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.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.819 CA :: 58.373 CB :: 63.267 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.359 HB2 :: 3.845 HB3 :: 3.788 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.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.19 N 0.15 K 0.1 F 0.08 Y 0.07 R 0.02 C Shift Assignments>> C :: 175.254 CA :: 53.736 CB :: 41.011 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 :: 8.228 HA :: 4.603 HB2 :: 2.665 HB3 :: 2.624 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 :: 121.370 Ave N Shift Values>> N :: 120.73(4.2) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 D 0.17 Y 0.1 F 0.07 E 0.02 L 0.02 M 0.01 C Shift Assignments>> C :: 174.172 CA :: 53.237 CB :: 38.302 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 :: 8.092 HA :: 4.617 HB2 :: 2.526 HB3 :: 2.714 HD21 :: 7.019 HD22 :: 7.268 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 :: 119.082 ND2 :: 110.912 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.17 Y 0.09 F 0.06 L 0.02 E 0.02 M 0.01 C Shift Assignments>> C :: 174.942 CA :: 52.973 CB :: 38.338 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 :: 8.390 HA :: 4.898 HB2 :: 3.491 HB3 :: 2.519 HD21 :: 7.928 HD22 :: 7.208 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 :: 118.497 ND2 :: 112.953 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.486 CA :: 61.970 CB :: 70.917 CG2 :: 20.929 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 :: 8.455 HA :: 5.536 HB :: 4.129 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 :: 118.651 Ave N Shift Values>> N :: 115.7(5.05) 1.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> C :: 173.444 CA :: 59.047 CB :: 39.621 CG1 :: 26.039 CG2 :: 18.727 CD1 :: 13.477 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 :: 8.813 HA :: 5.183 HB :: 1.858 HG12 :: 1.289 HG13 :: 1.218 HG21 :: 0.830 HG22 :: 0.830 HG23 :: 0.830 HD11 :: 0.256 HD12 :: 0.256 HD13 :: 0.256 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 :: 118.715 Ave N Shift Values>> N :: 121.6(4.72) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 G 0.01 C Shift Assignments>> C :: 173.340 CA :: 55.055 CB :: 41.617 CD1 :: 131.484 CD2 :: 131.378 CE1 :: 131.287 CE2 :: 131.058 CZ :: 129.398 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 :: 9.540 HA :: 5.406 HB2 :: 2.820 HB3 :: 2.709 HD1 :: 7.109 HD2 :: 7.109 HE1 :: 7.014 HE2 :: 7.014 HZ :: 7.034 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 :: 123.742 Ave N Shift Values>> N :: 120.69(4.18) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.382 CA :: 59.546 CB :: 34.488 CG1 :: 22.072 CG2 :: 21.302 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 :: 8.936 HA :: 4.958 HB :: 1.637 HG11 :: 0.870 HG12 :: 0.870 HG13 :: 0.870 HG21 :: 0.672 HG22 :: 0.672 HG23 :: 0.672 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 :: 127.849 Ave N Shift Values>> N :: 121.02(4.96) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.79 E 0.13 Q 0.06 C Shift Assignments>> C :: 174.713 CA :: 53.701 CB :: 33.989 CG :: 35.048 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 :: 8.724 HA :: 4.758 HB2 :: 2.112 HB3 :: 1.759 HG2 :: 1.974 HG3 :: 1.647 HE21 :: 7.948 HE22 :: 7.009 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 :: 113.516 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 R 0.06 F 0.01 C Shift Assignments>> C :: 174.921 CA :: 45.075 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.213 HA2 :: 3.736 HA3 :: 4.531 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.032 Ave N Shift Values>> N :: 109.91(4.29) 1.L21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.64 A 0.24 R 0.07 G 0.02 C Shift Assignments>> C :: 176.190 CA :: 55.376 CB :: 42.222 CG :: 26.054 CD1 :: 26.054 CD2 :: 21.306 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 :: 8.468 HA :: 3.690 HB2 :: 1.156 HB3 :: 1.154 HG :: 1.101 HD11 :: 0.281 HD12 :: 0.281 HD13 :: 0.281 HD21 :: -0.186(S) HD22 :: -0.186(S) HD23 :: -0.186(S) 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 :: 117.629 Ave N Shift Values>> N :: 121.98(4.07) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.3 G 0.15 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 172.550 CA :: 43.684 