Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.030 CA :: 57.579 CB :: 63.586 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.070 HA :: 4.151 HB2 :: 3.622 HB3 :: 3.496 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 :: 115.524 Ave N Shift Values>> N :: 116.3(3.95) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.114 CB :: 64.481 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.475 HB2 :: 3.760 HB3 :: 3.760 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.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.21 R 0.18 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> CA :: 44.428 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.192 HA2 :: 3.507 HA3 :: 4.362 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.695 Ave N Shift Values>> N :: 109.91(4.29) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.27 C Shift Assignments>> C :: 175.520 CA :: 62.850 CB :: 33.295 CG :: 27.531 CD :: 49.247 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 :: 4.468 HB2 :: 2.279 HB3 :: 2.076 HG2 :: 1.688 HG3 :: 1.568 HD2 :: 3.545 HD3 :: 3.284 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.G9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.023 CA :: 44.662 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.002 HA2 :: 4.212 HA3 :: 3.856 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.485 Ave N Shift Values>> N :: 109.91(4.29) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> C :: 177.623 CA :: 62.344 CB :: 31.655 CG :: 26.922 CD :: 49.184 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 :: 4.681 HB2 :: 2.046 HB3 :: 2.046 HG2 :: 2.076 HG3 :: 2.076 HD2 :: 3.741 HD3 :: 3.452 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.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.78 C 0.21 C Shift Assignments>> C :: 175.057 CA :: 63.389 CB :: 31.443 CG1 :: 22.961 CG2 :: 20.026 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 :: 8.558 HA :: 3.887 HB :: 2.584 HG11 :: 1.220 HG12 :: 1.220 HG13 :: 1.220 HG21 :: 0.949 HG22 :: 0.949 HG23 :: 0.949 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 :: 115.279 Ave N Shift Values>> N :: 121.02(4.96) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 E 0.35 Q 0.03 K 0.01 I 0.01 C Shift Assignments>> C :: 175.136 CA :: 55.012 CB :: 32.208 CG :: 36.165 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 :: 7.570 HA :: 4.492 HB2 :: 1.945 HB3 :: 1.682 HG2 :: 2.390 HG3 :: 2.239 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 :: 121.724 Ave N Shift Values>> N :: 120.68(3.68) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.24 Y 0.08 D 0.07 E 0.05 F 0.05 C Shift Assignments>> C :: 173.362 CA :: 53.175 CB :: 37.467 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 :: 8.784 HA :: 4.267 HB2 :: 2.911 HB3 :: 2.375 HD21 :: 7.615 HD22 :: 6.601 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 :: 116.921 ND2 :: 111.714 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.31 R 0.19 K 0.02 G 0.01 C Shift Assignments>> C :: 177.365 CA :: 55.869 CB :: 42.173 CG :: 27.364 CD1 :: 25.037 CD2 :: 26.699 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 :: 8.068 HA :: 4.834 HB2 :: 1.701 HB3 :: 1.182 HG :: 1.333 HD11 :: 0.362 HD12 :: 0.362 HD13 :: 0.362 HD21 :: 0.669 HD22 :: 0.669 HD23 :: 0.669 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.612 Ave N Shift Values>> N :: 121.98(4.07) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 Q 0.2 E 0.12 K 0.02 C Shift Assignments>> C :: 173.362 CA :: 54.787 CB :: 32.761 CG :: 34.004 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 :: 9.286 HA :: 4.602 HB2 :: 1.820 HB3 :: 1.946 HG2 :: 2.197 HG3 :: 2.135 HE21 :: 6.678 HE22 :: 7.419 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 :: 127.252 NE2 :: 111.893 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 L 0.31 C 0.19 K 0.02 C Shift Assignments>> C :: 175.009 CA :: 50.619 CB :: 22.502 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.561 HA :: 5.452 HB1 :: 1.050 HB2 :: 1.050 HB3 :: 1.050 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.498 Ave N Shift Values>> N :: 123.23(3.7) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.18 I 0.13 C Shift Assignments>> C :: 174.167 CA :: 59.677 CB :: 36.107 CG1 :: 20.340 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 :: 8.624 HA :: 4.466 HB :: 2.017 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 119.168 Ave N Shift Values>> N :: 121.02(4.96) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.770 CA :: 57.618 CB :: 63.521 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.198 HA :: 5.233 HB2 :: 3.877 HB3 :: 3.683 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 :: 120.072 Ave N Shift Values>> N :: 116.3(3.95) 1.T19 