Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.Q1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.8 A 0.18 C Shift Assignments>> C :: 176.016 CA :: 55.604 CB :: 32.910 CG :: 31.901 CE :: 16.881 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>> HA :: 4.425 HB2 :: 2.029 HB3 :: 1.935 HG2 :: 2.532 HG3 :: 2.492 HE1 :: 2.037 HE2 :: 2.037 HE3 :: 2.037 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) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 K 0.12 M 0.11 Q 0.11 I 0.04 C Shift Assignments>> C :: 176.331 CA :: 56.669 CB :: 29.994 CG :: 36.128 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 :: 8.628 HA :: 4.276 HB2 :: 1.968 HB3 :: 1.884 HG2 :: 2.199 HG3 :: 2.199 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 :: 122.855 Ave N Shift Values>> N :: 120.67(3.48) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K50 1.K50 C Shift Assignments>> C :: 176.074 CA :: 62.128 CB :: 32.906 CG1 :: 21.185 CG2 :: 20.453 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 :: 8.177 HA :: 4.098 HB :: 2.016 HG11 :: 0.883 HG12 :: 0.883 HG13 :: 0.883 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 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 :: 121.499 Ave N Shift Values>> N :: 121.14(4.54) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L94 1.L94 C Shift Assignments>> C :: 174.496 CA :: 58.096 CB :: 64.020 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.389 HA :: 4.402 HB2 :: 3.879 HB3 :: 3.824 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.949 Ave N Shift Values>> N :: 116.28(3.52) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.16 C Shift Assignments>> C :: 178.059 CA :: 53.151 CB :: 19.004 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.431 HA :: 4.212 HB1 :: 1.354 HB2 :: 1.354 HB3 :: 1.354 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.064 Ave N Shift Values>> N :: 123.23(3.54) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.18 Y 0.11 F 0.1 L 0.05 E 0.01 M 0.01 C Shift Assignments>> C :: 175.868 CA :: 53.841 CB :: 38.639 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 :: 8.312 HA :: 4.571 HB2 :: 2.776 HB3 :: 2.712 HD21 :: 6.882 HD22 :: 7.585 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.954 ND2 :: 112.954 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 K 0.13 I 0.09 Q 0.08 M 0.07 C Shift Assignments>> C :: 177.247 CA :: 57.507 CB :: 29.741 CG :: 36.292 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 :: 8.245 HA :: 4.162 HB2 :: 1.998 HB3 :: 1.998 HG2 :: 2.204 HG3 :: 2.204 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 :: 121.267 Ave N Shift Values>> N :: 120.67(3.48) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 R 0.04 A 0.01 G 0.01 C Shift Assignments>> C :: 178.235 CA :: 56.126 CB :: 42.020 CG :: 26.946 CD1 :: 24.876 CD2 :: 23.445 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 :: 8.060 HA :: 4.197 HB2 :: 1.659 HB3 :: 1.543 HG :: 1.587 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 HD21 :: 0.810 HD22 :: 0.810 HD23 :: 0.810 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 :: 121.828 Ave N Shift Values>> N :: 121.86(3.9) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.13 Q 0.11 M 0.1 I 0.05 C Shift Assignments>> C :: 177.123 CA :: 57.085 CB :: 29.983 CG :: 36.090 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 :: 8.147 HA :: 4.131 HB2 :: 1.977 HB3 :: 1.977 HG2 :: 2.227 HG3 :: 2.197 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 :: 120.956 Ave N Shift Values>> N :: 120.67(3.48) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.18 C Shift Assignments>> C :: 178.397 CA :: 53.207 CB :: 18.829 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.113 HA :: 4.201 HB1 :: 1.370 HB2 :: 1.370 HB3 :: 1.370 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.060 Ave N Shift Values>> N :: 123.23(3.54) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.19 HN Overlap>> 1.R16 1.R16 C Shift Assignments>> C :: 178.794 CA :: 53.303 CB :: 18.835 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.142 HA :: 4.218 HB1 :: 1.401 HB2 :: 1.401 HB3 :: 1.401 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.326 Ave N Shift Values>> N :: 123.23(3.54) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.451 CA :: 59.538 CB :: 63.477 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.165 HA :: 4.342 HB2 :: 3.873 HB3 :: 3.873 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 :: 114.553 Ave N Shift Values>> N :: 116.28(3.52) 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 :: 175.478 CA :: 59.384 CB :: 63.455 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.205 HA :: 4.394 HB2 :: 3.912 HB3 :: 3.912 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.597 Ave N Shift Values>> N :: 116.28(3.52) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 K 0.09 G 0.09 HN Overlap>> 1.A13 1.A13 C Shift Assignments>> C :: 177.474 CA :: 57.826 CB :: 30.165 CG :: 27.325 CD :: 43.249 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 :: 8.148 HA :: 4.203 HB2 :: 1.840 HB3 :: 1.840 HG2 :: 1.556 HG3 :: 1.556 HD2 :: 3.165 HD3 :: 3.165 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 :: 122.380 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.M17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.94 A 0.05 C Shift Assignments>> C :: 177.442 CA :: 57.361 CB :: 31.857 CG :: 32.011 CE :: 16.963 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 :: 8.140 HA :: 4.205 HB2 :: 2.044 HB3 :: 2.044 HG2 :: 2.460 HG3 :: 2.520 HE1 :: 2.001 HE2 :: 2.001 HE3 :: 2.001 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 :: 119.345 Ave N Shift Values>> N :: 120.09(3.57) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 I 0.14 K 0.1 Q 0.06 M 0.05 C Shift Assignments>> C :: 176.883 CA :: 58.414 CB :: 29.811 CG :: 36.330 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 :: 8.190 HA :: 4.121 HB2 :: 2.003 HB3 :: 2.003 HG2 :: 2.198 HG3 :: 2.198 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.875 Ave N Shift Values>> N :: 120.67(3.48) 1.M19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.95 A 0.04 C Shift Assignments>> C :: 177.964 CA :: 57.550 CB :: 32.162 CG :: 32.102 CE :: 17.023 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 :: 7.963 HA :: 4.200 HB2 :: 2.117 HB3 :: 2.046 HG2 :: 2.505 HG3 :: 2.638 HE1 :: 2.030 HE2 :: 2.030 HE3 :: 2.030 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 :: 119.142 Ave N Shift Values>> N :: 120.09(3.57) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.09 G 0.01 HN Overlap>> 1.W103 1.W103 C Shift Assignments>> C :: 178.430 CA :: 56.978 CB :: 42.252 CG :: 26.891 CD1 :: 25.394 CD2 :: 23.311 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 :: 8.034 HA :: 4.193 HB2 :: 1.860 HB3 :: 1.476 HG :: 1.708 HD11 :: 0.832 HD12 :: 0.832 HD13 :: 0.832 HD21 :: 0.854 HD22 :: 0.854 HD23 :: 0.854 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 :: 121.295 Ave N Shift Values>> N :: 121.86(3.9) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.36 E 0.11 R 0.08 M 0.03 I 0.01 C Shift Assignments>> C :: 177.928 CA :: 57.396 CB :: 28.590 CG :: 33.973 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 :: 8.157 HA :: 4.037 HB2 :: 2.120 HB3 :: 1.928 HG2 :: 2.502 HG3 :: 2.215 HE21 :: 7.622 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 :: 118.077 NE2 :: 111.873 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.78 G 0.12 K 0.08 C Shift Assignments>> C :: 178.223 CA :: 57.610 CB :: 30.597 CG :: 27.348 CD :: 43.459 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 :: 7.939 HA :: 4.086 HB2 :: 1.794 HB3 :: 1.794 HG2 :: 1.658 HG3 :: 1.535 HD2 :: 3.132 HD3 :: 3.132 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 :: 119.729 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.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 Q 0.16 K 0.13 M 0.13 I 0.04 C Shift Assignments>> C :: 176.858 CA :: 57.172 CB :: 30.144 CG :: 35.763 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 :: 7.950 HA :: 4.083 HB2 :: 1.795 HB3 :: 1.795 HG2 :: 1.981 HG3 :: 1.908 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.302 Ave N Shift Values>> N :: 120.67(3.48) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.685 CA :: 58.621 CB :: 38.578 CD1 :: 132.980 CD2 :: 132.980 CE1 :: 118.071 CE2 :: 118.071 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.087 HA :: 4.315 HB2 :: 2.895 HB3 :: 2.791 HD1 :: 7.074 HD2 :: 7.074 HE1 :: 6.701 HE2 :: 6.701 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.678 Ave N Shift Values>> N :: 120.52(4.2) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.134 CA :: 58.413 CB :: 64.876 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.403 HA :: 4.133 HB2 :: 4.022 HB3 :: 3.847 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.556 Ave N Shift Values>> N :: 116.28(3.52) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.498 CA :: 59.488 CB :: 72.209 CG2 :: 22.829 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 :: 7.753 HA :: 4.430 HB :: 4.215 HG21 :: 1.162 HG22 :: 1.162 HG23 :: 1.162 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 :: 104.093 Ave N Shift Values>> N :: 115.42(4.75) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 G 0.27 R 0.11 K 0.01 C Shift Assignments>> C :: 175.890 CA :: 56.060 CB :: 43.838 CD1 :: 26.220 CD2 :: 26.014 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.148 HA :: 4.249 HB2 :: 1.670 HB3 :: 1.158 HD11 :: 0.750 HD12 :: 0.750 HD13 :: 0.750 HD21 :: 0.897 HD22 :: 0.897 HD23 :: 0.897 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 :: 119.999 Ave N Shift Values>> N :: 121.86(3.9) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.22 K 0.09 C Shift Assignments>> C :: 176.070 CA :: 56.669 CB :: 32.647 CG :: 26.623 CD :: 43.794 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.619 HA :: 4.445 HB2 :: 1.556 HB3 :: 1.446 HG2 :: 1.564 HG3 :: 1.421 HD2 :: 3.145 HD3 :: 3.084 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 123.653 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.