Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 57.409 CB :: 63.634 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.121 HB2 :: 4.002 HB3 :: 4.002 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) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.59 C 0.29 R 0.07 G 0.01 A 0.01 C Shift Assignments>> C :: 177.431 CA :: 55.600 CB :: 42.202 CG :: 27.091 CD1 :: 24.958 CD2 :: 23.618 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>> HA :: 4.421 HB2 :: 1.676 HB3 :: 1.676 HG :: 1.673 HD11 :: 0.964 HD12 :: 0.964 HD13 :: 0.964 HD21 :: 0.924 HD22 :: 0.924 HD23 :: 0.924 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) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 I 0.06 K 0.06 Q 0.03 C Shift Assignments>> C :: 177.196 CA :: 57.197 CB :: 30.276 CG :: 36.427 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 :: 8.561 HA :: 4.277 HB2 :: 2.065 HB3 :: 1.983 HG2 :: 2.326 HG3 :: 2.326 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 :: 121.661 Ave N Shift Values>> N :: 120.68(3.68) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.314 CA :: 45.499 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.428 HA2 :: 3.968 HA3 :: 3.968 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.875 Ave N Shift Values>> N :: 109.91(4.29) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 176.486 CA :: 61.224 CB :: 38.674 CG1 :: 27.399 CG2 :: 17.612 CD1 :: 13.017 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 :: 7.957 HA :: 4.182 HB :: 1.908 HG12 :: 1.480 HG13 :: 1.227 HG21 :: 0.928 HG22 :: 0.928 HG23 :: 0.928 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.216 Ave N Shift Values>> N :: 121.6(4.72) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.18 M 0.02 G 0.01 C Shift Assignments>> C :: 176.434 CA :: 56.372 CB :: 33.050 CG :: 24.914 CD :: 28.978 CE :: 42.169 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 :: 8.378 HA :: 4.336 HB2 :: 1.816 HB3 :: 1.809 HG2 :: 1.435 HG3 :: 1.435 HD2 :: 1.705 HD3 :: 1.705 HE2 :: 3.023 HE3 :: 3.023 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 :: 125.414 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.11 M 0.09 R 0.04 C Shift Assignments>> C :: 175.912 CA :: 55.830 CB :: 29.508 CG :: 33.792 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 :: 8.375 HA :: 4.332 HB2 :: 2.085 HB3 :: 1.999 HG2 :: 2.357 HG3 :: 2.357 HE21 :: 7.535 HE22 :: 6.860 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 :: 122.180 NE2 :: 112.020 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 175.748 CA :: 61.174 CB :: 38.909 CG1 :: 27.337 CG2 :: 17.562 CD1 :: 13.076 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 :: 8.195 HA :: 4.108 HB :: 1.783 HG12 :: 1.430 HG13 :: 1.147 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 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 :: 122.337 Ave N Shift Values>> N :: 121.6(4.72) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.19 C 0.15 Y 0.07 F 0.06 L 0.03 C Shift Assignments>> C :: 175.409 CA :: 52.904 CB :: 38.834 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 :: 8.412 HA :: 4.723 HB2 :: 2.812 HB3 :: 2.729 HD21 :: 6.923 HD22 :: 7.598 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 :: 122.448 ND2 :: 112.577 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 176.099 CA :: 58.254 CB :: 39.132 CD1 :: 131.966 CD2 :: 131.966 CE1 :: 131.601 CE2 :: 131.601 CZ :: 130.137 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 :: 8.266 HA :: 4.605 HB2 :: 3.218 HB3 :: 3.071 HD1 :: 7.246 HD2 :: 7.246 HE1 :: 7.361 HE2 :: 7.361 HZ :: 7.311 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 :: 121.339 Ave N Shift Values>> N :: 120.69(4.18) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.22 E 0.14 M 0.07 R 0.03 C Shift Assignments>> C :: 176.028 CA :: 56.580 CB :: 29.402 CG :: 34.058 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 :: 8.336 HA :: 4.323 HB2 :: 2.149 HB3 :: 2.149 HG2 :: 2.343 HG3 :: 2.343 HE21 :: 7.580 HE22 :: 6.907 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.198 NE2 :: 112.546 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.983 CA :: 57.970 CB :: 63.929 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.214 HA :: 4.592 HB2 :: 3.935 HB3 :: 3.892 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.930 Ave N Shift Values>> N :: 116.3(3.95) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.82 C 0.17 C Shift Assignments>> C :: 176.527 CA :: 63.215 CB :: 37.645 CG1 :: 28.125 CG2 :: 17.914 CD1 :: 13.329 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 :: 7.819 HA :: 3.878 HB :: 1.746 HG12 :: 1.632 HG13 :: 1.216 HG21 :: 0.823 HG22 :: 0.823 HG23 :: 0.823 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.318 Ave N Shift Values>> N :: 121.6(4.72) 1.N15 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> C 0.29 E 0.22 M 0.14 K 0.07 N 0.07 Y 0.07 Q 0.04 F 0.02 I 0.01 C Shift Assignments>> C :: 174.405 CA :: 55.181 CB :: 35.864 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 :: 8.804 HA :: 4.356 HB2 :: 3.142 HB3 :: 3.143 HD21 :: 4.398(S) HD22 :: 6.120 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.564 ND2 :: 103.904(A) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 177.241 CA :: 62.914 CB :: 32.516 CG1 :: 22.125 CG2 :: 23.420 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.577 HA :: 4.606 HB :: 2.059 HG11 :: 0.963 HG12 :: 0.963 HG13 :: 0.963 HG21 :: 0.981 HG22 :: 0.981 HG23 :: 0.981 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 :: 122.520 Ave N Shift Values>> N :: 121.02(4.96) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.22 A 0.02 I 0.01 C Shift Assignments>> C :: 175.724 CA :: 58.560 CB :: 33.685 CG1 :: 22.728 CG2 :: 18.648 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 :: 9.027 HA :: 4.859 HB :: 2.264 HG11 :: 0.911 HG12 :: 0.911 HG13 :: 0.911 HG21 :: 0.784 HG22 :: 0.784 HG23 :: 0.784 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.865 Ave N Shift Values>> N :: 121.02(4.96) 1.