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>> R 0.4 L 0.29 G 0.07 D 0.06 F 0.05 C 0.03 K 0.03 Y 0.03 C Shift Assignments>> CA :: 43.408 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.839 HA3 :: 3.839 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.12 F 0.1 N 0.08 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.051 CA :: 54.575 CB :: 41.255 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.660 HA :: 4.651 HB2 :: 2.695 HB3 :: 2.606 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.800 Ave N Shift Values>> N :: 120.65(3.86) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.22 F 0.11 K 0.11 Y 0.09 N 0.08 C 0.06 R 0.01 C Shift Assignments>> C :: 177.372 CA :: 54.891 CB :: 41.082 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.479 HA :: 4.546 HB2 :: 2.721 HB3 :: 2.643 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.612 Ave N Shift Values>> N :: 120.65(3.86) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 C 0.19 HN Overlap>> 1.K113 1.K113 C Shift Assignments>> C :: 177.177 CA :: 63.245 CB :: 37.730 CG1 :: 26.675 CG2 :: 17.148 CD1 :: 13.228 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.079 HA :: 3.906 HB :: 1.675 HG12 :: 0.921 HG13 :: 0.893 HG21 :: 0.625 HG22 :: 0.625 HG23 :: 0.625 HD11 :: 0.681 HD12 :: 0.681 HD13 :: 0.681 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.029 Ave N Shift Values>> N :: 121.46(4.28) 1.Y5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 176.734 CA :: 59.522 CB :: 37.432 CD1 :: 132.720 CD2 :: 132.720 CE1 :: 118.340 CE2 :: 118.340 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.857 HA :: 4.366 HB2 :: 3.071 HB3 :: 2.939 HD1 :: 7.032 HD2 :: 7.032 HE1 :: 6.770 HE2 :: 6.770 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.635 Ave N Shift Values>> N :: 120.52(4.2) 1.K6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.42 R 0.12 C Shift Assignments>> C :: 178.347 CA :: 58.908 CB :: 32.271 CG :: 25.162 CD :: 28.780 CE :: 42.023 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.916 HA :: 3.954 HB2 :: 1.780 HB3 :: 1.818 HG2 :: 1.352 HG3 :: 1.516 HD2 :: 1.610 HD3 :: 1.667 HE2 :: 2.944 HE3 :: 3.054 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.319 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.43 C 0.01 I 0.01 C Shift Assignments>> C :: 179.427 CA :: 54.186 CB :: 17.905 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.964 HA :: 4.139 HB1 :: 1.380 HB2 :: 1.380 HB3 :: 1.380 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.967 Ave N Shift Values>> N :: 123.23(3.54) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.37 C 0.02 I 0.01 C Shift Assignments>> C :: 180.154 CA :: 54.245 CB :: 18.311 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.627 HA :: 4.192 HB1 :: 1.494 HB2 :: 1.494 HB3 :: 1.494 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.682 Ave N Shift Values>> N :: 123.23(3.54) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 HN Overlap>> 1.R46 1.R46 C Shift Assignments>> C :: 178.343 CA :: 65.823 CB :: 31.577 CG1 :: 22.929 CG2 :: 21.739 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.985 HA :: 3.561 HB :: 2.166 HG11 :: 0.955 HG12 :: 0.955 HG13 :: 0.955 HG21 :: 0.905 HG22 :: 0.905 HG23 :: 0.905 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.063 Ave N Shift Values>> N :: 121.14(4.54) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.35 I 0.11 K 0.08 Q 0.03 M 0.02 C Shift Assignments>> C :: 176.930 CA :: 57.979 CB :: 29.341 CG :: 36.465 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.818 HA :: 4.110 HB2 :: 2.076 HB3 :: 2.117 HG2 :: 2.288 HG3 :: 2.425 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.857 Ave N Shift Values>> N :: 120.67(3.48) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.23 E 0.09 M 0.04 R 0.03 C Shift Assignments>> C :: 176.670 CA :: 55.670 CB :: 29.218 CG :: 34.044 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.458 HA :: 4.255 HB2 :: 2.040 HB3 :: 2.284 HG2 :: 2.481 HG3 :: 2.438 HE21 :: 6.820 HE22 :: 7.510 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 115.491 NE2 :: 112.500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.25 R 0.2 G 0.04 A 0.04 C Shift Assignments>> C :: 177.726 CA :: 54.812 CB :: 42.962 CG :: 26.443 CD1 :: 27.201 CD2 :: 23.029 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.417 HA :: 4.510 HB2 :: 1.311 HB3 :: 1.847 HG :: 1.942 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 HD21 :: 0.847 HD22 :: 0.847 HD23 :: 0.847 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.805 Ave N Shift Values>> N :: 121.86(3.9) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 175.476 CA :: 60.591 CB :: 70.963 CG2 :: 21.809 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.873 HA :: 4.393 HB :: 4.792 HG21 :: 1.352 HG22 :: 1.352 HG23 :: 1.352 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.994 Ave N Shift Values>> N :: 115.42(4.75) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.31 I 0.17 K 0.08 Q 0.05 M 0.01 C Shift Assignments>> C :: 178.383 CA :: 59.653 CB :: 29.153 CG :: 35.962 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.998 HA :: 3.906 HB2 :: 2.055 HB3 :: 2.002 HG2 :: 2.301 HG3 :: 2.365 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.797 Ave N Shift Values>> N :: 120.67(3.48) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 I 0.36 E 0.22 K 0.03 C Shift Assignments>> C :: 179.455 CA :: 60.248 CB :: 28.873 CG :: 36.872 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.572 HA :: 4.010 HB2 :: 2.023 HB3 :: 1.912 HG2 :: 2.361 HG3 :: 2.271 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.780 Ave N Shift Values>> N :: 120.67(3.48) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.21 Q 0.19 K 0.18 I 0.04 M 0.02 R 0.01 C Shift Assignments>> C :: 178.830 CA :: 58.703 CB :: 29.316 CG :: 34.848 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.799 HA :: 3.780 HB2 :: 1.466 HB3 :: 1.397 HG2 :: 2.190 HG3 :: 2.314 HE21 :: 6.820 HE22 :: 7.610 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.736 NE2 :: 111.500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 