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.729 CA :: 57.620 CB :: 64.918 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.994 HA :: 4.528 HB2 :: 3.731 HB3 :: 3.555 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.229 Ave N Shift Values>> N :: 116.28(3.52) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.890 CA :: 60.933 CB :: 34.762 CG1 :: 20.464 CG2 :: 23.077 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 :: 8.245 HA :: 4.941 HB :: 1.586 HG11 :: 0.252 HG12 :: 0.252 HG13 :: 0.252 HG21 :: 0.674 HG22 :: 0.674 HG23 :: 0.674 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 :: 122.775 Ave N Shift Values>> N :: 121.14(4.54) 1.Q31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.82 Q 0.15 E 0.01 C Shift Assignments>> C :: 174.131 CA :: 54.359 CB :: 32.865 CG :: 33.242 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 :: 8.341 HA :: 4.566 HB2 :: 1.960 HB3 :: 1.800 HG2 :: 2.141 HG3 :: 2.215 HE21 :: 7.418 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 :: 122.553 NE2 :: 111.730 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 174.519 CA :: 57.485 CB :: 38.922 CD1 :: 133.168 CD2 :: 133.168 CE1 :: 117.341 CE2 :: 117.341 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 :: 9.231 HA :: 4.887 HB2 :: 2.875 HB3 :: 2.697 HD1 :: 6.794 HD2 :: 6.794 HE1 :: 6.319 HE2 :: 6.319 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 :: 124.536 Ave N Shift Values>> N :: 120.52(4.2) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 G 0.22 K 0.03 L 0.01 C Shift Assignments>> CA :: 54.137 CB :: 30.120 CG :: 26.709 CD :: 43.753 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 :: 8.360 HA :: 4.439 HB2 :: 1.712 HB3 :: 1.546 HG2 :: 1.440 HG3 :: 1.378 HD2 :: 3.051 HD3 :: 2.833 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 :: 130.005 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.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 176.483 CA :: 61.518 CB :: 62.613 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 3.616 HB2 :: 3.925 HB3 :: 3.839 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.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.37 K 0.1 Q 0.04 C Shift Assignments>> C :: 177.168 CA :: 59.180 CB :: 28.457 CG :: 36.377 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.379 HA :: 4.039 HB2 :: 1.950 HB3 :: 1.950 HG2 :: 2.263 HG3 :: 2.204 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 :: 121.527 Ave N Shift Values>> N :: 120.67(3.48) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 M 0.47 Q 0.01 C Shift Assignments>> C :: 176.435 CA :: 56.237 CB :: 32.757 CG :: 36.871 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 :: 7.080 HA :: 4.289 HB2 :: 2.002 HB3 :: 1.619 HG2 :: 2.193 HG3 :: 2.086 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 :: 115.940 Ave N Shift Values>> N :: 120.67(3.48) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.07 C Shift Assignments>> C :: 174.303 CA :: 46.016 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.908 HA2 :: 3.965 HA3 :: 3.768 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.087 Ave N Shift Values>> N :: 109.67(3.87) 1.V38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> V 0.68 A 0.29 I 0.01 C Shift Assignments>> C :: 173.629 CA :: 58.127 CB :: 35.509 CG1 :: 21.782 CG2 :: 18.467 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 :: 6.622 HA :: 4.915 HB :: 1.757 HG11 :: 0.713 HG12 :: 0.713 HG13 :: 0.713 HG21 :: 0.574 HG22 :: 0.574 HG23 :: 0.574 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 :: 105.549(S) Ave N Shift Values>> N :: 121.14(4.54) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.355 CA :: 61.503 CB :: 39.072 CG1 :: 29.191 CG2 :: 19.580 CD1 :: 15.099 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.458 HA :: 4.323 HB :: 1.870 HG12 :: 1.863 HG13 :: 0.821 HG21 :: 0.365 HG22 :: 0.365 HG23 :: 0.365 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 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 :: 122.144 Ave N Shift Values>> N :: 121.46(4.28) 1.V40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.702 CA :: 61.243 CB :: 33.244 CG1 :: 21.236 CG2 :: 21.935 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 :: 8.934 HA :: 4.770 HB :: 1.871 HG11 :: 0.769 HG12 :: 0.769 HG13 :: 0.769 HG21 :: 0.737 HG22 :: 0.737 HG23 :: 0.737 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 :: 126.626 Ave N Shift Values>> N :: 121.14(4.54) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 174.170 CA :: 56.064 CB :: 39.031 CD1 :: 132.608 CD2 :: 132.608 CE1 :: 130.657 CE2 :: 130.657 CZ :: 128.301 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 :: 9.605 HA :: 4.852 HB2 :: 3.304 HB3 :: 2.612 HD1 :: 7.257 HD2 :: 7.257 HE1 :: 7.087 HE2 :: 7.087 HZ :: 6.866 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 :: 128.169 Ave N Shift Values>> N :: 120.45(4.18) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.006 CA :: 61.316 CB :: 38.247 CG1 :: 28.390 CG2 :: 17.509 CD1 :: 13.076 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.051 HA :: 4.729 HB :: 1.815 HG12 :: 1.467 HG13 :: 0.882 HG21 :: 0.921 HG22 :: 0.921 HG23 :: 0.921 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 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 :: 123.192 Ave N Shift Values>> N :: 121.46(4.28) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 R 0.22 G 0.03 C Shift Assignments>> C :: 178.810 CA :: 54.590 CB :: 42.395 CG :: 28.618 CD1 :: 25.078 CD2 :: 24.929 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.031 HA :: 5.108 HB2 :: 2.221 HB3 :: 1.708 HG :: 1.668 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 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 :: 128.415 Ave N Shift Values>> N :: 121.86(3.9) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 M 0.47 I 0.02 C Shift Assignments>> C :: 176.981 CA :: 54.489 CB :: 17.978 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.087 HA :: 3.968 HB1 :: 1.364 HB2 :: 1.364 HB3 :: 1.364 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.697 Ave N Shift Values>> N :: 123.23(3.54) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.73 M 0.06 E 0.05 Y 0.04 D 0.04 F 0.03 C Shift Assignments>> C :: 175.729 CA :: 52.068 CB :: 37.016 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.355 HA :: 4.564 HB2 :: 3.252 HB3 :: 2.661 HD21 :: 6.441 HD22 :: 7.365 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 :: 114.155 ND2 :: 106.735 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 F 0.3 D 0.11 I 0.07 N 0.07 L 0.07 E 0.01 C Shift Assignments>> C :: 175.512 CA :: 56.917 CB :: 39.065 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 :: 8.100 HA :: 4.130 HB2 :: 3.176 HB3 :: 2.790 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 :: 111.628 Ave N Shift Values>> N :: 120.65(3.86) 1.