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.36 I 0.1 M 0.08 K 0.04 Q 0.02 C Shift Assignments>> C :: 175.815 CA :: 58.288 CB :: 30.627 CG :: 36.523 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.004 HA :: 4.235 HB2 :: 2.209 HB3 :: 2.098 HG2 :: 2.442 HG3 :: 2.442 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 :: 123.319 Ave N Shift Values>> N :: 120.68(3.68) 1.N19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.17 L 0.17 C 0.12 K 0.06 F 0.04 Y 0.03 R 0.03 C Shift Assignments>> C :: 174.948 CA :: 51.730 CB :: 41.503 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.393 HA :: 4.995 HB2 :: 2.836 HB3 :: 2.492 HD21 :: 7.852 HD22 :: 7.038 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 :: 113.003 ND2 :: 115.965 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.43 R 0.01 C Shift Assignments>> C :: 178.880 CA :: 57.891 CB :: 40.690 CG :: 26.655 CD1 :: 25.463 CD2 :: 22.968 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 :: 8.552 HA :: 3.372 HB2 :: 1.313 HB3 :: 0.464 HG :: 1.093 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 HD21 :: 0.643 HD22 :: 0.643 HD23 :: 0.643 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.981 Ave N Shift Values>> N :: 121.98(4.07) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.29 I 0.26 K 0.06 Q 0.01 C Shift Assignments>> C :: 177.133 CA :: 59.017 CB :: 28.528 CG :: 36.777 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.349 HA :: 4.057 HB2 :: 2.034 HB3 :: 2.023 HG2 :: 2.337 HG3 :: 2.337 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.581 Ave N Shift Values>> N :: 120.68(3.68) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 K 0.09 M 0.08 Q 0.04 I 0.03 C Shift Assignments>> C :: 176.102 CA :: 55.659 CB :: 29.918 CG :: 36.335 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.624 HA :: 4.307 HB2 :: 2.339 HB3 :: 2.146 HG2 :: 2.360 HG3 :: 2.360 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.049 Ave N Shift Values>> N :: 120.68(3.68) 1.A23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.33 C 0.01 C Shift Assignments>> C :: 176.900 CA :: 53.177 CB :: 17.764 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.445 HA :: 3.763 HB1 :: 1.289 HB2 :: 1.289 HB3 :: 1.289 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.467 Ave N Shift Values>> N :: 123.23(3.7) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.34 R 0.24 M 0.02 C Shift Assignments>> C :: 177.614 CA :: 56.656 CB :: 32.365 CG :: 24.913 CD :: 28.705 CE :: 42.157 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 :: 8.243 HA :: 4.186 HB2 :: 1.832 HB3 :: 1.824 HG2 :: 1.566 HG3 :: 1.561 HD2 :: 1.725 HD3 :: 1.725 HE2 :: 3.056 HE3 :: 3.056 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 :: 123.441 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 M 0.11 I 0.05 K 0.04 Q 0.02 C Shift Assignments>> C :: 177.614 CA :: 56.778 CB :: 30.606 CG :: 36.654 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 :: 8.794 HA :: 4.263 HB2 :: 2.087 HB3 :: 2.087 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 :: 124.376 Ave N Shift Values>> N :: 120.68(3.68) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 R 0.01 C Shift Assignments>> C :: 173.301 CA :: 46.014 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.966 HA2 :: 3.787 HA3 :: 4.172 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.448 Ave N Shift Values>> N :: 109.91(4.29) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.39 A 0.02 C Shift Assignments>> C :: 171.964 CA :: 58.145 CB :: 39.186 CG1 :: 23.903 CG2 :: 17.408 CD1 :: 13.511 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 :: 7.261 HA :: 5.010 HB :: 2.144 HG12 :: 1.373 HG13 :: 0.847 HG21 :: 0.881 HG22 :: 0.881 HG23 :: 0.881 HD11 :: 0.421 HD12 :: 0.421 HD13 :: 0.421 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 :: 112.153 Ave N Shift Values>> N :: 121.6(4.72) 1.P28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.26 C Shift Assignments>> C :: 174.459 CA :: 63.430 CB :: 33.249 CG :: 28.625 CD :: 50.991 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 :: 4.302 HB2 :: 2.827 HB3 :: 1.712 HG2 :: 2.027 HG3 :: 1.917 HD2 :: 4.056 HD3 :: 4.056 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.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 171.311 CA :: 62.200 CB :: 72.385 CG2 :: 21.371 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 :: 8.102 HA :: 5.014 HB :: 3.897 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.254 Ave N Shift Values>> N :: 115.7(5.05) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 174.383 CA :: 59.992 CB :: 40.069 CG1 :: 27.009 CG2 :: 16.956 CD1 :: 15.090 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 :: 9.144 HA :: 4.610 HB :: 1.620 HG12 :: 0.391 HG13 :: 1.395 HG21 :: 0.177 HG22 :: 0.177 HG23 :: 0.177 HD11 :: 0.383 HD12 :: 0.383 HD13 :: 0.383 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 127.765 Ave N Shift Values>> N :: 121.6(4.72) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 174.798 CA :: 59.512 CB :: 41.049 CG1 :: 27.672 CG2 :: 17.755 CD1 :: 14.897 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 :: 9.043 HA :: 4.930 HB :: 1.391 HG12 :: 1.497 HG13 :: 0.854 HG21 :: 0.246 HG22 :: 0.246 HG23 :: 0.246 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 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 :: 126.872 Ave N Shift Values>> N :: 121.6(4.72) 1.M32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.49 C 0.32 M 0.17 C Shift Assignments>> C :: 175.563 CA :: 53.980 CB :: 37.023 CG :: 32.094 CE :: 19.499 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.441 HA :: 5.345 HB2 :: 2.224 HB3 :: 1.544 HG2 :: 2.149 HG3 :: 3.165 HE1 :: 2.065 HE2 :: 2.065 HE3 :: 2.065 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 126.638 Ave N Shift Values>> N :: 120.1(3.88) 1.F33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.4 F 0.31 C 0.27 C Shift Assignments>> C :: 174.999 CA :: 58.146 CB :: 40.478 CD1 :: 133.040 CD2 :: 133.040 CE1 :: 130.373 CE2 :: 130.373 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.395 HA :: 5.289 HB2 :: 3.024 HB3 :: 3.024 HD1 :: 7.294 HD2 :: 7.294 HE1 :: 7.167 HE2 :: 7.167 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 :: 127.708 Ave N Shift Values>> N :: 120.69(4.18) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 A 0.33 M 0.02 K 0.01 HN Overlap>> 1.S52 1.S52 C Shift Assignments>> C :: 173.398 CA :: 54.430 CB :: 37.366 CG :: 21.425 CD :: 28.831 CE :: 40.804 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 :: 8.540 HA :: 5.180 HB2 :: 1.871 HB3 :: 1.536 HG2 :: 1.286 HG3 :: 1.286 HD2 :: 1.522 HD3 :: 1.183 HE2 :: 2.706 HE3 :: 2.705 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 115.703 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 T 0.49 C Shift Assignments>> C :: 176.802 CA :: 60.047 CB :: 72.749 CG2 :: 22.813 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 :: 6.686 HA :: 5.638 HB :: 4.607 HG21 :: 1.272 HG22 :: 1.272 HG23 :: 1.272 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 107.474 Ave N Shift Values>> N :: 115.7(5.05) 1.D36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.17 F 0.16 L 0.15 Y 0.14 C 0.14 K 0.11 N 0.04 I 0.02 R 0.01 C Shift Assignments>> C :: 177.364 CA :: 56.135 CB :: 40.648 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 :: 10.780(S) HA :: 4.497 HB2 :: 2.852 HB3 :: 2.655 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 :: 119.726 Ave N Shift Values>> N :: 120.73(4.2) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.18 S 0.02 C Shift Assignments>> C :: 173.594 CA :: 59.365 CB :: 68.148 CG2 :: 21.339 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 :: 7.823 HA :: 4.494 HB :: 4.352 HG21 :: 1.159 HG22 :: 1.159 HG23 :: 1.159 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 112.378 Ave N Shift Values>> N :: 115.7(5.05) 1.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 C 0.13 N 0.1 R 0.07 K 0.06 G 0.03 F 0.03 Y 0.02 C Shift Assignments>> CA :: 51.513 CB :: 42.265 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.105 HA :: 4.846 HB2 :: 3.886 HB3 :: 3.207 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 :: 119.916 Ave N Shift Values>> N :: 119.95(4.79) 1.P39 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 :: 180.669 CA :: 66.145 CB :: 32.107 CG :: 27.603 CD :: 50.384 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 :: 4.414 HB2 :: 2.381 HB3 :: 1.796 HG2 :: 2.014 HG3 :: 2.016 HD2 :: 3.879 HD3 :: 3.677 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.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 C 0.48 H 0.01 C Shift Assignments>> C :: 178.139 CA :: 58.698 CB :: 36.765 CD1 :: 131.878 CD2 :: 131.878 CE1 :: 118.759 CE2 :: 118.759 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 :: 9.339 HA :: 4.734 HB2 :: 3.132 HB3 :: 3.132 HD1 :: 7.238 HD2 :: 7.238 HE1 :: 6.997 HE2 :: 6.997 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 :: 115.773 Ave N Shift Values>> N :: 120.79(4.69) 1.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 P 0.33 C 0.08 I 0.02 HN Overlap>> 1.L48 1.L48 C Shift Assignments>> C :: 175.544 CA :: 64.469 CB :: 33.419 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.792 HA :: 4.454 HB2 :: 2.719 HB3 :: 2.718 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 :: 117.773 Ave N Shift Values>> N :: 119.95(4.79) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 179.021 CA :: 66.320 CB :: 31.875 CG1 :: 22.490 CG2 :: 21.208 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.569 HA :: 3.744 HB :: 2.301 HG11 :: 1.109 HG12 :: 1.109 HG13 :: 1.109 HG21 :: 1.012 HG22 :: 1.012 HG23 :: 1.012 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.101 Ave N Shift Values>> N :: 121.02(4.96) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.19 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.120 CA :: 59.702 CB :: 29.667 CG :: 36.137 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 :: 7.712 HA :: 4.145 HB2 :: 2.250 HB3 :: 2.250 HG2 :: 2.513 HG3 :: 2.440 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.266 Ave N Shift Values>> N :: 120.68(3.68) 1.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 M 0.28 I 0.03 A 0.01 C Shift Assignments>> C :: 177.703 CA :: 58.757 CB :: 32.121 CG :: 34.364 CE :: 18.406 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.246 HA :: 4.224 HB2 :: 2.425 HB3 :: 2.170 HG2 :: 2.865 HG3 :: 2.798 HE1 :: 2.238 HE2 :: 2.238 HE3 :: 2.238 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 :: 119.109 Ave N Shift Values>> N :: 120.1(3.88) 1.Q45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 K 0.19 Q 0.18 E 0.17 I 0.08 R 0.03 M 0.01 C Shift Assignments>> C :: 179.287 CA :: 59.625 CB :: 28.664 CG :: 34.549 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 :: 8.118 HA :: 4.296 HB2 :: 2.158 HB3 :: 1.907 HG2 :: 1.885 HG3 :: 2.405 HE21 :: 5.404(S) HE22 :: 6.559 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 :: 119.179 NE2 :: 108.236 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.36 R 0.2 M 0.01 C Shift Assignments>> C :: 179.078 CA :: 59.805 CB :: 31.655 CG :: 25.115 CD :: 29.025 CE :: 41.923 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 :: 7.611 HA :: 3.838 HB2 :: 2.040 HB3 :: 1.940 HG2 :: 1.534 HG3 :: 1.265 HD2 :: 1.695 HD3 :: 1.695 HE2 :: 2.980 HE3 :: 2.975 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 :: 120.399 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.31 I 0.14 K 0.1 Q 0.07 M 0.03 C Shift Assignments>> C :: 179.792 CA :: 59.334 CB :: 29.475 CG :: 35.703 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 :: 7.929 HA :: 4.197 HB2 :: 2.280 HB3 :: 2.090 HG2 :: 2.746 HG3 :: 2.747 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.442 Ave N Shift Values>> N :: 120.68(3.68) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 L 0.27 R 0.24 K 0.06 HN Overlap>> 1.C41 1.C41 C Shift Assignments>> C :: 180.171 CA :: 58.241 CB :: 41.618 CG :: 28.392 CD1 :: 26.458 CD2 :: 25.166 