Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.H1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.51 C 0.36 Q 0.1 K 0.01 C Shift Assignments>> C :: 176.368 CA :: 55.522 CB :: 32.356 CG :: 32.199 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>> HA :: 4.494 HB2 :: 1.954 HB3 :: 2.113 HG2 :: 2.536 HG3 :: 2.536 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) 1.G3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 173.977 CA :: 45.060 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.973 HA2 :: 3.833 HA3 :: 3.947 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.788 Ave N Shift Values>> N :: 109.67(3.87) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.38 R 0.15 C Shift Assignments>> C :: 176.217 CA :: 56.477 CB :: 33.060 CG :: 24.461 CD :: 28.758 CE :: 42.174 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 :: 8.319 HA :: 4.305 HB2 :: 1.780 HB3 :: 1.780 HG2 :: 1.397 HG3 :: 1.397 HE2 :: 2.979 HE3 :: 2.979 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 :: 121.256 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 D 0.18 C 0.08 F 0.06 Y 0.06 L 0.05 HN Overlap>> 1.V92 1.V92 C Shift Assignments>> C :: 175.083 CA :: 52.861 CB :: 38.945 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 :: 8.625 HA :: 4.726 HB2 :: 2.664 HB3 :: 2.830 HD21 :: 7.630 HD22 :: 6.906 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 :: 119.835 ND2 :: 112.839 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.2 F 0.13 Y 0.1 N 0.09 K 0.08 C 0.06 C Shift Assignments>> C :: 176.297 CA :: 55.096 CB :: 40.843 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 :: 8.304 HA :: 4.509 HB2 :: 2.522 HB3 :: 2.675 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 :: 121.107 Ave N Shift Values>> N :: 120.65(3.86) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 D 0.16 C 0.1 Y 0.1 F 0.09 L 0.05 E 0.01 M 0.01 HN Overlap>> 1.E75 1.E75 C Shift Assignments>> C :: 175.281 CA :: 53.878 CB :: 38.715 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 :: 8.433 HA :: 4.697 HB2 :: 2.735 HB3 :: 2.838 HD21 :: 7.629 HD22 :: 6.905 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 :: 118.390 ND2 :: 113.338 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.11 F 0.1 N 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 175.720 CA :: 54.447 CB :: 41.163 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 :: 8.282 HA :: 4.667 HB2 :: 2.713 HB3 :: 2.713 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 :: 120.502 Ave N Shift Values>> N :: 120.65(3.86) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.09 C 0.02 L 0.01 HN Overlap>> 1.C54 1.C54 C Shift Assignments>> C :: 176.147 CA :: 52.865 CB :: 19.466 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.945 HA :: 4.264 HB1 :: 1.452 HB2 :: 1.452 HB3 :: 1.452 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.568 Ave N Shift Values>> N :: 123.23(3.54) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 G 0.2 C 0.15 A 0.07 R 0.02 C Shift Assignments>> C :: 176.234 CA :: 53.601 CB :: 43.909 CG :: 26.222 CD1 :: 25.717 CD2 :: 22.871 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 :: 8.042 HA :: 4.831 HB2 :: 1.077 HB3 :: 1.641 HG :: 1.628 HD11 :: 0.857 HD12 :: 0.857 HD13 :: 0.857 HD21 :: 0.753 HD22 :: 0.753 HD23 :: 0.753 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 :: 120.771 Ave N Shift Values>> N :: 121.86(3.9) 1.I11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 I 0.36 A 0.02 C Shift Assignments>> C :: 177.132 CA :: 58.157 CB :: 40.049 CG1 :: 27.268 CG2 :: 17.833 CD1 :: 10.630 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 :: 9.380 HA :: 4.415 HB :: 1.780 HG12 :: 1.234 HG13 :: 0.909 HG21 :: 0.527 HG22 :: 0.527 HG23 :: 0.527 HD11 :: 0.486 HD12 :: 0.486 HD13 :: 0.486 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 :: 123.891 Ave N Shift Values>> N :: 121.46(4.28) 1.M12 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> M 0.49 C 0.4 A 0.1 C Shift Assignments>> C :: 173.261 CA :: 55.678 CB :: 32.726 CG :: 30.827 CE :: 16.634 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 :: 9.210 HA :: 4.416 HB2 :: 1.883 HB3 :: 1.990 HG2 :: 2.262 HG3 :: 2.262 HE1 :: 1.969 HE2 :: 1.969 HE3 :: 1.969 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 :: 133.029(S) Ave N Shift Values>> N :: 120.09(3.57) 1.C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.14 R 0.12 E 0.11 H 0.09 K 0.09 V 0.07 M 0.07 Q 0.05 I 0.01 C Shift Assignments>> C :: 177.865 CA :: 59.159 CB :: 31.285 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.360 HA :: 4.632 HB2 :: 3.018 HB3 :: 3.579 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 132.043 Ave N Shift Values>> N :: 120.17(4.64) 1.M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.45 