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.995 HA2 :: 3.775 HA3 :: 4.107 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.722 Ave N Shift Values>> N :: 109.91(4.29) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.49 M 0.16 K 0.15 Q 0.12 I 0.06 C Shift Assignments>> C :: 176.398 CA :: 56.909 CB :: 30.218 CG :: 35.845 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 :: 8.114 HA :: 4.113 HB2 :: 2.004 HB3 :: 2.059 HG2 :: 2.336 HG3 :: 2.252 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 :: 113.440 Ave N Shift Values>> N :: 120.68(3.68) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.67 D 0.16 Y 0.06 F 0.04 L 0.02 E 0.01 C Shift Assignments>> C :: 174.443 CA :: 52.061 CB :: 38.338 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 :: 8.390 HA :: 4.946 HB2 :: 2.910 HB3 :: 2.721 HD21 :: 6.995 HD22 :: 7.630 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 :: 116.515 ND2 :: 113.382 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.633 CA :: 61.578 CB :: 32.180 CG1 :: 21.068 CG2 :: 22.472 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 :: 6.842 HA :: 4.148 HB :: 1.992 HG11 :: 0.792 HG12 :: 0.792 HG13 :: 0.792 HG21 :: 0.818 HG22 :: 0.818 HG23 :: 0.818 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 :: 118.188 Ave N Shift Values>> N :: 121.02(4.96) 1.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 A 0.08 C Shift Assignments>> C :: 174.983 CA :: 58.370 CB :: 72.735 CG2 :: 21.582 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 :: 7.302 HA :: 4.717 HB :: 4.683 HG21 :: 1.265 HG22 :: 1.265 HG23 :: 1.265 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 :: 111.477 Ave N Shift Values>> N :: 115.7(5.05) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.125 CA :: 65.320 CB :: 37.410 CG1 :: 28.794 CG2 :: 16.986 CD1 :: 12.611 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 :: 9.071 HA :: 3.513 HB :: 1.866 HG12 :: 1.658 HG13 :: 1.160 HG21 :: 0.928 HG22 :: 0.928 HG23 :: 0.928 HD11 :: 0.948 HD12 :: 0.948 HD13 :: 0.948 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 :: 122.122 Ave N Shift Values>> N :: 121.6(4.72) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 E 0.34 K 0.05 C Shift Assignments>> C :: 178.498 CA :: 60.183 CB :: 28.535 CG :: 36.840 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 :: 8.800 HA :: 3.981 HB2 :: 2.076 HB3 :: 1.977 HG2 :: 2.263 HG3 :: 2.466 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 :: 118.072 Ave N Shift Values>> N :: 120.68(3.68) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.853 CA :: 61.007 CB :: 62.576 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.229 HA :: 4.385 HB2 :: 4.007 HB3 :: 4.077 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 :: 115.789 Ave N Shift Values>> N :: 116.3(3.95) 1.V30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.271 CA :: 66.889 CB :: 31.351 CG1 :: 22.509 CG2 :: 24.204 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 :: 7.970 HA :: 3.746 HB :: 2.192 HG11 :: 0.841 HG12 :: 0.841 HG13 :: 0.841 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 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 :: 124.773 Ave N Shift Values>> N :: 121.02(4.96) 1.A31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.65 A 0.27 I 0.06 C Shift Assignments>> C :: 179.288 CA :: 55.517 CB :: 17.520 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.704 HA :: 3.891 HB1 :: 1.463 HB2 :: 1.463 HB3 :: 1.463 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.105 Ave N Shift Values>> N :: 123.23(3.7) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.19 K 0.17 L 0.16 D 0.13 I 0.03 R 0.03 N 0.02 C Shift Assignments>> C :: 177.209 CA :: 56.979 CB :: 40.868 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 :: 8.312 HA :: 4.303 HB2 :: 2.755 HB3 :: 2.622 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 :: 115.329 Ave N Shift Values>> N :: 120.73(4.2) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.458 CA :: 60.734 CB :: 39.799 CD1 :: 132.413 CD2 :: 132.425 CE1 :: 119.058 CE2 :: 118.886 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 :: 7.529 HA :: 4.201 HB2 :: 3.092 HB3 :: 2.817 HD1 :: 5.845 HD2 :: 5.845 HE1 :: 6.220 HE2 :: 6.220 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 :: 119.113 Ave N Shift Values>> N :: 120.79(4.69) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.250 CA :: 61.554 CB :: 39.728 CD1 :: 131.908 CD2 :: 131.991 CE1 :: 130.249 CE2 :: 130.237 CZ :: 129.160 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 :: 7.985 HA :: 4.333 HB2 :: 3.414 HB3 :: 2.771 HD1 :: 7.428 HD2 :: 7.428 HE1 :: 6.879 HE2 :: 6.879 HZ :: 6.890 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 :: 112.447 Ave N Shift Values>> N :: 120.69(4.18) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.34 M 0.09 G 0.01 C Shift Assignments>> C :: 176.689 CA :: 57.978 CB :: 31.030 CG :: 23.829 CD :: 29.742 CE :: 42.015 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 :: 8.345 HA :: 4.914 HB2 :: 2.049 HB3 :: 2.160 HG2 :: 1.762 HG3 :: 1.266 HD2 :: 1.742 HD3 :: 1.685 HE2 :: 3.018 HE3 :: 3.018 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 :: 118.816 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.28 E 0.2 M 0.11 R 0.04 I 0.01 C Shift Assignments>> C :: 176.502 CA :: 57.336 CB :: 29.640 CG :: 33.993 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.505 HA :: 4.127 HB2 :: 2.110 HB3 :: 2.014 HG2 :: 2.421 HG3 :: 2.304 HE21 :: 6.783 HE22 :: 7.629 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.163 NE2 :: 111.842 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 A 0.1 M 0.01 C Shift Assignments>> C :: 174.838 CA :: 58.084 CB :: 40.084 CG1 :: 29.440 CG2 :: 19.062 CD1 :: 11.682 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 :: 7.814 HA :: 4.226 HB :: 1.855 HG12 :: 1.360 HG13 :: 1.178 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 HD11 :: 0.348 HD12 :: 0.348 HD13 :: 0.348 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 :: 116.336 Ave N Shift Values>> N :: 121.6(4.72) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.21 R 0.16 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.138 CA :: 44.575 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.337 HA2 :: 3.921 HA3 :: 4.080 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.243 Ave N Shift Values>> N :: 109.91(4.29) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.084 CA :: 61.400 CB :: 38.409 CG1 :: 27.571 CG2 :: 17.198 CD1 :: 12.010 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 :: 8.115 HA :: 4.087 HB :: 1.822 HG12 :: 1.692 HG13 :: 1.285 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 HD11 :: 0.913 HD12 :: 0.913 HD13 :: 0.913 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 :: 117.460 Ave N Shift Values>> N :: 121.6(4.72) 1.I40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.690 CA :: 61.007 CB :: 37.874 CG1 :: 28.456 CG2 :: 16.233 CD1 :: 13.500 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 :: 8.711 HA :: 3.791 HB :: 1.682 HG12 :: 1.640 HG13 :: 0.534 HG21 :: 0.816 HG22 :: 0.816 HG23 :: 0.816 HD11 :: 0.749 HD12 :: 0.749 HD13 :: 0.749 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 :: 131.841 Ave N Shift Values>> N :: 121.6(4.72) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.7 R 0.22 M 0.06 C Shift Assignments>> C :: 174.921 CA :: 57.229 CB :: 33.418 CG :: 24.753 CD :: 29.581 CE :: 41.561 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 :: 8.677 HA :: 4.058 HB2 :: 1.469 HB3 :: 1.195 HG2 :: 1.397 HG3 :: 1.508 HD2 :: 1.626 HD3 :: 1.626 HE2 :: 3.048 HE3 :: 3.090 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 :: 130.163 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.881 CA :: 60.770 CB :: 70.244 CG2 :: 21.144 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 :: 8.471 HA :: 4.381 HB :: 3.731 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 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 :: 118.307 Ave N Shift Values>> N :: 115.7(5.05) 1.