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 :: 8.776 HA :: 4.033 HB2 :: 2.281 HB3 :: 1.487 HG :: 1.790 HD11 :: 1.040 HD12 :: 1.040 HD13 :: 1.040 HD21 :: 0.891 HD22 :: 0.891 HD23 :: 0.891 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 :: 117.791 Ave N Shift Values>> N :: 121.98(4.07) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.956 CA :: 61.757 CB :: 62.553 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.203 HA :: 4.576 HB2 :: 4.090 HB3 :: 4.024 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 :: 118.984 Ave N Shift Values>> N :: 116.3(3.95) 1.Y50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.44 C Shift Assignments>> C :: 179.423 CA :: 59.275 CB :: 37.375 CD1 :: 132.897 CD2 :: 132.897 CE1 :: 118.250 CE2 :: 118.250 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 :: 7.798 HA :: 4.580 HB2 :: 3.307 HB3 :: 3.307 HD1 :: 7.189 HD2 :: 7.189 HE1 :: 6.858 HE2 :: 6.858 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 :: 122.775 Ave N Shift Values>> N :: 120.79(4.69) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 178.364 CA :: 65.267 CB :: 32.294 CG1 :: 22.503 CG2 :: 23.774 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.900 HA :: 3.949 HB :: 2.406 HG11 :: 1.044 HG12 :: 1.044 HG13 :: 1.044 HG21 :: 1.314 HG22 :: 1.314 HG23 :: 1.314 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 :: 117.864 Ave N Shift Values>> N :: 121.02(4.96) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K34 1.K34 C Shift Assignments>> C :: 175.126 CA :: 62.539 CB :: 63.101 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.558 HA :: 3.944 HB2 :: 4.028 HB3 :: 3.631 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.778 Ave N Shift Values>> N :: 116.3(3.95) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.39 R 0.16 M 0.03 C Shift Assignments>> C :: 177.992 CA :: 59.165 CB :: 32.449 CG :: 23.941 CD :: 29.206 CE :: 41.878 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 :: 7.468 HA :: 4.016 HB2 :: 1.946 HB3 :: 1.946 HG2 :: 1.511 HG3 :: 1.511 HD2 :: 1.649 HD3 :: 1.649 HE2 :: 2.932 HE3 :: 2.932 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 :: 118.535 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.38 C 0.36 M 0.07 K 0.07 I 0.06 Q 0.03 C Shift Assignments>> C :: 176.685 CA :: 56.614 CB :: 30.035 CG :: 36.527 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>> HA :: 4.492 HB2 :: 2.335 HB3 :: 2.119 HG2 :: 2.468 HG3 :: 2.293 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) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.34 G 0.23 K 0.05 C Shift Assignments>> C :: 176.266 CA :: 53.962 CB :: 31.516 CG :: 28.075 CD :: 44.101 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 :: 7.873 HA :: 4.711 HB2 :: 1.978 HB3 :: 1.807 HG2 :: 1.802 HG3 :: 1.612 HD2 :: 3.216 HD3 :: 3.095 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.234 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.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.2 K 0.08 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.346 CA :: 59.222 CB :: 29.170 CG :: 36.328 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 :: 8.540 HA :: 3.975 HB2 :: 2.013 HB3 :: 2.013 HG2 :: 2.271 HG3 :: 2.271 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 :: 126.450 Ave N Shift Values>> N :: 120.68(3.68) 1.G57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 175.493 CA :: 45.497 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.935 HA2 :: 4.171 HA3 :: 3.870 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.240 Ave N Shift Values>> N :: 109.91(4.29) 1.K58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.37 R 0.16 M 0.02 G 0.01 C Shift Assignments>> C :: 175.546 CA :: 55.666 CB :: 33.237 CG :: 24.882 CD :: 28.937 CE :: 42.111 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 :: 7.432 HA :: 4.404 HB2 :: 2.210 HB3 :: 1.921 HG2 :: 1.461 HG3 :: 1.461 HD2 :: 1.704 HD3 :: 1.704 HE2 :: 3.036 HE3 :: 3.036 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 :: 113.766 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.35 C 0.34 F 0.29 C Shift Assignments>> C :: 172.244 CA :: 56.257 CB :: 39.155 CD1 :: 133.005 CD2 :: 133.005 CE1 :: 130.992 CE2 :: 130.992 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.165 HA :: 4.739 HB2 :: 3.301 HB3 :: 2.839 HD1 :: 6.939 HD2 :: 6.939 HE1 :: 7.092 HE2 :: 7.092 HZ :: 7.079 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 :: 110.613 Ave N Shift Values>> N :: 120.69(4.18) 1.N60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> L 0.27 D 0.17 R 0.15 G 0.14 C 0.13 K 0.04 N 0.03 F 0.02 Y 0.01 C Shift Assignments>> C :: 174.899 CA :: 52.228 CB :: 43.245 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 :: 9.218 HA :: 5.355 HB2 :: 2.985 HB3 :: 2.314 HD21 :: 7.673 HD22 :: 7.456 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.193 ND2 :: 122.459(S) Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 173.319 CA :: 60.749 CB :: 41.619 CG1 :: 28.421 CG2 :: 16.940 CD1 :: 15.255 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 :: 8.741 HA :: 4.966 HB :: 1.280 HG12 :: 1.527 HG13 :: 0.789 HG21 :: 0.174 HG22 :: 0.174 HG23 :: 0.174 HD11 :: 0.967 HD12 :: 0.967 HD13 :: 0.967 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 :: 121.425 Ave N Shift Values>> N :: 121.6(4.72) 1.Y62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.35 G 0.01 C Shift Assignments>> C :: 173.141 CA :: 55.720 CB :: 41.959 CD1 :: 132.690 CD2 :: 132.690 CE1 :: 118.009 CE2 :: 118.009 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.992 HA :: 4.887 HB2 :: 2.473 HB3 :: 2.473 HD1 :: 6.876 HD2 :: 6.876 HE1 :: 6.782 HE2 :: 6.782 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 :: 126.662 Ave N Shift Values>> N :: 120.79(4.69) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.46 H 0.01 C Shift Assignments>> C :: 173.017 CA :: 56.560 CB :: 37.395 CD1 :: 132.593 CD2 :: 132.593 CE1 :: 118.284 CE2 :: 118.284 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.465 