R 0.14 K 0.13 C Shift Assignments>> C :: 178.757 CA :: 61.558 CB :: 31.724 CG :: 27.113 CD :: 29.374 CE :: 41.762 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.320 HA :: 3.759 HB2 :: 1.913 HB3 :: 1.952 HG2 :: 1.340 HG3 :: 1.370 HD2 :: 1.719 HD3 :: 1.632 HE2 :: 2.931 HE3 :: 2.963 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.867 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 Y 0.2 N 0.15 F 0.15 E 0.12 D 0.04 M 0.04 I 0.03 L 0.01 C Shift Assignments>> C :: 178.408 CA :: 55.874 CB :: 37.706 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.442 HA :: 4.484 HB2 :: 2.779 HB3 :: 2.939 HD21 :: 7.620 HD22 :: 7.000 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.334 ND2 :: 112.183 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.32 I 0.17 K 0.08 Q 0.04 HN Overlap>> 1.A102 1.A102 C Shift Assignments>> CA :: 59.337 CB :: 29.044 CG :: 36.099 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.024 HA :: 4.154 HB2 :: 2.040 HB3 :: 2.040 HG2 :: 2.231 HG3 :: 2.353 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.517 Ave N Shift Values>> N :: 120.67(3.48) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 F 0.44 C Shift Assignments>> C :: 178.148 CA :: 58.540 CB :: 37.100 CD1 :: 130.500 CD2 :: 130.500 CE1 :: 129.600 CE2 :: 129.600 CZ :: 129.600 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.664 HA :: 4.903 HB2 :: 3.451 HB3 :: 3.625 HD1 :: 7.150 HD2 :: 7.150 HE1 :: 7.240 HE2 :: 7.240 HZ :: 7.200 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.300 Ave N Shift Values>> N :: 120.45(4.18) 1.K21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 K 0.28 R 0.28 C Shift Assignments>> C :: 176.792 CA :: 58.559 CB :: 32.035 CG :: 24.251 CD :: 27.375 CE :: 42.149 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.775 HA :: 3.786 HB2 :: 1.620 HB3 :: 1.875 HG2 :: 1.182 HG3 :: 0.882 HD2 :: 1.288 HD3 :: 0.440(S) HE2 :: 2.674 HE3 :: 2.660 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.384 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.41 I 0.02 C 0.01 C Shift Assignments>> C :: 180.129 CA :: 54.633 CB :: 17.651 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.793 HA :: 4.165 HB1 :: 1.518 HB2 :: 1.518 HB3 :: 1.518 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.108 Ave N Shift Values>> N :: 123.23(3.54) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.34 C 0.03 I 0.01 C Shift Assignments>> C :: 177.708 CA :: 54.707 CB :: 18.892 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.436 HA :: 4.255 HB1 :: 1.699 HB2 :: 1.699 HB3 :: 1.699 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.761 Ave N Shift Values>> N :: 123.23(3.54) 1.F24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 176.745 CA :: 62.242 CB :: 40.489 CD1 :: 130.200 CD2 :: 130.200 CE1 :: 130.200 CE2 :: 130.200 CZ :: 130.000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.323 HA :: 3.646 HB2 :: 2.810 HB3 :: 3.252 HD1 :: 7.100 HD2 :: 7.100 HE1 :: 6.950 HE2 :: 6.950 HZ :: 7.000 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.326 Ave N Shift Values>> N :: 120.45(4.18) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 D 0.16 L 0.13 C 0.11 N 0.05 I 0.03 K 0.02 HN Overlap>> 1.V72 1.V72 C Shift Assignments>> C :: 179.048 CA :: 56.573 CB :: 40.138 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.766 HA :: 4.402 HB2 :: 2.707 HB3 :: 2.517 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.634 Ave N Shift Values>> N :: 120.65(3.86) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 HN Overlap>> 1.L41 1.L41 C Shift Assignments>> CA :: 63.792 CB :: 37.234 CG1 :: 28.549 CG2 :: 16.830 CD1 :: 13.233 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.329 HA :: 3.623 HB :: 1.868 HG12 :: 1.661 HG13 :: 1.149 HG21 :: 0.343 HG22 :: 0.343 HG23 :: 0.343 HD11 :: 0.822 HD12 :: 0.822 HD13 :: 0.822 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.302 Ave N Shift Values>> N :: 121.46(4.28) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.66 C 0.33 C Shift Assignments>> CA :: 58.983 CB :: 39.386 CD1 :: 132.300 CD2 :: 132.300 CE1 :: 131.070 CE2 :: 131.070 CZ :: 129.000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> HA :: 4.250 HB2 :: 3.107 HB3 :: 3.085 HD1 :: 7.250 HD2 :: 7.250 HE1 :: 7.150 HE2 :: 7.150 HZ :: 7.200 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.745 CA :: 62.903 CB :: 31.946 CG1 :: 21.732 CG2 :: 21.742 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> HA :: 3.860 HB :: 1.971 HG11 :: 0.755 HG12 :: 0.755 HG13 :: 0.755 HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.32 A 0.01 C Shift Assignments>> C :: 177.944 CA :: 55.948 CB :: 41.456 CG :: 26.660 CD1 :: 24.890 CD2 :: 23.447 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.932 HA :: 4.123 HB2 :: 1.558 HB3 :: 1.725 HG :: 1.459 HD11 :: 0.886 HD12 :: 0.886 HD13 :: 0.886 HD21 :: 0.860 HD22 :: 0.860 HD23 :: 0.860 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.165 Ave N Shift Values>> N :: 121.86(3.9) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.829 CA :: 45.547 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.346 HA2 :: 3.950 HA3 :: 3.873 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.946 Ave N Shift Values>> N :: 109.67(3.87) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.01 HN Overlap>> 1.L116 1.L116 C Shift Assignments>> CA :: 53.115 CB :: 18.622 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.056 HA :: 4.239 HB1 :: 1.455 HB2 :: 1.455 HB3 :: 1.455 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.063 Ave N Shift Values>> N :: 123.23(3.54) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.37 C 0.33 K 0.1 Q 0.08 I 0.06 M 0.04 C Shift Assignments>> C :: 176.556 CA :: 57.686 CB :: 29.639 CG :: 36.005 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> HA :: 4.179 HB2 :: 1.980 HB3 :: 2.074 HG2 :: 2.277 HG3 :: 2.345 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.2 N 0.14 F 0.09 K 0.07 Y 0.07 C 0.05 HN Overlap>> 1.Q58 1.Q58 C Shift Assignments>> C :: 177.425 CA :: 54.087 CB :: 40.908 