A 0.01 C Shift Assignments>> C :: 176.025 CA :: 58.065 CB :: 32.868 CG :: 31.174 CE :: 16.957 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 :: 9.302 HA :: 4.260 HB2 :: 2.278 HB3 :: 2.183 HG2 :: 2.586 HG3 :: 2.492 HE1 :: 1.992 HE2 :: 1.992 HE3 :: 1.992 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 :: 127.881 Ave N Shift Values>> N :: 120.09(3.57) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.38 K 0.19 G 0.01 C Shift Assignments>> CA :: 58.069 CB :: 30.685 CG :: 27.889 CD :: 42.665 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 :: 9.397 HA :: 4.510 HB2 :: 1.770 HB3 :: 2.237 HG2 :: 1.574 HG3 :: 1.574 HD2 :: 3.141 HD3 :: 2.993 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 :: 123.695 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.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.16 R 0.11 E 0.11 H 0.09 V 0.07 K 0.07 Q 0.05 M 0.05 I 0.02 HN Overlap>> 1.I22 1.I22 C Shift Assignments>> C :: 175.996 CA :: 59.388 CB :: 31.013 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.379 HA :: 4.597 HB2 :: 2.718 HB3 :: 3.068 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.868 Ave N Shift Values>> N :: 120.17(4.64) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.3 K 0.12 R 0.05 G 0.01 C Shift Assignments>> C :: 174.825 CA :: 56.862 CB :: 25.929 CG :: 26.747 CD :: 42.438 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 :: 7.695 HA :: 4.192 HB2 :: 2.052 HB3 :: 2.121 HG2 :: 1.513 HG3 :: 1.417 HD2 :: 3.115 HD3 :: 3.115 HE :: 7.125 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 :: 115.474 NE :: 84.449 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.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.32 R 0.13 G 0.01 C Shift Assignments>> C :: 176.163 CA :: 54.781 CB :: 33.778 CG :: 25.279 CD :: 28.760 CE :: 42.191 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 :: 7.828 HA :: 4.635 HB2 :: 1.714 HB3 :: 1.994 HG2 :: 1.473 HG3 :: 1.473 HD2 :: 1.672 HD3 :: 1.672 HE2 :: 2.980 HE3 :: 2.980 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 :: 118.463 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V19 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 :: 175.914 CA :: 61.960 CB :: 31.368 CG1 :: 22.980 CG2 :: 20.228 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 :: 8.386 HA :: 4.183 HB :: 1.899 HG11 :: 0.832 HG12 :: 0.832 HG13 :: 0.832 HG21 :: 0.943 HG22 :: 0.943 HG23 :: 0.943 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 :: 119.364 Ave N Shift Values>> N :: 121.14(4.54) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 K 0.03 C Shift Assignments>> C :: 175.005 CA :: 55.031 CB :: 37.949 CG :: 25.750 CD :: 30.454 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 :: 8.491 HA :: 4.875 HB2 :: 1.795 HB3 :: 2.125 HG2 :: 1.310 HG3 :: 1.310 HD2 :: 1.623 HD3 :: 1.623 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 :: 125.624 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 L 0.29 G 0.1 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 174.685 CA :: 43.539 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.541 HA2 :: 3.804 HA3 :: 5.099 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.395 Ave N Shift Values>> N :: 109.67(3.87) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 HN Overlap>> 1.C16 1.C16 C Shift Assignments>> C :: 176.000 CA :: 64.157 CB :: 38.315 CG1 :: 27.967 CG2 :: 14.715 CD1 :: 14.349 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 :: 8.339 HA :: 2.385 HB :: 0.919 HG12 :: 0.282 HG13 :: 0.282 HG21 :: 0.645 HG22 :: 0.645 HG23 :: 0.645 HD11 :: 0.447 HD12 :: 0.447 HD13 :: 0.447 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 :: 118.953 Ave N Shift Values>> N :: 121.46(4.28) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.18 Y 0.16 L 0.16 N 0.09 C 0.09 K 0.03 I 0.01 C Shift Assignments>> C :: 177.858 CA :: 55.721 CB :: 40.293 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 :: 8.123 HA :: 4.446 HB2 :: 2.517 HB3 :: 2.673 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 :: 118.203 Ave N Shift Values>> N :: 120.65(3.86) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.212 CA :: 59.106 CB :: 64.232 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.446 HA :: 4.441 HB2 :: 3.849 HB3 :: 3.849 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 :: 114.585 Ave N Shift Values>> N :: 116.28(3.52) 1.