HA :: 4.761 HB2 :: 2.718 HB3 :: 2.345 HD1 :: 7.060 HD2 :: 7.060 HE1 :: 6.748 HE2 :: 6.748 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 127.148 Ave N Shift Values>> N :: 120.79(4.69) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.07 C 0.04 L 0.01 C Shift Assignments>> C :: 175.051 CA :: 49.920 CB :: 20.192 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.178 HA :: 3.889 HB1 :: 0.671 HB2 :: 0.671 HB3 :: 0.671 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.701 Ave N Shift Values>> N :: 123.23(3.7) 1.R65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.36 G 0.09 K 0.07 L 0.02 C Shift Assignments>> C :: 179.166 CA :: 56.734 CB :: 29.516 CG :: 27.989 CD :: 43.496 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.291 HA :: 4.348 HB2 :: 2.398 HB3 :: 1.750 HG2 :: 1.788 HG3 :: 1.532 HD2 :: 3.373 HD3 :: 3.373 HE :: 7.366 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.885 NE :: 114.934 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.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.44 R 0.03 C Shift Assignments>> C :: 177.353 CA :: 56.827 CB :: 40.610 CG :: 27.338 CD1 :: 23.319 CD2 :: 25.846 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 :: 9.352 HA :: 4.245 HB2 :: 1.718 HB3 :: 1.602 HG :: 1.957 HD11 :: 0.924 HD12 :: 0.924 HD13 :: 0.924 HD21 :: 0.841 HD22 :: 0.841 HD23 :: 0.841 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 :: 128.708 Ave N Shift Values>> N :: 121.98(4.07) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.31 I 0.25 K 0.05 M 0.02 Q 0.02 C Shift Assignments>> C :: 177.549 CA :: 60.025 CB :: 29.556 CG :: 36.330 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.963 HA :: 4.005 HB2 :: 1.990 HB3 :: 1.990 HG2 :: 2.279 HG3 :: 2.279 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.177 Ave N Shift Values>> N :: 120.68(3.68) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.38 M 0.13 K 0.03 I 0.03 Q 0.01 C Shift Assignments>> C :: 176.652 CA :: 55.573 CB :: 30.754 CG :: 36.795 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 :: 7.641 HA :: 4.611 HB2 :: 2.257 HB3 :: 2.164 HG2 :: 2.306 HG3 :: 2.306 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.516 Ave N Shift Values>> N :: 120.68(3.68) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.24 K 0.05 M 0.02 Q 0.01 C Shift Assignments>> C :: 178.823 CA :: 59.744 CB :: 29.508 CG :: 36.450 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.043 HA :: 4.064 HB2 :: 2.169 HB3 :: 2.169 HG2 :: 2.435 HG3 :: 2.435 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.149 Ave N Shift Values>> N :: 120.68(3.68) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.34 R 0.2 M 0.05 G 0.01 C Shift Assignments>> C :: 177.497 CA :: 58.405 CB :: 31.256 CG :: 23.924 CD :: 29.778 CE :: 42.113 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 :: 8.874 HA :: 4.415 HB2 :: 2.086 HB3 :: 1.998 HG2 :: 1.505 HG3 :: 1.273 HD2 :: 1.851 HD3 :: 1.851 HE2 :: 3.243 HE3 :: 3.243 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.199 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 D 0.24 C 0.15 Y 0.1 F 0.09 L 0.06 C Shift Assignments>> C :: 176.140 CA :: 53.888 CB :: 39.355 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 :: 8.115 HA :: 5.282 HB2 :: 3.175 HB3 :: 2.851 HD21 :: 8.492 HD22 :: 7.802 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 :: 116.534 ND2 :: 118.740 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.92 C 0.07 C Shift Assignments>> C :: 178.406 CA :: 65.353 CB :: 37.387 CG1 :: 29.068 CG2 :: 17.178 CD1 :: 12.682 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 :: 7.853 HA :: 3.776 HB :: 2.114 HG12 :: 1.774 HG13 :: 1.332 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 HD11 :: 0.972 HD12 :: 0.972 HD13 :: 0.972 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.080 Ave N Shift Values>> N :: 121.6(4.72) 1.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.22 C 0.17 L 0.09 D 0.08 K 0.07 I 0.06 N 0.01 C Shift Assignments>> C :: 179.432 CA :: 57.663 CB :: 40.297 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 :: 8.257 HA :: 4.592 HB2 :: 2.721 HB3 :: 2.757 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 :: 120.002 Ave N Shift Values>> N :: 120.73(4.2) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.31 R 0.17 G 0.07 C Shift Assignments>> C :: 177.948 CA :: 57.724 CB :: 43.228 CG :: 27.423 CD1 :: 25.061 CD2 :: 25.596 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 :: 7.687 HA :: 4.234 HB2 :: 2.154 HB3 :: 2.152 HG :: 2.160 HD11 :: 1.258 HD12 :: 1.258 HD13 :: 1.258 HD21 :: 1.170 HD22 :: 1.170 HD23 :: 1.170 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.237 Ave N Shift Values>> N :: 121.98(4.07) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.33 I 0.04 C 0.02 C Shift Assignments>> C :: 180.426 CA :: 55.073 CB :: 17.626 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.380 HA :: 3.487 HB1 :: 1.289 HB2 :: 1.289 HB3 :: 1.289 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.912 Ave N Shift Values>> N :: 123.23(3.7) 1.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 179.275 CA :: 60.530 CB :: 37.920 CD1 :: 133.021 CD2 :: 133.021 CE1 :: 118.239 CE2 :: 118.239 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 :: 7.966 HA :: 4.334 HB2 :: 3.191 HB3 :: 3.191 HD1 :: 7.189 HD2 :: 7.189 HE1 :: 6.822 HE2 :: 6.822 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 :: 117.768 Ave N Shift Values>> N :: 120.79(4.69) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.14 M 0.03 HN Overlap>> 1.A80 1.A80 C Shift Assignments>> C :: 177.842 CA :: 59.189 CB :: 32.318 CG :: 24.673 CD :: 29.700 CE :: 41.902 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 :: 8.009 HA :: 3.808 HB2 :: 1.800 HB3 :: 1.685 HG2 :: 1.185 HG3 :: 0.610 HD2 :: 1.535 HD3 :: 1.445 HE2 :: 2.886 HE3 :: 2.889 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 :: 120.946 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 173.322 CA :: 57.582 CB :: 38.487 CD1 :: 133.163 CD2 :: 133.163 CE1 :: 117.637 CE2 :: 117.637 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 :: 7.311 HA :: 4.732 HB2 :: 3.482 HB3 :: 2.443 HD1 :: 7.311 HD2 :: 7.311 HE1 :: 6.787 HE2 :: 6.787 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.795 Ave N Shift Values>> N :: 120.79(4.69) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 N 0.17 C 0.16 Y 0.14 F 0.14 L 0.09 K 0.01 I 0.01 C Shift Assignments>> C :: 175.173 CA :: 55.033 CB :: 39.590 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 :: 7.587 HA :: 4.151 HB2 :: 3.005 HB3 :: 2.484 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.898 Ave N Shift Values>> N :: 120.73(4.2) 1.A80 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.8 M 0.17 C 0.01 HN Overlap>> 1.K77 1.K77 C Shift Assignments>> C :: 175.431 CA :: 51.027 CB :: 17.332 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.084 HA :: 4.376 HB1 :: 0.467(S) HB2 :: 0.467(S) HB3 :: 0.467(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.000 Ave N Shift Values>> N :: 123.23(3.7) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 D 0.25 C 0.14 Y 0.1 F 0.1 L 0.08 K 0.01 C Shift Assignments>> C :: 174.453 CA :: 54.124 CB :: 39.564 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 :: 8.272 HA :: 4.506 HB2 :: 2.706 HB3 :: 2.671 HD21 :: 7.441 HD22 :: 6.787 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.728 ND2 :: 113.708 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.214 CA :: 59.456 CB :: 40.648 CG1 :: 27.083 CG2 :: 17.514 CD1 :: 12.876 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 :: 7.570 HA :: 4.371 HB :: 1.696 HG12 :: 1.347 HG13 :: 1.126 HG21 :: 0.815 HG22 :: 0.815 HG23 :: 0.815 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 118.774 Ave N Shift Values>> N :: 121.6(4.72) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 V 0.11 A 0.05 I 0.02 C Shift Assignments>> C :: 174.040 CA :: 57.949 CB :: 33.860 CG1 :: 18.720 CG2 :: 23.365 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 :: 8.328 HA :: 4.838 HB :: 2.212 HG11 :: 1.125 HG12 :: 1.125 HG13 :: 1.125 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.985 Ave N Shift Values>> N :: 121.02(4.96) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.59 P 0.38 A 0.01 C Shift Assignments>> C :: 176.929 CA :: 63.514 CB :: 34.090 CG :: 24.546 CD :: 50.419 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 :: 5.222 HB2 :: 2.289 HB3 :: 2.735 HG2 :: 1.968 HG3 :: 1.841 HD2 :: 3.515 HD3 :: 3.866 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.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 172.768 CA :: 64.394 CB :: 72.682 CG2 :: 21.454 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 :: 7.445 HA :: 5.143 HB :: 4.050 HG21 :: 1.185 HG22 :: 1.185 HG23 :: 1.185 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 :: 118.138 Ave N Shift Values>> N :: 115.7(5.05) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 172.657 CA :: 62.716 CB :: 69.044 CG2 :: 23.636 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.306 HA :: 5.309 HB :: 3.988 HG21 :: 0.641 HG22 :: 0.641 HG23 :: 0.641 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 :: 126.333 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 0.6 C 0.39 C Shift Assignments>> C :: 173.878 CA :: 61.014 CB :: 34.534 CG1 :: 21.395 CG2 :: 20.880 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 :: 9.743 HA :: 4.609 HB :: 1.844 HG11 :: 0.907 HG12 :: 0.907 HG13 :: 0.907 HG21 :: 0.476 HG22 :: 0.476 HG23 :: 0.476 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.974 Ave N Shift Values>> N :: 121.02(4.96) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.45 C 0.32 F 0.22 C Shift Assignments>> C :: 174.438 CA :: 56.604 CB :: 39.770 CD1 :: 133.030 CD2 :: 133.030 CE1 :: 128.954 CE2 :: 128.954 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.525 HA :: 4.938 HB2 :: 3.473 HB3 :: 2.700 HD1 :: 7.204 HD2 :: 7.204 HE1 :: 7.079 HE2 :: 7.079 HZ :: 7.080 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 :: 124.665 Ave N Shift Values>> N :: 120.69(4.18) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 G 0.17 C 0.16 A 0.06 R 0.03 C Shift Assignments>> C :: 177.601 CA :: 52.789 CB :: 43.655 CG :: 26.904 CD1 :: 25.155 CD2 :: 22.972 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 :: 9.710 HA :: 5.293 HB2 :: 2.099 HB3 :: 1.243 HG :: 1.504 HD11 :: 0.855 HD12 :: 0.855 HD13 :: 0.855 HD21 :: 0.720 HD22 :: 0.720 HD23 :: 0.720 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 :: 125.156 Ave N Shift Values>> N :: 121.98(4.07) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.21 C 0.11 N 0.11 K 0.09 R 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 178.225 CA :: 52.533 CB :: 41.839 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 :: 8.767 HA :: 4.496 HB2 :: 3.421 HB3 :: 2.551 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.774 Ave N Shift Values>> N :: 120.73(4.2) 1.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.34 R 0.27 M 0.01 C Shift Assignments>> C :: 176.050 CA :: 58.560 CB :: 31.788 CG :: 23.978 CD :: 28.169 CE :: 41.971 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.067 HA :: 3.788 HB2 :: 1.751 HB3 :: 1.428 HG2 :: 1.479 HG3 :: 1.220 HD2 :: 1.700 HD3 :: 1.611 HE2 :: 3.014 HE3 :: 3.014 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 :: 116.312 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.1 K 0.08 Q 0.04 I 0.03 C Shift Assignments>> C :: 176.633 CA :: 56.032 CB :: 30.152 CG :: 36.312 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 :: 8.045 HA :: 4.482 HB2 :: 2.287 HB3 :: 2.054 HG2 :: 2.256 HG3 :: 2.256 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.589 Ave N Shift Values>> N :: 120.68(3.68) 1.G93 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 :: 174.249 CA :: 45.441 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.274 HA2 :: 4.324 HA3 :: 3.635 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.935 Ave N Shift Values>> N :: 109.91(4.29) 