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.21 Y 0.07 F 0.06 L 0.03 E 0.01 HN Overlap>> 1.M50 1.M50 C Shift Assignments>> CA :: 52.544 CB :: 38.750 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 :: 8.807 HA :: 4.534 HB2 :: 3.270 HB3 :: 2.549 HD21 :: 7.650 HD22 :: 7.199 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 :: 124.147 ND2 :: 113.879 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.59 R 0.37 M 0.03 C Shift Assignments>> C :: 177.604 CA :: 57.957 CB :: 32.009 CG :: 24.784 CD :: 28.456 CE :: 41.804 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>> HA :: 3.992 HB2 :: 1.860 HB3 :: 1.863 HG2 :: 1.472 HG3 :: 1.554 HD2 :: 1.681 HD3 :: 1.682 HE2 :: 3.015 HE3 :: 3.016 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) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.33 M 0.02 C Shift Assignments>> C :: 178.041 CA :: 57.979 CB :: 32.570 CG :: 25.028 CD :: 28.536 CE :: 41.885 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 :: 8.312 HA :: 4.244 HB2 :: 1.949 HB3 :: 1.949 HG2 :: 1.515 HG3 :: 1.402 HD2 :: 1.703 HD3 :: 1.701 HE2 :: 2.992 HE3 :: 2.992 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 :: 117.320 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.314 CA :: 60.672 CB :: 70.739 CG2 :: 20.929 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 :: 7.422 HA :: 4.471 HB :: 4.393 HG21 :: 1.128 HG22 :: 1.128 HG23 :: 1.128 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 :: 105.379 Ave N Shift Values>> N :: 115.7(5.05) 1.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 173.673 CA :: 45.624 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.639 HA2 :: 3.675 HA3 :: 4.176 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.478 Ave N Shift Values>> N :: 109.91(4.29) 1.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.34 M 0.13 R 0.11 E 0.03 P 0.01 C Shift Assignments>> CA :: 52.979 CB :: 29.034 CG :: 33.120 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.656 HA :: 4.668 HB2 :: 1.806 HB3 :: 2.195 HG2 :: 2.344 HG3 :: 2.409 HE21 :: 7.581 HE22 :: 6.979 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 :: 118.767 NE2 :: 113.028 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.687 CA :: 62.398 CB :: 32.313 CG :: 27.249 CD :: 50.243 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 :: 4.587 HB2 :: 2.220 HB3 :: 1.563 HG2 :: 2.002 HG3 :: 1.939 HD2 :: 3.840 HD3 :: 3.669 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.M50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.28 HN Overlap>> 1.N43 1.N43 C Shift Assignments>> C :: 173.798 CA :: 55.090 CB :: 30.353 CG :: 32.383 CE :: 16.763 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 :: 8.876 HA :: 4.426 HB2 :: 1.650 HB3 :: 2.027 HG2 :: 2.274 HG3 :: 2.379 HE1 :: 2.031 HE2 :: 2.031 HE3 :: 2.031 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 :: 124.204 Ave N Shift Values>> N :: 120.1(3.88) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 G 0.04 A 0.01 C Shift Assignments>> C :: 173.985 CA :: 58.941 CB :: 42.116 CG1 :: 27.651 CG2 :: 16.243 CD1 :: 14.064 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 :: 7.715 HA :: 4.803 HB :: 1.457 HG12 :: 1.017 HG13 :: 1.433 HG21 :: 0.718 HG22 :: 0.718 HG23 :: 0.718 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 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 :: 126.171 Ave N Shift Values>> N :: 121.6(4.72) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.35 L 0.08 F 0.04 Y 0.04 K 0.01 C Shift Assignments>> C :: 173.631 CA :: 51.206 CB :: 40.226 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 :: 8.365 HA :: 4.935 HB2 :: 2.592 HB3 :: 2.595 HD21 :: 6.986 HD22 :: 6.635 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 :: 124.783 ND2 :: 111.483 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 A 0.05 R 0.03 G 0.02 C Shift Assignments>> C :: 176.169 CA :: 52.766 CB :: 42.049 CG :: 26.427 CD1 :: 25.497 CD2 :: 23.439 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 :: 8.582 HA :: 4.700 HB2 :: 1.720 HB3 :: 1.388 HG :: 1.499 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 HD21 :: 0.608 HD22 :: 0.608 HD23 :: 0.608 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 :: 122.328 Ave N Shift Values>> N :: 121.98(4.07) 1.Y54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> CA :: 57.195 CB :: 38.976 CD1 :: 132.119 CD2 :: 132.308 CE1 :: 118.197 CE2 :: 117.910 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 :: 7.642 HA :: 4.771 HB2 :: 2.826 HB3 :: 3.161 HD1 :: 7.174 HD2 :: 7.174 HE1 :: 6.848 HE2 :: 6.848 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 :: 121.867 Ave N Shift Values>> N :: 120.79(4.69) 1.