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.126 HA :: 4.577 HB2 :: 2.859 HB3 :: 2.700 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.861 Ave N Shift Values>> N :: 120.65(3.86) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 173.319 CA :: 46.476 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.075 HA2 :: 4.029 HA3 :: 3.954 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.903 Ave N Shift Values>> N :: 109.67(3.87) 1.C35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.17 H 0.16 C 0.16 E 0.15 M 0.1 Q 0.1 K 0.1 V 0.01 C Shift Assignments>> CA :: 57.140 CB :: 30.930 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.634 HA :: 5.283 HB2 :: 2.761 HB3 :: 2.833 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 115.184 Ave N Shift Values>> N :: 120.17(4.64) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.56 C 0.43 C Shift Assignments>> CA :: 59.538 CB :: 40.677 CG1 :: 25.712 CG2 :: 16.935 CD1 :: 14.045 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> HA :: 4.407 HB :: 1.496 HG12 :: 1.069 HG13 :: 0.746 HG21 :: 0.168 HG22 :: 0.168 HG23 :: 0.168 HD11 :: 0.294 HD12 :: 0.294 HD13 :: 0.294 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 177.557 CA :: 57.113 CB :: 64.287 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.926 HB2 :: 3.835 HB3 :: 4.178 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 176.906 CA :: 65.095 CB :: 67.379 CG2 :: 23.156 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.669 HA :: 3.738 HB :: 4.242 HG21 :: 1.104 HG22 :: 1.104 HG23 :: 1.104 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.979 Ave N Shift Values>> N :: 115.42(4.75) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.43 R 0.11 HN Overlap>> 1.I61 1.I61 C Shift Assignments>> C :: 178.067 CA :: 58.448 CB :: 32.118 CG :: 25.009 CD :: 28.780 CE :: 41.798 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.060 HA :: 4.125 HB2 :: 1.823 HB3 :: 1.780 HG2 :: 1.484 HG3 :: 1.460 HD2 :: 1.655 HD3 :: 1.672 HE2 :: 2.963 HE3 :: 2.992 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.388 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.31 M 0.18 Q 0.02 I 0.01 C Shift Assignments>> C :: 177.038 CA :: 58.325 CB :: 31.986 CG :: 36.190 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.598 HA :: 4.241 HB2 :: 2.168 HB3 :: 2.142 HG2 :: 2.637 HG3 :: 2.526 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.632 Ave N Shift Values>> N :: 120.67(3.48) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.38 R 0.03 G 0.02 HN Overlap>> 1.I26 1.I26 C Shift Assignments>> C :: 177.972 CA :: 58.130 CB :: 42.613 CG :: 26.667 CD1 :: 24.892 CD2 :: 24.892 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.343 HA :: 3.788 HB2 :: 1.623 HB3 :: 1.564 HG :: 1.516 HD11 :: 0.928 HD12 :: 0.928 HD13 :: 0.928 HD21 :: 0.943 HD22 :: 0.943 HD23 :: 0.943 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.289 Ave N Shift Values>> N :: 121.86(3.9) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.04 A 0.02 P 0.02 C Shift Assignments>> C :: 175.509 CA :: 47.451 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.703 HA2 :: 3.786 HA3 :: 3.491 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.848 Ave N Shift Values>> N :: 109.67(3.87) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.46 R 0.05 C Shift Assignments>> C :: 179.256 CA :: 59.486 CB :: 32.444 CG :: 25.001 CD :: 29.184 CE :: 41.783 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.386 HA :: 3.927 HB2 :: 1.895 HB3 :: 1.806 HG2 :: 1.357 HG3 :: 1.477 HD2 :: 1.661 HD3 :: 1.646 HE2 :: 2.978 HE3 :: 2.915 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.070 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.538 CA :: 65.783 CB :: 31.278 CG1 :: 22.370 CG2 :: 22.220 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.504 HA :: 3.512 HB :: 1.818 HG11 :: 0.554 HG12 :: 0.554 HG13 :: 0.554 HG21 :: 0.759 HG22 :: 0.759 HG23 :: 0.759 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.967 Ave N Shift Values>> N :: 121.14(4.54) 1.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 M 0.12 I 0.02 C Shift Assignments>> C :: 178.767 CA :: 59.796 CB :: 31.296 CG :: 34.106 CE :: 18.558 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.287 HA :: 3.966 HB2 :: 2.023 HB3 :: 1.747 HG2 :: 2.729 HG3 :: 2.488 HE1 :: 1.779 HE2 :: 1.779 HE3 :: 1.779 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.041 Ave N Shift Values>> N :: 120.09(3.57) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.37 G 0.08 K 0.05 HN Overlap>> 1.V9 1.V9 C Shift Assignments>> C :: 181.304 CA :: 59.343 CB :: 29.862 CG :: 28.337 CD :: 43.412 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.993 HA :: 4.514 HB2 :: 1.874 HB3 :: 1.931 HG2 :: 1.738 HG3 :: 1.878 HD2 :: 3.257 HD3 :: 3.142 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.975 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.43 C Shift Assignments>> C :: 177.132 CA :: 59.011 CB :: 32.369 CG :: 32.235 CE :: 17.183 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.947 HA :: 4.220 HB2 :: 2.350 HB3 :: 2.460 HG2 :: 2.693 HG3 :: 2.834 HE1 :: 2.201 HE2 :: 2.201 HE3 :: 2.201 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.963 Ave N Shift Values>> N :: 120.09(3.57) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.2 A 0.07 R 0.05 G 0.01 C Shift Assignments>> C :: 176.970 CA :: 54.013 CB :: 42.099 CG :: 26.517 CD1 :: 26.322 CD2 :: 22.856 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.375 HA :: 4.514 HB2 :: 1.837 HB3 :: 1.802 HG :: 1.912 HD11 :: 1.058 HD12 :: 1.058 HD13 :: 1.058 HD21 :: 1.097 HD22 :: 1.097 HD23 :: 1.097 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.432 Ave N Shift Values>> N :: 121.86(3.9) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.040 CA :: 45.893 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.803 HA2 :: 3.789 HA3 :: 4.176 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.196 Ave N Shift Values>> N :: 109.67(3.87) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.24 K 0.21 M 0.2 R 0.01 E 0.01 C Shift Assignments>> C :: 174.017 CA :: 53.289 CB :: 30.073 CG :: 33.064 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.141 HA :: 4.448 HB2 :: 1.560 HB3 :: 2.064 HG2 :: 2.087 HG3 :: 2.123 HE21 :: 7.338 HE22 :: 6.843 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.307 NE2 :: 112.900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.23 C 0.07 L 0.05 F 0.03 Y 0.03 C Shift Assignments>> CA :: 51.235 CB :: 39.567 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.734 HA :: 5.106 HB2 :: 2.480 HB3 :: 2.710 HD21 :: 7.515 HD22 :: 6.750 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 117.359 ND2 :: 112.800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 177.387 CA :: 62.515 CB :: 31.227 CG :: 27.283 CD :: 49.799 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.716 HB2 :: 2.199 HB3 :: 1.902 HG2 :: 1.904 HG3 :: 1.941 HD2 :: 3.571 HD3 :: 3.290 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.23 S 0.01 C Shift Assignments>> CA :: 60.354 CB :: 67.960 CG2 :: 22.055 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.955 HA :: 4.562 HB :: 4.777 HG21 :: 1.380 HG22 :: 1.380 HG23 :: 1.380 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.990 Ave N Shift Values>> N :: 115.42(4.75) 1.P54 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 :: 179.652 CA :: 65.756 CB :: 31.529 CG :: 28.177 CD :: 50.049 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.161 HB2 :: 1.875 HB3 :: 2.363 HG2 :: 2.007 HG3 :: 2.228 HD2 :: 3.879 HD3 :: 3.939 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.44 C 0.36 E 0.16 K 0.01 C Shift Assignments>> C :: 179.209 CA :: 60.431 CB :: 28.569 CG :: 37.178 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.842 HA :: 3.999 HB2 :: 2.041 HB3 :: 1.920 HG2 :: 2.478 HG3 :: 2.207 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.568 Ave N Shift Values>> N :: 120.67(3.48) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.35 I 0.17 K 0.03 M 0.01 C Shift Assignments>> C :: 179.624 CA :: 58.847 CB :: 29.714 CG :: 37.060 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.853 HA :: 3.991 HB2 :: 1.806 HB3 :: 2.294 HG2 :: 2.296 HG3 :: 2.321 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.139 Ave N Shift Values>> N :: 120.67(3.48) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.38 R 0.01 C Shift Assignments>> C :: 177.963 CA :: 57.736 CB :: 41.876 CG :: 26.844 CD1 :: 24.775 CD2 :: 24.358 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.410 HA :: 4.007 HB2 :: 1.652 HB3 :: 1.577 HG :: 1.573 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 HD21 :: 0.798 HD22 :: 0.798 HD23 :: 0.798 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.088 Ave N Shift Values>> N :: 121.86(3.9) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.25 K 0.24 R 0.11 E 0.02 M 0.02 I 0.01 HN Overlap>> 1.D33 1.D33 C Shift Assignments>> C :: 177.245 CA :: 58.237 CB :: 28.100 CG :: 33.429 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.023 HA :: 3.753 HB2 :: 2.016 HB3 :: 2.115 HG2 :: 2.409 HG3 :: 2.357 HE21 :: 7.500 HE22 :: 6.820 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.829 NE2 :: 112.500 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 I 0.17 K 0.07 Q 0.03 M 0.01 C Shift Assignments>> C :: 178.935 CA :: 59.398 CB :: 29.292 CG :: 36.214 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.739 HA :: 4.046 HB2 :: 2.060 HB3 :: 2.040 HG2 :: 2.182 HG3 :: 2.418 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.154 Ave N Shift Values>> N :: 120.67(3.48) 1.M60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.42 C Shift Assignments>> C :: 178.340 CA :: 59.343 CB :: 33.362 CG :: 32.291 CE :: 17.202 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.638 HA :: 4.000 HB2 :: 2.283 HB3 :: 1.938 HG2 :: 2.754 HG3 :: 2.420 HE1 :: 1.922 HE2 :: 1.922 HE3 :: 1.922 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.453 Ave N Shift Values>> N :: 120.09(3.57) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 C 0.15 HN Overlap>> 1.K39 1.K39 C Shift Assignments>> C :: 177.378 CA :: 65.531 CB :: 37.813 CG1 :: 30.119 CG2 :: 17.526 CD1 :: 14.034 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.121 HA :: 3.387 HB :: 1.843 HG12 :: 1.741 HG13 :: 0.680 HG21 :: 0.880 HG22 :: 0.880 HG23 :: 0.880 HD11 :: 0.768 HD12 :: 0.768 HD13 :: 0.768 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.440 Ave N Shift Values>> N :: 121.46(4.28) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 D 0.14 C 0.12 L 0.11 I 0.04 N 0.04 K 0.02 C Shift Assignments>> C :: 178.038 CA :: 56.834 CB :: 40.004 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.596 HA :: 4.273 HB2 :: 2.619 HB3 :: 2.750 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.502 Ave N Shift Values>> N :: 120.65(3.86) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 M 0.06 I 0.06 K 0.05 Q 0.04 C Shift Assignments>> C :: 177.708 CA :: 58.207 CB :: 30.186 CG :: 36.252 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.404 HA :: 4.112 HB2 :: 2.044 HB3 :: 2.062 HG2 :: 2.475 HG3 :: 2.213 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 116.594 Ave N Shift Values>> N :: 120.67(3.48) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 176.122 CA :: 62.638 CB :: 32.694 CG1 :: 20.834 CG2 :: 21.421 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.608 HA :: 4.298 HB :: 2.183 HG11 :: 0.949 HG12 :: 0.949 HG13 :: 0.949 HG21 :: 0.933 HG22 :: 0.933 HG23 :: 0.933 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 113.754 Ave N Shift Values>> N :: 121.14(4.54) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 D 0.31 L 0.11 F 0.07 C 0.06 Y 0.06 C Shift Assignments>> C :: 177.444 CA :: 53.045 CB :: 40.064 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.434 HA :: 5.043 HB2 :: 2.849 HB3 :: 2.318 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.341 Ave N Shift Values>> N :: 120.65(3.86) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.37 I 0.09 K 0.06 Q 0.04 M 0.04 C Shift Assignments>> C :: 177.378 CA :: 58.808 CB :: 29.995 CG :: 36.182 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.256 HA :: 4.110 HB2 :: 2.053 HB3 :: 2.073 HG2 :: 2.254 HG3 :: 2.310 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.886 Ave N Shift Values>> N :: 120.67(3.48) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.24 L 0.15 F 0.08 Y 0.06 C 0.06 K 0.02 C Shift Assignments>> C :: 177.330 CA :: 53.447 CB :: 40.468 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.494 HA :: 4.669 HB2 :: 2.851 HB3 :: 2.697 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.162 Ave N Shift Values>> N :: 120.65(3.86) 1.G68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 175.660 CA :: 46.921 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.960 HA2 :: 3.898 HA3 :: 3.811 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.419 Ave N Shift Values>> N :: 109.67(3.87) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.566 CA :: 60.073 CB :: 63.941 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.128 HA :: 4.234 HB2 :: 4.017 HB3 :: 3.959 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 118.916 Ave N Shift Values>> N :: 116.28(3.52) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.07 C 0.03 C Shift Assignments>> C :: 174.536 CA :: 45.914 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.347 HA2 :: 4.134 HA3 :: 3.814 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.345 Ave N Shift Values>> N :: 109.67(3.87) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 T 0.46 C Shift Assignments>> C :: 172.988 CA :: 59.302 CB :: 72.714 CG2 :: 22.077 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.901 HA :: 5.315 HB :: 3.967 HG21 :: 1.073 HG22 :: 1.073 HG23 :: 1.073 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.118 Ave N Shift Values>> N :: 115.42(4.75) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 HN Overlap>> 1.D25 1.D25 C Shift Assignments>> C :: 174.716 CA :: 60.007 CB :: 35.134 CG1 :: 20.465 CG2 :: 21.959 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.762 HA :: 4.819 HB :: 2.244 HG11 :: 0.904 HG12 :: 0.904 HG13 :: 0.904 HG21 :: 1.003 HG22 :: 1.003 HG23 :: 1.003 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 115.632 Ave N Shift Values>> N :: 121.14(4.54) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.22 N 0.16 K 0.07 C 0.05 F 0.04 Y 0.02 R 0.02 C Shift Assignments>> C :: 176.410 CA :: 52.000 CB :: 41.627 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.790 HA :: 4.790 HB2 :: 2.915 HB3 :: 2.770 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 124.835 Ave N Shift Values>> N :: 120.65(3.86) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.67 C 0.32 C Shift Assignments>> C :: 176.188 CA :: 61.229 CB :: 38.645 CD1 :: 131.900 CD2 :: 131.900 CE1 :: 130.000 CE2 :: 130.000 CZ :: 130.000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.664 HA :: 3.482 HB2 :: 2.626 HB3 :: 2.480 HD1 :: 6.550 HD2 :: 6.550 HE1 :: 7.100 HE2 :: 7.100 HZ :: 7.430 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.933 Ave N Shift Values>> N :: 120.45(4.18) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.27 C 0.13 I 0.09 L 0.08 D 0.07 K 0.02 N 0.01 C Shift Assignments>> C :: 179.511 CA :: 58.032 CB :: 40.165 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.793 HA :: 4.036 HB2 :: 2.689 HB3 :: 2.524 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 117.969 Ave N Shift Values>> N :: 120.65(3.86) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.1 K 0.06 Q 0.04 M 0.03 HN Overlap>> 1.E114 1.E114 C Shift Assignments>> C :: 178.765 CA :: 58.641 CB :: 29.822 CG :: 36.303 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.343 HA :: 3.902 HB2 :: 2.433 HB3 :: 1.756 HG2 :: 2.278 HG3 :: 2.323 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.701 Ave N Shift Values>> N :: 120.67(3.48) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 C Shift Assignments>> C :: 176.585 CA :: 60.992 CB :: 39.313 CD1 :: 131.500 CD2 :: 131.500 CE1 :: 130.050 CE2 :: 130.050 CZ :: 130.000 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.667 HA :: 4.043 HB2 :: 3.195 HB3 :: 3.040 HD1 :: 6.950 HD2 :: 6.950 HE1 :: 7.100 HE2 :: 7.100 HZ :: 7.100 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 121.912 Ave N Shift Values>> N :: 120.45(4.18) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.48 HN Overlap>> 1.M103 1.M103 C Shift Assignments>> C :: 178.425 CA :: 57.884 CB :: 41.354 CG :: 25.091 CD1 :: 25.854 CD2 :: 23.886 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.123 HA :: 3.308 HB2 :: 1.756 HB3 :: 1.050 HG :: 0.978 HD11 :: 0.611 HD12 :: 0.611 HD13 :: 0.611 HD21 :: 0.625 HD22 :: 0.625 HD23 :: 0.625 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.916 Ave N Shift Values>> N :: 121.86(3.9) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 177.604 CA :: 66.423 CB :: 30.881 CG1 :: 21.496 CG2 :: 23.140 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.000 HA :: 3.258 HB :: 2.192 HG11 :: 0.731 HG12 :: 0.731 HG13 :: 0.731 HG21 :: 0.988 HG22 :: 0.988 HG23 :: 0.988 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.637 Ave N Shift Values>> N :: 121.14(4.54) 1.M80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 M 0.35 C Shift Assignments>> C :: 178.057 CA :: 59.224 CB :: 32.369 CG :: 32.918 CE :: 18.321 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.535 HA :: 3.729 HB2 :: 1.966 HB3 :: 1.825 HG2 :: 2.675 HG3 :: 2.254 HE1 :: 1.881 HE2 :: 1.881 HE3 :: 1.881 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.638 Ave N Shift Values>> N :: 120.09(3.57) 1.M81 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.48 M 0.44 A 0.07 C Shift Assignments>> C :: 178.822 CA :: 56.439 CB :: 30.062 CG :: 31.898 CE :: 16.994 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.055 HA :: 3.982 HB2 :: 1.278 HB3 :: 1.567 HG2 :: 1.160(S) HG3 :: 1.274 HE1 :: 1.338 HE2 :: 1.338 HE3 :: 1.338 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.451 Ave N Shift Values>> N :: 120.09(3.57) 1.