1.N94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.22 C 0.14 Y 0.06 F 0.05 L 0.04 C Shift Assignments>> C :: 175.574 CA :: 52.691 CB :: 39.196 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.685 HA :: 4.875 HB2 :: 3.104 HB3 :: 2.704 HD21 :: 8.566 HD22 :: 7.249 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 :: 119.872 ND2 :: 118.860 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.42 R 0.09 M 0.04 C Shift Assignments>> C :: 175.429 CA :: 58.512 CB :: 32.122 CG :: 24.312 CD :: 29.441 CE :: 41.148 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 :: 8.964 HA :: 4.166 HB2 :: 2.007 HB3 :: 1.928 HG2 :: 1.494 HG3 :: 1.257 HD2 :: 1.890 HD3 :: 1.834 HE2 :: 3.099 HE3 :: 3.003 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 :: 123.527 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.36 C 0.22 G 0.02 C Shift Assignments>> C :: 175.012 CA :: 59.257 CB :: 42.503 CD1 :: 132.156 CD2 :: 132.156 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.562 HA :: 4.897 HB2 :: 3.207 HB3 :: 2.918 HD1 :: 7.192 HD2 :: 7.192 HE1 :: 7.281 HE2 :: 7.281 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 :: 129.923 Ave N Shift Values>> N :: 120.69(4.18) 1.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.36 G 0.05 C Shift Assignments>> C :: 172.394 CA :: 58.335 CB :: 42.716 CD1 :: 132.825 CD2 :: 132.825 CE1 :: 119.088 CE2 :: 119.088 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.019 HA :: 4.716 HB2 :: 3.053 HB3 :: 2.374 HD1 :: 6.964 HD2 :: 6.964 HE1 :: 6.851 HE2 :: 6.851 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 :: 117.999 Ave N Shift Values>> N :: 120.79(4.69) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 173.041 CA :: 60.975 CB :: 34.978 CG1 :: 22.013 CG2 :: 21.015 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.551 HA :: 5.141 HB :: 1.880 HG11 :: 1.069 HG12 :: 1.069 HG13 :: 1.069 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.476 Ave N Shift Values>> N :: 121.02(4.96) 1.H99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 H 0.04 Y 0.01 C Shift Assignments>> C :: 175.237 CA :: 55.584 CB :: 36.553 CD2 :: 119.461 CE1 :: 138.547 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 9.370 HA :: 4.767 HB2 :: 3.397 HB3 :: 3.175 HD2 :: 6.725 HE1 :: 7.959 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 :: 125.421 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.24 C 0.24 K 0.18 E 0.16 M 0.12 R 0.01 C Shift Assignments>> C :: 174.491 CA :: 55.665 CB :: 29.930 CG :: 34.299 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 :: 8.719 HA :: 4.951 HB2 :: 1.981 HB3 :: 1.846 HG2 :: 2.414 HG3 :: 2.325 HE21 :: 7.452 HE22 :: 7.052 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 :: 131.397 NE2 :: 112.975 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 C 0.08 G 0.07 D 0.05 K 0.05 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 173.466 CA :: 43.340 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.347 HA2 :: 4.626 HA3 :: 3.644 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.511 Ave N Shift Values>> N :: 109.91(4.29) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.29 R 0.13 G 0.04 C Shift Assignments>> C :: 176.436 CA :: 56.517 CB :: 42.929 CG :: 27.073 CD1 :: 23.943 CD2 :: 25.469 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 :: 8.594 HA :: 4.144 HB2 :: 1.586 HB3 :: 1.041 HG :: 1.284 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 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 :: 121.368 Ave N Shift Values>> N :: 121.98(4.07) 1.M103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 A 0.27 M 0.24 I 0.01 C Shift Assignments>> C :: 173.646 CA :: 54.878 CB :: 37.150 CG :: 32.549 CE :: 17.127 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 :: 7.846 HA :: 4.552 HB2 :: 1.911 HB3 :: 1.673 HG2 :: 2.290 HG3 :: 1.903 HE1 :: 1.724 HE2 :: 1.724 HE3 :: 1.724 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 126.194 Ave N Shift Values>> N :: 120.1(3.88) 1.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.33 K 0.17 G 0.07 C Shift Assignments>> C :: 178.008 CA :: 53.993 CB :: 32.150 CG :: 27.324 CD :: 43.195 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.227 HA :: 4.597 HB2 :: 2.067 HB3 :: 1.966 HG2 :: 1.815 HG3 :: 1.611 HD2 :: 3.174 HD3 :: 3.171 HE :: 7.963 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.709 NE :: 115.974 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.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.37 R 0.09 M 0.02 G 0.01 C Shift Assignments>> C :: 176.917 CA :: 60.942 CB :: 33.765 CG :: 24.427 CD :: 30.135 CE :: 41.773 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.625 HA :: 3.802 HB2 :: 2.258 HB3 :: 1.988 HG2 :: 1.430 HG3 :: 1.430 HD2 :: 1.687 HD3 :: 1.687 HE2 :: 2.947 HE3 :: 2.744 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.757 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.21 Y 0.18 F 0.1 N 0.06 I 0.05 M 0.04 D 0.02 K 0.02 C Shift Assignments>> C :: 177.431 CA :: 56.574 CB :: 37.217 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 :: 8.880 HA :: 4.580 HB2 :: 2.788 HB3 :: 2.788 HD21 :: 7.734 HD22 :: 7.162 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 :: 114.827 ND2 :: 111.331 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.19 F 0.18 C 0.18 D 0.17 N 0.11 L 0.08 I 0.03 K 0.01 E 0.01 C Shift Assignments>> C :: 177.404 CA :: 55.874 CB :: 39.482 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.564 HA :: 4.595 HB2 :: 2.808 HB3 :: 2.808 HD21 :: 6.856 HD22 :: 7.696 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.373 ND2 :: 112.817 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.945 CA :: 65.978 CB :: 38.480 CG1 :: 29.473 CG2 :: 18.138 CD1 :: 13.782 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 :: 7.965 HA :: 3.449 HB :: 2.023 HG12 :: 1.000 HG13 :: 1.801 HG21 :: 0.914 HG22 :: 0.914 HG23 :: 0.914 HD11 :: 0.817 HD12 :: 0.817 HD13 :: 0.817 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.487 Ave N Shift