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.23 F 0.09 C 0.07 G 0.06 Y 0.05 K 0.05 D 0.04 C Shift Assignments>> C :: 175.724 CA :: 57.417 CB :: 43.508 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 :: 7.538 HA :: 5.023 HB2 :: 2.872 HB3 :: 3.298 HD1 :: 7.166 HD2 :: 7.166 HE1 :: 6.958 HE2 :: 6.958 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 :: 118.586 Ave N Shift Values>> N :: 120.52(4.2) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.981 CA :: 57.203 CB :: 64.490 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.822 HA :: 4.568 HB2 :: 4.490 HB3 :: 4.123 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 :: 119.472 Ave N Shift Values>> N :: 116.28(3.52) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 K 0.44 R 0.06 C Shift Assignments>> C :: 179.868 CA :: 60.222 CB :: 32.117 CG :: 25.079 CD :: 29.195 CE :: 41.910 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 :: 9.211 HA :: 4.193 HB2 :: 1.945 HB3 :: 2.008 HG2 :: 1.567 HG3 :: 1.567 HD2 :: 1.641 HD3 :: 1.752 HE2 :: 3.036 HE3 :: 3.036 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 :: 123.614 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 177.418 CA :: 65.757 CB :: 68.591 CG2 :: 22.078 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 :: 8.290 HA :: 4.045 HB :: 4.213 HG21 :: 1.270 HG22 :: 1.270 HG23 :: 1.270 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 :: 113.002 Ave N Shift Values>> N :: 115.42(4.75) 1.Q29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.31 Q 0.25 K 0.24 E 0.09 R 0.03 I 0.02 M 0.01 HN Overlap>> 1.R40 1.R40 C Shift Assignments>> C :: 177.687 CA :: 58.612 CB :: 28.759 CG :: 34.144 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 :: 7.768 HA :: 4.019 HB2 :: 2.421 HB3 :: 2.421 HG2 :: 3.237(S) HG3 :: 3.237 HE21 :: 7.590 HE22 :: 7.012 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 :: 120.573 NE2 :: 114.066 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.17 E 0.12 R 0.09 H 0.09 I 0.08 K 0.08 Q 0.07 V 0.03 M 0.02 C Shift Assignments>> C :: 179.052 CA :: 59.661 CB :: 29.827 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 :: 9.140 HA :: 4.034 HB2 :: 3.250 HB3 :: 3.464 HD1 :: 7.283 HE1 :: 9.986 HE3 :: 7.545 HZ2 :: 7.437 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 :: 119.186 NE1 :: 128.360 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.960 CA :: 61.050 CB :: 62.209 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.124 HA :: 3.983 HB2 :: 3.956 HB3 :: 3.956 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 :: 113.240 Ave N Shift Values>> N :: 116.28(3.52) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.15 HN Overlap>> 1.Q68 1.Q68 C Shift Assignments>> C :: 177.289 CA :: 56.951 CB :: 31.777 CG :: 25.054 CD :: 29.087 CE :: 42.046 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 :: 7.337 HA :: 4.148 HB2 :: 1.786 HB3 :: 1.786 HG2 :: 1.376 HG3 :: 1.376 HD2 :: 1.691 HD3 :: 1.691 HE2 :: 2.950 HE3 :: 2.950 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 :: 117.884 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 173.505 CA :: 62.883 CB :: 69.444 CG2 :: 21.349 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 :: 7.712 HA :: 3.749 HB :: 3.853 HG21 :: 0.493 HG22 :: 0.493 HG23 :: 0.493 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 :: 106.630 Ave N Shift Values>> N :: 115.42(4.75) 1.F34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.2 F 0.16 Y 0.13 K 0.11 C 0.07 N 0.05 I 0.01 C Shift Assignments>> C :: 172.593 CA :: 55.785 CB :: 40.899 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 :: 7.035 HA :: 5.218 HB2 :: 2.697 HB3 :: 2.697 HD1 :: 6.678 HD2 :: 6.678 HE1 :: 7.077 HE2 :: 7.077 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 :: 118.330 Ave N Shift Values>> N :: 120.45(4.18) 1.T35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.23 A 0.01 C Shift Assignments>> C :: 172.051 CA :: 59.505 CB :: 70.413 CG2 :: 19.960 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 :: 8.923 HA :: 4.418 HB :: 3.899 HG21 :: 0.942 HG22 :: 0.942 HG23 :: 0.942 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 :: 113.322 Ave N Shift Values>> N :: 115.42(4.75) 1.F36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 L 0.18 K 0.16 Y 0.16 D 0.15 C 0.08 I 0.02 N 0.02 R 0.01 C Shift Assignments>> C :: 175.860 CA :: 56.792 CB :: 41.098 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 :: 8.360 HA :: 5.423 HB2 :: 2.908 HB3 :: 2.965 HD1 :: 7.133 HD2 :: 7.133 HE1 :: 6.788 HE2 :: 6.788 HZ :: 7.292 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 :: 122.612 Ave N Shift Values>> N :: 120.45(4.18) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 HN Overlap>> 1.V42 1.V42 C Shift Assignments>> C :: 175.516 CA :: 61.603 CB :: 34.335 CG1 :: 20.910 CG2 :: 20.910 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 :: 8.953 HA :: 4.190 HB :: 1.882 HG11 :: 0.876 HG12 :: 0.876 HG13 :: 0.876 HG21 :: 0.876 HG22 :: 0.876 HG23 :: 0.876 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 :: 125.161 Ave N Shift Values>> N :: 121.14(4.54) 1.R38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.39 L 0.09 G 0.06 K 0.02 C Shift Assignments>> C :: 176.349 CA :: 57.066 CB :: 28.152 CG :: 28.019 CD :: 43.235 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 :: 9.453 HA :: 3.846 HB2 :: 1.886 HB3 :: 1.829 HG2 :: 1.639 HG3 :: 1.591 HD2 :: 3.254 HD3 :: 3.177 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 :: 127.157 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.G39 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 :: 173.650 CA :: 45.485 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.213 HA2 :: 3.561 HA3 :: 4.104 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.610 Ave N Shift Values>> N :: 109.67(3.87) 1.