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 :: 174.540 CA :: 61.177 CB :: 69.192 CG2 :: 22.928 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 :: 8.180 HA :: 4.467 HB :: 4.439 HG21 :: 1.156 HG22 :: 1.156 HG23 :: 1.156 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 :: 117.031 Ave N Shift Values>> N :: 115.7(5.05) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D92 1.D92 C Shift Assignments>> C :: 170.837 CA :: 57.144 CB :: 63.835 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.402 HA :: 4.855 HB2 :: 4.310 HB3 :: 3.942 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.P21 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 :: 173.582 CA :: 65.046 CB :: 33.088 CG :: 27.910 CD :: 50.784 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 :: 4.896 HB2 :: 2.360 HB3 :: 1.840 HG2 :: 2.093 HG3 :: 1.600 HD2 :: 3.922 HD3 :: 3.766 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.T22 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> T 0.8 C 0.17 A 0.01 C Shift Assignments>> C :: 174.584 CA :: 58.820 CB :: 70.247 CG2 :: 20.859 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 :: 7.203 HA :: 4.430 HB :: 4.603 HG21 :: 1.051 HG22 :: 1.051 HG23 :: 1.051 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 :: 96.999(A) Ave N Shift Values>> N :: 115.7(5.05) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 S 0.04 C Shift Assignments>> C :: 173.373 CA :: 57.047 CB :: 68.584 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.585 HA :: 5.735 HB2 :: 3.669 HB3 :: 3.534 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 :: 113.660 Ave N Shift Values>> N :: 116.3(3.95) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 G 0.32 I 0.23 HN Overlap>> 1.N82 1.N82 C Shift Assignments>> C :: 172.725 CA :: 61.016 CB :: 43.887 CG1 :: 28.588 CG2 :: 17.930 CD1 :: 14.350 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 :: 8.512 HA :: 4.491 HB :: 1.381 HG12 :: 1.447 HG13 :: 0.654 HG21 :: 0.696 HG22 :: 0.696 HG23 :: 0.696 HD11 :: 0.538 HD12 :: 0.538 HD13 :: 0.538 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 :: 120.448 Ave N Shift Values>> N :: 121.6(4.72) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 L 0.3 C 0.23 R 0.07 A 0.05 C Shift Assignments>> C :: 175.311 CA :: 54.298 CB :: 44.507 CG :: 27.460 CD1 :: 22.787 CD2 :: 25.776 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 :: 9.273 HA :: 4.939 HB2 :: 1.915 HB3 :: 1.285 HG :: 1.370 HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 HD21 :: 0.778 HD22 :: 0.778 HD23 :: 0.778 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 :: 129.089 Ave N Shift Values>> N :: 121.98(4.07) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 I 0.22 V 0.03 C Shift Assignments>> C :: 174.815 CA :: 60.067 CB :: 40.920 CG1 :: 29.393 CG2 :: 19.719 CD1 :: 16.931 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 :: 9.370 HA :: 5.320 HB :: 1.987 HG12 :: 1.692 HG13 :: 1.014 HG21 :: 0.832 HG22 :: 0.832 HG23 :: 0.832 HD11 :: 0.935 HD12 :: 0.935 HD13 :: 0.935 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 :: 130.229 Ave N Shift Values>> N :: 121.6(4.72) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.19 C Shift Assignments>> C :: 172.788 CA :: 60.241 CB :: 72.050 CG2 :: 21.146 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 :: 9.086 HA :: 4.827 HB :: 4.178 HG21 :: 1.041 HG22 :: 1.041 HG23 :: 1.041 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 :: 116.631 Ave N Shift Values>> N :: 115.7(5.05) 1.W28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 172.402 CA :: 57.155 CB :: 30.462 CD1 :: 125.523 CE3 :: 122.002 CZ2 :: 113.953 CZ3 :: 120.591 CH2 :: 123.647 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 :: 7.533 HA :: 4.840 HB2 :: 3.071 HB3 :: 2.713 HD1 :: 6.368 HE3 :: 6.476 HZ2 :: 6.637 HZ3 :: 6.492 HH2 :: 6.597 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 :: 117.658 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 E 0.33 K 0.04 Q 0.01 I 0.01 C Shift Assignments>> C :: 173.232 CA :: 53.106 CB :: 30.558 CG :: 36.902 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 :: 8.621 HA :: 4.732 HB2 :: 1.641 HB3 :: 2.133 HG2 :: 2.323 HG3 :: 2.168 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 :: 117.052 Ave N Shift Values>> N :: 120.68(3.68) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.33 C Shift Assignments>> CA :: 61.813 CB :: 30.665 CG :: 27.983 CD :: 50.542 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 :: 5.034 HB2 :: 2.543 HB3 :: 1.864 HG2 :: 2.155 HG3 :: 2.037 HD2 :: 3.759 HD3 :: 3.625 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.P31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> C :: 176.814 CA :: 62.188 CB :: 32.529 CG :: 28.424 CD :: 50.555 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 :: 4.658 HB2 :: 2.028 HB3 :: 1.631 HG2 :: 1.809 HG3 :: 1.760 HD2 :: 4.100 HD3 :: 3.732 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.