Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.H1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.37 W 0.35 C 0.27 C Shift Assignments>> CA :: 55.847 CB :: 30.956 CD2 :: 120.383 CE1 :: 137.771 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.293 HB2 :: 3.24 HB3 :: 3.24 HD2 :: 7.257 HE1 :: 8.252 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.977 CA :: 61.886 CB :: 69.938 CG2 :: 21.702 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> HA :: 4.368 HB :: 4.185 HG21 :: 1.201 HG22 :: 1.201 HG23 :: 1.201 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.33 M 0.09 K 0.07 Q 0.05 I 0.02 C Shift Assignments>> C :: 176.915 CA :: 55.814 CB :: 30.058 CG :: 36.364 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.895 HA :: 4.556 HB2 :: 2.082 HB3 :: 1.942 HG2 :: 2.232 HG3 :: 2.232 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.405 Ave N Shift Values>> N :: 120.67(3.48) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.4 R 0.17 G 0.01 C Shift Assignments>> C :: 177.19 CA :: 57.626 CB :: 32.554 CG :: 25.118 CD :: 29.047 CE :: 42.587 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.674 HA :: 4.287 HB2 :: 1.861 HB3 :: 1.861 HG2 :: 1.505 HG3 :: 1.505 HD2 :: 1.723 HD3 :: 1.723 HE2 :: 3.009 HE3 :: 3.009 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.382 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.34 K 0.22 G 0.06 C Shift Assignments>> C :: 175.026 CA :: 55.325 CB :: 32.293 CG :: 28.403 CD :: 43.297 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.64 HA :: 4.548 HB2 :: 2.061 HB3 :: 1.914 HG2 :: 1.569 HG3 :: 1.569 HD2 :: 3.213 HD3 :: 3.213 HE :: 7.646 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.664 NE :: 83.978 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.61 CA :: 45.658 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.649 HA2 :: 4.504 HA3 :: 3.866 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.166 Ave N Shift Values>> N :: 109.67(3.87) 1.R7 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.87 G 0.12 HN Overlap>> 1.K51 1.K51 C Shift Assignments>> C :: 173.39 CA :: 54.375 CB :: 34.455 CG :: 33.33(S) CD :: 42.909 CZ :: 159.486 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.561 HA :: 5.668 HB2 :: 2.05 HB3 :: 1.598 HG2 :: 2.482(S) HG3 :: 2.482 HD2 :: 2.911 HD3 :: 2.911 HE :: 7.665 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.941 NE :: 84.314 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 C 0.35 I 0.11 C Shift Assignments>> C :: 170.72 CA :: 59.324 CB :: 43.789 CG2 :: 16.021 CD1 :: 14.905 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.399 HA :: 5.58 HB :: 1.728 HG12 :: 2.148 HG13 :: 2.148 HG21 :: 0.984 HG22 :: 0.984 HG23 :: 0.984 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.371 Ave N Shift Values>> N :: 121.46(4.28) 1.Y9 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 174.831 CA :: 56.289 CB :: 38.132 CD1 :: 132.62 CD2 :: 132.62 CE1 :: 117.842 CE2 :: 116.846 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.105 HA :: 4.921 HB2 :: 2.641 HB3 :: 2.641 HD1 :: 5.522(S) HD2 :: 5.522(S) HE1 :: 6.684 HE2 :: 6.42 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 131.603 Ave N Shift Values>> N :: 120.52(4.2) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 G 0.37 L 0.06 C Shift Assignments>> C :: 174.358 CA :: 52.778 CB :: 47.489 CG :: 26.313 CD1 :: 26.869 CD2 :: 26.582 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.125 HA :: 5.254 HB2 :: 1.625 HB3 :: 1.412 HG :: 1.681 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 HD21 :: 0.578 HD22 :: 0.578 HD23 :: 0.578 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.243 Ave N Shift Values>> N :: 121.86(3.9) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.33 R 0.19 G 0.01 HN Overlap>> 1.S118 1.S118 C Shift Assignments>> C :: 175.272 CA :: 54.985 CB :: 36.346 CG :: 25.158 CD :: 29.471 CE :: 42.05 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.297 HA :: 4.956 HB2 :: 1.882 HB3 :: 1.661 HG2 :: 1.483 HG3 :: 1.483 HD2 :: 1.684 HE2 :: 2.978 HE3 :: 2.978 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.213 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 L 0.15 C 0.07 HN Overlap>> 1.K76 1.K76 C Shift Assignments>> C :: 174.137 CA :: 51.332 CB :: 21.655 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.888 HA :: 5.461 HB1 :: 0.796 HB2 :: 0.796 HB3 :: 0.796 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.758 Ave N Shift Values>> N :: 123.23(3.54) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.43 E 0.06 Q 0.06 C Shift Assignments>> C :: 173.631 CA :: 54.498 CB :: 33.364 CG :: 34.762 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.65 HA :: 4.767 HB2 :: 2.059 HB3 :: 2.059 HG2 :: 2.161 HG3 :: 2.161 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.087 Ave N Shift Values>> N :: 120.67(3.48) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 175.991 CA :: 61.197 CB :: 33.045 CG1 :: 21.57 CG2 :: 21.57 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.508 HA :: 5.034 HB :: 1.803 HG11 :: 0.678 HG12 :: 0.678 HG13 :: 0.678 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 125.054 Ave N Shift Values>> N :: 121.14(4.54) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.85 C 0.14 C Shift Assignments>> C :: 174.323 CA :: 60.898 CB :: 70.986 CG2 :: 21.623 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.842 HA :: 4.525 HB :: 4.03 HG21 :: 1.169 HG22 :: 1.169 HG23 :: 1.169 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 122.59 Ave N Shift Values>> N :: 115.42(4.75) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.2 D 0.18 C 0.11 N 0.11 L 0.1 I 0.02 HN Overlap>> 1.H20 1.H20 C Shift Assignments>> CA :: 55.928 CB :: 39.616 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.417 HA :: 4.251 HB2 :: 2.892 HB3 :: 2.65 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.664 Ave N Shift Values>> N :: 120.65(3.86) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.28 I 0.2 K 0.04 Q 0.02 L 0.01 C Shift Assignments>> C :: 174.302 CA :: 57.416 CB :: 27.529 CG :: 36.803 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.734 HA :: 3.741 HB2 :: 2.33 HB3 :: 2.224 HG2 :: 2.159 HG3 :: 2.159 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 111.445 Ave N Shift Values>> N :: 120.67(3.48) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.36 R 0.18 G 0.01 C Shift Assignments>> C :: 173.734 CA :: 55.084 CB :: 35.388 CG :: 25.247 CD :: 29.174 CE :: 42.253 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9 HA :: 4.916 HB2 :: 1.798 HB3 :: 1.183 HG2 :: 1.516 HG3 :: 1.228 HD2 :: 1.649 HD3 :: 1.611 HE2 :: 3.009 HE3 :: 3.009 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.825 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.29 C 0.21 R 0.16 C Shift Assignments>> C :: 174.579 CA :: 53.56 CB :: 44.214 CG :: 27.902 CD1 :: 24.821 CD2 :: 26.675 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.971 HA :: 4.921 HB2 :: 1.971 HB3 :: 1.323 HG :: 1.477 HD11 :: 0.626 HD12 :: 0.626 HD13 :: 0.626 HD21 :: 0.518 HD22 :: 0.518 HD23 :: 0.518 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.479 Ave N Shift Values>> N :: 121.86(3.9) 1.