Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.2 C 0.18 K 0.18 Q 0.17 R 0.06 H 0.06 W 0.06 E 0.03 V 0.01 C Shift Assignments>> C :: 175.411 CA :: 55.650 CB :: 33.211 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.510 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.2 C 0.03 L 0.02 HN Overlap>> 1.E88 1.E88 C Shift Assignments>> C :: 177.148 CA :: 52.614 CB :: 19.875 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.306 HA :: 4.534 HB1 :: 1.462 HB2 :: 1.462 HB3 :: 1.462 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.052 Ave N Shift Values>> N :: 123.23(3.7) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.36 M 0.15 K 0.03 I 0.03 Q 0.02 C Shift Assignments>> C :: 175.826 CA :: 56.539 CB :: 31.058 CG :: 36.419 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.442 HA :: 4.470 HB2 :: 2.082 HB3 :: 2.183 HG2 :: 2.348 HG3 :: 2.348 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.338 Ave N Shift Values>> N :: 120.68(3.68) 1.C4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 C 0.12 Q 0.12 K 0.12 H 0.11 R 0.1 I 0.05 M 0.03 V 0.01 HN Overlap>> 1.E85 1.E85 C Shift Assignments>> C :: 174.405 CA :: 58.215 CB :: 29.404 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.367 HA :: 5.333 HB2 :: 2.822 HB3 :: 2.822 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.066 Ave N Shift Values>> N :: 119.95(4.79) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 174.004 CA :: 60.046 CB :: 35.050 CG1 :: 20.769 CG2 :: 21.628 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.162 HA :: 4.594 HB :: 2.086 HG11 :: 0.921 HG12 :: 0.921 HG13 :: 0.921 HG21 :: 0.944 HG22 :: 0.944 HG23 :: 0.944 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.929 Ave N Shift Values>> N :: 121.02(4.96) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.925 CA :: 56.377 CB :: 64.608 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.595 HA :: 5.813 HB2 :: 3.778 HB3 :: 3.778 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.199 Ave N Shift Values>> N :: 116.3(3.95) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 N 0.07 Q 0.05 E 0.01 C Shift Assignments>> C :: 173.310 CA :: 54.549 CB :: 33.245 CG :: 34.038 CD :: 177.291 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.961 HA :: 4.526 HB2 :: 1.471 HB3 :: 1.471 HG2 :: 2.024 HG3 :: 2.024 HE21 :: 8.547 HE22 :: 7.232 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 126.308 NE2 :: 118.089 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 M 0.14 C 0.03 L 0.02 C Shift Assignments>> C :: 177.954 CA :: 51.713 CB :: 20.177 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.623 HA :: 5.529 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 132.524 Ave N Shift Values>> N :: 123.23(3.7) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 G 0.24 I 0.2 C Shift Assignments>> C :: 172.041 CA :: 60.782 CB :: 43.539 CG1 :: 28.977 CG2 :: 16.006 CD1 :: 15.218 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.202 HA :: 4.473 HB :: 1.598 HG12 :: 1.669 HG13 :: 1.571 HG21 :: 0.742 HG22 :: 0.742 HG23 :: 0.742 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.825 Ave N Shift Values>> N :: 121.6(4.72) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.26 C 0.11 D 0.09 K 0.07 G 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 178.575 CA :: 55.093 CB :: 43.362 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.865 HA :: 4.809 HB2 :: 2.878 HB3 :: 2.676 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.237 Ave N Shift Values>> N :: 120.73(4.2) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 I 0.34 V 0.01 C Shift Assignments>> C :: 174.249 CA :: 61.052 CB :: 40.121 CG1 :: 28.424 CG2 :: 20.526 CD1 :: 16.427 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.586 HA :: 4.135 HB :: 1.975 HG12 :: 1.977 HG13 :: 1.610 HG21 :: 1.182 HG22 :: 1.182 HG23 :: 1.182 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.141 Ave N Shift Values>> N :: 121.6(4.72) 1.N12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.47 N 0.3 C 0.21 C Shift Assignments>> C :: 175.407 CA :: 54.262 CB :: 40.122 CG :: 177.869 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.861 HA :: 5.066 HB2 :: 2.715 HB3 :: 2.984 HD21 :: 8.023 HD22 :: 6.629 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.115 ND2 :: 115.626 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 C 0.15 M 0.14 R 0.14 W 0.1 Q 0.09 K 0.08 E 0.08 C Shift Assignments>> CA :: 54.231 CB :: 30.967 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.695 HA :: 4.878 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.608 Ave N Shift Values>> N :: 120.68(3.68) 1.