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.34 K 0.09 G 0.07 HN Overlap>> 1.Q29 1.Q29 C Shift Assignments>> C :: 174.908 CA :: 54.334 CB :: 32.474 CG :: 26.874 CD :: 43.199 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 :: 7.766 HA :: 4.710 HB2 :: 1.841 HB3 :: 1.763 HG2 :: 1.592 HG3 :: 1.592 HD2 :: 3.177 HD3 :: 3.177 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 :: 120.625 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.T41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.686 CA :: 62.309 CB :: 69.137 CG2 :: 22.275 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 :: 8.530 HA :: 4.699 HB :: 3.890 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 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 :: 117.220 Ave N Shift Values>> N :: 115.42(4.75) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 V 0.49 HN Overlap>> 1.V37 1.V37 C Shift Assignments>> C :: 175.422 CA :: 60.525 CB :: 34.761 CG1 :: 20.764 CG2 :: 21.039 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 :: 8.977 HA :: 4.408 HB :: 1.964 HG11 :: 0.777 HG12 :: 0.777 HG13 :: 0.777 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 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 :: 125.096 Ave N Shift Values>> N :: 121.14(4.54) 1.S43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.608 CA :: 59.487 CB :: 63.474 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.672 HA :: 4.458 HB2 :: 3.709 HB3 :: 3.813 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 :: 120.951 Ave N Shift Values>> N :: 116.28(3.52) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 176.068 CA :: 61.645 CB :: 33.119 CG1 :: 20.752 CG2 :: 20.888 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 :: 7.769 HA :: 3.918 HB :: 1.621 HG11 :: 0.728 HG12 :: 0.728 HG13 :: 0.728 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 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 :: 125.127 Ave N Shift Values>> N :: 121.14(4.54) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.932 CA :: 59.472 CB :: 63.153 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.589 HA :: 4.200 HB2 :: 3.759 HB3 :: 3.759 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 :: 122.026 Ave N Shift Values>> N :: 116.28(3.52) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.24 L 0.16 F 0.07 C 0.05 Y 0.05 K 0.03 C Shift Assignments>> CA :: 53.256 CB :: 40.605 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 :: 8.714 HA :: 4.583 HB2 :: 2.628 HB3 :: 2.489 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 :: 121.112 Ave N Shift Values>> N :: 120.65(3.86) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 176.828 CA :: 62.984 CB :: 31.780 CG :: 27.051 CD :: 49.827 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 :: 4.191 HB2 :: 1.447 HB3 :: 1.773 HG2 :: 1.898 HG3 :: 1.898 HD2 :: 3.624 HD3 :: 3.624 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.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 C 0.31 R 0.31 G 0.01 C Shift Assignments>> C :: 175.097 CA :: 54.924 CB :: 30.601 CG :: 24.016 CD :: 28.708 CE :: 42.405 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 :: 8.654 HA :: 4.439 HB2 :: 1.807 HB3 :: 1.807 HG2 :: 1.440 HG3 :: 1.440 HD2 :: 1.613 HD3 :: 1.613 HE2 :: 2.972 HE3 :: 2.972 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 :: 124.522 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 I 0.05 V 0.04 A 0.01 C Shift Assignments>> C :: 173.514 CA :: 59.098 CB :: 36.157 CG1 :: 24.251 CG2 :: 19.777 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 :: 8.283 HA :: 4.834 HB :: 1.961 HG11 :: 0.624 HG12 :: 0.624 HG13 :: 0.624 HG21 :: 0.464 HG22 :: 0.464 HG23 :: 0.464 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 :: 116.319 Ave N Shift Values>> N :: 121.14(4.54) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.41 A 0.01 C Shift Assignments>> C :: 175.201 CA :: 58.729 CB :: 41.638 CG1 :: 28.388 CG2 :: 17.974 CD1 :: 14.141 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 :: 7.958 HA :: 5.606 HB :: 1.482 