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.38 W 0.34 C 0.27 HN Overlap>> 1.D16 1.D16 C Shift Assignments>> C :: 174.46 CA :: 54.666 CB :: 30.79 CE1 :: 136.134 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.433 HA :: 5.528 HB2 :: 3.269 HB3 :: 3.126 HD2 :: 7.151 HE1 :: 8.534 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 127.605 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.39 C Shift Assignments>> C :: 174.908 CA :: 60.043 CB :: 35.666 CG1 :: 21.379 CG2 :: 21.379 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.254 HA :: 5.217 HB :: 1.976 HG11 :: 0.908 HG12 :: 0.908 HG13 :: 0.908 HG21 :: 0.872 HG22 :: 0.872 HG23 :: 0.872 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.647 Ave N Shift Values>> N :: 121.14(4.54) 1.T22 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 :: 173.384 CA :: 62.307 CB :: 71.263 CG2 :: 20.713 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.694 HA :: 5.037 HB :: 3.904 HG21 :: 1.068 HG22 :: 1.068 HG23 :: 1.068 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 125.025 Ave N Shift Values>> N :: 115.42(4.75) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 174.182 CA :: 61.42 CB :: 32.435 CG1 :: 22.58 CG2 :: 22.58 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.426 HA :: 4.263 HB :: 2.155 HG11 :: 0.801 HG12 :: 0.801 HG13 :: 0.801 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.893 Ave N Shift Values>> N :: 121.14(4.54) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 R 0.41 G 0.02 HN Overlap>> 1.V88 1.V88 C Shift Assignments>> C :: 173.829 CA :: 59.19 CB :: 32.797 CG :: 27.11 CD :: 42.712 CZ :: 158.856 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.395 HA :: 4.552 HB2 :: 2.476 HB3 :: 2.476 HG2 :: 2.119 HG3 :: 1.988 HD2 :: 2.909 HD3 :: 2.909 HE :: 7.238 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.305 NE :: 84.233 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.2 R 0.19 G 0.12 C 0.04 K 0.03 F 0.03 N 0.02 Y 0.01 C Shift Assignments>> C :: 171.669 CA :: 52.491 CB :: 43.232 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.267 HA :: 5.257 HB2 :: 3.127 HB3 :: 2.81 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.531 Ave N Shift Values>> N :: 120.65(3.86) 1.A26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.57 C 0.18 K 0.11 A 0.08 P 0.03 C Shift Assignments>> C :: 175.522 CA :: 51.234 CB :: 23.93 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.667 HA :: 5.737(S) HB1 :: 1.68 HB2 :: 1.68 HB3 :: 1.68 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.152 Ave N Shift Values>> N :: 123.23(3.54) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 R 0.26 K 0.06 G 0.01 C Shift Assignments>> C :: 175.094 CA :: 54.452 CB :: 38.312 CG :: 25.308 CD :: 29.476 CE :: 41.827 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.867 HA :: 5.398 HB2 :: 1.649 HB3 :: 1.294 HG2 :: 1.389 HG3 :: 1.319 HD2 :: 1.375 HD3 :: 1.375 HE2 :: 2.884 HE3 :: 2.802 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.323 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 C 0.42 D 0.01 C Shift Assignments>> C :: 173.581 CA :: 54.073 CB :: 36.577 CG :: 175.434 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.45 HA :: 4.256 HB2 :: 2.35 HB3 :: 2.35 HD21 :: 7.577 HD22 :: 7.276 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.556 ND2 :: 117.727 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 C 0.38 A 0.1 R 0.08 C Shift Assignments>> C :: 175.775 CA :: 54.261 CB :: 41.491 CG :: 26.45 CD1 :: 22.936 CD2 :: 27.252 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.006 HA :: 4.134 HB2 :: 1.458 HB3 :: 1.458 HG :: 1.595 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 HD21 :: 0.716 HD22 :: 0.716 HD23 :: 0.716 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 113.641 Ave N Shift Values>> N :: 121.86(3.9) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.43 C Shift Assignments>> CA :: 58.767 CB :: 39.554 CG1 :: 27.612 CG2 :: 17.872 CD1 :: 14.187 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.844 HA :: 4.447 HB :: 1.78 HG12 :: 1.607 HG13 :: 1.216 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 HD11 :: 0.884 HD12 :: 0.884 HD13 :: 0.884 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.248 Ave N Shift Values>> N :: 121.46(4.28) 1.P31 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Indeterminable N Shifts: Indeterminable PRTL>> E 0.35 C 0.22 I 0.11 Y 0.07 N 0.07 M 0.05 F 0.03 K 0.01 V 0.01 C Shift Assignments>> C :: 178.082 CB :: 36.392(S) Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) 1.M32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.28 C 0.24 C Shift Assignments>> C :: 175.973 CA :: 53.934 CB :: 32.807 CE :: 16.938 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.984 HA :: 4.788 HB2 :: 1.537 HB3 :: 1.537 HG2 :: 1.902 HG3 :: 1.902 HE1 :: 2.196 HE2 :: 2.196 HE3 :: 2.196 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.606 Ave N Shift Values>> N :: 120.09(3.57) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.25 N 0.12 K 0.08 C 0.05 R 0.04 F 0.04 Y 0.02 G 0.01 C Shift Assignments>> CA :: 52.05 CB :: 41.935 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.228 HA :: 4.917 HB2 :: 2.929 HB3 :: 2.752 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.441 Ave N Shift Values>> N :: 120.65(3.86) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.15 C Shift Assignments>> C :: 176.161 CA :: 64.976 CB :: 31.845 CG :: 27.76 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.388 HB2 :: 2.392 HB3 :: 1.994 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.N35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.18 E 0.06 M 0.06 Y 0.05 F 0.04 D 0.03 HN Overlap>> 1.Y131 1.Y131 C Shift Assignments>> C :: 175.953 CA :: 52.748 CB :: 36.99 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.632 HA :: 4.538 HB2 :: 2.817 HD21 :: 7.64 HD22 :: 6.793 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.324 ND2 :: 112.781 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 172.836 CA :: 45.48 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.258 HA2 :: 4.121 HA3 :: 3.724 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.391 Ave N Shift Values>> N :: 109.67(3.87) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.4 G 0.39 C 0.13 A 0.04 R 0.01 C Shift Assignments>> C :: 173.111 CA :: 52.961 CB :: 44.43 CG :: 26.673 CD1 :: 23.47 CD2 :: 25.572 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.591 HA :: 4.705 HB2 :: 1.822 HB3 :: 1.147 HG :: 1.317 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 HD21 :: 0.808 HD22 :: 0.808 HD23 :: 0.808 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.503 Ave N Shift Values>> N :: 121.86(3.9) 1.S38 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 :: 170.78 CA :: 57.415 CB :: 68.452 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.874 HA :: 4.792 HB2 :: 3.946 HB3 :: 3.566 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.239 Ave N Shift Values>> N :: 116.28(3.52) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.31 L 0.27 R 0.15 D 0.14 C 0.04 F 0.02 N 0.01 K 0.01 Y 0.01 C Shift Assignments>> CA :: 51.991 CB :: 43.647 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.267 HB2 :: 2.587 HB3 :: 2.155 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.555 Ave N Shift Values>> N :: 120.65(3.86) 1.P40 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.44 P 0.26 I 0.21 K 0.03 Q 0.02 E 0.01 C Shift Assignments>> C :: 177.364 CA :: 63.369 CB :: 34.168 CG :: 28.298 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.732(S) HB2 :: 2.142 HB3 :: 1.986 HG2 :: 1.791 HG3 :: 1.489 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.39 G 0.01 C Shift Assignments>> C :: 171.307 CA :: 56.471 CB :: 41.995 CD1 :: 134.232 CD2 :: 134.232 CE1 :: 117.041 CE2 :: 117.041 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.486 HA :: 4.927 HB2 :: 3.11 HB3 :: 2.714 HD1 :: 7.108 HD2 :: 7.108 HE1 :: 6.523 HE2 :: 6.523 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.57 Ave N Shift Values>> N :: 120.52(4.2) 1.V42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 174.97 CA :: 60.134 CB :: 32.743 CG1 :: 22.878 CG2 :: 21.569 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.31 HA :: 4.827 HB :: 1.311 HG11 :: 0.454 HG12 :: 0.454 HG13 :: 0.454 HG21 :: -0.415(S) HG22 :: -0.415(S) HG23 :: -0.415(S) Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.566 Ave N Shift Values>> N :: 121.14(4.54) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.29 R 0.16 C Shift Assignments>> C :: 174.899 CA :: 54.939 CB :: 36.431 CG :: 25.215 CD :: 29.966 CE :: 41.67 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.679 HA :: 4.924 HB2 :: 1.921 HB3 :: 1.679 HG2 :: 1.321 HG3 :: 1.321 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.071 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 C 0.23 L 0.1 R 0.01 C Shift Assignments>> C :: 175.059 CA :: 53.749 CB :: 45.708 CG :: 27.717 CD1 :: 27.021 CD2 :: 26.192 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.06 HA :: 5.579 HB2 :: 1.328 HB3 :: 1.328 HG :: 1.222 HD11 :: 0.558 HD12 :: 0.558 HD13 :: 0.558 HD21 :: 0.026 HD22 :: 0.026 HD23 :: 0.026 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.363 Ave N Shift Values>> N :: 121.86(3.9) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 K 0.22 G 0.02 A 0.02 C Shift Assignments>> C :: 174.108 CA :: 55.045 CB :: 36.98 CG :: 24.058 CE :: 42.081 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.405 HA :: 4.607 HB2 :: 1.709 HB3 :: 1.623 HG3 :: 1.231 HE2 :: 2.891 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.771 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.16 A 0.08 R 0.02 G 0.01 HN Overlap>> 1.L65 1.L65 C Shift Assignments>> C :: 175.786 CA :: 53.134 CB :: 42.143 CG :: 26.486 CD1 :: 25.83 CD2 :: 22.972 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.493 HA :: 5.193 HB2 :: 1.568 HB3 :: 0.826 HG :: 0.998 HD11 :: 0.542 HD12 :: 0.542 HD13 :: 0.542 HD21 :: 0.127 HD22 :: 0.127 HD23 :: 0.127 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.022 Ave N Shift Values>> N :: 121.86(3.9) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.48 A 0.03 C Shift Assignments>> CA :: 58.176 CB :: 39.268 CG2 :: 19.122 CD1 :: 13.105 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.143 HA :: 4.507 HB :: 1.871 HG12 :: 1.582 HG13 :: 1.582 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 HD11 :: 0.79 HD12 :: 0.79 HD13 :: 0.79 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 114.03 Ave N Shift Values>> N :: 121.46(4.28) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.57 I 0.29 V 0.04 K 0.03 P 0.03 C Shift Assignments>> C :: 176.559 CA :: 63.091 CB :: 35.135 CG :: 25.464 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.525 HB2 :: 2.496 HB3 :: 2.057 HG2 :: 1.946 HG3 :: 1.946 HD2 :: 3.719 HD3 :: 3.594 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.35 L 0.25 D 0.14 R 0.13 C 0.04 F 0.01 N 0.01 K 0.01 C Shift Assignments>> CA :: 51.573 CB :: 43.579 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.295 HA :: 4.785 HB2 :: 2.895 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 121.459 Ave N Shift Values>> N :: 120.65(3.86) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 178.117 CA :: 65.206 CB :: 32.229 CG :: 27.431 CD :: 50.439 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.384 HB2 :: 2.394 HB3 :: 2.004 HG2 :: 2.055 HG3 :: 2.055 HD2 :: 3.978 HD3 :: 3.448 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.34 R 0.19 HN Overlap>> 1.R7 1.R7 C Shift Assignments>> C :: 175.893 CA :: 55.687 CB :: 31.886 CG :: 25.115 CD :: 28.789 CE :: 42.05 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.484 HA :: 4.372 HB2 :: 2.016 HG3 :: 1.394 HD3 :: 1.676 HE2 :: 2.959 HE3 :: 2.959 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.983 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 C 0.19 E 0.11 Y 0.1 F 0.07 M 0.06 D 0.04 L 0.01 K 0.01 I 0.01 C Shift Assignments>> C :: 175.064 CA :: 54.277 CB :: 37.295 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.121 HA :: 4.237 HB2 :: 3.09 HB3 :: 2.644 HD21 :: 7.598 HD22 :: 6.879 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.386 ND2 :: 113.109 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.33 M 0.18 Q 0.01 I 0.01 C Shift Assignments>> C :: 178.549 CA :: 57.416 CB :: 31.853 CG :: 36.553 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.993 HA :: 4.395 HB2 :: 2.02 HB3 :: 2.02 HG2 :: 2.298 HG3 :: 2.242 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.663 Ave N Shift Values>> N :: 120.67(3.48) 1.S54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.001 CA :: 59.819 CB :: 65.253 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.259(S) HA :: 4.582 HB2 :: 4.189 HB3 :: 4.092 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.323 Ave N Shift Values>> N :: 116.28(3.52) 1.K55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.44 R 0.07 C Shift Assignments>> C :: 176.199 CA :: 56.899 CB :: 32.97 CG :: 23.9 CD :: 29.483 CE :: 42.021 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.378 