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.14 C Shift Assignments>> C :: 178.680 CA :: 63.862 CB :: 31.500 CG :: 28.302 CD :: 50.153 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.588 HB2 :: 2.160 HB3 :: 2.007 HG2 :: 2.257 HG3 :: 1.999 HD2 :: 3.927 HD3 :: 3.713 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 I 0.17 M 0.01 C Shift Assignments>> C :: 176.517 CA :: 59.703 CB :: 39.600 CG1 :: 30.279 CG2 :: 21.135 CD1 :: 14.824 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.389 HA :: 4.340 HB :: 1.900 HG12 :: 1.592 HG13 :: 1.361 HG21 :: 1.162 HG22 :: 1.162 HG23 :: 1.162 HD11 :: 1.184 HD12 :: 1.184 HD13 :: 1.184 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.120 Ave N Shift Values>> N :: 121.6(4.72) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 176.813 CA :: 47.114 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.674 HA2 :: 4.138 HA3 :: 3.816 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.805 Ave N Shift Values>> N :: 109.91(4.29) 1.N17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 N 0.37 D 0.04 C Shift Assignments>> C :: 177.218 CA :: 55.334 CB :: 36.690 CG :: 176.164 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.526 HA :: 4.532 HB2 :: 3.136 HB3 :: 3.018 HD21 :: 9.149(S) HD22 :: 7.135 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.237 ND2 :: 111.440 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.29 G 0.12 R 0.08 C Shift Assignments>> C :: 178.360 CA :: 57.924 CB :: 43.620 CG :: 26.746 CD1 :: 25.464 CD2 :: 23.700 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.638 HA :: 4.004 HB2 :: 1.897 HB3 :: 1.750 HG :: 1.633 HD11 :: 0.854 HD12 :: 0.854 HD13 :: 0.854 HD21 :: 0.900 HD22 :: 0.900 HD23 :: 0.900 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.393 Ave N Shift Values>> N :: 121.98(4.07) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.42 G 0.08 K 0.05 C Shift Assignments>> C :: 177.641 CA :: 60.926 CB :: 32.704 CG :: 27.725 CD :: 29.907 CE :: 43.068 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.526 HA :: 3.743 HB2 :: 1.905 HB3 :: 1.826 HG2 :: 1.586 HG3 :: 1.150 HD2 :: 1.959 HD3 :: 1.959 HE2 :: 3.039 HE3 :: 3.039 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 114.125 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.35 R 0.23 M 0.02 C Shift Assignments>> C :: 179.338 CA :: 58.072 CB :: 31.983 CG :: 25.175 CD :: 28.889 CE :: 42.050 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.013 HA :: 4.179 HB2 :: 2.031 HB3 :: 1.970 HG2 :: 1.586 HG3 :: 1.586 HD2 :: 1.733 HD3 :: 1.733 HE2 :: 3.063 HE3 :: 3.063 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.108 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.37 R 0.1 A 0.02 G 0.02 C Shift Assignments>> C :: 178.968 CA :: 56.971 CB :: 42.418 CG :: 26.599 CD1 :: 22.099 CD2 :: 25.483 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.548 HA :: 4.236 HB2 :: 1.832 HB3 :: 1.431 HG :: 1.867 HD11 :: 0.990 HD12 :: 0.990 HD13 :: 0.990 HD21 :: 1.015 HD22 :: 1.015 HD23 :: 1.015 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.351 Ave N Shift Values>> N :: 121.98(4.07) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 C 0.32 G 0.13 K 0.09 R 0.02 C Shift Assignments>> C :: 178.518 CA :: 56.153 CB :: 43.537 CD1 :: 23.688 CD2 :: 26.547 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.719 HA :: 4.324 HB2 :: 1.802 HB3 :: 1.303 HD11 :: 0.848 HD12 :: 0.848 HD13 :: 0.848 HD21 :: 0.741 HD22 :: 0.741 HD23 :: 0.741 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 114.790 Ave N Shift Values>> N :: 121.98(4.07) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 P 0.33 C 0.09 W 0.04 R 0.02 V 0.02 E 0.01 K 0.01 C Shift Assignments>> CA :: 62.702 CB :: 28.011 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.113 HA :: 4.160 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.957 Ave N Shift Values>> N :: 