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 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 :: 119.437 Ave N Shift Values>> N :: 121.46(4.28) 1.C51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 W 0.17 E 0.14 R 0.12 H 0.11 Q 0.08 K 0.05 M 0.04 V 0.03 I 0.03 C Shift Assignments>> C :: 175.523 CA :: 58.955 CB :: 30.331 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.871 HA :: 4.329 HB2 :: 2.337 HB3 :: 2.849 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 131.463 Ave N Shift Values>> N :: 120.17(4.64) 1.R52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.33 G 0.09 K 0.07 HN Overlap>> 1.D85 1.D85 C Shift Assignments>> C :: 179.506 CA :: 59.459 CB :: 30.654 CG :: 28.483 CD :: 43.536 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 :: 8.379 HA :: 4.062 HB2 :: 1.685 HB3 :: 1.683 HG2 :: 1.597 HG3 :: 1.597 HD2 :: 3.038 HD3 :: 3.038 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 :: 116.929 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.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 176.334 CA :: 65.078 CB :: 68.241 CG2 :: 22.395 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 :: 8.225 HA :: 4.086 HB :: 4.270 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) N Shift Assignments>> N :: 113.442 Ave N Shift Values>> N :: 115.42(4.75) 1.C54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.34 V 0.28 C 0.18 I 0.09 W 0.05 R 0.01 HN Overlap>> 1.A9 1.A9 C Shift Assignments>> C :: 175.855 CA :: 63.216 CB :: 30.673 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.944 HA :: 3.959 HB2 :: 2.720 HB3 :: 3.022 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.553 Ave N Shift Values>> N :: 120.17(4.64) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.25 K 0.24 E 0.13 R 0.04 M 0.01 I 0.01 C Shift Assignments>> C :: 173.498 CA :: 55.986 CB :: 28.492 CG :: 34.539 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 :: 7.636 HA :: 4.259 HB2 :: 2.013 HB3 :: 2.013 HG2 :: 2.295 HG3 :: 2.495 HE21 :: 7.615 HE22 :: 6.951 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 :: 120.253 NE2 :: 113.019 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 177.017 CA :: 63.720 CB :: 32.068 CG :: 27.569 CD :: 50.540 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 :: 4.437 HB2 :: 2.303 HB3 :: 1.861 HG2 :: 1.977 HG3 :: 1.977 HD2 :: 3.661 HD3 :: 3.484 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.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.45 HN Overlap>> 1.L84 1.L84 1.Q58 1.Q58 C Shift Assignments>> C :: 176.805 CA :: 56.349 CB :: 32.765 CG :: 24.711 CD :: 28.907 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 :: 8.301 HA :: 4.289 HB2 :: 1.746 HB3 :: 1.815 HG2 :: 1.410 HG3 :: 1.410 HD2 :: 1.670 HD3 :: 1.670 HE2 :: 2.991 HE3 :: 2.991 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 :: 120.810 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.15 W 0.15 E 0.14 H 0.13 C 0.11 K 0.1 R 0.09 I 0.04 M 0.02 V 0.01 HN Overlap>> 1.K57 1.K57 C Shift Assignments>> C :: 175.818 CB :: 29.577 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 :: 8.292 HA :: 4.316 HB2 :: 1.974 HB3 :: 2.067 HG2 :: 2.311 HG3 :: 2.311 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 :: 120.897 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.15 Q 0.14 E 0.13 R 0.13 W 0.13 C 0.11 K 0.11 M 0.05 C Shift Assignments>> C :: 174.814 CA :: 56.225 CB :: 29.756 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 :: 8.580 HA :: 4.639 HB2 :: 3.205 HB3 :: 3.205 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 :: 120.141 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.2 N 0.12 F 0.1 Y 0.08 K 0.08 C 0.06 C Shift Assignments>> C :: 175.598 CA :: 54.450 CB :: 40.900 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 :: 8.466 HA :: 4.645 HB2 :: 2.711 HB3 :: 2.711 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 :: 119.874 Ave N Shift Values>> N :: 120.65(3.86) 1.S61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 172.226 CA :: 57.614 CB :: 66.129 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.882 HA :: 5.028 HB2 :: 3.546 HB3 :: 3.672 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 :: 115.190 Ave N Shift Values>> N :: 116.28(3.52) 1.I62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 173.529 CA :: 60.612 CB :: 41.798 CG1 :: 27.448 CG2 :: 17.542 CD1 :: 13.862 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 :: 9.070 HA :: 4.133 HB :: 0.750(S) HG12 :: 1.017 HG13 :: 0.654 HG21 :: 0.272 HG22 :: 0.272 HG23 :: 0.272 HD11 :: 0.243 HD12 :: 0.243 HD13 :: 0.243 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 :: 121.395 Ave N Shift Values>> N :: 121.46(4.28) 1.W63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.14 Q 0.14 W 0.13 E 