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 178.595 CA :: 66.063 CB :: 30.905 CG1 :: 21.737 CG2 :: 21.754 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.987 HA :: 3.791 HB :: 2.146 HG11 :: 0.941 HG12 :: 0.941 HG13 :: 0.941 HG21 :: 1.059 HG22 :: 1.059 HG23 :: 1.059 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.741 Ave N Shift Values>> N :: 121.14(4.54) 1.R83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.41 G 0.1 K 0.02 C Shift Assignments>> C :: 178.548 CA :: 59.324 CB :: 29.639 CG :: 27.232 CD :: 43.585 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.808 HA :: 3.767 HB2 :: 1.801 HB3 :: 1.632 HG2 :: 1.056 HG3 :: 1.452 HD2 :: 2.768 HD3 :: 2.738 HE :: 7.125 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.733 NE :: 84.44 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.C84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 P 0.3 C 0.17 R 0.03 Q 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 175.905 CA :: 61.955 CB :: 27.257 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.811 HA :: 4.202 HB2 :: 2.870 HB3 :: 2.927 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.689 Ave N Shift Values>> N :: 120.17(4.64) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.47 A 0.02 C Shift Assignments>> C :: 176.471 CA :: 57.189 CB :: 33.759 CG :: 31.989 CE :: 16.726 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.796 HA :: 4.178 HB2 :: 2.177 HB3 :: 2.040 HG2 :: 2.730 HG3 :: 2.477 HE1 :: 2.070 HE2 :: 2.070 HE3 :: 2.070 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.389 Ave N Shift Values>> N :: 120.09(3.57) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.4 R 0.13 C Shift Assignments>> C :: 176.358 CA :: 56.639 CB :: 32.728 CG :: 24.541 CD :: 28.916 CE :: 42.005 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.764 HA :: 4.241 HB2 :: 1.741 HB3 :: 1.856 HG2 :: 1.370 HG3 :: 1.439 HD2 :: 1.714 HD3 :: 1.667 HE2 :: 2.963 HE3 :: 2.930 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.908 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.11 F 0.09 K 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.207 CA :: 54.261 CB :: 41.057 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.227 HA :: 4.654 HB2 :: 2.784 HB3 :: 2.642 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.422 Ave N Shift Values>> N :: 120.65(3.86) 1.D88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 F 0.11 Y 0.08 K 0.08 C 0.06 C Shift Assignments>> C :: 176.953 CA :: 54.559 CB :: 40.908 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.388 HA :: 4.627 HB2 :: 2.740 HB3 :: 2.640 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.780 Ave N Shift Values>> N :: 120.65(3.86) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.169 CA :: 59.586 CB :: 63.543 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.420 HA :: 4.344 HB2 :: 3.973 HB3 :: 3.870 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.572 Ave N Shift Values>> N :: 116.28(3.52) 1.K90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.37 R 0.18 C Shift Assignments>> C :: 177.151 CA :: 56.495 CB :: 32.270 CG :: 24.509 CD :: 28.780 CE :: 42.130 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.179 HA :: 4.323 HB2 :: 1.790 HB3 :: 1.856 HG2 :: 1.379 HG3 :: 1.456 HD2 :: 1.672 HD3 :: 1.610 HE2 :: 3.003 HE3 :: 2.963 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.963 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 174.040 CA :: 45.263 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.231 HA2 :: 3.916 HA3 :: 3.976 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.130 Ave N Shift Values>> N :: 109.67(3.87) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 178.350 CA :: 52.705 CB :: 19.066 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.145 HA :: 4.315 HB1 :: 1.391 HB2 :: 1.391 HB3 :: 1.391 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.677 Ave N Shift Values>> N :: 123.23(3.54) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.040 CA :: 45.301 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.463 HA2 :: 3.962 HA3 :: 3.919 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.368 Ave N Shift Values>> N :: 109.67(3.87) 1.A94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.12 C 0.01 C Shift Assignments>> C :: 178.189 CA :: 52.698 CB :: 19.091 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.261 HA :: 4.306 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.106 Ave N Shift Values>> N :: 123.23(3.54) 1.G95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 173.951 CA :: 45.226 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.393 HA2 :: 3.924 HA3 :: 3.954 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.075 Ave N Shift Values>> N :: 109.67(3.87) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.31 C Shift Assignments>> C :: 175.848 CA :: 62.413 CB :: 32.394 CG1 :: 21.151 CG2 :: 20.701 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.946 HA :: 4.080 HB :: 2.034 HG11 :: 0.888 HG12 :: 0.888 HG13 :: 0.888 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.717 Ave N Shift Values>> N :: 121.14(4.54) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.37 G 0.06 K 0.05 C Shift Assignments>> C :: 175.943 CA :: 55.827 CB :: 30.806 CG :: 27.027 CD :: 43.288 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.386 HA :: 4.407 HB2 :: 1.751 HB3 :: 1.822 HG2 :: 1.578 HG3 :: 1.634 HD2 :: 3.220 HD3 :: 3.162 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.069 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.773 CA :: 60.962 CB :: 38.773 CG1 :: 27.339 CG2 :: 17.516 CD1 :: 13.009 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.238 HA :: 4.190 HB :: 1.834 HG12 :: 1.168 HG13 :: 1.484 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.373 Ave N Shift Values>> N :: 121.46(4.28) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.669 CA :: 57.873 CB :: 64.173 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.350 HA :: 4.472 HB2 :: 4.067 HB3 :: 3.920 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.264 Ave N Shift Values>> N :: 116.28(3.52) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.36 C 0.02 I 0.01 C Shift Assignments>> C :: 178.841 CA :: 54.332 CB :: 18.474 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.698 