120.68(3.68) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 178.397 CA :: 65.369 CB :: 31.144 CG :: 28.198 CD :: 50.754 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.514 HB2 :: 2.444 HB3 :: 1.943 HG2 :: 2.116 HG3 :: 2.116 HD2 :: 3.736 HD3 :: 3.736 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.R25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 K 0.16 Q 0.02 M 0.01 C Shift Assignments>> C :: 177.656 CA :: 57.953 CB :: 30.956 CG :: 26.882 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.071 HA :: 4.341 HB2 :: 1.983 HB3 :: 2.124 HG2 :: 1.970 HG3 :: 1.801 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 115.416 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 L 0.3 R 0.26 A 0.06 G 0.05 C Shift Assignments>> C :: 176.800 CA :: 55.181 CB :: 42.868 CG :: 27.491 CD1 :: 22.413 CD2 :: 26.690 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.144 HA :: 4.377 HB2 :: 1.659 HB3 :: 1.773 HG :: 1.782 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 HD21 :: 0.883 HD22 :: 0.883 HD23 :: 0.883 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.774 Ave N Shift Values>> N :: 121.98(4.07) 1.Q27 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 Q 0.21 E 0.12 C Shift Assignments>> C :: 174.303 CA :: 56.570 CB :: 26.056 CG :: 34.377 CD :: 181.322(A) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.386 HA :: 3.944 HB2 :: 2.275 HB3 :: 2.275 HG2 :: 2.277 HG3 :: 2.277 HE21 :: 7.636 HE22 :: 6.849 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.310 NE2 :: 112.845 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 C 0.13 W 0.12 M 0.11 E 0.11 Q 0.1 K 0.08 C Shift Assignments>> C :: 171.849 CA :: 55.426 CB :: 30.795 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.471 HA :: 4.853 HB2 :: 2.867 HB3 :: 3.106 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 111.902 Ave N Shift Values>> N :: 119.95(4.79) 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 :: 176.985 CA :: 57.589 CB :: 63.746 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.315 HA :: 4.533 HB2 :: 3.992 HB3 :: 3.875 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.445 Ave N Shift Values>> N :: 116.3(3.95) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.4 C 0.33 R 0.12 L 0.11 C Shift Assignments>> C :: 177.819 CA :: 53.728 CB :: 41.586 CG :: 26.357 CD1 :: 21.320 CD2 :: 27.520 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.840 HA :: 4.915 HB2 :: 1.587 HB3 :: 1.464 HD11 :: 0.041 HD12 :: 0.041 HD13 :: 0.041 HD21 :: 0.881 HD22 :: 0.881 HD23 :: 0.881 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.111 Ave N Shift Values>> N :: 121.98(4.07) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.19 Y 0.16 C 0.14 L 0.1 R 0.06 I 0.06 D 0.04 C Shift Assignments>> C :: 177.323 CA :: 58.454 CB :: 41.353 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.854 HA :: 4.262 HB2 :: 2.694 HB3 :: 2.694 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.209 Ave N Shift Values>> N :: 120.73(4.2) 1.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 177.882 CA :: 52.565 CB :: 19.087 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.733 HA :: 4.388 HB1 :: 1.436 HB2 :: 1.436 HB3 :: 1.436 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.032 Ave N Shift Values>> N :: 123.23(3.7) 1.H33 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.49 H 0.33 W 0.17 C Shift Assignments>> C :: 176.453 CA :: 58.938 CB :: 31.139 CD2 :: 117.365 CE1 :: 139.544 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.988 HA :: 3.987 HB2 :: 2.704 HB3 :: 3.015 HD2 :: 6.620 HE2 :: 7.740 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.091 ND1 :: 166.888 NE2 :: 249.473(A) Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.32 M 0.22 Q 0.04 K 0.03 I 0.01 C Shift Assignments>> C :: 175.489 CA :: 55.675 CB :: 31.406 CG :: 36.010 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.030 HA :: 4.515 HB2 :: 2.103 HB3 :: 1.986 HG2 :: 2.406 HG3 :: 2.406 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.242 Ave N Shift Values>> N :: 120.68(3.68) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.028 CA :: 61.354 CB :: 39.270 CG1 :: 28.164 CG2 :: 18.609 CD1 :: 15.769 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.391 HA :: 4.964 HB :: 