HA :: 4.916 HB2 :: 1.889 HB3 :: 1.683 HG2 :: 1.361 HG3 :: 1.309 HD3 :: 1.628 HE2 :: 2.888 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.061 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 C 0.24 K 0.2 E 0.06 H 0.05 R 0.04 W 0.02 Y 0.01 V 0.01 C Shift Assignments>> C :: 173.653 CA :: 55.4 CB :: 34.224 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.167 HA :: 4.656 HB2 :: 1.282 HB3 :: 1.282 HG2 :: 2.249 HG3 :: 2.249 HE21 :: 6.089 HE22 :: 5.881 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 123.158 NE2 :: 110.65 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 K 0.2 A 0.03 R 0.03 G 0.01 C Shift Assignments>> C :: 176.513 CA :: 54.849 CB :: 36.759 CG :: 23.636 CD :: 29.935 CE :: 42.04 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.753 HA :: 5.652 HB2 :: 1.876 HB3 :: 1.876 HG2 :: 1.408 HG3 :: 1.289 HD2 :: 1.442 HD3 :: 1.442 HE2 :: 2.68 HE3 :: 2.68 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.5 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 C 0.37 C Shift Assignments>> C :: 175.873 CA :: 61.054 CB :: 72.823 CG2 :: 20.136 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.471 HA :: 5.082 HB :: 4.793 HG21 :: 0.823 HG22 :: 0.823 HG23 :: 0.823 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.962 Ave N Shift Values>> N :: 115.42(4.75) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.43 R 0.1 C Shift Assignments>> C :: 177.533 CA :: 57.27 CB :: 33.07 CG :: 24.933 CD :: 29.034 CE :: 42.088 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 10.147 HA :: 4.367 HB2 :: 1.98 HB3 :: 1.98 HG2 :: 1.729 HG3 :: 1.729 HD2 :: 1.773 HD3 :: 1.773 HE2 :: 3.081 HE3 :: 3.081 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.491 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 174.468 CA :: 62.194 CB :: 69.675 CG2 :: 22.56 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.59 HA :: 4.809 HB :: 3.633 HG21 :: 0.92 HG22 :: 0.92 HG23 :: 0.92 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 120.675 Ave N Shift Values>> N :: 115.42(4.75) 1.I61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 I 0.31 A 0.01 C Shift Assignments>> C :: 174.281 CA :: 58.959 CB :: 36.669 CG1 :: 27.485 CG2 :: 18.683 CD1 :: 10.622 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.452 HA :: 4.283 HB :: 1.646 HG12 :: 1.287 HG13 :: 1.287 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 HD11 :: 0.522 HD12 :: 0.522 HD13 :: 0.522 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 130.775 Ave N Shift Values>> N :: 121.46(4.28) 1.R62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> R 0.56 C 0.41 G 0.01 C Shift Assignments>> C :: 177.605 CA :: 55.741 CB :: 30.422 CG :: 27.428 CD :: 42.36 CZ :: 159.198 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.118 HA :: 4.788 HB2 :: 1.9 HB3 :: 1.741 HG2 :: 1.728 HG3 :: 1.488 HD2 :: 3.048 HE :: 6.272 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.232 NE :: 77.014(S) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.S63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.876 CA :: 58.044 CB :: 61.807 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.372 HA :: 3.96 HB2 :: 3.975 HB3 :: 3.975 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.032 Ave N Shift Values>> N :: 116.28(3.52) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 170.153 CA :: 60.844 CB :: 68.776 CG2 :: 20.717 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.055 HA :: 4.711 HB :: 4.09 HG21 :: 0.7 HG22 :: 0.7 HG23 :: 0.7 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.343 Ave N Shift Values>> N :: 115.42(4.75) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 A 0.39 C 0.16 HN Overlap>> 1.L46 1.L46 C Shift Assignments>> C :: 175.36 CA :: 53.167 CB :: 41.553 CG :: 27.036 CD1 :: 24.633 CD2 :: 21.245 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.523 HA :: 4.486 HB2 :: 1.873 HB3 :: 1.472 HG :: 1.594 HD11 :: 1.019 HD12 :: 1.019 HD13 :: 1.019 HD21 :: 0.575 HD22 :: 0.575 HD23 :: 0.575 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.091 Ave N Shift Values>> N :: 121.86(3.9) 1.N66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.2 L 0.19 C 0.06 K 0.05 F 0.04 Y 0.02 R 0.01 C Shift Assignments>> CA :: 51.318 CB :: 41.511 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.661 HA :: 5.479 HB2 :: 2.605 HB3 :: 2.515 HD21 :: 7.604 HD22 :: 7.28 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.613 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 174.368 CA :: 62.899 CB :: 32.471 CD :: 51.248 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.922 HB2 :: 1.228 HB3 :: 0.08(S) HG2 :: 1.815 HG3 :: 1.498 HD2 :: 4.128 HD3 :: 3.755 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.Q68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.33 C 0.22 K 0.22 M 0.15 E 0.05 R 0.01 C Shift Assignments>> C :: 174.145 CA :: 54.821 CB :: 29.985 CG :: 33.651 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.626 HA :: 4.377 HB2 :: 2.018 HB3 :: 1.937 HG2 :: 2.257 HG3 :: 0.801(S) HE21 :: 7.389 HE22 :: 7.163 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.698 NE2 :: 109.005 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 W 0.33 HN Overlap>> 1.D81 1.D81 C Shift Assignments>> C :: 176.492 CA :: 62.075 CB :: 29.583 CD1 :: 127.819 CE2 :: 138.298 CZ2 :: 113.55 CZ3 :: 124.203 CH2 :: 122.651 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.284 HA :: 4.752 HB2 :: 3.386 HB3 :: 3.19 HD1 :: 7.446 HE1 :: 9.491 HE3 :: 7.271 HZ2 :: 6.901 HZ3 :: 6.678 HH2 :: 6.957 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.038 NE1 :: 129.576 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.N70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.17 Y 0.13 F 0.1 E 0.08 D 0.07 M 0.04 L 0.02 I 0.01 C Shift Assignments>> C :: 174.32 CA :: 54.59 CB :: 37.704 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 9.346 HA :: 4.571 HB2 :: 2.906 HB3 :: 2.89 HD21 :: 7.613 HD22 :: 6.779 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.955 ND2 :: 112.816 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> C :: 174.4 CA :: 56.4 CB :: 36.551(S) CG :: 38.333 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.163 HA :: 4.78 HB2 :: 2.068 HB3 :: 1.642 HG2 :: 2.411 HG3 :: 2.227 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.153 Ave N Shift Values>> N :: 120.67(3.48) 1.S72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 172.508 CA :: 57.017 CB :: 65.979 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.33 HA :: 5.664 HB2 :: 3.739 HB3 :: 3.545 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.933 Ave N Shift Values>> N :: 116.28(3.52) 1.