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 173.611 CA :: 60.402 CB :: 71.238 CG2 :: 21.686 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>> HA :: 4.798 HB :: 3.829 HG21 :: 1.030 HG22 :: 1.030 HG23 :: 1.030 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) 1.D56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.22 R 0.17 K 0.12 F 0.05 N 0.03 Y 0.03 G 0.02 C Shift Assignments>> CA :: 53.700 CB :: 42.633 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 :: 8.942 HA :: 4.621 HB2 :: 3.068 HB3 :: 2.443 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 :: 123.857 Ave N Shift Values>> N :: 120.73(4.2) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.65 K 0.23 G 0.06 L 0.04 C Shift Assignments>> C :: 177.250 CA :: 58.192 CB :: 29.894 CG :: 26.694 CD :: 43.008 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>> HA :: 4.021 HB2 :: 1.894 HB3 :: 1.894 HG2 :: 1.682 HG3 :: 1.680 HD2 :: 3.210 HD3 :: 3.208 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) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 I 0.14 K 0.12 M 0.11 Q 0.06 C Shift Assignments>> C :: 178.186 CA :: 57.996 CB :: 30.130 CG :: 36.210 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 :: 8.559 HA :: 4.265 HB2 :: 2.131 HB3 :: 2.156 HG2 :: 2.237 HG3 :: 2.314 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 :: 117.378 Ave N Shift Values>> N :: 120.68(3.68) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.481 CA :: 61.333 CB :: 70.981 CG2 :: 20.869 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 :: 8.063 HA :: 4.432 HB :: 4.324 HG21 :: 1.223 HG22 :: 1.223 HG23 :: 1.223 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 :: 106.707 Ave N Shift Values>> N :: 115.7(5.05) 1.G60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.01 C Shift Assignments>> C :: 173.631 CA :: 45.705 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.433 HA2 :: 3.766 HA3 :: 4.176 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.139 Ave N Shift Values>> N :: 109.91(4.29) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 R 0.22 M 0.03 G 0.01 C Shift Assignments>> C :: 176.460 CA :: 55.602 CB :: 33.460 CG :: 24.907 CD :: 28.768 CE :: 41.922 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 :: 7.757 HA :: 4.353 HB2 :: 1.838 HB3 :: 1.658 HG2 :: 1.420 HG3 :: 1.421 HD2 :: 1.681 HD3 :: 1.681 HE2 :: 3.030 HE3 :: 3.001 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 :: 119.542 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.82 R 0.13 K 0.01 A 0.01 C Shift Assignments>> C :: 177.833 CA :: 56.008 CB :: 41.383 CG :: 27.330 CD1 :: 26.118 CD2 :: 23.712 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 :: 8.767 HA :: 4.364 HB2 :: 1.892 HB3 :: 1.526 HG :: 1.811 HD11 :: 0.999 HD12 :: 0.999 HD13 :: 0.999 HD21 :: 0.838 HD22 :: 0.838 HD23 :: 0.838 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 :: 122.411 Ave N Shift Values>> N :: 121.98(4.07) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.73 R 0.23 M 0.02 C Shift Assignments>> C :: 176.709 CA :: 56.085 CB :: 33.953 CG :: 25.088 CD :: 28.847 CE :: 41.664 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 :: 7.995 HA :: 4.271 HB2 :: 1.881 HB3 :: 1.529 HG2 :: 1.433 HG3 :: 1.433 HD2 :: 1.594 HD3 :: 1.681 HE2 :: 2.976 HE3 :: 2.977 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 :: 118.017 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 172.404 CA :: 46.078 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.330 HA2 :: 3.744 HA3 :: 4.240 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.295 Ave N Shift Values>> N :: 109.91(4.29) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.77 E 0.2 Q 0.01 C Shift Assignments>> C :: 176.460 CA :: 52.750 CB :: 33.988 CG :: 36.266 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 :: 7.146 HA :: 5.512 HB2 :: 1.976 HB3 :: 1.824 HG2 :: 2.192 HG3 :: 2.136 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 :: 115.910 Ave N Shift Values>> N :: 120.68(3.68) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 P 0.11 K 0.11 A 0.1 M 0.07 R 0.02 C Shift Assignments>> C :: 176.314 CA :: 50.671 CB :: 23.795 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.920 HA :: 5.586 HB1 :: 0.960 HB2 :: 0.960 HB3 :: 0.960 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.684 Ave N Shift Values>> N :: 123.23(3.7) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.193 CA :: 59.225 CB :: 70.881 CG2 :: 22.145 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 :: 8.427 HA :: 5.751 HB :: 4.100 HG21 :: 1.452 HG22 :: 1.452 HG23 :: 1.452 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 :: 108.088 Ave N Shift Values>> N :: 115.7(5.05) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.339 CA :: 61.007 CB :: 34.595 CG1 :: 20.646 CG2 :: 19.514 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 :: 8.085 HA :: 4.246 HB :: 1.353 HG11 :: 0.007 HG12 :: 0.007 HG13 :: 0.007 HG21 :: 0.295 HG22 :: 0.295 HG23 :: 0.295 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 :: 119.930 Ave N Shift Values>> N :: 121.02(4.96) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.467 CA :: 57.265 CB :: 64.216 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.678 HA :: 5.238 HB2 :: 3.701 HB3 :: 3.630 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 :: 121.553 Ave N Shift Values>> N :: 116.3(3.95) 1.F70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 C Shift Assignments>> C :: 175.628 CA :: 58.050 CB :: 41.652 CD1 :: 131.419 CD2 :: 131.378 CE1 :: 130.880 CE2 :: 130.948 CZ :: 128.204 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 :: 8.962 HA :: 4.818 HB2 :: 3.435 HB3 :: 2.779 HD1 :: 7.051 HD2 :: 7.051 HE1 :: 6.968 HE2 :: 6.968 HZ :: 6.823 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 :: 122.570 Ave N Shift Values>> N :: 120.69(4.18) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.2 R 0.15 F 0.14 Y 0.11 D 0.08 I 0.01 C Shift Assignments>> C :: 175.753 CA :: 57.158 CB :: 41.973 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 :: 8.450 HA :: 4.413 HB2 :: 2.587 HB3 :: 2.377 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 :: 119.979 Ave N Shift Values>> N :: 120.73(4.2) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 G 0.24 L 0.21 N 0.09 R 0.08 K 0.04 F 0.02 Y 0.01 C Shift Assignments>> CA :: 50.278 CB :: 42.633 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 :: 8.477 HA :: 5.386 HB2 :: 2.820 HB3 :: 2.718 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 :: 116.741 Ave N Shift Values>> N :: 120.73(4.2) 1.P73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 66.799 CB :: 29.263 CG :: 28.038 CD :: 50.800 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 :: 4.397 HB2 :: 2.163 HB3 :: 2.299 HG2 :: 2.357 HG3 :: 1.949 HD2 :: 4.275 HD3 :: 3.881 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.P74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 178.852 CA :: 65.891 CB :: 30.959 CG :: 28.209 CD :: 50.289 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 :: 4.404 HB2 :: 1.837 HB3 :: 2.379 HG2 :: 2.105 HG3 :: 1.983 HD2 :: 3.690 HD3 :: 3.471 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.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.756 CA :: 61.554 CB :: 62.719 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.059 HA :: 4.019 HB2 :: 3.035 HB3 :: 3.885 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 :: 114.384 Ave N Shift Values>> N :: 116.3(3.95) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.39 I 0.03 C Shift Assignments>> C :: 177.708 CA :: 54.828 CB :: 17.699 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.443 HA :: 3.599 HB1 :: 1.600 HB2 :: 1.600 HB3 :: 1.600 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.424 Ave N Shift Values>> N :: 123.23(3.7) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.37 M 0.02 G 0.01 C Shift Assignments>> C :: 177.916 CA :: 58.583 CB :: 32.145 CG :: 24.861 CD :: 28.524 CE :: 42.083 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 :: 7.199 HA :: 3.791 HB2 :: 1.977 HB3 :: 2.106 HG2 :: 1.568 HG3 :: 1.569 HD2 :: 1.702 HD3 :: 1.867 HE2 :: 3.070 HE3 :: 3.089 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 :: 116.163 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.44 I 0.02 HN Overlap>> 1.T99 1.T99 C Shift Assignments>> C :: 179.684 CA :: 54.449 CB :: 17.556 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.872 HA :: 4.155 HB1 :: 1.398 HB2 :: 1.398 HB3 :: 1.398 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.688 Ave N Shift Values>> N :: 123.23(3.7) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.42 I 0.02 V 0.01 C Shift Assignments>> C :: 179.309 CA :: 55.090 CB :: 18.804 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.120 HA :: 4.268 HB1 :: 1.668 HB2 :: 1.668 HB3 :: 