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 C 0.03 C Shift Assignments>> C :: 178.350 CA :: 53.308 CB :: 18.726 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.997 HA :: 4.145 HB1 :: 1.390 HB2 :: 1.390 HB3 :: 1.390 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.418 Ave N Shift Values>> N :: 123.23(3.7) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 174.777 CA :: 57.656 CB :: 38.750 CD1 :: 133.401 CD2 :: 133.401 CE1 :: 118.049 CE2 :: 118.049 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 :: 8.012 HA :: 4.548 HB2 :: 3.006 HB3 :: 2.949 HD1 :: 7.093 HD2 :: 7.093 HE1 :: 6.811 HE2 :: 6.811 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 :: 117.788 Ave N Shift Values>> N :: 120.79(4.69) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 C 0.05 L 0.05 HN Overlap>> 1.E66 1.E66 C Shift Assignments>> C :: 176.324 CA :: 52.969 CB :: 20.239 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.185 HA :: 4.164 HB1 :: 1.362 HB2 :: 1.362 HB3 :: 1.362 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.870 Ave N Shift Values>> N :: 123.23(3.7) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 C 0.22 Y 0.09 D 0.09 F 0.06 E 0.05 L 0.01 C Shift Assignments>> C :: 174.455 CA :: 53.535 CB :: 37.740 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 :: 8.160 HA :: 4.542 HB2 :: 2.897 HB3 :: 2.676 HD21 :: 6.834 HD22 :: 7.477 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 :: 116.647 ND2 :: 112.884 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.24 C 0.1 D 0.03 F 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 171.128 CA :: 44.000 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.670 HA2 :: 3.992 HA3 :: 4.267 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.251 Ave N Shift Values>> N :: 109.91(4.29) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.176 CA :: 62.864 CB :: 32.199 CG :: 27.414 CD :: 49.760 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 :: 4.373 HB2 :: 2.280 HB3 :: 1.820 HG2 :: 2.029 HG3 :: 2.029 HD2 :: 3.673 HD3 :: 3.608 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.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 176.701 CA :: 63.762 CB :: 32.696 CG1 :: 21.941 CG2 :: 22.331 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 :: 8.593 HA :: 3.644 HB :: 1.935 HG11 :: 0.601 HG12 :: 0.601 HG13 :: 0.601 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 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 :: 122.288 Ave N Shift Values>> N :: 121.02(4.96) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.28 E 0.21 K 0.16 R 0.01 C Shift Assignments>> C :: 175.031 CA :: 56.121 CB :: 30.684 CG :: 34.243 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 :: 8.580 HA :: 4.210 HB2 :: 1.834 HB3 :: 1.630 HG2 :: 2.256 HG3 :: 2.256 HE21 :: 7.226 HE22 :: 6.708 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 :: 126.278 NE2 :: 110.314 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.22 R 0.19 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 168.491 CA :: 44.396 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.547 HA2 :: 3.777 HA3 :: 3.692 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.588 Ave N Shift Values>> N :: 109.91(4.29) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 C 0.48 G 0.01 C Shift Assignments>> C :: 174.404 CA :: 56.077 CB :: 41.946 CD1 :: 134.163 CD2 :: 134.163 CE1 :: 118.084 CE2 :: 118.084 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 :: 7.963 HA :: 5.048 HB2 :: 2.381 HB3 :: 2.162 HD1 :: 6.891 HD2 :: 6.891 HE1 :: 6.926 HE2 :: 6.926 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 :: 114.724 Ave N Shift Values>> N :: 120.79(4.69) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.23 R 0.22 G 0.09 C Shift Assignments>> C :: 171.439 CA :: 55.314 CB :: 33.823 CG :: 28.074 CD :: 43.412 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 :: 8.965 HA :: 4.696 HB2 :: 1.290 HB3 :: 1.290 HG2 :: 0.930 HG3 :: 1.152 HD2 :: 2.907 HD3 :: 2.809 HE :: 7.057 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 :: 121.193 NE :: 84.685 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.