1.675 HG12 :: 1.917 HG13 :: 1.917 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 HD11 :: 1.010 HD12 :: 1.010 HD13 :: 1.010 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.889 Ave N Shift Values>> N :: 121.6(4.72) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.17 C 0.16 R 0.1 Q 0.09 H 0.09 W 0.08 E 0.06 V 0.02 C Shift Assignments>> C :: 172.516 CA :: 56.230 CB :: 32.516 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.063 HA :: 5.454 HB2 :: 3.030 HB3 :: 2.451 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 123.437 Ave N Shift Values>> N :: 119.95(4.79) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 G 0.34 C 0.2 R 0.06 A 0.01 C Shift Assignments>> C :: 175.637 CA :: 53.988 CB :: 44.679 CG :: 27.835 CD1 :: 25.667 CD2 :: 24.033 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.202 HA :: 4.910 HB2 :: 1.959 HB3 :: 1.207 HG :: 1.463 HD11 :: 0.687 HD12 :: 0.687 HD13 :: 0.687 HD21 :: 0.804 HD22 :: 0.804 HD23 :: 0.804 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.022 Ave N Shift Values>> N :: 121.98(4.07) 1.Q38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Q 0.31 E 0.12 C Shift Assignments>> C :: 174.999 CA :: 58.132 CB :: 26.540 CG :: 34.182 CD :: 180.652 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.373 HA :: 3.808 HB2 :: 2.204 HB3 :: 2.289 HG2 :: 2.502 HG3 :: 2.502 HE21 :: 7.493 HE22 :: 6.864 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.914 NE2 :: 110.856 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.2 C 0.16 L 0.11 D 0.11 K 0.08 I 0.04 N 0.02 R 0.01 C Shift Assignments>> C :: 175.263 CA :: 57.179 CB :: 40.371 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.891 HA :: 4.111 HB2 :: 3.137 HB3 :: 2.905 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 109.718 Ave N Shift Values>> N :: 120.73(4.2) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 176.013 CA :: 60.066 CB :: 37.656 CG1 :: 27.077 CG2 :: 17.242 CD1 :: 11.342 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.973 HA :: 4.297 HB :: 2.243 HG12 :: 1.623 HG13 :: 1.429 HG21 :: 1.015 HG22 :: 1.015 HG23 :: 1.015 HD11 :: 0.938 HD12 :: 0.938 HD13 :: 0.938 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.694 Ave N Shift Values>> N :: 121.6(4.72) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.34 E 0.27 C Shift Assignments>> C :: 175.747 CA :: 58.086 CB :: 29.342 CG :: 34.406 CD :: 180.330 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.740 HA :: 4.522 HB2 :: 2.087 HB3 :: 2.087 HG2 :: 2.493 HG3 :: 2.493 HE21 :: 7.770 HE22 :: 6.826 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 128.272 NE2 :: 112.095 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 A 0.22 C 0.22 R 0.13 L 0.07 C Shift Assignments>> C :: 176.010 CA :: 53.138 CB :: 44.230 CG :: 26.642 CD1 :: 21.806 CD2 :: 27.757 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.983 HA :: 4.599 HB2 :: 1.529 HB3 :: 1.258 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 HD21 :: 0.792 HD22 :: 0.792 HD23 :: 0.792 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.870 Ave N Shift Values>> N :: 121.98(4.07) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.17 C 0.16 N 0.14 K 0.05 R 0.04 G 0.04 F 0.02 Y 0.02 C Shift Assignments>> CA :: 50.633 CB :: 41.989 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.233 HA :: 5.000 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.450 Ave N Shift Values>> N :: 120.73(4.2) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.028 CA :: 63.633 CB :: 32.635 CG :: 27.203 CD :: 51.205 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.338 HB2 :: 2.220 HB3 :: 2.220 HG2 :: 2.165 HG3 :: 2.165 HD2 :: 4.174 HD3 :: 4.174 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 L 0.2 K 0.16 C 0.11 F 0.1 Y 0.08 N 0.05 R 0.04 C Shift Assignments>> C :: 175.897 CA :: 55.091 CB :: 41.315 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.506 HA :: 4.803 HB2 :: 2.763 HB3 :: 2.903 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.235 Ave N Shift Values>> N :: 120.73(4.2) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.36 R 0.07 K 0.04 HN Overlap>> 1.M71 1.M71 C Shift Assignments>> C :: 176.216 CA :: 53.949 CB :: 34.922 CG :: 27.497 CD :: 44.176 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.694 