HA :: 4.176 HB1 :: 1.436 HB2 :: 1.436 HB3 :: 1.436 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.749 Ave N Shift Values>> N :: 123.23(3.54) 1.D101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.18 L 0.18 Y 0.15 K 0.1 C 0.08 N 0.04 I 0.01 C Shift Assignments>> C :: 177.500 CA :: 56.159 CB :: 40.784 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.313 HA :: 4.422 HB2 :: 2.895 HB3 :: 2.727 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.037 Ave N Shift Values>> N :: 120.65(3.86) 1.A102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.4 C 0.02 I 0.01 HN Overlap>> 1.E19 1.E19 C Shift Assignments>> C :: 180.219 CA :: 54.461 CB :: 18.321 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.023 HA :: 4.152 HB1 :: 1.478 HB2 :: 1.478 HB3 :: 1.478 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.600 Ave N Shift Values>> N :: 123.23(3.54) 1.M103 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 HN Overlap>> 1.L78 1.L78 C Shift Assignments>> C :: 180.238 CA :: 57.917 CB :: 32.160 CG :: 32.161 CE :: 17.194 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.225 HA :: 4.131 HB2 :: 1.512 HB3 :: 1.445 HG2 :: 2.623 HG3 :: 2.533 HE1 :: 2.050 HE2 :: 2.050 HE3 :: 2.050 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.916 Ave N Shift Values>> N :: 120.09(3.57) 1.M104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 M 0.48 A 0.02 C Shift Assignments>> C :: 178.161 CA :: 57.438 CB :: 31.811 CG :: 32.112 CE :: 17.020 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.224 HA :: 4.303 HB2 :: 2.201 HB3 :: 2.122 HG2 :: 2.659 HG3 :: 2.608 HE1 :: 2.026 HE2 :: 2.026 HE3 :: 2.026 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.096 Ave N Shift Values>> N :: 120.09(3.57) 1.Q105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 K 0.25 R 0.08 E 0.05 M 0.02 I 0.01 HN Overlap>> 1.R111 1.R111 C Shift Assignments>> C :: 178.180 CA :: 58.191 CB :: 28.299 CG :: 33.765 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.188 HA :: 4.037 HB2 :: 1.992 HB3 :: 2.103 HG2 :: 2.399 HG3 :: 2.456 HE21 :: 8.012 HE22 :: 6.826 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.623 NE2 :: 116.845 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.37 C 0.01 I 0.01 C Shift Assignments>> C :: 179.388 CA :: 54.139 CB :: 18.222 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.935 HA :: 4.196 HB1 :: 1.504 HB2 :: 1.504 HB3 :: 1.504 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.664 Ave N Shift Values>> N :: 123.23(3.54) 1.L107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.36 R 0.02 C Shift Assignments>> C :: 178.473 CA :: 56.938 CB :: 41.925 CG :: 26.864 CD1 :: 24.864 CD2 :: 23.451 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.005 HA :: 4.187 HB2 :: 1.701 HB3 :: 1.652 HG :: 1.668 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.867 HD22 :: 0.867 HD23 :: 0.867 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.443 Ave N Shift Values>> N :: 121.86(3.9) 1.L108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.33 R 0.03 A 0.01 C Shift Assignments>> C :: 179.190 CA :: 56.383 CB :: 41.950 CG :: 26.855 CD1 :: 25.193 CD2 :: 22.958 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.132 HA :: 4.189 HB2 :: 1.783 HB3 :: 1.536 HG :: 1.573 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 HD21 :: 0.835 HD22 :: 0.835 HD23 :: 0.835 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.343 Ave N Shift Values>> N :: 121.86(3.9) 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.017 CA :: 45.870 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.105 HA2 :: 3.954 HA3 :: 3.927 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.134 Ave N Shift Values>> N :: 109.67(3.87) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.2 C 0.01 HN Overlap>> 1.A112 1.A112 C Shift Assignments>> C :: 178.586 CA :: 53.232 CB :: 18.646 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.056 HA :: 4.252 HB1 :: 1.435 HB2 :: 1.435 HB3 :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.860 Ave N Shift Values>> N :: 123.23(3.54) 1.R111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.39 G 0.07 K 0.03 HN Overlap>> 1.Q105 1.Q105 C Shift Assignments>> C :: 176.896 CA :: 56.596 CB :: 30.343 CG :: 27.114 CD :: 43.451 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.086 HA :: 4.248 HB2 :: 1.885 HB3 :: 1.808 HG2 :: 1.716 HG3 :: 1.647 HD2 :: 3.157 HD3 :: 3.182 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.623 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 M 0.29 C 0.02 I 0.01 HN Overlap>> 1.A110 1.A110 C Shift Assignments>> C :: 178.284 CA :: 54.261 CB :: 18.854 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.057 HA :: 4.205 HB1 :: 1.423 HB2 :: 1.423 HB3 :: 1.423 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.860 Ave N Shift Values>> N :: 123.23(3.54) 1.K113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.42 R 0.12 HN Overlap>> 1.I4 1.I4 C Shift Assignments>> C :: 177.085 CA :: 57.299 CB :: 32.692 CG :: 24.732 CD :: 28.813 CE :: 41.942 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.149 HA :: 4.182 HB2 :: 1.856 HB3 :: 1.780 HG2 :: 1.472 HG3 :: 1.388 HD2 :: 1.684 HD3 :: 1.638 HE2 :: 3.003 HE3 :: 2.963 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.971 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.34 K 0.08 I 0.05 M 0.05 Q 0.05 HN Overlap>> 1.E76 1.E76 C Shift Assignments>> C :: 176.930 CA :: 57.145 CB :: 29.813 CG :: 36.370 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.318 HA :: 4.242 HB2 :: 1.989 HB3 :: 2.070 HG2 :: 2.310 HG3 :: 2.248 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.615 Ave N Shift Values>> N :: 120.67(3.48) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.867 CA :: 58.899 CB :: 63.519 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.164 HA :: 4.383 HB2 :: 3.923 HB3 :: 3.871 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.927 Ave N Shift Values>> N :: 116.28(3.52) 1.L116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.31 R 0.04 A 0.01 G 0.01 HN