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 C 0.17 L 0.08 R 0.03 C Shift Assignments>> C :: 173.966 CA :: 52.692 CB :: 45.254 CG :: 27.645 CD1 :: 24.399 CD2 :: 27.703 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 :: 8.436 HA :: 4.762 HB2 :: 1.551 HB3 :: 1.095 HG :: 1.375 HD11 :: 0.998 HD12 :: 0.998 HD13 :: 0.998 HD21 :: 0.791 HD22 :: 0.791 HD23 :: 0.791 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 :: 124.350 Ave N Shift Values>> N :: 121.98(4.07) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.38 C Shift Assignments>> C :: 175.216 CA :: 55.904 CB :: 40.389 CD1 :: 132.207 CD2 :: 132.207 CE1 :: 130.805 CE2 :: 130.805 CZ :: 129.044 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 :: 9.045 HA :: 5.237 HB2 :: 2.920 HB3 :: 2.892 HD1 :: 6.987 HD2 :: 6.987 HE1 :: 7.048 HE2 :: 7.048 HZ :: 7.087 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 :: 124.164 Ave N Shift Values>> N :: 120.69(4.18) 1.C45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.17 Q 0.16 R 0.16 C 0.12 W 0.12 E 0.11 L 0.07 I 0.05 C Shift Assignments>> C :: 173.862 CA :: 57.110 CB :: 28.203 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.982 HA :: 5.317 HB2 :: 2.815 HB3 :: 2.170 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 :: 124.280 Ave N Shift Values>> N :: 119.95(4.79) 1.T46 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 :: 173.688 CA :: 61.794 CB :: 70.637 CG2 :: 20.889 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 :: 9.768 HA :: 5.217 HB :: 4.057 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 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 :: 128.634 Ave N Shift Values>> N :: 115.7(5.05) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.37 K 0.11 Q 0.06 I 0.04 C Shift Assignments>> C :: 175.660 CA :: 55.951 CB :: 29.839 CG :: 36.214 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 :: 8.805 HA :: 4.088 HB2 :: 2.388 HB3 :: 1.962 HG2 :: 1.963 HG3 :: 1.803 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 130.371 Ave N Shift Values>> N :: 120.68(3.68) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 178.631 CA :: 67.355 CB :: 31.575 CG1 :: 23.151 CG2 :: 20.684 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 :: 7.649 HA :: 3.393 HB :: 1.748 HG11 :: 0.871 HG12 :: 0.871 HG13 :: 0.871 HG21 :: 0.799 HG22 :: 0.799 HG23 :: 0.799 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 :: 131.057 Ave N Shift Values>> N :: 121.02(4.96) 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 :: 175.700 CA :: 61.091 CB :: 62.649 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.388 HA :: 4.127 HB2 :: 3.896 HB3 :: 3.896 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 :: 113.177 Ave N Shift Values>> N :: 116.3(3.95) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 176.461 CA :: 61.248 CB :: 70.980 CG2 :: 21.302 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 :: 6.965 HA :: 4.492 HB :: 4.292 HG21 :: 1.147 HG22 :: 1.147 HG23 :: 1.147 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 :: 107.060 Ave N Shift Values>> N :: 115.7(5.05) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.014 CA :: 45.595 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.537 HA2 :: 4.162 HA3 :: 3.567 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.992 Ave N Shift Values>> N :: 109.91(4.29) 1.K52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.21 G 0.01 C Shift Assignments>> C :: 175.781 CA :: 57.522 CB :: 32.691 CG :: 25.072 CD :: 29.011 CE :: 42.231 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 :: 7.765 HA :: 4.218 HB2 :: 1.866 HB3 :: 1.795 HG2 :: 1.402 HG3 :: 1.455 HD2 :: 1.734 HD3 :: 1.734 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 :: 121.077 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 E 0.12 C Shift Assignments>> C :: 176.011 CA :: 55.424 CB :: 33.993 CG :: 37.123 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 :: 8.897 HA :: 5.259 HB2 :: 1.965 HB3 :: 2.063 HG2 :: 2.293 HG3 :: 2.141 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 :: 128.780 Ave N Shift Values>> N :: 120.68(3.68) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 Q 0.22 E 0.14 K 0.02 C Shift Assignments>> C :: 173.730 CA :: 54.967 CB :: 32.604 CG :: 34.007 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 :: 8.983 HA :: 4.730 HB2 :: 2.038 HB3 :: 1.924 HG2 :: 2.307 HG3 :: 2.307 HE21 :: 6.605 HE22 :: 7.572 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.414 NE2 :: 109.842 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.24 L 0.13 C 0.12 K 0.04 F 0.04 Y 0.03 R 0.01 C Shift Assignments>> C :: 173.940 CA :: 51.911 CB :: 40.940 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 :: 8.624 HA :: 5.279 HB2 :: 2.467 HB3 :: 2.168 HD21 :: 7.378 HD22 :: 6.598 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 :: 122.058 ND2 :: 111.452 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.44 G 0.06 C Shift Assignments>> C :: 174.312 CA :: 60.322 CB :: 42.723 CG1 :: 27.645 CG2 :: 17.654 CD1 :: 14.470 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 :: 8.808 HA :: 4.223 HB :: 1.395 HG12 :: 1.237 HG13 :: 0.945 HG21 :: 0.644 HG22 :: 0.644 HG23 :: 0.644 HD11 :: 0.750 HD12 :: 0.750 HD13 :: 0.750 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 :: 123.792 Ave N Shift Values>> N :: 121.6(4.72) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.39 K 0.09 I 0.05 Q 0.03 C Shift Assignments>> C :: 175.848 CA :: 56.027 CB :: 29.893 CG :: 36.541 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 :: 8.320 HA :: 4.742 HB2 :: 2.091 HB3 :: 1.881 HG2 :: 2.312 HG3 :: 2.125 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 :: 126.793 Ave N Shift Values>> N :: 120.68(3.68) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.36 C Shift Assignments>> C :: 173.753 CA :: 59.691 CB :: 35.781 CG1 :: 21.814 CG2 :: 20.897 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 :: 8.378 HA :: 4.670 HB :: 2.066 HG11 :: 0.216 HG12 :: 0.216 HG13 :: 0.216 HG21 :: 0.462 HG22 :: 0.462 HG23 :: 0.462 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 :: 118.410 Ave N Shift Values>> N :: 121.02(4.96) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.17 G 0.17 D 0.13 C 0.12 K 0.03 F 0.02 Y 0.01 N 0.01 C Shift Assignments>> CA :: 52.967 CB :: 43.597 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 :: 8.267 HA :: 5.291 HB2 :: 2.934 HB3 :: 2.865 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 :: 120.203 Ave N Shift Values>> N :: 120.73(4.2) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> CA :: 45.543 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.619 HA2 :: 3.786 HA3 :: 4.265 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.55 C 0.23 A 0.14 R 0.05 G 0.01 C Shift Assignments>> C :: 174.705 CA :: 54.129 CB :: 41.889 CG :: 26.727 CD1 :: 25.715 CD2 :: 22.013 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.567 HB2 :: 1.596 HB3 :: 1.596 HG :: 1.235 HD11 :: 0.824 HD12 :: 0.824 HD13 :: 0.824 HD21 :: 0.595 HD22 :: 0.595 HD23 :: 0.595 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.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.414 CA :: 56.816 CB :: 65.432 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.759 HA :: 4.800 HB2 :: 3.544 HB3 :: 3.544 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.493 Ave N Shift Values>> N :: 116.3(3.95) 1.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.33 G 0.02 C Shift Assignments>> C :: 171.966 CA :: 59.343 CB :: 42.342 CD1 :: 132.596 CD2 :: 132.596 CE1 :: 118.516 CE2 :: 118.516 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 :: 9.541 HA :: 4.629 HB2 :: 3.477 HB3 :: 2.715 HD1 :: 7.092 HD2 :: 7.092 HE1 :: 6.755 HE2 :: 6.755 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 :: 123.324 Ave N Shift Values>> N :: 120.79(4.69) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.35 R 0.17 C Shift Assignments>> C :: 173.302 CA :: 54.573 CB :: 33.286 CG :: 25.225 CD :: 29.467 CE :: 41.776 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 :: 7.544 HA :: 4.808 HB2 :: 1.592 HB3 :: 1.341 HG2 :: 1.041 HG3 :: 1.041 HD2 :: 1.530 HD3 :: 1.530 HE2 :: 2.838 HE3 :: 2.776 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 :: 129.094 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.25 R 0.14 G 0.11 C Shift Assignments>> C :: 174.592 CA :: 54.314 CB :: 43.348 CG :: 26.917 CD1 :: 24.331 CD2 :: 26.749 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 :: 8.954 HA :: 4.338 HB2 :: 1.835 HB3 :: 1.310 HG :: 1.489 HD11 :: 0.989 HD12 :: 0.989 HD13 :: 0.989 HD21 :: 0.860 HD22 :: 0.860 HD23 :: 0.860 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 :: 129.750 Ave N Shift Values>> N :: 121.98(4.07) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 E 0.24 Q 0.01 HN Overlap>> 1.A34 1.A34 C Shift Assignments>> C :: 176.418 CA :: 54.334 CB :: 32.921 CG :: 36.479 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 :: 8.199 HA :: 4.928 HB2 :: 2.056 HB3 :: 1.720 HG2 :: 2.139 HG3 :: 1.957 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 :: 124.773 Ave N Shift Values>> N :: 120.68(3.68) 1.G67 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 :: 175.440 CA :: 46.030 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.906 HA2 :: 3.976 HA3 :: 3.834 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.672 Ave N Shift Values>> N :: 109.91(4.29) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 C 0.2 L 0.06 C Shift Assignments>> C :: 174.928 CA :: 53.206 CB :: 40.958 CG :: 26.169 CD1 :: 26.051 CD2 :: 19.440 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 :: 8.302 HA :: 4.218 HB2 :: 1.480 HB3 :: 1.055 HG :: 1.083 HD11 :: 0.090 HD12 :: 0.090 HD13 :: 0.090 HD21 :: 0.152 HD22 :: 0.152 HD23 :: 0.152 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.646 Ave N Shift Values>> N :: 121.98(4.07) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.33 R 0.28 G 0.01 C Shift Assignments>> C :: 176.062 CA :: 55.666 CB :: 34.862 CG :: 25.539 CD :: 29.906 CE :: 42.167 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 :: 8.064 HA :: 4.356 HB2 :: 1.808 HB3 :: 1.731 HG2 :: 1.552 HG3 :: 1.404 HD2 :: 1.678 HD3 :: 1.678 HE2 :: 2.963 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 :: 118.748 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.17 C Shift Assignments>> C :: 177.378 CA :: 56.354 CB :: 33.397 CG :: 24.624 CD :: 29.906 CE :: 41.951 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 :: 8.041 HA :: 5.000 HB2 :: 1.826 HB3 :: 1.739 HG2 :: 1.368 HG3 :: 1.523 HD2 :: 1.687 HD3 :: 1.687 HE2 :: 2.957 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 :: 120.282 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.33 C 0.28 C Shift Assignments>> C :: 174.452 CA :: 56.400 CB :: 39.146 CD1 :: 131.174 CD2 :: 131.174 CZ :: 128.910 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 :: 7.948 HA :: 4.668 HB2 :: 3.395 HB3 :: 2.571 HD1 :: 7.329 HD2 :: 7.329 HZ :: 7.229 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 :: 131.148 Ave N Shift Values>> N :: 120.69(4.18) 1.T72 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 :: 171.378 CA :: 62.718 CB :: 71.680 CG2 :: 20.675 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 :: 8.675 HA :: 4.343 HB :: 3.865 HG21 :: 0.770 HG22 :: 0.770 HG23 :: 0.770 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 :: 116.735 Ave N Shift Values>> N :: 115.7(5.05) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 E 0.44 I 0.04 K 0.03 Q 0.02 C Shift Assignments>> C :: 174.839 CA :: 56.437 CB :: 31.194 CG :: 36.506 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 :: 8.112 HA :: 4.518 HB2 :: 1.840 HB3 :: 1.761 HG2 :: 2.008 HG3 :: 1.918 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 :: 125.731 Ave N Shift Values>> N :: 120.68(3.68) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.4 G 0.01 C Shift Assignments>> C :: 174.018 CA :: 57.731 CB :: 42.009 CD1 :: 133.680 CD2 :: 133.680 CE1 :: 118.051 CE2 :: 118.051 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 :: 9.359 HA :: 5.273 HB2 :: 2.896 HB3 :: 2.564 HD1 :: 6.968 HD2 :: 6.968 HE1 :: 6.767 HE2 :: 6.767 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 :: 127.022 Ave N Shift Values>> N :: 120.79(4.69) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.621 CA :: 55.943 CB :: 64.515 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.320 HA :: 5.387 HB2 :: 3.601 HB3 :: 3.601 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 :: 115.138 Ave N Shift Values>> N :: 116.3(3.95) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.29 C 0.2 R 0.06 C Shift Assignments>> C :: 175.566 CA :: 53.647 CB :: 44.863 CG :: 27.875 CD1 :: 26.189 CD2 :: 24.969 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 :: 9.632 HA :: 5.696 HB2 :: 1.756 HB3 :: 1.392 HG :: 1.753 HD11 :: 0.770 HD12 :: 0.770 HD13 :: 0.770 HD21 :: 0.817 HD22 :: 0.817 HD23 :: 0.817 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 :: 128.051 Ave N Shift Values>> N :: 121.98(4.07) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.23 R 0.22 G 0.09 C Shift Assignments>> C :: 174.435 CA :: 55.452 CB :: 33.914 CG :: 27.804 CD :: 43.369 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 :: 8.688 HA :: 4.847 HB2 :: 1.834 HB3 :: 1.729 HG2 :: 1.597 HG3 :: 1.468 HD2 :: 3.019 HD3 :: 3.019 HE :: 7.035 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 :: 118.324 NE :: 83.804 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.F78 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 C 0.38 F 0.05 C Shift Assignments>> C :: 174.338 CA :: 57.406 CB :: 47.030(S) CD1 :: 130.337 CD2 :: 130.337 CE1 :: 129.106 CE2 :: 129.106 CZ :: 129.799 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 :: 8.450 HA :: 5.612 HB2 :: 2.812 HB3 :: 2.499 HD1 :: 6.650 HD2 :: 6.650 HE1 :: 5.784 HE2 :: 5.784 HZ :: 4.324 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.533 Ave N Shift Values>> N :: 120.69(4.18) SRO Rule Breaks>> (HZ > HA : 0.9931) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.29 L 0.12 R 0.07 C Shift Assignments>> C :: 173.337 CA :: 54.964 CB :: 45.062 CG :: 25.884 CD1 :: 25.876 CD2 :: 27.720 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 :: 8.365 HA :: 4.798 HB2 :: 1.803 HB3 :: 1.553 HG :: 1.752 HD11 :: 0.848 HD12 :: 0.848 HD13 :: 0.848 HD21 :: 0.934 HD22 :: 0.934 HD23 :: 0.934 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 :: 123.463 Ave N Shift Values>> N :: 121.98(4.07) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 L 0.27 C 0.24 K 0.02 G 0.01 C Shift Assignments>> C :: 175.462 CA :: 49.815 CB :: 22.638 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.250 HA :: 4.867 HB1 :: 1.260 HB2 :: 1.260 HB3 :: 1.260 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.356 Ave N Shift Values>> N :: 123.23(3.7) 1.Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.37 G 0.02 C Shift Assignments>> C :: 173.878 CA :: 56.091 CB :: 42.241 CD1 :: 133.168 CD2 :: 133.168 CE1 :: 117.871 CE2 :: 117.871 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 :: 8.018 HA :: 5.041 HB2 :: 2.849 HB3 :: 2.517 HD1 :: 6.481 HD2 :: 6.481 HE1 :: 6.412 HE2 :: 6.412 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 :: 113.824 Ave N Shift Values>> N :: 120.79(4.69) 1.N82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 D 0.31 C 0.13 L 0.08 F 0.04 Y 0.03 K 0.01 HN Overlap>> 1.I24 1.I24 C Shift Assignments>> C :: 175.798 CA :: 51.436 CB :: 40.248 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 :: 8.424 HA :: 4.617 HB2 :: 2.749 HB3 :: 3.488 HD21 :: 7.714 HD22 :: 7.647 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.427 ND2 :: 109.924 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 R 0.3 K 0.21 L 0.09 G 0.06 C Shift Assignments>> C :: 176.471 CA :: 58.349 CB :: 29.116 CG :: 25.666 CD :: 43.319 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 :: 8.519 HA :: 4.036 HB2 :: 1.636 HB3 :: 1.449 HG2 :: 1.160 HG3 :: 0.578(S) HD2 :: 2.900 HD3 :: 2.900 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 :: 116.224 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.Y84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> C :: 176.114 CA :: 58.712 CB :: 37.915 CD1 :: 133.024 CD2 :: 133.024 CE1 :: 118.229 CE2 :: 118.229 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 :: 7.890 HA :: 4.475 HB2 :: 3.119 HB3 :: 2.772 HD1 :: 7.094 HD2 :: 7.094 HE1 :: 6.797 HE2 :: 6.797 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.741 Ave N Shift Values>> N :: 120.79(4.69) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 170.484 CA :: 44.898 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.944 HA2 :: 4.661 HA3 :: 3.937 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.072 Ave N Shift Values>> N :: 109.91(4.29) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 177.772 CA :: 62.489 CB :: 33.107 CG :: 26.746 CD :: 49.813 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 :: 4.469 HB2 :: 2.121 HB3 :: 2.121 HG2 :: 2.129 HG3 :: 2.006 HD2 :: 3.769 HD3 :: 3.573 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.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.23 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 172.737 CA :: 44.326 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.770 HA2 :: 4.382 HA3 :: 4.060 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.709 Ave N Shift Values>> N :: 109.91(4.29) 1.V88 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 :: 177.271 CA :: 62.805 CB :: 33.112 CG1 :: 21.229 CG2 :: 21.526 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 :: 7.379 HA :: 3.850 HB :: 1.642 HG11 :: 1.060 HG12 :: 1.060 HG13 :: 1.060 HG21 :: 1.131 HG22 :: 1.131 HG23 :: 1.131 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 :: 117.643 Ave N Shift Values>> N :: 121.02(4.96) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.843 CA :: 58.387 CB :: 64.489 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.799 HA :: 4.848 HB2 :: 3.786 HB3 :: 3.786 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 :: 123.073 Ave N Shift Values>> N :: 116.3(3.95) 1.T90 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 :: 174.988 CA :: 63.053 CB :: 70.645 CG2 :: 22.327 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 :: 8.641 HA :: 4.478 HB :: 4.492 HG21 :: 1.466 HG22 :: 1.466 HG23 :: 1.466 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 :: 117.705 Ave N Shift Values>> N :: 115.7(5.05) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.21 K 0.16 C 0.1 R 0.1 F 0.06 Y 0.05 N 0.04 C Shift Assignments>> C :: 175.500 CA :: 54.434 CB :: 41.972 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 :: 8.504 HA :: 4.779 HB2 :: 2.754 HB3 :: 2.537 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 :: 122.479 Ave N Shift Values>> N :: 120.73(4.2) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.15 C 0.13 F 0.12 Y 0.11 N 0.11 K 0.08 R 0.01 I 0.01 HN Overlap>> 1.S20 1.S20 C Shift Assignments>> C :: 176.193 CA :: 55.035 CB :: 40.495 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 :: 8.414 HA :: 4.593 HB2 :: 2.537 HB3 :: 2.495 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 :: 119.111 Ave N Shift Values>> N :: 120.73(4.2) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.488 CA :: 60.226 CB :: 39.973 CG1 :: 26.740 CG2 :: 17.420 CD1 :: 13.513 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 :: 8.752 HA :: 4.417 HB :: 1.858 HG12 :: 1.485 HG13 :: 1.124 