Values>> N :: 121.6(4.72) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.33 E 0.14 C Shift Assignments>> C :: 177.949 CA :: 60.386 CB :: 29.388 CG :: 38.191 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 :: 8.492 HA :: 3.608 HB2 :: 2.263 HB3 :: 1.942 HG2 :: 2.595 HG3 :: 2.071 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.851 Ave N Shift Values>> N :: 120.68(3.68) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.741 CA :: 66.968 CB :: 68.738 CG2 :: 21.627 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 :: 7.764 HA :: 3.917 HB :: 4.227 HG21 :: 1.205 HG22 :: 1.205 HG23 :: 1.205 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.302 Ave N Shift Values>> N :: 115.7(5.05) 1.I111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.48 C Shift Assignments>> C :: 178.806 CA :: 63.090 CB :: 35.618 CG1 :: 27.130 CG2 :: 17.476 CD1 :: 9.531 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 :: 7.177 HA :: 3.558 HB :: 1.449 HG12 :: 1.082 HG13 :: 0.573 HG21 :: 0.011 HG22 :: 0.011 HG23 :: 0.011 HD11 :: -0.152 HD12 :: -0.152 HD13 :: -0.152 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 :: 121.487 Ave N Shift Values>> N :: 121.6(4.72) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 L 0.18 R 0.1 A 0.02 C Shift Assignments>> C :: 179.745 CA :: 58.158 CB :: 41.086 CG :: 27.042 CD1 :: 21.238 CD2 :: 26.640 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 :: 8.066 HA :: 3.828 HB2 :: 1.784 HB3 :: 1.190 HG :: 1.638 HD11 :: 0.459 HD12 :: 0.459 HD13 :: 0.459 HD21 :: 0.208 HD22 :: 0.208 HD23 :: 0.208 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.512 Ave N Shift Values>> N :: 121.98(4.07) 1.N113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.18 E 0.15 N 0.12 F 0.11 D 0.04 M 0.03 I 0.03 K 0.01 L 0.01 C Shift Assignments>> C :: 179.395 CA :: 55.904 CB :: 37.530 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 :: 8.894 HA :: 4.501 HB2 :: 2.995 HB3 :: 2.882 HD21 :: 7.180 HD22 :: 7.679 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 :: 119.392 ND2 :: 111.685 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.292 CA :: 61.628 CB :: 63.059 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.874 HA :: 4.335 HB2 :: 4.055 HB3 :: 4.180 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 :: 118.241 Ave N Shift Values>> N :: 116.3(3.95) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.26 R 0.06 G 0.03 A 0.03 C Shift Assignments>> C :: 177.140 CA :: 55.343 CB :: 42.623 CG :: 26.222 CD1 :: 25.717 CD2 :: 22.987 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 :: 7.519 HA :: 3.914 HB2 :: 1.662 HB3 :: 1.515 HG :: 1.159 HD11 :: 0.639 HD12 :: 0.639 HD13 :: 0.639 HD21 :: 0.208 HD22 :: 0.208 HD23 :: 0.208 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.333 Ave N Shift Values>> N :: 121.98(4.07) 1.G116 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 :: 174.765 CA :: 45.844 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.788 HA2 :: 4.111 HA3 :: 3.864 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.847 Ave N Shift Values>> N :: 109.91(4.29) 1.V117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 175.874 CA :: 62.699 CB :: 31.450 CG1 :: 22.064 CG2 :: 21.622 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.837 HA :: 4.105 HB :: 2.032 HG11 :: 1.018 HG12 :: 1.018 HG13 :: 1.018 HG21 :: 0.999 HG22 :: 0.999 HG23 :: 0.999 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 :: 120.803 Ave N Shift Values>> N :: 121.02(4.96) 1.K118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.39 R 0.14 M 0.02 C Shift Assignments>> C :: 176.593 CA :: 56.124 CB :: 33.562 CG :: 24.877 CD :: 28.800 CE :: 41.874 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 :: 8.313 HA :: 4.408 HB2 :: 1.931 HB3 :: 1.768 HG2 :: 1.496 HG3 :: 1.496 HD2 :: 1.704 HD3 :: 1.704 HE2 :: 3.040 HE3 :: 3.040 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 :: 126.335 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.11 K 0.06 I 0.05 Q 0.03 C Shift Assignments>> C :: 177.066 CA :: 56.917 CB :: 30.578 CG :: 36.341 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 :: 8.517 HA :: 4.264 HB2 :: 2.076 HB3 :: 2.013 HG2 :: 2.315 HG3 :: 2.315 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 :: 120.927 Ave N Shift Values>> N :: 120.68(3.68) 1.G120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.722 CA :: 45.314 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.467 HA2 :: 4.000 HA3 :: 4.000 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.356 Ave N Shift Values>> N :: 109.91(4.29) 1.H121 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H122 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H123 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H124 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H125 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H126 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 121 #Clerical: 0 #Suspicious: 4 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 119 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 7 Shift Relative Order (SRO) Results: #Consistent: 126 #Suspicious: 0 C Shift Results: #Consistent: 552 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 885 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 127 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 Error Summary: 1.N15 HD21 = 4.398(S), Expected = 7.27, Std = 0.5200, ChiSquare = 3.3311e-08 1.N15 ND2 = 103.904(A), Expected = 112.83, Std = 2.6000, ChiSquare = 5.9677e-04 1.D36 H = 10.780(S), Expected = 8.33, Std = 0.5700, ChiSquare = 1.7216e-05 1.Q45 HE21 = 5.404(S), Expected = 7.17, Std = 0.4600, ChiSquare = 1.2347e-04 1.N60 ND2 = 122.459(S), Expected = 112.83, Std = 2.6000, ChiSquare = 2.1268e-04 1.A80 HB1 = 0.467(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.6021e-04 1.A80 HB2 = 0.467(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.6021e-04 1.A80 HB3 = 0.467(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.6021e-04