HA :: 5.014 HB2 :: 1.743 HB3 :: 2.115 HG2 :: 1.736 HG3 :: 1.639 HD2 :: 3.295 HD3 :: 3.234 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.992 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.S47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 177.124 CA :: 57.048 CB :: 66.137 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.415 HA :: 4.912 HB2 :: 4.818 HB3 :: 3.635 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.911 Ave N Shift Values>> N :: 116.3(3.95) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.29 L 0.21 G 0.01 R 0.01 C Shift Assignments>> C :: 179.349 CA :: 58.522 CB :: 41.919 CD1 :: 22.993 CD2 :: 26.930 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.280 HA :: 4.127 HB2 :: 2.082 HB3 :: 1.321 HD11 :: 0.807 HD12 :: 0.807 HD13 :: 0.807 HD21 :: 0.933 HD22 :: 0.933 HD23 :: 0.933 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.974 Ave N Shift Values>> N :: 121.98(4.07) 1.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.43 Y 0.29 C 0.26 C Shift Assignments>> C :: 179.630 CA :: 61.135 CB :: 40.322 CD1 :: 132.766 CD2 :: 132.766 CE1 :: 131.485 CE2 :: 131.485 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.442 HA :: 4.636 HB2 :: 3.062 HB3 :: 3.185 HD1 :: 7.517 HD2 :: 7.517 HE1 :: 7.435 HE2 :: 7.435 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.713 Ave N Shift Values>> N :: 120.69(4.18) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 L 0.19 D 0.15 F 0.12 C 0.11 Y 0.09 R 0.06 N 0.02 I 0.01 C Shift Assignments>> C :: 177.056 CA :: 56.009 CB :: 41.462 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.368 HA :: 4.536 HB2 :: 2.887 HB3 :: 2.887 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.005 Ave N Shift Values>> N :: 120.73(4.2) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 C 0.45 D 0.03 Q 0.02 C Shift Assignments>> C :: 174.726 CA :: 55.714 CB :: 29.767 CG :: 36.918 CD :: 181.072 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.411 HA :: 4.529 HB2 :: 1.842 HB3 :: 2.587 HG2 :: 2.667 HG3 :: 2.103 HE21 :: 6.399 HE22 :: 6.921 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.351 NE2 :: 112.285 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 173.892 CA :: 45.782 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.172 HA2 :: 4.448 HA3 :: 3.545 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.700 Ave N Shift Values>> N :: 109.91(4.29) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 173.892 CA :: 62.024 CB :: 29.836 CG1 :: 20.004 CG2 :: 22.315 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.022 HA :: 4.042 HB :: 1.923 HG11 :: 0.682 HG12 :: 0.682 HG13 :: 0.682 HG21 :: 0.850 HG22 :: 0.850 HG23 :: 0.850 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.486 Ave N Shift Values>> N :: 121.02(4.96) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.29 K 0.25 G 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 175.786 CA :: 55.055 CB :: 30.200 CG :: 23.920 CD :: 28.515 CE :: 42.570 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.917 HA :: 4.292 HB2 :: 1.798 HB3 :: 1.678 HG2 :: 1.283 HG3 :: 0.974 HD2 :: 1.235 HD3 :: 1.144 HE2 :: 2.801 HE3 :: 2.700 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.537 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.15 S 0.02 C Shift Assignments>> C :: 171.054 CA :: 60.166 CB :: 68.434 CG2 :: 19.327 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.608 HA :: 4.630 HB :: 4.263 HG21 :: 1.021 HG22 :: 1.021 HG23 :: 1.021 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.508 Ave N Shift Values>> N :: 115.7(5.05) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.23 C 0.11 R 0.11 D 0.04 F 0.01 C Shift Assignments>> C :: 175.334 CA :: 53.375 CB :: 44.546 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.429 HA :: 5.017 HB2 :: 2.618 HB3 :: 2.618 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.681 Ave N Shift Values>> N :: 120.73(4.2) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> C :: 172.844 CA :: 45.909 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.389 HA2 :: 4.082 HA3 :: 3.921 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.813 Ave N Shift Values>> N :: 109.91(4.29) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.188 