HG21 :: 0.864 HG22 :: 0.864 HG23 :: 0.864 HD11 :: 0.760 HD12 :: 0.760 HD13 :: 0.760 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 :: 121.917 Ave N Shift Values>> N :: 121.6(4.72) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.555 CA :: 61.754 CB :: 70.136 CG2 :: 21.822 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 :: 8.565 HA :: 5.279 HB :: 4.013 HG21 :: 1.138 HG22 :: 1.138 HG23 :: 1.138 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 :: 121.833 Ave N Shift Values>> N :: 115.7(5.05) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 V 0.41 C Shift Assignments>> C :: 172.927 CA :: 61.096 CB :: 36.331 CG1 :: 22.026 CG2 :: 22.026 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 :: 9.189 HA :: 4.351 HB :: 1.858 HG11 :: 0.815 HG12 :: 0.815 HG13 :: 0.815 HG21 :: 0.815 HG22 :: 0.815 HG23 :: 0.815 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 :: 126.727 Ave N Shift Values>> N :: 121.02(4.96) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 177.269 CA :: 59.947 CB :: 32.752 CG1 :: 20.629 CG2 :: 21.293 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 :: 8.382 HA :: 4.954 HB :: 1.843 HG11 :: 0.737 HG12 :: 0.737 HG13 :: 0.737 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 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 :: 127.317 Ave N Shift Values>> N :: 121.02(4.96) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.56 C 0.43 C Shift Assignments>> C :: 176.101 CA :: 61.305 CB :: 69.933 CG2 :: 24.269 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 :: 8.800 HA :: 4.577 HB :: 4.767 HG21 :: 1.248 HG22 :: 1.248 HG23 :: 1.248 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 :: 117.580 Ave N Shift Values>> N :: 115.7(5.05) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.27 A 0.12 R 0.05 G 0.02 C Shift Assignments>> C :: 176.481 CA :: 55.441 CB :: 42.388 CG :: 26.235 CD1 :: 25.542 CD2 :: 21.592 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 :: 7.039 HA :: 4.282 HB2 :: 1.678 HB3 :: 1.099 HG :: 1.647 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 HD21 :: 0.927 HD22 :: 0.927 HD23 :: 0.927 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 :: 114.977 Ave N Shift Values>> N :: 121.98(4.07) 1.S99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.709 CA :: 57.494 CB :: 64.272 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.008 HA :: 4.492 HB2 :: 3.533 HB3 :: 3.409 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 :: 110.757 Ave N Shift Values>> N :: 116.3(3.95) 1.D100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 D 0.23 K 0.14 C 0.1 R 0.09 F 0.05 N 0.05 Y 0.04 C Shift Assignments>> C :: 175.981 CA :: 53.966 CB :: 42.026 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 :: 8.245 HA :: 4.665 HB2 :: 2.652 HB3 :: 2.652 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 :: 120.531 Ave N Shift Values>> N :: 120.73(4.2) 1.S101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.620 CA :: 58.418 CB :: 63.935 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.329 HA :: 4.457 HB2 :: 3.860 HB3 :: 3.860 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 :: 115.744 Ave N Shift Values>> N :: 116.3(3.95) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.854 CA :: 44.649 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.289 HA2 :: 4.085 HA3 :: 4.085 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.773 Ave N Shift Values>> N :: 109.91(4.29) 1.P103 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 :: 177.400 CA :: 63.352 CB :: 32.177 CG :: 27.193 CD :: 49.785 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 :: 4.457 HB2 :: 2.277 HB3 :: 1.958 HG2 :: 2.010 HG3 :: 2.010 HD2 :: 3.608 HD3 :: 3.608 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.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.660 CA :: 58.356 CB :: 64.002 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.517 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.452 Ave N Shift Values>> N :: 116.3(3.95) 1.S105 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G106 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 103 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 100 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 105 #Suspicious: 1 C Shift Results: #Consistent: 433 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 670 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 97 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.T22 N = 96.999(A), Expected = 115.70, Std = 5.0500, ChiSquare = 2.1292e-04 1.F78 CB = 47.030(S), Expected = 39.95, Std = 2.0400, ChiSquare = 5.1932e-04 1.F78 SRO Rule Break>> HZ > HA : 0.993127147766323 1.R83 HG3 = 0.578(S), Expected = 1.58, Std = 0.2700, ChiSquare = 2.0635e-04