Shift Assignments>> C :: 174.737 CA :: 51.991 CB :: 43.627 CG :: 26.725 CD1 :: 26.865 CD2 :: 23.006 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 :: 8.438 HA :: 4.900 HB2 :: 1.616 HB3 :: 1.244 HG :: 1.612 HD11 :: 0.779 HD12 :: 0.779 HD13 :: 0.779 HD21 :: 0.749 HD22 :: 0.749 HD23 :: 0.749 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 :: 126.402 Ave N Shift Values>> N :: 121.98(4.07) 1.L198 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.21 G 0.02 R 0.02 A 0.02 HN Overlap>> 1.E193 1.E193 C Shift Assignments>> C :: 175.830 CA :: 53.569 CB :: 42.408 CG :: 26.815 CD1 :: 23.652 CD2 :: 24.456 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 :: 9.085 HA :: 4.707 HB2 :: 1.401 HB3 :: 1.555 HG :: 1.370 HD11 :: 0.716 HD12 :: 0.716 HD13 :: 0.716 HD21 :: 0.699 HD22 :: 0.699 HD23 :: 0.699 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 :: 120.978 Ave N Shift Values>> N :: 121.98(4.07) 1.L199 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.21 R 0.07 G 0.04 A 0.02 C Shift Assignments>> C :: 175.915 CA :: 53.844 CB :: 42.711 CG :: 26.705 CD1 :: 25.916 CD2 :: 23.669 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 :: 7.894 HA :: 4.871 HB2 :: 1.018 HB3 :: 1.851 HG :: 1.371 HD11 :: 0.573 HD12 :: 0.573 HD13 :: 0.573 HD21 :: 0.728 HD22 :: 0.728 HD23 :: 0.728 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 :: 125.649 Ave N Shift Values>> N :: 121.98(4.07) 1.R200 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.35 R 0.15 G 0.04 C Shift Assignments>> C :: 174.367 CA :: 53.336 CB :: 33.944 CG :: 26.113 CD :: 42.532 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 :: 8.651 HA :: 4.729 HB2 :: 1.501 HB3 :: 1.713 HG2 :: 1.434 HG3 :: 1.434 HD2 :: 3.014 HD3 :: 2.973 HE :: 7.334 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 :: 125.976 NE :: 84.612 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.R201 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.3 K 0.2 L 0.06 G 0.02 C Shift Assignments>> C :: 175.180 CA :: 56.117 CB :: 29.611 CG :: 26.761 CD :: 42.722 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 :: 8.791 HA :: 3.594 HB2 :: 1.183 HB3 :: 1.512 HG2 :: 0.796 HG3 :: 0.796 HD2 :: 2.688 HD3 :: 2.688 HE :: 6.728 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 :: 125.049 NE :: 84.237 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.K202 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.45 K 0.45 R 0.05 M 0.02 C Shift Assignments>> C :: 175.375 CA :: 56.315 CB :: 33.739 CG :: 24.316 CD :: 28.598 CE :: 40.969 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 :: 8.351 HA :: 3.773 HB2 :: 0.900(S) HB3 :: 0.823(S) HG2 :: 0.094(S) HG3 :: 0.174(S) HD2 :: 0.882 HD3 :: 0.541(S) HE2 :: 1.952(S) HE3 :: 2.209(S) 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 :: 126.872 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F203 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 174.141 CA :: 55.556 CB :: 40.283 CD1 :: 131.855 CD2 :: 131.855 CE1 :: 131.268 CE2 :: 131.268 CZ :: 128.600 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 :: 7.548 HA :: 4.469 HB2 :: 2.426 HB3 :: 2.681 HD1 :: 7.013 HD2 :: 7.013 HE1 :: 7.104 HE2 :: 7.104 HZ :: 6.965 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 :: 117.606 Ave N Shift Values>> N :: 120.69(4.18) 1.F204 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.34 C 0.28 HN Overlap>> 1.M140 1.M140 C Shift Assignments>> C :: 175.386 CA :: 56.506 CB :: 38.788 CD1 :: 131.671 CD2 :: 131.671 CE1 :: 129.394 CE2 :: 129.394 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 :: 8.160 HA :: 4.407 HB2 :: 2.680 HB3 :: 2.950 HD1 :: 6.965 HD2 :: 