0.13 H 0.12 C 0.12 R 0.1 M 0.03 I 0.02 C Shift Assignments>> C :: 174.858 CA :: 57.295 CB :: 29.226 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 :: 8.353 HA :: 4.761 HB2 :: 2.979 HB3 :: 3.276 HD1 :: 7.103 HE1 :: 9.790 HE3 :: 7.516 HZ2 :: 7.293 HH2 :: 7.006 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 :: 127.866 NE1 :: 128.882 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.C64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 W 0.17 E 0.13 R 0.11 H 0.1 Q 0.07 K 0.05 V 0.05 I 0.05 M 0.03 C Shift Assignments>> C :: 176.125 CA :: 59.507 CB :: 30.286 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.532 HA :: 4.504 HB2 :: 2.656 HB3 :: 3.392 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 129.705 Ave N Shift Values>> N :: 120.17(4.64) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.319 CA :: 63.952 CB :: 69.858 CG2 :: 22.559 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 :: 8.468 HA :: 3.717 HB :: 4.317 HG21 :: 1.604 HG22 :: 1.604 HG23 :: 1.604 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 :: 119.648 Ave N Shift Values>> N :: 115.42(4.75) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 L 0.2 C 0.09 M 0.03 V 0.01 C Shift Assignments>> C :: 177.392 CA :: 54.072 CB :: 21.007 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.901 HA :: 4.552 HB1 :: 1.483 HB2 :: 1.483 HB3 :: 1.483 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.385 Ave N Shift Values>> N :: 123.23(3.54) 1.C67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.16 E 0.14 R 0.12 H 0.11 Q 0.09 K 0.07 M 0.04 I 0.03 V 0.02 HN Overlap>> 1.E75 1.E75 C Shift Assignments>> C :: 175.548 CA :: 58.619 CB :: 30.170 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.289 HA :: 4.608 HB2 :: 2.538 HB3 :: 3.008 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 118.359 Ave N Shift Values>> N :: 120.17(4.64) 1.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.43 Q 0.04 R 0.02 V 0.01 HN Overlap>> 1.K32 1.K32 C Shift Assignments>> C :: 174.245 CA :: 56.270 CB :: 24.592 CG :: 34.040 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 :: 7.409 HA :: 2.951 HB2 :: 2.216 HB3 :: 2.216 HG2 :: 1.999 HG3 :: 1.999 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 :: 117.954 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 C 0.28 Q 0.15 E 0.02 C Shift Assignments>> C :: 174.748 CA :: 53.928 CB :: 32.250 CG :: 33.703 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 :: 6.621 HA :: 4.516 HB2 :: 1.914 HB3 :: 1.914 HG2 :: 2.217 HG3 :: 2.301 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 :: 114.119 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T70 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 :: 174.414 CA :: 63.340 CB :: 68.617 CG2 :: 22.831 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 :: 8.827 HA :: 4.698 HB :: 4.083 HG21 :: 1.186 HG22 :: 1.186 HG23 :: 1.186 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 :: 119.930 Ave N Shift Values>> N :: 115.42(4.75) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 C 0.4 G 0.02 K 0.01 C Shift Assignments>> C :: 174.940 CA :: 54.614 CB :: 37.981 CG :: 26.190 CD :: 30.198 CE :: 42.503 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 :: 9.043 HA :: 4.856 HB2 :: 1.867 HB3 :: 1.867 HG2 :: 1.258 HG3 :: 1.258 HD2 :: 1.472 HD3 :: 1.472 HE2 :: 2.925 HE3 :: 2.925 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 :: 127.319 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G72 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 :: 175.463 CA :: 45.506 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.707 HA2 :: 4.339 HA3 :: 3.960 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.051 Ave N Shift Values>> N :: 109.67(3.87) 1.I73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.88 C 0.11 C Shift Assignments>> C :: 176.319 CA :: 64.898 CB :: 38.611 CG1 :: 28.161 CG2 :: 17.265 CD1 :: 14.170 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 :: 7.940 HA :: 3.858 HB :: 1.638 HG12 :: 1.406 HG13 :: 1.137 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 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 :: 119.662 Ave N Shift Values>> N :: 121.46(4.28) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.19 Y 0.13 E 0.11 F 0.1 D 0.05 M 0.05 L 0.01 I 0.01 C Shift Assignments>> C :: 176.255 CA :: 54.772 CB :: 37.523 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 :: 8.615 HA :: 4.694 HB2 :: 2.855 HB3 :: 2.855 HD21 :: 7.683 HD22 :: 7.019 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 :: 115.436 ND2 :: 113.125 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.34 I 0.14 K 0.04 L 0.01 HN Overlap>> 1.N7 1.C67 1.N7 1.C67 C Shift Assignments>> C :: 173.702 CA :: 56.529 CB :: 28.544 CG :: 37.408 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 :: 8.326 HA :: 4.270 HB2 :: 2.148 HB3 :: 2.148 HG2 :: 2.262 HG3 :: 2.146 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 :: 118.369 Ave N Shift Values>> N :: 120.67(3.48) 1.