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 G 0.21 K 0.05 C Shift Assignments>> C :: 174.209 CA :: 57.292 CB :: 30.762 CG :: 27.613 CD :: 43.885 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 :: 7.703 HA :: 4.133 HB2 :: 1.794 HB3 :: 1.794 HG2 :: 1.653 HG3 :: 1.442 HD2 :: 3.179 HD3 :: 3.068 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.275 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.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 E 0.37 Q 0.02 C Shift Assignments>> C :: 176.225 CA :: 54.347 CB :: 32.524 CG :: 36.376 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 :: 8.308 HA :: 5.281 HB2 :: 1.791 HB3 :: 1.672 HG2 :: 2.222 HG3 :: 1.940 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 :: 120.823 Ave N Shift Values>> N :: 120.67(3.48) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 G 0.26 R 0.09 A 0.01 C Shift Assignments>> C :: 175.439 CA :: 53.785 CB :: 44.054 CG :: 27.673 CD1 :: 25.513 CD2 :: 23.991 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.364 HA :: 4.681 HB2 :: 1.727 HB3 :: 1.555 HG :: 1.602 HD11 :: 0.712 HD12 :: 0.712 HD13 :: 0.712 HD21 :: 0.789 HD22 :: 0.789 HD23 :: 0.789 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 :: 125.107 Ave N Shift Values>> N :: 121.86(3.9) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.46 G 0.01 HN Overlap>> 1.V5 1.V5 C Shift Assignments>> C :: 175.125 CA :: 55.260 CB :: 35.539 CG :: 26.043 CD :: 29.631 CE :: 41.911 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 :: 8.188 HA :: 5.454 HB2 :: 1.613 HB3 :: 1.330 HG2 :: 1.280 HG3 :: 1.166 HD2 :: 1.556 HD3 :: 1.556 HE2 :: 2.850 HE3 :: 2.649 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 :: 121.409 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.73 G 0.26 C Shift Assignments>> C :: 176.043 CA :: 56.966 CB :: 43.776 CD1 :: 131.545 CD2 :: 131.545 CE1 :: 131.675 CE2 :: 131.675 CZ :: 129.351 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 :: 8.847 HA :: 4.974 HB2 :: 3.280 HB3 :: 2.552 HD1 :: 7.186 HD2 :: 7.186 HE1 :: 7.022 HE2 :: 7.022 HZ :: 7.149 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 :: 119.432 Ave N Shift Values>> N :: 120.45(4.18) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 L 0.23 G 0.15 K 0.03 C Shift Assignments>> CA :: 55.616 CB :: 28.313 CG :: 27.315 CD :: 43.598 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.528 HA :: 4.903 HB2 :: 2.135 HB3 :: 1.678 HG2 :: 1.861 HG3 :: 1.861 HD2 :: 3.283 HD3 :: 3.332 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 :: 125.064 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.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.611 CA :: 65.032 CB :: 30.867 CG :: 28.552 CD :: 49.824 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 :: 4.146 HB2 :: 2.014 HB3 :: 2.014 HG2 :: 2.087 HG3 :: 1.601 HD2 :: 3.873 HD3 :: 4.012 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.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 D 0.21 Y 0.19 F 0.19 L 0.09 I 0.02 C Shift Assignments>> C :: 175.841 CA :: 55.185 CB :: 39.184 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 :: 7.948 HA :: 4.702 HB2 :: 2.966 HB3 :: 2.515 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 :: 111.513 Ave N Shift Values>> N :: 120.65(3.86) 1.D55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.26 D 0.14 K 0.12 F 0.07 Y 0.04 G 0.02 HN Overlap>> 1.A58 1.A58 C Shift Assignments>> C :: 175.935 CA :: 55.404 CB :: 42.870 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 :: 8.201 HA :: 4.940 HB2 :: 3.288 HB3 :: 3.034 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 :: 116.732 Ave N Shift Values>> N :: 120.65(3.86) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.85 A 0.09 G 0.04 C Shift Assignments>> C :: 175.248 CA :: 52.687 CB :: 42.559 CG :: 26.691 CD1 :: 24.042 CD2 :: 23.002 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 :: 7.220 HA :: 4.636 HB2 :: 2.211 HB3 :: 1.046 HG :: 1.245 HD11 :: 0.563 HD12 :: 0.563 HD13 :: 0.563 HD21 :: 0.100 HD22 :: 0.100 HD23 :: 0.100 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 :: 118.239 Ave N Shift Values>> N :: 121.86(3.9) 1.Q57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.4 R 0.36 Q 0.13 M 0.05 P 0.02 C Shift Assignments>> CA :: 59.107 CB :: 28.159 CG :: 31.891 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 :: 7.214 HA :: 2.151(S) HB2 :: 1.240 HB3 :: 0.068(S) HG2 :: 1.708 HG3 :: 0.608(S) HE21 :: 7.208 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 124.612 NE2 :: 109.665 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.14 L 0.06 V 0.01 HN Overlap>> 1.D55 1.D55 C Shift Assignments>> C :: 177.612 CA :: 54.433 CB :: 20.052 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.306 HA :: 3.592 HB1 :: 0.928 HB2 :: 0.928 HB3 :: 0.928 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.752 Ave N Shift Values>> N :: 123.23(3.54) 1.T59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> T 0.94 S 0.04 C Shift Assignments>> C :: 173.265 CA :: 59.886 CB :: 68.111 CG2 :: 19.939 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 :: 6.395 HA :: 3.734 HB :: 3.962 HG21 :: -0.209(S) HG22 :: -0.209(S) HG23 :: -0.209(S) 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 :: 99.630(S) Ave N Shift Values>> N :: 115.42(4.75) 1.Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 178.019 CA :: 60.827 CB :: 37.813 CD1 :: 133.724 CD2 :: 133.724 CE1 :: 118.264 CE2 :: 118.264 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 :: 7.089 HA :: 4.115 HB2 :: 3.132 HB3 :: 2.799 HD1 :: 7.329 HD2 :: 7.329 HE1 :: 6.914 HE2 :: 6.914 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 :: 124.377 Ave N Shift Values>> N :: 120.52(4.2) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.14 R 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.325 CA :: 45.000 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.751 HA2 :: 3.771 HA3 :: 3.361 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.169 Ave N Shift Values>> N :: 109.67(3.87) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.03 L 0.03 C Shift Assignments>> C :: 177.761 CA :: 52.177 CB :: 20.267 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.104 HA :: 4.298 HB1 :: 1.112 HB2 :: 1.112 HB3 :: 1.112 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.335 Ave N Shift Values>> N :: 123.23(3.54) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 S 0.04 A 0.01 C Shift Assignments>> CA :: 58.845 CB :: 67.952 CG2 :: 21.938 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 :: 8.206 HA :: 4.522 HB :: 4.537 HG21 :: 1.150 HG22 :: 1.150 HG23 :: 1.150 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 :: 111.934 Ave N Shift Values>> N :: 115.42(4.75) 1.P64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.483 CA :: 65.999 CB :: 31.923 CG :: 28.234 CD :: 49.993 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.427 HB2 :: 2.241 HB3 :: 1.816 HG2 :: 2.185 HG3 :: 1.792 HD2 :: 3.713 HD3 :: 3.801 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.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 E 0.43 K 0.07 Q 0.02 C Shift Assignments>> C :: 178.760 CA :: 59.383 CB :: 28.454 CG :: 36.644 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 :: 8.522 HA :: 3.908 HB2 :: 1.946 HB3 :: 1.946 HG2 :: 2.328 HG3 :: 2.196 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 :: 114.841 Ave N Shift Values>> N :: 120.67(3.48) 1.Q66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 E 0.28 K 0.27 M 0.07 I 0.02 R 0.01 C Shift Assignments>> C :: 175.329 CA :: 57.206 CB :: 29.542 CG :: 34.742 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 :: 7.728 HA :: 4.059 HB2 :: 2.243 HB3 :: 1.925 HG2 :: 2.378 HG3 :: 2.098 HE21 :: 7.328 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 :: 117.742 NE2 :: 110.754 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 A 0.08 G 0.01 R 0.01 C Shift Assignments>> C :: 174.721 CA :: 53.307 CB :: 41.980 CG :: 25.235 CD1 :: 25.787 CD2 :: 23.380 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 :: 7.132 HA :: 4.296 HB2 :: 1.403 HB3 :: 1.216 HG :: 1.287 HD11 :: -0.040 HD12 :: -0.040 HD13 :: -0.040 HD21 :: 0.360 HD22 :: 0.360 HD23 :: 0.360 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 :: 117.570 Ave N Shift Values>> N :: 121.86(3.9) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.74 K 0.13 G 0.12 C Shift Assignments>> C :: 177.100 CA :: 58.094 CB :: 31.556 CG :: 27.438 CD :: 43.453 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 :: 7.214 HA :: 4.191 HB2 :: 1.901 HB3 :: 1.811 HG2 :: 1.801 HG3 :: 1.681 HD2 :: 3.220 HD3 :: 3.220 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 :: 116.991 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.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 Q 0.27 K 0.26 I 0.02 R 0.02 M 0.02 C Shift Assignments>> C :: 174.904 CA :: 55.752 CB :: 28.690 CG :: 35.395 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 :: 7.852 HA :: 4.487 HB2 :: 1.967 HB3 :: 1.967 HG2 :: 2.202 HG3 :: 2.202 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 :: 118.394 Ave N Shift Values>> N :: 120.67(3.48) 1.I70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 G 0.04 C Shift Assignments>> C :: 174.815 CA :: 60.153 CB :: 42.252 CG1 :: 26.419 CG2 :: 18.600 CD1 :: 14.445 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 :: 7.957 HA :: 4.508 HB :: 1.325 HG12 :: 1.246 HG13 :: 0.613 HG21 :: 0.118 HG22 :: 0.118 HG23 :: 0.118 HD11 :: 0.635 HD12 :: 0.635 HD13 :: 0.635 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 :: 125.545 Ave N Shift Values>> N :: 121.46(4.28) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 E 0.29 Q 0.05 C Shift Assignments>> C :: 175.775 CA :: 54.724 CB :: 32.946 CG :: 35.813 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 :: 8.778 HA :: 4.692 HB2 :: 2.042 HB3 :: 2.042 HG2 :: 2.203 HG3 :: 2.053 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 :: 126.240 Ave N Shift Values>> N :: 120.67(3.48) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.825 CA :: 61.763 CB :: 38.256 CG1 :: 28.809 CG2 :: 17.673 CD1 :: 13.450 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.013 HA :: 4.208 HB :: 1.671 HG12 :: 1.629 HG13 :: 0.696 HG21 :: 1.167 HG22 :: 1.167 HG23 :: 1.167 HD11 :: 0.687 HD12 :: 0.687 HD13 :: 0.687 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 :: 129.755 Ave N Shift Values>> N :: 121.46(4.28) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.766 CB :: 62.669 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.586 HA :: 4.521 HB2 :: 4.148 HB3 :: 3.722 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 :: 125.865 Ave N Shift Values>> N :: 116.28(3.52) 1.