Overlap>> 1.A31 1.A31 C Shift Assignments>> C :: 177.349 CA :: 55.874 CB :: 42.148 CG :: 26.986 CD1 :: 25.162 CD2 :: 23.485 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.142 HA :: 4.246 HB2 :: 1.674 HB3 :: 1.579 HG :: 1.521 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 HD21 :: 0.818 HD22 :: 0.818 HD23 :: 0.818 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.049 Ave N Shift Values>> N :: 121.86(3.9) 1.D117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.18 N 0.15 F 0.11 Y 0.09 C 0.06 K 0.05 C Shift Assignments>> C :: 176.906 CA :: 54.490 CB :: 40.610 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.297 HA :: 4.556 HB2 :: 2.604 HB3 :: 2.755 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.026 Ave N Shift Values>> N :: 120.65(3.86) 1.L118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.34 R 0.02 C Shift Assignments>> C :: 178.057 CA :: 56.197 CB :: 41.826 CG :: 26.846 CD1 :: 23.531 CD2 :: 24.879 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.183 HA :: 4.242 HB2 :: 1.703 HB3 :: 1.652 HG :: 1.660 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.901 HD22 :: 0.901 HD23 :: 0.901 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.324 Ave N Shift Values>> N :: 121.86(3.9) 1.R119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.41 K 0.05 G 0.05 C Shift Assignments>> C :: 177.057 CA :: 57.068 CB :: 30.036 CG :: 27.237 CD :: 43.203 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.152 HA :: 4.183 HB2 :: 1.878 HB3 :: 1.817 HG2 :: 1.695 HG3 :: 1.626 HD2 :: 3.196 HD3 :: 3.168 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.209 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.23 C 0.01 C Shift Assignments>> C :: 178.189 CA :: 53.466 CB :: 18.644 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.981 HA :: 4.154 HB1 :: 1.367 HB2 :: 1.367 HB3 :: 1.367 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.901 Ave N Shift Values>> N :: 123.23(3.54) 1.H121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.54 C 0.45 C Shift Assignments>> C :: 175.631 CA :: 56.722 CB :: 30.062 CD2 :: 119.600 CE1 :: 138.090 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.156 HA :: 4.538 HB2 :: 3.170 HB3 :: 3.110 HD2 :: 7.025 HE1 :: 7.954 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.392 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.29 A 0.02 R 0.01 C Shift Assignments>> C :: 177.312 CA :: 55.350 CB :: 41.925 CG :: 26.675 CD1 :: 23.156 CD2 :: 24.842 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.894 HA :: 4.237 HB2 :: 1.639 HB3 :: 1.518 HG :: 1.452 HD11 :: 0.825 HD12 :: 0.825 HD13 :: 0.825 HD21 :: 0.889 HD22 :: 0.889 HD23 :: 0.889 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.787 Ave N Shift Values>> N :: 121.86(3.9) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.41 R 0.09 C Shift Assignments>> C :: 176.217 CA :: 56.612 CB :: 32.717 CG :: 24.440 CD :: 28.977 CE :: 41.773 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.065 HA :: 4.259 HB2 :: 1.875 HB3 :: 1.780 HG2 :: 1.462 HG3 :: 1.405 HD2 :: 1.630 HD3 :: 1.610 HE2 :: 2.951 HE3 :: 2.974 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.201 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.28 C 0.23 M 0.06 E 0.06 R 0.03 C Shift Assignments>> C :: 175.764 CA :: 55.546 CB :: 29.391 CG :: 33.718 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.219 HA :: 4.332 HB2 :: 1.961 HB3 :: 2.040 HG2 :: 2.320 HG3 :: 2.320 HE21 :: 7.540 HE22 :: 6.880 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.117 NE2 :: 112.700 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.690 CA :: 62.253 CB :: 32.493 CG1 :: 21.008 CG2 :: 20.529 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.155 HA :: 4.063 HB :: 2.026 HG11 :: 0.899 HG12 :: 0.899 HG13 :: 0.899 HG21 :: 0.919 HG22 :: 0.919 HG23 :: 0.919 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.139 Ave N Shift Values>> N :: 121.14(4.54) 1.K126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.4 R 0.07 C Shift Assignments>> C :: 175.848 CA :: 56.048 CB :: 33.089 CG :: 24.395 CD :: 29.100 CE :: 41.796 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.374 HA :: 4.319 HB2 :: 1.790 HB3 :: 1.713 HG2 :: 1.365 HG3 :: 1.464 HD2 :: 1.640 HD3 :: 1.688 HE2 :: 2.930 HE3 :: 2.918 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.081 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.4 R 0.1 C Shift Assignments>> C :: 176.113 CA :: 56.170 CB :: 33.071 CG :: 24.473 CD :: 28.779 CE :: 41.782 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.457 HA :: 4.322 HB2 :: 1.722 HB3 :: 1.780 HG2 :: 1.380 HG3 :: 1.456 HD2 :: 1.610 HD3 :: 1.629 HE2 :: 2.996 HE3 :: 2.939 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.952 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.32 M 0.12 Q 0.06 K 0.05 I 0.01 C Shift Assignments>> C :: 175.056 CA :: 56.213 CB :: 30.429 CG :: 36.182 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.531 HA :: 4.352 HB2 :: 2.095 HB3 :: 1.877 HG2 :: 2.230 HG3 :: 2.108 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 123.663 Ave N Shift Values>> N :: 120.67(3.48) 1.D129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.21 D 0.19 F 0.11 Y 0.08 R 0.06 C 0.05 N 0.02 C Shift Assignments>> CA :: 55.651 CB :: 41.801 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.023 HA :: 4.356 HB2 :: 2.640 HB3 :: 2.552 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.254 Ave N Shift Values>> N :: 120.65(3.86) ########################################################################### Overall Results: #Consistent: 127 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 129 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 129 #Suspicious: 0 C Shift Results: #Consistent: 550 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 895 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 130 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K21 HD3 = 0.440(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.3441e-07 1.M81 HG2 = 1.160(S), Expected = 2.42, Std = 0.3500, ChiSquare = 3.1822e-04