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 G 0.33 C 0.13 C Shift Assignments>> C :: 175.418 CA :: 57.427 CB :: 44.142 CD1 :: 132.282 CD2 :: 132.282 CE1 :: 130.648 CE2 :: 130.648 CZ :: 128.73 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.237 HA :: 4.687 HB2 :: 2.713 HB3 :: 2.428 HD1 :: 7.088 HD2 :: 7.088 HE1 :: 6.943 HE2 :: 6.943 HZ :: 6.816 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.728 Ave N Shift Values>> N :: 120.45(4.18) 1.T74 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 :: 173.695 CA :: 61.768 CB :: 71.53 CG2 :: 22.096 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.235 HA :: 5.378 HB :: 3.787 HG21 :: 0.93 HG22 :: 0.93 HG23 :: 0.93 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.305 Ave N Shift Values>> N :: 115.42(4.75) 1.F75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.76 C 0.23 C Shift Assignments>> C :: 174.91 CA :: 56.197 CB :: 40.875 CD1 :: 131.863 CD2 :: 131.863 CE1 :: 130.488 CE2 :: 130.488 CZ :: 128.785 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 9.441 HA :: 4.68 HB2 :: 2.893 HB3 :: 2.893 HD1 :: 7.156 HD2 :: 7.156 HE1 :: 7.159 HE2 :: 7.159 HZ :: 6.777 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 125.283 Ave N Shift Values>> N :: 120.45(4.18) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.16 HN Overlap>> 1.A12 1.A12 C Shift Assignments>> C :: 175.826 CA :: 56.969 CB :: 31.853 CG :: 25.067 CD :: 28.986 CE :: 42.082 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.947 HA :: 4.381 HB2 :: 1.906 HB3 :: 1.732 HG2 :: 1.475 HG3 :: 1.34 HD2 :: 1.727 HD3 :: 1.768 HE2 :: 2.992 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.757 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 A 0.27 C 0.25 G 0.1 C Shift Assignments>> C :: 177.137 CA :: 54.119 CB :: 43.205 CG :: 26.517 CD1 :: 22.26 CD2 :: 21.715 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.359 HA :: 4.795 HB2 :: 1.616 HB3 :: 1.328 HG :: 1.572 HD11 :: 0.66 HD12 :: 0.66 HD13 :: 0.66 HD21 :: 0.63 HD22 :: 0.63 HD23 :: 0.63 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.585 Ave N Shift Values>> N :: 121.86(3.9) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 V 0.17 K 0.17 M 0.16 P 0.08 Q 0.06 R 0.05 H 0.04 W 0.03 E 0.02 HN Overlap>> 1.L124 1.L124 C Shift Assignments>> CB :: 32.671 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.437 HA :: 4.782 HB2 :: 1.914 HB3 :: 1.502 HE2 :: 2.986 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.453 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 178.765 CA :: 66.367 CB :: 31.603 CG :: 27.859 CD :: 50.29 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.244 HB2 :: 2.394 HB3 :: 1.966 HG2 :: 2.193 HG3 :: 2.002 HD2 :: 4.112 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.27 CA :: 59.472 CB :: 62.388 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.749 HA :: 4.288 HB2 :: 3.855 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 107.864 Ave N Shift Values>> N :: 116.28(3.52) 1.D81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.18 L 0.18 Y 0.14 D 0.11 C 0.07 R 0.03 I 0.02 N 0.01 HN Overlap>> 1.W69 1.W69 C Shift Assignments>> C :: 177.012 CA :: 57.083 CB :: 41.462 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.308 HA :: 4.525 HB2 :: 2.96 HB3 :: 2.631 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.063 Ave N Shift Values>> N :: 120.65(3.86) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.41 R 0.12 C Shift Assignments>> C :: 175.907 CA :: 59.411 CB :: 31.738 CG :: 24.454 CD :: 29.08 CE :: 42.217 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.325 HA :: 3.849 HB2 :: 1.869 HB3 :: 1.869 HG2 :: 1.428 HG3 :: 1.428 HD2 :: 1.664 HD3 :: 1.664 HE2 :: 2.983 HE3 :: 2.983 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.96 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.13 F 0.09 N 0.07 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> C :: 176.423 CA :: 54.403 CB :: 41.434 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.323 HA :: 4.99 HB2 :: 3.001 HB3 :: 2.556 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.287 Ave N Shift Values>> N :: 120.65(3.86) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.47 R 0.02 C Shift Assignments>> C :: 175.129 CA :: 57.165 CB :: 33.225 CG :: 28.829 CD :: 45.551 CZ :: 160.549 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.732 HA :: 4.792 HB2 :: 2.059 HB3 :: 1.897 HG2 :: 1.938 HG3 :: 1.558 HD2 :: 3.142 HD3 :: 3.142 HE :: 6.439 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.554 NE :: 83.097 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.R85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.33 R 0.24 G 0.01 C Shift Assignments>> C :: 175.041 CA :: 55.072 CB :: 32.846 CD :: 42.441 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.027 HA :: 5.036 HB2 :: 1.48 HB3 :: 1.286 HG2 :: 1.666 HE :: 7.332 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 116.965 NE :: 84.451 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.21 R 0.17 A 0.12 G 0.02 C Shift Assignments>> C :: 174.273 CA :: 53.989 CB :: 42.583 CG :: 27.445 CD1 :: 26.533 CD2 :: 22.321 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.243 HA :: 4.525 HB2 :: 1.647 HB3 :: 0.804 HG :: 1.264 HD11 :: 0.52 HD12 :: 0.52 HD13 :: 0.52 HD21 :: 0.37 HD22 :: 0.37 HD23 :: 0.37 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.287 Ave N Shift Values>> N :: 121.86(3.9) 1.S87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.834 CA :: 56.532 CB :: 64.043 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.447 HA :: 4.57 HB2 :: 3.663 HB3 :: 3.547 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 123.757 Ave N Shift Values>> N :: 116.28(3.52) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 HN Overlap>> 1.R24 1.R24 C Shift Assignments>> C :: 173.981 CA :: 61.34 CB :: 33.015 CG1 :: 20.924 CG2 :: 19.11 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.361 HA :: 4.432 HB :: 1.878 HG11 :: 0.539 HG12 :: 0.539 HG13 :: 0.539 HG21 :: 0.639 HG22 :: 0.639 HG23 :: 0.639 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.303 Ave N Shift Values>> N :: 121.14(4.54) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 M 0.14 E 0.01 Q 0.01 C Shift Assignments>> C :: 174.467 CA :: 53.734 CB :: 34.877 CG :: 35.101 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.736 HA :: 4.783 HB2 :: 1.91 HB3 :: 1.55 HG2 :: 2.553 HG3 :: 2.352 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.517 Ave N Shift Values>> N :: 120.67(3.48) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.42 C Shift Assignments>> C :: 173.966 CA :: 60.6 CB :: 37.59 CG1 :: 27.956 CG2 :: 19.198 CD1 :: 16.233 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.172 HA :: 4.859 HB :: 1.421 HG12 :: 1.362 HG13 :: 1.362 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 HD11 :: 0.827 HD12 :: 0.827 HD13 :: 0.827 