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.861 CA :: 65.658 CB :: 31.733 CG :: 27.830 CD :: 50.653 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 :: 4.309 HB2 :: 2.382 HB3 :: 1.915 HG2 :: 2.112 HG3 :: 2.031 HD2 :: 3.803 HD3 :: 3.907 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.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.703 CA :: 58.685 CB :: 64.358 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.893 HA :: 4.211 HB2 :: 3.917 HB3 :: 3.917 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 :: 109.127 Ave N Shift Values>> N :: 116.28(3.52) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.08 C Shift Assignments>> C :: 174.359 CA :: 45.558 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.418 HA2 :: 4.276 HA3 :: 3.670 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.752 Ave N Shift Values>> N :: 109.67(3.87) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.06 A 0.03 G 0.01 C Shift Assignments>> C :: 176.209 CA :: 54.378 CB :: 42.125 CG :: 26.477 CD1 :: 26.039 CD2 :: 23.530 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 :: 7.499 HA :: 4.552 HB2 :: 1.608 HB3 :: 1.608 HG :: 1.474 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 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 :: 115.627 Ave N Shift Values>> N :: 121.86(3.9) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.14 R 0.03 F 0.01 C Shift Assignments>> C :: 170.501 CA :: 45.050 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.647 HA2 :: 4.601 HA3 :: 4.045 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.480 Ave N Shift Values>> N :: 109.67(3.87) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.S100 1.S100 C Shift Assignments>> C :: 171.397 CA :: 59.293 CB :: 34.536 CG1 :: 21.455 CG2 :: 22.452 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 :: 8.683 HA :: 4.752 HB :: 1.744 HG11 :: 0.692 HG12 :: 0.692 HG13 :: 0.692 HG21 :: 0.488 HG22 :: 0.488 HG23 :: 0.488 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 :: 116.911 Ave N Shift Values>> N :: 121.14(4.54) 1.Y80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.006 CA :: 55.493 CB :: 41.026 CD1 :: 133.192 CD2 :: 133.192 CE1 :: 117.499 CE2 :: 117.499 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.830 HA :: 5.161 HB2 :: 2.892 HB3 :: 2.826 HD1 :: 6.868 HD2 :: 6.868 HE1 :: 6.559 HE2 :: 6.559 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 :: 126.853 Ave N Shift Values>> N :: 120.52(4.2) 1.F81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.311 CA :: 57.116 CB :: 38.413 CD1 :: 131.990 CD2 :: 131.990 CE1 :: 130.512 CE2 :: 130.512 CZ :: 127.489 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 :: 8.680 HA :: 4.470 HB2 :: 3.113 HB3 :: 2.775 HD1 :: 6.984 HD2 :: 6.984 HE1 :: 6.860 HE2 :: 6.860 HZ :: 6.755 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 :: 126.963 Ave N Shift Values>> N :: 120.45(4.18) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 I 0.14 M 0.1 Q 0.07 K 0.07 C Shift Assignments>> C :: 178.206 CA :: 59.660 CB :: 30.452 CG :: 35.923 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 :: 7.466 HA :: 3.582 HB2 :: 1.901 HB3 :: 1.901 HG2 :: 2.169 HG3 :: 2.169 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 :: 124.087 Ave N Shift Values>> N :: 120.67(3.48) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.706 CA :: 65.351 CB :: 68.085 CG2 :: 23.764 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.023 HA :: 3.987 HB :: 4.209 HG21 :: 1.317 HG22 :: 1.317 HG23 :: 1.317 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.091 Ave N Shift Values>> N :: 115.42(4.75) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 A 0.18 R 0.04 G 0.01 C Shift Assignments>> C :: 175.527 CA :: 54.419 CB :: 42.208 CG :: 26.393 CD1 :: 25.665 CD2 :: 22.070 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 :: 6.473 HA :: 4.131 HB2 :: 1.467 HB3 :: 1.467 HG :: 1.476 HD11 :: 0.451 HD12 :: 0.451 HD13 :: 0.451 HD21 :: 0.647 HD22 :: 0.647 HD23 :: 0.647 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 :: 116.818 Ave N Shift Values>> N :: 121.86(3.9) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.43 E 0.43 L 0.05 K 0.04 Q 0.02 R 0.01 C Shift Assignments>> C :: 175.010 CA :: 57.064 CB :: 26.953 CG :: 37.004 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 :: 7.848 HA :: 3.622 HB2 :: 2.094 HB3 :: 2.265 HG2 :: 2.205 HG3 :: 2.094 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 :: 114.551 Ave N Shift Values>> N :: 120.67(3.48) 1.E86 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.87 Q 0.11 E 0.01 C Shift Assignments>> C :: 174.095 CA :: 54.406 CB :: 34.491 CG :: 33.733 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 :: 6.636 HA :: 4.768 HB2 :: 1.871 HB3 :: 1.238 HG2 :: 2.428 