6.965 HE1 :: 7.099 HE2 :: 7.099 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 :: 120.031 Ave N Shift Values>> N :: 120.69(4.18) 1.Y205 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.46 HN Overlap>> 1.V114 1.A123 1.V114 1.A123 C Shift Assignments>> C :: 176.394 CA :: 56.963 CB :: 37.909 CD1 :: 132.886 CD2 :: 132.886 CE1 :: 118.228 CE2 :: 118.228 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 :: 7.831 HA :: 4.473 HB2 :: 2.964 HB3 :: 2.795 HD1 :: 6.970 HD2 :: 6.970 HE1 :: 6.613 HE2 :: 6.613 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 :: 121.208 Ave N Shift Values>> N :: 120.79(4.69) 1.S206 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.577 CA :: 57.683 CB :: 63.201 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.261 HA :: 4.348 HB2 :: 3.821 HB3 :: 3.710 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 :: 116.555 Ave N Shift Values>> N :: 116.3(3.95) 1.D207 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.23 C 0.12 L 0.11 F 0.08 Y 0.08 K 0.03 HN Overlap>> 1.D83 1.M7 1.L177 1.D83 1.M7 1.L177 1.L139 1.L139 C Shift Assignments>> C :: 175.425 CA :: 53.689 CB :: 40.200 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 :: 8.156 HA :: 4.582 HB2 :: 2.603 HB3 :: 2.672 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 :: 122.100 Ave N Shift Values>> N :: 120.73(4.2) 1.Q208 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.22 M 0.11 E 0.1 R 0.04 C Shift Assignments>> CA :: 56.582 CB :: 29.767 CG :: 33.544 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 :: 7.717 HA :: 4.068 HB2 :: 2.043 HB3 :: 1.833 HG2 :: 2.210 HG3 :: 2.210 HE21 :: 6.689 HE22 :: 7.440 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 :: 124.403 NE2 :: 112.488 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) ########################################################################### Overall Results: #Consistent: 201 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 178 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 30 Shift Relative Order (SRO) Results: #Consistent: 208 #Suspicious: 0 C Shift Results: #Consistent: 791 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1303 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 0 N Shift Results: #Consistent: 192 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L68 HD21 = -0.162(S), Expected = 0.76, Std = 0.2800, ChiSquare = 9.9175e-04 1.L68 HD22 = -0.162(S), Expected = 0.76, Std = 0.2800, ChiSquare = 9.9175e-04 1.L68 HD23 = -0.162(S), Expected = 0.76, Std = 0.2800, ChiSquare = 9.9175e-04 1.K72 HD2 = 0.493(S), Expected = 1.61, Std = 0.2500, ChiSquare = 7.8954e-06 1.K72 HE2 = 2.248(S), Expected = 2.93, Std = 0.2000, ChiSquare = 6.4963e-04 1.K72 HE3 = 2.248(S), Expected = 2.93, Std = 0.2000, ChiSquare = 6.4963e-04 1.R88 HD3 = 2.137(S), Expected = 3.13, Std = 0.2200, ChiSquare = 6.3725e-06 1.K90 HG3 = 0.026(S), Expected = 1.37, Std = 0.2900, ChiSquare = 3.5783e-06 1.S111 HB3 = 2.420(S), Expected = 3.87, Std = 0.3100, ChiSquare = 2.9051e-06 1.R137 HE = 9.032(S), Expected = 7.32, Std = 0.5200, ChiSquare = 9.9369e-04 1.K202 HB2 = 0.900(S), Expected = 1.79, Std = 0.2500, ChiSquare = 3.7085e-04 1.K202 HB3 = 0.823(S), Expected = 1.78, Std = 0.2600, ChiSquare = 2.3253e-04 1.K202 HG2 = 0.094(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.9077e-06 1.K202 HG3 = 0.174(S), Expected = 1.37, Std = 0.2900, ChiSquare = 3.7213e-05 1.K202 HD3 = 0.541(S), Expected = 1.61, Std = 0.2500, ChiSquare = 1.9028e-05 1.K202 HE2 = 1.952(S), Expected = 2.93, Std = 0.2000, ChiSquare = 1.0084e-06 1.K202 HE3 = 2.209(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.1215e-04