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.102 Ave N Shift Values>> N :: 121.46(4.28) 1.W91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 W 0.39 C Shift Assignments>> C :: 171.921 CA :: 55.543 CB :: 33.147 CD1 :: 124.764 CE2 :: 138.947 CZ2 :: 114.758 CH2 :: 124.779 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.677 HA :: 4.481 HB2 :: 2.772 HB3 :: 2.772 HD1 :: 6.695 HE1 :: 11.11 HZ2 :: 7.582 HH2 :: 7.321 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 128.015 NE1 :: 132.495 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.29 R 0.12 K 0.07 N 0.06 C 0.04 G 0.04 F 0.03 Y 0.02 C Shift Assignments>> C :: 175.903 CA :: 52.163 CB :: 42.559 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.479 HA :: 4.849 HB2 :: 2.734 HB3 :: 3.321 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.21 Ave N Shift Values>> N :: 120.65(3.86) 1.W93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 175.758 CB :: 29.775 CD1 :: 127.416 CE2 :: 138.823 CZ2 :: 114.139 CZ3 :: 121.483 CH2 :: 124.334 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.582 HA :: 4.489 HB2 :: 3.969 HB3 :: 3.597 HD1 :: 7.24 HE1 :: 10.13 HZ2 :: 7.412 HZ3 :: 6.986 HH2 :: 7.138 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 127.377 NE1 :: 130.549 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.D94 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 173.15 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.697 HA :: 4.479 HB2 :: 2.538 HB3 :: 2.538 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 130.25 Ave N Shift Values>> N :: 120.65(3.86) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.96 G 0.03 C Shift Assignments>> CG :: 27.524 CD :: 42.451 CZ :: 159.406 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.722 HA :: 4.787 HB2 :: 1.722 HB3 :: 1.551 HD2 :: 3.669 HE :: 7.119 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 117.931 NE :: 84.043 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.T96 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.007 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.614 Ave N Shift Values>> N :: 115.42(4.75) 1.T97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 V 0.03 C Shift Assignments>> C :: 175.816 CB :: 69.776 CG2 :: 21.894 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.247 HA :: 4.306 HB :: 4.403 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.685 Ave N Shift Values>> N :: 115.42(4.75) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 C 0.4 G 0.06 K 0.04 C Shift Assignments>> C :: 176.865 CA :: 56.542 CB :: 30.747 CG :: 27.024 CD :: 43.365 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.963 HA :: 4.295 HB2 :: 1.79 HB3 :: 1.79 HG2 :: 1.58 HD2 :: 3.168 HD3 :: 3.168 HE :: 7.253 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.055 NE :: 84.971 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.N99 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 R 0.14 Q 0.14 E 0.13 W 0.13 C 0.11 K 0.09 M 0.06 C Shift Assignments>> C :: 174.451 CA :: 56.227 CB :: 30.009(S) Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.47 HA :: 4.953 HB2 :: 2.744 HD21 :: 7.653 HD22 :: 6.817 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 122.887 ND2 :: 113.493 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D100 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent HN Overlap>> 1.E138 1.E138 C Shift Assignments>> C :: 175.185 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.547 HA :: 5.267 HB2 :: 3.268 HB3 :: 3.137 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.561 Ave N Shift Values>> N :: 120.65(3.86) 1.F101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.37 C 0.21 C Shift Assignments>> C :: 174.625 CA :: 60.244 CB :: 38.946 CD1 :: 131.754 CD2 :: 131.754 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.896 HA :: 4.476 HB2 :: 2.784 HD1 :: 6.243 HD2 :: 6.243 HE1 :: 6.869 HE2 :: 6.869 HZ :: 7.303 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 127.065 Ave N Shift Values>> N :: 120.45(4.18) 1.M102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.33 A 0.08 V 0.07 C Shift Assignments>> C :: 176.877 CA :: 56.985 CB :: 32.496 CE :: 19.104 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.624 HA :: 4.21 HB2 :: 2.158 HB3 :: 2.158 HE1 :: 2.173 HE2 :: 2.173 HE3 :: 2.173 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 122.52 Ave N Shift Values>> N :: 120.09(3.57) 1.G103 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> C :: 170.675 CA :: 47.002 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.013(S) HA2 :: 3.952 HA3 :: 3.739 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.427 Ave N Shift Values>> N :: 109.67(3.87) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 S 0.12 C Shift Assignments>> C :: 172.594 CA :: 57.478 CB :: 68.005 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.257 HA :: 5.492 HB2 :: 4.299 HB3 :: 4.089 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.718 Ave N Shift Values>> N :: 116.28(3.52) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.42 K 0.03 G 0.03 C Shift Assignments>> C :: 175.009 CA :: 57.082 CB :: 42.93 CG :: 26.736 CD1 :: 27.387 CD2 :: 29.453 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.721 HA :: 4.803 HB2 :: 2.461 HB3 :: 1.476 HG :: 1.259 HD11 :: 0.747 HD12 :: 0.747 HD13 :: 0.747 HD21 :: 0.348 HD22 :: 0.348 HD23 :: 0.348 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 111.307 Ave N Shift Values>> N :: 121.86(3.9) 1.S106 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 :: 171.973 CA :: 57.55 CB :: 66.073 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.518 HA :: 5.295 HB2 :: 4.098 HB3 :: 3.347 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 107.584 Ave N Shift Values>> N :: 116.28(3.52) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.4 G 0.26 Y 0.22 C 0.1 C Shift Assignments>> C :: 176.395 CA :: 55.551 CB :: 43.94 CD1 :: 131.899 CD2 :: 131.899 CE1 :: 130.625 CE2 :: 130.625 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.423 HA :: 4.604 HB2 :: 2.867 HB3 :: 2.359 HD1 :: 6.851 HD2 :: 6.851 HE1 :: 6.597 HE2 :: 6.597 HZ :: 6.291 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 114.258 Ave N Shift Values>> N :: 120.45(4.18) 1.