HG3 :: 2.116 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 :: 114.682 Ave N Shift Values>> N :: 120.67(3.48) SRO Rule Breaks>> (CG > CB : 0.9917) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.29 R 0.13 D 0.09 F 0.01 Y 0.01 C Shift Assignments>> C :: 175.722 CA :: 52.907 CB :: 44.193 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 :: 8.630 HA :: 5.547 HB2 :: 2.584 HB3 :: 2.509 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 :: 121.904 Ave N Shift Values>> N :: 120.65(3.86) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.389 CA :: 61.447 CB :: 35.256 CG1 :: 21.209 CG2 :: 22.104 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 :: 9.051 HA :: 4.191 HB :: 1.943 HG11 :: 0.724 HG12 :: 0.724 HG13 :: 0.724 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 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 :: 121.549 Ave N Shift Values>> N :: 121.14(4.54) 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 :: 175.634 CA :: 56.080 CB :: 64.469 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.503 HA :: 4.745 HB2 :: 4.014 HB3 :: 3.766 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 :: 120.776 Ave N Shift Values>> N :: 116.28(3.52) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 R 0.23 G 0.05 C Shift Assignments>> C :: 177.109 CA :: 57.642 CB :: 42.674 CG :: 26.895 CD1 :: 23.032 CD2 :: 26.006 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 :: 8.799 HA :: 3.798 HB2 :: 1.612 HB3 :: 1.073 HG :: 1.466 HD11 :: 0.758 HD12 :: 0.758 HD13 :: 0.758 HD21 :: 0.902 HD22 :: 0.902 HD23 :: 0.902 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 :: 129.702 Ave N Shift Values>> N :: 121.86(3.9) 1.I91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.553 CA :: 64.550 CB :: 37.084 CG1 :: 28.558 CG2 :: 17.114 CD1 :: 13.047 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 :: 7.464 HA :: 3.198 HB :: 1.437 HG12 :: 1.169 HG13 :: 0.614 HG21 :: 0.555 HG22 :: 0.555 HG23 :: 0.555 HD11 :: 0.620 HD12 :: 0.620 HD13 :: 0.620 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 :: 116.561 Ave N Shift Values>> N :: 121.46(4.28) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 P 0.07 A 0.05 L 0.04 N 0.01 C Shift Assignments>> C :: 176.157 CA :: 47.672 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.314 HA2 :: 3.827 HA3 :: 3.681 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.835 Ave N Shift Values>> N :: 109.67(3.87) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 A 0.01 G 0.01 C Shift Assignments>> C :: 174.204 CA :: 58.032 CB :: 41.703 CG :: 25.600 CD1 :: 24.399 CD2 :: 22.143 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 :: 7.615 HA :: 3.727 HB2 :: 1.663 HB3 :: 1.079 HG :: 1.465 HD11 :: -0.102 HD12 :: -0.102 HD13 :: -0.102 HD21 :: 0.068 HD22 :: 0.068 HD23 :: 0.068 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 :: 120.762 Ave N Shift Values>> N :: 121.86(3.9) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.09 A 0.01 HN Overlap>> 1.S6 1.S6 C Shift Assignments>> C :: 178.947 CA :: 57.332 CB :: 41.391 CG :: 26.897 CD1 :: 26.800 CD2 :: 23.025 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 :: 8.317 HA :: 4.015 HB2 :: 1.930 HB3 :: 1.482 HG :: 1.717 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 HD21 :: 0.839 HD22 :: 0.839 HD23 :: 0.839 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 :: 119.880 Ave N Shift Values>> N :: 121.86(3.9) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.65 K 0.13 M 0.07 Q 0.07 I 0.05 C Shift Assignments>> C :: 176.559 CA :: 56.089 CB :: 29.663 CG :: 36.454 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 :: 7.738 HA :: 4.384 HB2 :: 2.044 HB3 :: 2.236 HG2 :: 2.524 HG3 :: 2.274 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 :: 117.117 Ave N Shift Values>> N :: 120.67(3.48) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 C Shift Assignments>> C :: 174.742 CA :: 45.733 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.722 HA2 :: 4.236 HA3 :: 3.752 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.323 Ave N Shift Values>> N :: 109.67(3.87) 1.R97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 L 0.1 G 0.1 K 0.04 C Shift Assignments>> C :: 174.894 CA :: 55.877 CB :: 28.806 CG :: 27.707 CD :: 43.281 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 :: 8.717 HA :: 4.322 HB2 :: 1.643 HB3 :: 1.643 HG2 :: 1.544 HG3 :: 1.434 HD2 :: 3.087 HD3 :: 3.087 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 :: 122.473 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.R98 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.49 K 0.42 G 0.07 C Shift Assignments>> C :: 175.018 CA :: 56.621 CB :: 31.248 CG :: 29.125 CD :: 43.141 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 :: 7.999 HA :: 3.921 HB2 :: 1.534 HB3 :: 2.763(S) HG2 :: 1.615 HG3 :: 1.141 HD2 :: 3.779 HD3 :: 3.595 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 :: 125.256 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.