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.22 D 0.16 F 0.11 R 0.09 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> C :: 175.671 CA :: 55.853 CB :: 41.970 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 :: 7.948 HA :: 4.824 HB2 :: 2.762 HB3 :: 2.951 HD1 :: 7.122 HD2 :: 7.122 HE1 :: 6.997 HE2 :: 6.997 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 :: 119.203 Ave N Shift Values>> N :: 120.45(4.18) 1.S77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.332 CA :: 57.556 CB :: 64.035 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.732 HA :: 4.417 HB2 :: 4.265 HB3 :: 4.037 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 :: 120.429 Ave N Shift Values>> N :: 116.28(3.52) 1.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 K 0.38 C Shift Assignments>> C :: 178.875 CA :: 60.786 CB :: 31.983 CG :: 25.511 CD :: 28.895 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 :: 8.962 HA :: 3.705 HB2 :: 1.896 HB3 :: 1.896 HG2 :: 1.463 HG3 :: 1.604 HD2 :: 1.752 HD3 :: 1.752 HE2 :: 3.022 HE3 :: 3.022 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 :: 122.447 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.35 C 0.03 I 0.01 C Shift Assignments>> C :: 180.550 CA :: 54.590 CB :: 18.727 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.376 HA :: 4.200 HB1 :: 1.459 HB2 :: 1.459 HB3 :: 1.459 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.640 Ave N Shift Values>> N :: 123.23(3.54) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.26 C 0.25 E 0.09 M 0.06 R 0.02 C Shift Assignments>> C :: 176.421 CA :: 56.524 CB :: 29.465 CG :: 33.979 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 :: 7.688 HA :: 4.179 HB2 :: 2.264 HB3 :: 2.629 HG2 :: 2.275 HG3 :: 2.948 HE21 :: 7.195 HE22 :: 6.835 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 :: 115.772 NE2 :: 110.950 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.33 G 0.2 C Shift Assignments>> C :: 176.682 CA :: 58.561 CB :: 30.053 CG :: 27.485 CD :: 44.252 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 :: 7.444 HA :: 3.663 HB2 :: 1.544 HB3 :: 1.544 HG2 :: 1.300 HG3 :: 1.921 HD2 :: 3.009 HD3 :: 3.131 HE :: 6.335 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 :: 114.451 NE :: 84.169 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.H82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 Q 0.14 R 0.14 W 0.12 C 0.11 E 0.11 K 0.09 M 0.07 C Shift Assignments>> C :: 174.954 CA :: 54.917 CB :: 29.938 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 :: 7.677 HA :: 4.858 HB2 :: 2.943 HB3 :: 3.444 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 :: 113.143 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 V 0.22 C Shift Assignments>> C :: 175.763 CA :: 60.236 CB :: 33.173 CG1 :: 21.448 CG2 :: 17.830 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 :: 6.815 HA :: 4.585 HB :: 2.406 HG11 :: 0.982 HG12 :: 0.982 HG13 :: 0.982 HG21 :: 0.843 HG22 :: 0.843 HG23 :: 0.843 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 :: 112.488 Ave N Shift Values>> N :: 121.14(4.54) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.37 R 0.01 HN Overlap>> 1.K57 1.K57 C Shift Assignments>> C :: 177.034 CA :: 57.140 CB :: 42.074 CG :: 26.876 CD1 :: 24.479 CD2 :: 23.959 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 :: 8.345 HA :: 4.127 HB2 :: 1.585 HB3 :: 1.660 HD11 :: 0.906 HD12 :: 0.906 HD13 :: 0.906 HD21 :: 0.883 HD22 :: 0.883 HD23 :: 0.883 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 :: 120.741 Ave N Shift Values>> N :: 121.86(3.9) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.35 L 0.12 C 0.06 F 0.04 Y 0.03 K 0.01 HN Overlap>> 1.R52 1.R52 C Shift Assignments>> C :: 171.591 CA :: 51.534 CB :: 40.592 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 :: 8.452 HA :: 5.133 HB2 :: 2.636 HB3 :: 2.592 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 :: 116.896 Ave N Shift Values>> N :: 120.65(3.86) 1.