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 174.967 CA :: 46.686 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.603 HA2 :: 4.177 HA3 :: 4.078 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.982 Ave N Shift Values>> N :: 109.67(3.87) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.897 CA :: 68.336 CB :: 30.642 CG1 :: 22.403 CG2 :: 23.678 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.691 HA :: 3.392 HB :: 2.268 HG11 :: 0.687 HG12 :: 0.687 HG13 :: 0.687 HG21 :: 0.622 HG22 :: 0.622 HG23 :: 0.622 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 128.463 Ave N Shift Values>> N :: 121.14(4.54) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.22 V 0.2 P 0.08 C 0.07 F 0.03 Y 0.03 S 0.03 W 0.02 C Shift Assignments>> C :: 177.12 CA :: 61.822 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.305 HA :: 4.307 HB2 :: 4.02 HB3 :: 4.02 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.564 Ave N Shift Values>> N :: 116.28(3.52) 1.E111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.32 I 0.12 K 0.1 Q 0.07 M 0.01 C Shift Assignments>> C :: 178.688 CA :: 59.246 CB :: 29.272 CG :: 35.813 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.025 HA :: 4.147 HB2 :: 2.366 HB3 :: 2.366 HG2 :: 2.458 HG3 :: 2.436 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.859 Ave N Shift Values>> N :: 120.67(3.48) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.34 R 0.16 G 0.03 A 0.01 C Shift Assignments>> C :: 178.533 CA :: 56.17 CB :: 42.802 CG :: 26.59 CD1 :: 23.228 CD2 :: 26.648 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.783 HA :: 4.414 HB2 :: 1.886 HB3 :: 0.945 HG :: 1.74 HD11 :: 0.45 HD12 :: 0.45 HD13 :: 0.45 HD21 :: 0.39 HD22 :: 0.39 HD23 :: 0.39 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.943 Ave N Shift Values>> N :: 121.86(3.9) 1.M113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 M 0.37 I 0.01 V 0.01 C Shift Assignments>> C :: 177.46 CA :: 59.026 CB :: 32.985 CE :: 17.013 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.847 HA :: 3.896 HB2 :: 2.418 HB3 :: 2.138 HG2 :: 2.783 HG3 :: 2.783 HE1 :: 2.008 HE2 :: 2.008 HE3 :: 2.008 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 115.602 Ave N Shift Values>> N :: 120.09(3.57) 1.K114 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.45 C 0.43 R 0.1 C Shift Assignments>> C :: 176.655 CA :: 57.661 CB :: 33.537 CG :: 24.935 CD :: 29.016 CE :: 42.227 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.161 HA :: 4.289 HB2 :: 1.952 HB3 :: 1.952 HG2 :: 1.613 HG3 :: 1.481 HD2 :: 1.735 HD3 :: 1.735 HE2 :: 3.02 HE3 :: 3.02 HZ1 :: 4.764(U) HZ2 :: 4.764(U) HZ3 :: 4.764(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.7 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.45 M 0.37 C 0.16 C Shift Assignments>> CA :: 53.005 CB :: 34.436 CG :: 31.65 CE :: 17.692 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.061 HA :: 4.952 HB2 :: 2.134 HB3 :: 1.994 HG2 :: 2.651 HG3 :: 2.564 HE1 :: 2.077 HE2 :: 2.077 HE3 :: 2.077 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.922 Ave N Shift Values>> N :: 120.09(3.57) 1.P116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 176.404 CA :: 63.361 CB :: 32.852 CG :: 27.337 CD :: 50.819 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.554 HB2 :: 2.484 HB3 :: 1.9 HG2 :: 2.14 HG3 :: 2.14 HD2 :: 3.809 HD3 :: 3.657 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 177.97 CA :: 51.185 CB :: 21.034 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.435 HA :: 4.539 HB1 :: 0.792 HB2 :: 0.792 HB3 :: 0.792 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.765 Ave N Shift Values>> N :: 123.23(3.54) 1.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K11 1.K11 C Shift Assignments>> C :: 173.476 CA :: 57.91 CB :: 64.076 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.228 HA :: 5.128 HB2 :: 3.826 HB3 :: 3.78 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.241 Ave N Shift Values>> N :: 116.28(3.52) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 170.586 CA :: 44.66 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.692 HA2 :: 4.341 HA3 :: 3.115 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.583 Ave N Shift Values>> N :: 109.67(3.87) 1.W120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.43 C Shift Assignments>> C :: 177.579 CA :: 56.458 CB :: 31.669 CD1 :: 127.942 CE2 :: 139.126 CZ2 :: 114.613 CH2 :: 125.726 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.192 HA :: 5.181 HB2 :: 3.29 HB3 :: 2.862 HD1 :: 7.486 HE1 :: 10.344 HE3 :: 7.374 HZ2 :: 7.469 HZ3 :: 6.954 HH2 :: 7.236 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 116.757 NE1 :: 130.049 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.49 C 0.21 F 0.17 G 0.12 C Shift Assignments>> C :: 175.514 CA :: 57.937 CB :: 43.226 CD1 :: 133.258 CD2 :: 133.258 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.77 HA :: 4.948 HB2 :: 3.167 HB3 :: 2.568 HD1 :: 7.185 HD2 :: 7.185 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.043 Ave N Shift Values>> N :: 120.52(4.2) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.37 R 0.21 C Shift Assignments>> C :: 176.308 CA :: 57.05 CB :: 34.288 CG :: 25.643 CD :: 29.951 CE :: 42.047 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.628 HA :: 4.288 HB2 :: 1.92 HB3 :: 1.769 HG2 :: 1.644 HG3 :: 1.449 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.361 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.43 C 0.3 R 0.23 G 0.01 C Shift Assignments>> C :: 176.17 CA :: 55.918 CB :: 42.363 CG :: 27.987 CD1 :: 26.302 CD2 :: 23.976 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.853 HA :: 4.298 HB2 :: 1.587 HB3 :: 1.032 HG :: 1.426 HD11 :: 0.71 HD12 :: 0.71 HD13 :: 0.71 HD21 :: 0.624 HD22 :: 0.624 HD23 :: 0.624 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.754 Ave N Shift Values>> N :: 121.86(3.9) 1.L124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 C 0.23 R 0.16 A 0.16 G 0.06 HN Overlap>> 1.K78 1.K78 C Shift Assignments>> C :: 176.906 CA :: 53.79 CB :: 42.982 CG :: 27.057 CD1 :: 22.301 CD2 :: 26.379 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.444 HA :: 4.78 HB3 :: 1.915 HG :: 1.933 HD11 :: 0.786 HD12 :: 0.786 HD13 :: 0.786 HD21 :: 0.676 HD22 :: 0.676 HD23 :: 0.676 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.556 Ave N Shift Values>> N :: 121.86(3.9) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.11 D 0.1 Y 0.06 F 0.05 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 174.155 CA :: 52.828 CB :: 38.157 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.512 HA :: 4.537 HB2 :: 3.056 HD21 :: 7.634 HD22 :: 7.03 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.616 ND2 :: 113.377 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q126 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.42 R 0.17 K 0.16 Q 0.15 P 0.03 I 0.01 M 0.01 C Shift Assignments>> C :: 178.109 CA :: 59.585 CB :: 27.513 CG :: 32.959 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.203 HA :: 3.355 HB2 :: 1.287 HB3 :: 0.179(S) HG2 :: 1.898 HG3 :: 1.51 HE21 :: 7.588 HE22 :: 6.651 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.468 NE2 :: 110.367 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.32 I 0.2 K 0.06 Q 0.02 C Shift Assignments>> C :: 178.182 CA :: 59.072 CB :: 28.891 CG :: 36.468 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.523 HA :: 4.061 HB2 :: 2.022 HB3 :: 2.005 HG2 :: 2.257 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.482 Ave N Shift Values>> N :: 120.67(3.48) 1.E128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 E 0.35 I 0.07 M 0.06 C Shift Assignments>> C :: 179.052 CA :: 58.756 CB :: 30.951 CG :: 37.122 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.041 HA :: 4.221 HB2 :: 2.035 HB3 :: 2.035 HG2 :: 2.433 HG3 :: 2.433 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.183 Ave N Shift Values>> N :: 120.67(3.48) 1.