1.668 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.328 Ave N Shift Values>> N :: 123.23(3.7) 1.I80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.895 CA :: 65.570 CB :: 38.409 CG1 :: 29.071 CG2 :: 16.658 CD1 :: 12.892 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 :: 7.571 HA :: 3.415 HB :: 1.720 HG12 :: 1.452 HG13 :: 0.364 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 HD11 :: -0.178 HD12 :: -0.178 HD13 :: -0.178 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 :: 119.634 Ave N Shift Values>> N :: 121.6(4.72) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.23 D 0.15 L 0.13 K 0.09 I 0.04 N 0.04 R 0.01 C Shift Assignments>> C :: 178.290 CA :: 56.837 CB :: 40.298 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 :: 7.955 HA :: 4.314 HB2 :: 2.717 HB3 :: 2.631 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.783 Ave N Shift Values>> N :: 120.73(4.2) 1.W82 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> W 0.96 H 0.03 HN Overlap>> 1.I93 1.I93 C Shift Assignments>> C :: 177.084 CA :: 59.118 CB :: 30.567 CD1 :: 126.579 CE3 :: 120.507 CZ2 :: 114.077 CZ3 :: 121.570 CH2 :: 124.251 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 :: 8.493 HA :: 4.363 HB2 :: 2.538 HB3 :: 3.093 HD1 :: 5.259(A) HE1 :: 9.781 HE3 :: 7.390 HZ2 :: 7.339 HZ3 :: 7.037 HH2 :: 7.136 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 :: 117.218 NE1 :: 127.963 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.F83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.522 CA :: 59.511 CB :: 40.440 CD1 :: 131.982 CD2 :: 131.987 CE1 :: 131.088 CE2 :: 131.106 CZ :: 129.710 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 :: 8.478 HA :: 4.659 HB2 :: 3.428 HB3 :: 3.483 HD1 :: 7.557 HD2 :: 7.557 HE1 :: 6.984 HE2 :: 6.984 HZ :: 6.948 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 :: 111.914 Ave N Shift Values>> N :: 120.69(4.18) 1.D84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 F 0.2 Y 0.15 L 0.14 R 0.12 D 0.05 I 0.04 C Shift Assignments>> C :: 177.770 CA :: 58.263 CB :: 41.758 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 :: 7.950 HA :: 4.459 HB2 :: 3.193 HB3 :: 2.776 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 :: 118.259 Ave N Shift Values>> N :: 120.73(4.2) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 174.651 CA :: 45.914 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.617 HA2 :: 3.882 HA3 :: 4.263 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.401 Ave N Shift Values>> N :: 109.91(4.29) 1.K86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 R 0.45 G 0.02 M 0.01 C Shift Assignments>> C :: 174.505 CA :: 54.828 CB :: 32.165 CG :: 25.896 CD :: 27.731 CE :: 42.286 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 :: 4.463 HB2 :: 2.068 HB3 :: 2.283 HG2 :: 1.495 HG3 :: 1.249 HD2 :: 1.542 HD3 :: 1.421 HE2 :: 2.447 HE3 :: 2.665 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 :: 120.172 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 M 0.39 Q 0.05 K 0.03 I 0.01 C Shift Assignments>> C :: 177.063 CA :: 55.309 CB :: 31.709 CG :: 36.113 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 :: 8.193 HA :: 4.700 HB2 :: 1.884 HB3 :: 1.559 HG2 :: 1.800 HG3 :: 2.197 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 :: 115.595 Ave N Shift Values>> N :: 120.68(3.68) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.98 G 0.01 C Shift Assignments>> CA :: 56.414 CB :: 41.857 CD1 :: 131.902 CD2 :: 132.047 CE1 :: 130.769 CE2 :: 130.600 CZ :: 128.632 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 :: 9.161 HA :: 4.483 HB2 :: 2.177 HB3 :: 2.871 HD1 :: 6.216 HD2 :: 6.216 HE1 :: 6.949 HE2 :: 6.949 HZ :: 6.980 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 :: 126.953 Ave N Shift Values>> N :: 120.69(4.18) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.775 CA :: 58.049 CB :: 62.255 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 3.800 HB2 :: 3.448 HB3 :: 3.997 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.G90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.18 R 0.12 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.112 CA :: 44.753 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.434 HA2 :: 3.603 HA3 :: 4.159 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.317 