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 177.495 CA :: 63.956 CB :: 33.792 CG :: 27.551 CD :: 50.919 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 :: 4.398 HB2 :: 1.741 HB3 :: 2.432 HG2 :: 2.128 HG3 :: 1.899 HD2 :: 3.615 HD3 :: 3.712 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.R87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.47 G 0.36 R 0.13 K 0.03 C Shift Assignments>> C :: 175.006 CA :: 53.905 CB :: 34.794 CG :: 27.690 CD :: 43.956 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 :: 8.537 HA :: 5.977(S) HB2 :: 1.399 HB3 :: 1.533 HG2 :: 1.778 HG3 :: 1.778 HD2 :: 3.039 HD3 :: 3.219 HE :: 7.344 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 :: 121.207 NE :: 85.174 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.C88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.14 R 0.12 H 0.12 Q 0.11 K 0.08 M 0.04 I 0.02 V 0.01 C Shift Assignments>> C :: 174.313 CA :: 58.219 CB :: 29.975 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.789 HA :: 3.568 HB2 :: 1.883 HB3 :: 2.538 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 127.129 Ave N Shift Values>> N :: 120.17(4.64) 1.Q89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.25 Q 0.23 R 0.06 E 0.04 I 0.02 M 0.01 C Shift Assignments>> C :: 178.765 CA :: 59.180 CB :: 28.528 CG :: 33.665 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 :: 8.224 HA :: 4.040 HB2 :: 1.892 HB3 :: 1.993 HG2 :: 2.290 HG3 :: 2.290 HE21 :: 7.196 HE22 :: 6.839 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 :: 116.893 NE2 :: 110.935 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 179.356 CA :: 63.813 CB :: 36.985 CG1 :: 27.821 CG2 :: 17.546 CD1 :: 11.206 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 :: 7.926 HA :: 3.831 HB :: 1.973 HG12 :: 1.348 HG13 :: 1.480 HG21 :: 0.848 HG22 :: 0.848 HG23 :: 0.848 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 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 :: 120.290 Ave N Shift Values>> N :: 121.46(4.28) 1.C91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 P 0.27 C 0.12 V 0.05 C Shift Assignments>> C :: 178.627 CA :: 65.985 CB :: 28.326 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.372 HA :: 3.752 HB2 :: 2.597 HB3 :: 2.929 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.389 Ave N Shift Values>> N :: 120.17(4.64) 1.V92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 HN Overlap>> 1.N5 1.N5 C Shift Assignments>> C :: 178.811 CA :: 66.156 CB :: 31.687 CG1 :: 23.087 CG2 :: 21.033 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 :: 8.657 HA :: 3.544 HB :: 1.925 HG11 :: 0.838 HG12 :: 0.838 HG13 :: 0.838 HG21 :: 0.769 HG22 :: 0.769 HG23 :: 0.769 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 :: 119.825 Ave N Shift Values>> N :: 121.14(4.54) 1.H93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 W 0.14 Q 0.13 C 0.13 E 0.13 H 0.11 R 0.09 I 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 175.991 CA :: 57.815 CB :: 28.989 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 :: 8.019 HA :: 4.458 HB2 :: 3.216 HB3 :: 3.307 HD2 :: 7.208 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 :: 117.378 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.028 CA :: 59.110 CB :: 63.760 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.905 HA :: 4.374 HB2 :: 3.924 HB3 :: 3.924 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 :: 113.902 Ave N Shift Values>> N :: 116.28(3.52) 1.Q95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.25 K 0.25 R 0.1 E 0.04 M 0.02 C Shift Assignments>> C :: 175.336 CA :: 56.213 CB :: 28.103 CG :: 33.782 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 :: 7.888 HA :: 4.178 HB2 :: 2.069 HB3 :: 2.123 HG2 :: 2.334 HG3 :: 2.334 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 :: 120.182 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.39 G 0.06 K 0.04 C Shift Assignments>> C :: 175.090 CA :: 56.208 CB :: 30.818 CG :: 26.954 CD :: 43.378 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 :: 8.229 HA :: 4.323 HB2 :: 1.671 HB3 :: 1.835 HD2 :: 3.184 HD3 :: 3.184 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 :: 121.656 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.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.18 N 0.13 F 0.12 Y 0.1 C 0.07 K 0.05 C Shift Assignments>> C :: 179.423 CA :: 54.702 CB :: 40.610 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 :: 8.090 HA :: 4.455 HB2 :: 2.712 HB3 :: 2.611 HD21 :: 7.498 HD22 :: 7.498 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 :: 126.029 ND2 :: 112.446 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 93 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 96 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 97 #Suspicious: 0 C Shift Results: #Consistent: 385 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 646 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 104 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.M12 N = 133.029(S), Expected = 120.09, Std = 3.5700, ChiSquare = 2.8967e-04 1.Q29 HG2 = 3.237(S), Expected = 2.32, Std = 0.2700, ChiSquare = 6.8304e-04 1.I62 HB = 0.750(S), Expected = 1.78, Std = 0.2900, ChiSquare = 3.8272e-04 1.R87 HA = 5.977(S), Expected = 4.30, Std = 0.4600, ChiSquare = 2.6671e-04