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 171.528 CA :: 45.495 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.684 HA2 :: 3.902 HA3 :: 3.902 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.916 Ave N Shift Values>> N :: 109.67(3.87) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V79 1.V79 C Shift Assignments>> CA :: 58.114 CB :: 64.391 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.646 HA :: 4.419 HB2 :: 4.108 HB3 :: 4.420 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 :: 116.809 Ave N Shift Values>> N :: 116.28(3.52) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.7 A 0.18 I 0.1 C Shift Assignments>> C :: 181.335 CA :: 56.234 CB :: 17.772 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.020 HB1 :: 1.459 HB2 :: 1.459 HB3 :: 1.459 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 R 0.12 G 0.01 C Shift Assignments>> C :: 177.978 CA :: 59.169 CB :: 32.751 CG :: 24.762 CD :: 29.357 CE :: 42.110 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 :: 8.543 HA :: 3.979 HB2 :: 1.826 HB3 :: 1.689 HG2 :: 1.398 HG3 :: 1.301 HD2 :: 1.650 HD3 :: 1.624 HE2 :: 2.947 HE3 :: 2.947 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 :: 119.022 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.L20 1.L20 C Shift Assignments>> C :: 181.021 CA :: 62.775 CB :: 29.069 CD1 :: 127.212 CE3 :: 118.379 CZ2 :: 114.304 CZ3 :: 121.776 CH2 :: 124.800 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.089 HA :: 4.036 HB2 :: 3.125 HB3 :: 3.080 HD1 :: 7.018 HE1 :: 9.086 HE3 :: 6.803 HZ2 :: 6.476 HZ3 :: 6.685 HH2 :: 6.678 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.319 NE1 :: 129.285 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.M104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.99 C Shift Assignments>> C :: 178.325 CA :: 60.650 CB :: 33.268 CG :: 32.912 CE :: 15.910 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 :: 9.180 HA :: 3.644 HB2 :: 2.067 HB3 :: 2.339 HG2 :: 2.941 HG3 :: 2.214 HE1 :: 2.298 HE2 :: 2.298 HE3 :: 2.298 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 :: 117.096 Ave N Shift Values>> N :: 120.09(3.57) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.45 I 0.02 C Shift Assignments>> C :: 179.136 CA :: 54.605 CB :: 17.870 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.659 HA :: 3.948 HB1 :: 1.426 HB2 :: 1.426 HB3 :: 1.426 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.951 Ave N Shift Values>> N :: 123.23(3.54) 1.E106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 M 0.19 Q 0.07 K 0.07 I 0.02 C Shift Assignments>> C :: 174.911 CA :: 55.883 CB :: 30.476 CG :: 36.323 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 :: 6.969 HA :: 3.906 HB2 :: 1.513 HB3 :: 1.513 HG2 :: 2.190 HG3 :: 1.910 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 :: 114.241 Ave N Shift Values>> N :: 120.67(3.48) 1.H107 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.59 H 0.39 C Shift Assignments>> CA :: 53.158 CB :: 26.649 CD2 :: 119.178 CE1 :: 134.424 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.064 HA :: 4.435 HB2 :: 2.411 HB3 :: 1.173(S) HD2 :: 6.147 HE1 :: 7.911 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 :: 117.066 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.899 CA :: 62.878 CB :: 32.352 CG :: 26.852 CD :: 50.220 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 :: 4.342 HB2 :: 2.209 HB3 :: 1.860 HG2 :: 1.807 HG3 :: 1.807 HD2 :: 3.315 HD3 :: 3.044 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.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.86 R 0.07 G 0.05 A 0.01 C Shift Assignments>> C :: 176.976 CA :: 55.074 CB :: 42.849 CG :: 27.041 CD1 :: 24.954 CD2 :: 24.143 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 :: 8.467 HA :: 4.315 HB2 :: 1.658 HB3 :: 1.528 HG :: 1.647 HD11 :: 1.060 HD12 :: 1.060 HD13 :: 1.060 HD21 :: 1.014 HD22 :: 1.014 HD23 :: 1.014 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.868 Ave N Shift Values>> N :: 121.86(3.9) 1.A110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> C :: 176.868 CA :: 52.539 CB :: 19.280 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.637 HA :: 4.335 HB1 :: 1.398 HB2 :: 1.398 HB3 :: 1.398 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.482 Ave N Shift Values>> N :: 123.23(3.54) 1.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 59.865 CB :: 64.896 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.888 HA :: 4.214 HB2 :: 3.803 HB3 :: 3.803 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 :: 121.137 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 105 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 109 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 110 #Suspicious: 1 C Shift Results: #Consistent: 479 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 757 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 107 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.V38 N = 105.549(S), Expected = 121.14, Std = 4.5400, ChiSquare = 5.9443e-04 1.Q57 HA = 2.151(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.4653e-06 1.Q57 HB3 = 0.068(S), Expected = 2.02, Std = 0.2800, ChiSquare = 3.1374e-12 1.Q57 HG3 = 0.608(S), Expected = 2.29, Std = 0.2900, ChiSquare = 6.6315e-09 1.T59 HG21 = -0.209(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.4854e-09 1.T59 HG22 = -0.209(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.4854e-09 1.T59 HG23 = -0.209(S), Expected = 1.14, Std = 0.2300, ChiSquare = 4.4854e-09 1.T59 N = 99.630(S), Expected = 115.42, Std = 4.7500, ChiSquare = 8.8669e-04 1.E86 SRO Rule Break>> CG > CB : 0.99165623696287 1.R98 HB3 = 2.763(S), Expected = 1.76, Std = 0.2800, ChiSquare = 3.4079e-04 1.H107 HB3 = 1.173(S), Expected = 3.04, Std = 0.3800, ChiSquare = 8.9621e-07