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 176.217 CA :: 46.7 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.596 HA2 :: 3.754 HA3 :: 3.754 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.427 Ave N Shift Values>> N :: 109.67(3.87) 1.E130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.35 I 0.13 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> C :: 176.046 CA :: 57.933 CB :: 29.032 CG :: 36.545 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.249 HA :: 3.83 HB2 :: 1.572 HB3 :: 1.572 HG2 :: 2.295 HG3 :: 1.869 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.098 Ave N Shift Values>> N :: 120.67(3.48) 1.Y131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.27 HN Overlap>> 1.N35 1.N35 C Shift Assignments>> C :: 174.592 CA :: 58.293 CB :: 41.336 CD1 :: 133.396 CE1 :: 118.266 CE2 :: 118.266 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.635 HA :: 4.318 HB2 :: 2.609 HB3 :: 2.447 HD1 :: 7.04 HD2 :: 6.269 HE1 :: 6.758 HE2 :: 6.758 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.407 Ave N Shift Values>> N :: 120.52(4.2) 1.Y132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 C 0.41 F 0.05 C Shift Assignments>> C :: 172.894 CA :: 56.679 CB :: 41.385 CD1 :: 134.239 CD2 :: 134.239 CE2 :: 117.844 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.196 HA :: 4.915 HB2 :: 3.109 HB3 :: 2.724 HD1 :: 7.084 HD2 :: 7.084 HE2 :: 6.729 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 114.301 Ave N Shift Values>> N :: 120.52(4.2) 1.N133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.24 R 0.17 K 0.06 G 0.05 C 0.04 F 0.03 N 0.03 Y 0.02 C Shift Assignments>> C :: 173.346 CA :: 52.901 CB :: 42.889 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.983 HA :: 4.724 HB2 :: 2.319 HB3 :: 1.975 HD22 :: 7.253 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 111.201 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 V 0.14 K 0.1 Q 0.09 E 0.09 M 0.08 I 0.04 Y 0.03 W 0.02 R 0.01 H 0.01 F 0.01 C Shift Assignments>> CA :: 59.717 CB :: 34.63 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 9.823 HA :: 4.683 HB :: 2.136 HG11 :: 1.009 HG12 :: 1.009 HG13 :: 1.009 HG21 :: 1.009 HG22 :: 1.009 HG23 :: 1.009 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.997 Ave N Shift Values>> N :: 121.14(4.54) 1.P135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.6 C 0.39 C Shift Assignments>> C :: 176.719 CA :: 62.485 CB :: 32.888 CG :: 27.173 CD :: 51.378 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.31 HB2 :: 2.243 HB3 :: 1.782 HG2 :: 2.24 HG3 :: 2.19 HD2 :: 4.032 HD3 :: 4.032 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.I136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.44 A 0.01 C Shift Assignments>> CA :: 58.088 CB :: 39.127 CG1 :: 27.028 CG2 :: 17.38 CD1 :: 14.361 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.998 HA :: 4.506 HB :: 1.663 HG12 :: 1.438 HG13 :: 0.94 HG21 :: 0.794 HG22 :: 0.794 HG23 :: 0.794 HD11 :: 0.693 HD12 :: 0.693 HD13 :: 0.693 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.8 Ave N Shift Values>> N :: 121.46(4.28) 1.P137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.858 CA :: 63.292 CB :: 32.165 CG :: 27.293 CD :: 50.888 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.544 HB2 :: 2.336 HB3 :: 2.002 HG2 :: 2.01 HG3 :: 2.01 HD2 :: 3.707 HD3 :: 3.707 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 M 0.15 Q 0.04 K 0.02 I 0.01 HN Overlap>> 1.D100 1.D100 C Shift Assignments>> C :: 175.814 CA :: 56.685 CB :: 30.881 CG :: 36.301 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.514 HA :: 4.331 HB2 :: 2.126 HB3 :: 2.015 HG2 :: 2.348 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.568 Ave N Shift Values>> N :: 120.67(3.48) 1.G139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.149 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.987 HA2 :: 3.689 HA3 :: 3.689 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.113 Ave N Shift Values>> N :: 109.67(3.87) 2.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 124 #Clerical: 1 #Suspicious: 11 #Anomalous: 0 #Mistyped: 3 #Indeterminable: 0 Typing Results: #Consistent: 133 #Suspicious: 0 #Mistyped: 3 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 139 #Suspicious: 0 C Shift Results: #Consistent: 600 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 H Shift Results: #Consistent: 951 #Duplicate: 0 #Unknown: 3 #Suspicious: 13 #Anomalous: 0 N Shift Results: #Consistent: 147 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.R7 Typing: Mistyped 1.R7 CG = 33.33(S), Expected = 27.21, Std = 1.2000, ChiSquare = 3.3965e-07 1.R7 HG2 = 2.482(S), Expected = 1.57, Std = 0.2700, ChiSquare = 7.3074e-04 1.Y9 HD1 = 5.522(S), Expected = 6.93, Std = 0.3000, ChiSquare = 2.6879e-06 1.Y9 HD2 = 5.522(S), Expected = 6.93, Std = 0.3000, ChiSquare = 2.6879e-06 1.A26 HA = 5.737(S), Expected = 4.26, Std = 0.4400, ChiSquare = 7.8845e-04 1.P31 Typing: Mistyped 1.P31 CB = 36.392(S), Expected = 31.85, Std = 1.1800, ChiSquare = 1.1853e-04 1.P40 HA = 5.732(S), Expected = 4.40, Std = 0.3300, ChiSquare = 5.4286e-05 1.V42 HG21 = -0.415(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.4295e-05 1.V42 HG22 = -0.415(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.4295e-05 1.V42 HG23 = -0.415(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.4295e-05 1.S54 H = 10.259(S), Expected = 8.28, Std = 0.5900, ChiSquare = 7.9584e-04 1.R62 NE = 77.014(S), Expected = 84.63, Std = 1.6800, ChiSquare = 5.8060e-06 1.P67 HB3 = 0.08(S), Expected = 2.00, Std = 0.3600, ChiSquare = 9.6426e-08 1.Q68 HG3 = 0.801(S), Expected = 2.29, Std = 0.2900, ChiSquare = 2.8292e-07 1.E71 CB = 36.551(S), Expected = 30.01, Std = 1.7200, ChiSquare = 1.4301e-04 1.N99 Typing: Mistyped 1.N99 CB = 30.009(S), Expected = 38.69, Std = 1.6900, ChiSquare = 2.7963e-07 1.G103 H = 6.013(S), Expected = 8.33, Std = 0.6500, ChiSquare = 3.6439e-04 1.K114 HZ1 = 4.764(U) 1.K114 HZ2 = 4.764(U) 1.K114 HZ3 = 4.764(U) 1.Q126 HB3 = 0.179(S), Expected = 2.02, Std = 0.2800, ChiSquare = 4.8653e-11