CA :: 62.966 CB :: 69.842 CG2 :: 22.536 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.229 HA :: 4.707 HB :: 3.998 HG21 :: 1.202 HG22 :: 1.202 HG23 :: 1.202 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.382 Ave N Shift Values>> N :: 115.7(5.05) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.12 I 0.07 A 0.01 C Shift Assignments>> C :: 173.442 CA :: 58.901 CB :: 35.286 CG1 :: 18.913 CG2 :: 23.147 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.062 HA :: 4.966 HB :: 1.998 HG11 :: 0.797 HG12 :: 0.797 HG13 :: 0.797 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.935 Ave N Shift Values>> N :: 121.02(4.96) 1.Q60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.47 C 0.39 E 0.12 C Shift Assignments>> C :: 175.272 CA :: 54.978 CB :: 30.204 CG :: 33.748 CD :: 179.369 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.234 HA :: 4.498 HB2 :: 1.968 HB3 :: 1.968 HG2 :: 2.224 HG3 :: 2.098 HE21 :: 7.404 HE22 :: 6.684 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.943 NE2 :: 110.549 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 G 0.32 C 0.21 R 0.07 C Shift Assignments>> C :: 177.125 CA :: 53.267 CB :: 44.142 CG :: 26.890 CD1 :: 24.624 CD2 :: 26.910 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.850 HA :: 5.173 HB2 :: 2.098 HB3 :: 1.327 HG :: 1.950 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 HD21 :: 0.883 HD22 :: 0.883 HD23 :: 0.883 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.686 Ave N Shift Values>> N :: 121.98(4.07) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.056 CA :: 57.126 CB :: 63.568 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.162 HA :: 5.057 HB2 :: 3.854 HB3 :: 3.854 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.605 Ave N Shift Values>> N :: 116.3(3.95) 1.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 173.839 CA :: 61.170 CB :: 34.656 CG1 :: 22.396 CG2 :: 22.230 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.411 HA :: 4.752 HB :: 2.082 HG11 :: 0.923 HG12 :: 0.923 HG13 :: 0.923 HG21 :: 0.753 HG22 :: 0.753 HG23 :: 0.753 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.746 Ave N Shift Values>> N :: 121.02(4.96) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 Q 0.36 E 0.15 N 0.01 C Shift Assignments>> C :: 174.700 CA :: 54.573 CB :: 31.475 CG :: 34.464 CD :: 179.171 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.468 HA :: 4.997 HB2 :: 2.106 HB3 :: 2.319 HG2 :: 2.431 HG3 :: 2.179 HE21 :: 7.581 HE22 :: 6.855 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 128.141 NE2 :: 111.527 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 HN Overlap>> 1.I66 1.I66 C Shift Assignments>> C :: 175.371 CA :: 62.289 CB :: 31.878 CG1 :: 20.811 CG2 :: 21.132 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.018 HA :: 4.518 HB :: 2.196 HG11 :: 0.882 HG12 :: 0.882 HG13 :: 0.882 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.814 Ave N Shift Values>> N :: 121.02(4.96) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 HN Overlap>> 1.V65 1.V65 C Shift Assignments>> C :: 174.888 CA :: 60.490 CB :: 39.629 CG1 :: 27.371 CG2 :: 17.766 CD1 :: 13.196 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.060 HA :: 4.445 HB :: 1.948 HG12 :: 1.146 HG13 :: 1.489 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.872 Ave N Shift Values>> N :: 121.6(4.72) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.692 CA :: 56.644 CB :: 64.119 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.275 HA :: 4.720 HB2 :: 3.694 HB3 :: 3.931 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.518 Ave N Shift Values>> N :: 116.3(3.95) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 175.785 CA :: 57.183 CB :: 39.435 CD1 :: 133.456 CD2 :: 133.456 CE1 :: 118.397 CE2 :: 118.397 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.882 HA :: 4.662 HB2 :: 3.152 HB3 :: 2.895 HD1 :: 7.214 HD2 :: 7.214 HE1 :: 6.873 HE2 :: 6.873 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.086 Ave N Shift Values>> N :: 120.79(4.69) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.39 E 0.18 C Shift Assignments>> C :: 176.755 CA :: 57.513 CB :: 28.485 CG :: 33.749 CD :: 180.417 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.607 HA :: 4.143 HB2 :: 2.085 HB3 :: 2.085 HG2 :: 2.394 HG3 :: 2.394 HE21 :: 7.541 HE22 :: 6.890 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.523 NE2 :: 112.050 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.643 CA :: 45.471 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.738 HA2 :: 4.207 HA3 :: 3.756 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.544 Ave N Shift Values>> N :: 109.91(4.29) 1.M71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 A 0.3 C 0.29 HN Overlap>> 1.R46 1.R46 C Shift Assignments>> C :: 175.450 CA :: 53.993 CB :: 34.735 CG :: 32.052 CE :: 17.295 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.760 HA :: 4.763 HB2 :: 2.070 HB3 :: 1.940 HG2 :: 2.487 HG3 :: 2.487 HE1 :: 2.130 HE2 :: 2.130 HE3 :: 2.130 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 118.042 Ave N Shift Values>> N :: 120.1(3.88) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.15 H 0.15 C 0.11 R 0.11 W 0.1 E 0.09 L 0.06 M 0.03 I 0.01 HN Overlap>> 1.I80 1.I80 C Shift Assignments>> CA :: 55.152 CB :: 28.679 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.603 HA :: 4.505 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.382 Ave N Shift Values>> N :: 120.68(3.68) 1.P73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 176.935 CA :: 62.852 CB :: 29.828 CG :: 27.127 CD :: 50.337 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.559 HB2 :: 1.529 HB3 :: 0.323(S) HG2 :: 1.700 HG3 :: 1.602 HD2 :: 3.665 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 R 0.36 K 0.08 G 0.02 M 0.01 C Shift Assignments>> C :: 174.832 CA :: 55.277 CB :: 37.919 CG :: 24.841 CD :: 29.876 CE :: 42.357 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.711 HA :: 5.272 HB2 :: 1.669 HB3 :: 1.778 HG2 :: 1.432 HG3 :: 1.365 HD2 :: 1.768 HD3 :: 1.660 HE2 :: 2.960 HE3 :: 2.960 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.123 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.24 R 0.09 G 0.05 C Shift Assignments>> C :: 173.981 CA :: 53.553 CB :: 42.731 CG :: 26.590 CD1 :: 25.399 CD2 :: 26.568 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.202 HA :: 4.966 HB2 :: 1.993 HB3 :: 1.130 HG :: 1.747 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 HD21 :: 0.827 HD22 :: 0.827 HD23 :: 0.827 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.641 Ave N Shift Values>> N :: 121.98(4.07) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.32 D 0.19 C Shift Assignments>> C :: 174.348 CA :: 51.511 CB :: 40.502 CG :: 174.514 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.310 HA :: 5.242 HB2 :: 3.043 HB3 :: 2.349 HD21 :: 7.254 HD22 :: 6.817 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 122.065 ND2 :: 110.556 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 175.126 CA :: 62.636 CB :: 38.298 CG1 :: 27.789 CG2 :: 19.471 CD1 :: 14.666 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.462 HA :: 4.245 HB :: 2.147 HG12 :: 0.841 HG13 :: 1.928 HG21 :: 0.881 HG22 :: 0.881 HG23 :: 0.881 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.023 Ave N Shift Values>> N :: 121.6(4.72) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 C 0.27 G 0.22 R 0.09 A 0.02 C Shift Assignments>> C :: 177.680 CA :: 55.771 CB :: 44.107 CG :: 26.785 CD1 :: 22.879 CD2 :: 26.043 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.107 HA :: 4.449 HB2 :: 1.641 HB3 :: 1.641 HG :: 1.769 HD11 :: 0.821 HD12 :: 0.821 HD13 :: 0.821 HD21 :: 0.923 HD22 :: 0.923 HD23 :: 0.923 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 128.129 Ave N Shift Values>> N :: 121.98(4.07) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 M 0.16 E 0.1 C Shift Assignments>> C :: 173.591 CA :: 55.383 CB :: 34.127 CG :: 36.515 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.423 HA :: 4.650 HB2 :: 2.231 HB3 :: 2.006 HG2 :: 2.237 HG3 :: 2.237 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 114.952 Ave N Shift Values>> N :: 120.68(3.68) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 HN Overlap>> 1.E72 1.E72 C Shift Assignments>> C :: 174.790 CA :: 61.686 CB :: 39.938 CG1 :: 27.176 CG2 :: 17.377 CD1 :: 15.462 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.635 HA :: 4.491 HB :: 1.789 HG12 :: 1.479 HG13 :: 0.876 HG21 :: 0.728 HG22 :: 0.728 HG23 :: 0.728 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.373 Ave N Shift Values>> N :: 121.6(4.72) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 V 0.41 M 0.07 I 0.02 C Shift Assignments>> C :: 174.950 CA :: 60.817 CB :: 35.308 CG2 :: 21.263 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.807 HA :: 4.592 HB :: 2.121 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.467 Ave N Shift Values>> N :: 121.02(4.96) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.21 M 0.02 G 0.01 C Shift Assignments>> C :: 176.431 CA :: 56.098 CB :: 33.533 CG :: 25.041 CD :: 29.262 CE :: 42.329 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.773 HA :: 4.700 HB2 :: 2.012 HB3 :: 1.764 HG2 :: 1.575 HG3 :: 1.575 HD2 :: 1.878 HD3 :: 1.788 HE2 :: 3.126 HE3 :: 3.126 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.101 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.107 CA :: 62.605 CB :: 69.398 CG2 :: 22.031 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.377 HA :: 4.254 HB :: 4.254 HG21 :: 1.244 HG22 :: 1.244 HG23 :: 1.244 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.086 Ave N Shift Values>> N :: 115.7(5.05) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.2 C 0.03 L 0.01 C Shift Assignments>> C :: 177.218 CA :: 52.613 CB :: 19.592 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.465 HA :: 4.414 HB1 :: 1.489 HB2 :: 1.489 HB3 :: 1.489 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.448 Ave N Shift Values>> N :: 123.23(3.7) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.36 M 0.16 K 0.03 I 0.03 Q 0.03 HN Overlap>> 1.C4 1.C4 C Shift Assignments>> C :: 176.275 CA :: 56.395 CB :: 31.140 CG :: 36.381 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.330 HA :: 4.453 HB2 :: 2.135 HB3 :: 1.998 HG2 :: 2.331 HG3 :: 2.331 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.094 Ave N Shift Values>> N :: 120.68(3.68) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.157 CA :: 62.157 CB :: 69.911 CG2 :: 21.873 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.336 HA :: 4.408 HB :: 4.186 HG21 :: 1.221 HG22 :: 1.221 HG23 :: 1.221 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.733 Ave N Shift Values>> N :: 115.7(5.05) 1.V87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.258 CA :: 62.157 CB :: 33.101 CG1 :: 20.490 CG2 :: 21.309 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.289 HA :: 4.145 HB :: 1.968 HG11 :: 0.872 HG12 :: 0.872 HG13 :: 0.872 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.901 Ave N Shift Values>> N :: 121.02(4.96) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 M 0.17 K 0.03 Q 0.02 I 0.02 HN Overlap>> 1.A2 1.A2 C Shift Assignments>> C :: 174.880 CA :: 56.111 CB :: 31.121 CG :: 36.403 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.258 HA :: 4.383 HB2 :: 1.882 HB3 :: 2.043 HG2 :: 2.211 HG3 :: 2.211 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.051 Ave N Shift Values>> N :: 120.68(3.68) 1.W89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.43 H 0.02 C Shift Assignments>> CA :: 58.702 CB :: 30.501 CD1 :: 127.106 CE3 :: 121.300 CZ2 :: 114.446 CZ3 :: 121.951 CH2 :: 124.235 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.646 HA :: 4.566 HD1 :: 7.212 HE1 :: 10.034 HE3 :: 7.628 HZ2 :: 7.434 HZ3 :: 7.164 HH2 :: 7.196 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 127.244 NE1 :: 128.812 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) ########################################################################### Overall Results: #Consistent: 85 #Clerical: 0 #Suspicious: 2 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 89 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 89 #Suspicious: 0 C Shift Results: #Consistent: 396 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 626 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 97 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.N17 HD21 = 9.149(S), Expected = 7.27, Std = 0.5200, ChiSquare = 3.0214e-04 1.Q27 CD = 181.322(A), Expected = 179.68, Std = 1.1700, ChiSquare = 1.6049e-01 1.H33 NE2 = 249.473(A), Expected = 179.81, Std = 13.8600, ChiSquare = 5.0032e-07 1.P73 HB3 = 0.323(S), Expected = 2.05, Std = 0.3900, ChiSquare = 9.5021e-06