Ave N Shift Values>> N :: 109.91(4.29) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.37 L 0.11 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> CA :: 50.136 CB :: 40.939 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 :: 7.764 HA :: 5.330 HB2 :: 2.910 HB3 :: 2.911 HD21 :: 7.359 HD22 :: 7.032 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 :: 119.055 ND2 :: 114.748 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.834 CA :: 62.398 CB :: 31.458 CG :: 27.571 CD :: 50.500 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 :: 4.655 HB2 :: 1.867 HB3 :: 2.169 HG2 :: 2.025 HG3 :: 2.173 HD2 :: 3.793 HD3 :: 3.932 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.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 A 0.02 G 0.02 HN Overlap>> 1.W82 1.W82 C Shift Assignments>> C :: 175.794 CA :: 59.297 CB :: 41.617 CG1 :: 24.522 CG2 :: 18.304 CD1 :: 14.799 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 :: 8.456 HA :: 5.147 HB :: 1.808 HG12 :: 1.358 HG13 :: 1.521 HG21 :: 0.721 HG22 :: 0.721 HG23 :: 0.721 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 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 :: 117.145 Ave N Shift Values>> N :: 121.6(4.72) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.1 M 0.02 A 0.01 G 0.01 C Shift Assignments>> C :: 175.898 CA :: 53.898 CB :: 34.868 CG :: 24.251 CD :: 28.608 CE :: 41.604 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 :: 8.354 HA :: 5.189 HB2 :: 1.822 HB3 :: 1.537 HG2 :: 1.506 HG3 :: 1.441 HD2 :: 1.677 HD3 :: 1.677 HE2 :: 2.978 HE3 :: 2.974 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 :: 122.182 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 I 0.01 C Shift Assignments>> C :: 173.216 CA :: 60.901 CB :: 34.666 CG1 :: 24.040 CG2 :: 22.236 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 :: 9.372 HA :: 4.961 HB :: 1.945 HG11 :: 0.980 HG12 :: 0.980 HG13 :: 0.980 HG21 :: 1.097 HG22 :: 1.097 HG23 :: 1.097 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.379 Ave N Shift Values>> N :: 121.02(4.96) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 173.819 CA :: 56.516 CB :: 66.069 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.928 HA :: 4.696 HB2 :: 4.107 HB3 :: 3.966 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 :: 119.542 Ave N Shift Values>> N :: 116.3(3.95) 1.F97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 176.626 CA :: 60.473 CB :: 39.407 CD1 :: 131.480 CD2 :: 131.605 CE1 :: 129.179 CE2 :: 129.362 CZ :: 129.480 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 :: 8.888 HA :: 4.767 HB2 :: 3.195 HB3 :: 2.883 HD1 :: 7.333 HD2 :: 7.333 HE1 :: 7.167 HE2 :: 7.167 HZ :: 7.152 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 :: 119.906 Ave N Shift Values>> N :: 120.69(4.18) 1.A98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.16 C Shift Assignments>> C :: 176.314 CA :: 51.989 CB :: 19.196 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.474 HA :: 4.372 HB1 :: 1.266 HB2 :: 1.266 HB3 :: 1.266 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.604 Ave N Shift Values>> N :: 123.23(3.7) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.A78 1.A78 C Shift Assignments>> CA :: 62.483 CB :: 70.667 CG2 :: 21.689 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 :: 7.814 HA :: 4.137 HB :: 4.203 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 119.692 Ave N Shift Values>> N :: 115.7(5.05) ########################################################################### Overall Results: #Consistent: 97 #Clerical: 0 #Suspicious: 1 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 89 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 99 #Suspicious: 0 C Shift Results: #Consistent: 391 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 616 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 1 N Shift Results: #Consistent: 90 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L21 HD21 = -0.186(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.2864e-04 1.L21 HD22 = -0.186(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.2864e-04 1.L21 HD23 = -0.186(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.2864e-04 1.W82 HD1 = 5.259(A), Expected = 7.16, Std = 0.3400, ChiSquare = 2.2554e-08