Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.48 C 0.33 A 0.17 C Shift Assignments>> CA :: 55.322 CB :: 33.070 CG :: 31.338 CE :: 17.294 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 :: 3.946 HB2 :: 2.143 HB3 :: 2.163 HG2 :: 2.611 HG3 :: 2.592 HE1 :: 2.134 HE2 :: 2.134 HE3 :: 2.134 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.V2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 174.020 CA :: 62.356 CB :: 34.536 CG1 :: 21.312 CG2 :: 21.882 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>> HA :: 3.464 HB :: 1.805 HG11 :: 0.625 HG12 :: 0.625 HG13 :: 0.625 HG21 :: 0.824 HG22 :: 0.824 HG23 :: 0.824 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) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.45 C Shift Assignments>> C :: 176.462 CA :: 55.608 CB :: 34.256 CG :: 25.142 CD :: 29.953 CE :: 41.485 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 :: 8.330 HA :: 4.571 HB2 :: 1.796 HB3 :: 1.845 HG2 :: 1.298 HG3 :: 1.393 HD2 :: 1.634 HD3 :: 1.612 HE2 :: 2.999 HE3 :: 2.941 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 :: 128.463 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.27 C 0.24 E 0.1 M 0.04 C Shift Assignments>> C :: 175.762 CA :: 55.807 CB :: 29.109 CG :: 34.140 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 :: 8.781 HA :: 4.602 HB2 :: 2.097 HB3 :: 2.101 HG2 :: 2.304 HG3 :: 2.381 HE21 :: 7.571 HE22 :: 6.907 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 :: 127.426 NE2 :: 113.298 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 I 0.05 A 0.05 C Shift Assignments>> C :: 176.276 CA :: 58.016 CB :: 36.405 CG1 :: 26.831 CG2 :: 18.460 CD1 :: 8.885 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 :: 8.655 HA :: 4.246 HB :: 2.048 HG12 :: 1.052 HG13 :: 1.661 HG21 :: 0.745 HG22 :: 0.745 HG23 :: 0.745 HD11 :: 0.666 HD12 :: 0.666 HD13 :: 0.666 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 :: 128.625 Ave N Shift Values>> N :: 121.46(4.28) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.34 M 0.19 Q 0.01 C Shift Assignments>> C :: 175.969 CA :: 56.789 CB :: 31.716 CG :: 36.739 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 :: 8.961 HA :: 4.904 HB2 :: 2.304 HB3 :: 2.020 HG2 :: 2.291 HG3 :: 2.237 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 :: 123.847 Ave N Shift Values>> N :: 120.67(3.48) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.53 S 0.46 C Shift Assignments>> C :: 173.671 CA :: 57.740 CB :: 67.240 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.300 HA :: 4.523 HB2 :: 4.221 HB3 :: 4.049 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 :: 112.592 Ave N Shift Values>> N :: 116.28(3.52) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.42 G 0.01 HN Overlap>> 1.L55 1.L55 C Shift Assignments>> C :: 178.468 CA :: 60.253 CB :: 32.691 CG :: 25.290 CD :: 29.910 CE :: 42.302 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 :: 9.468 HA :: 3.972 HB2 :: 1.937 HB3 :: 1.977 HG2 :: 1.490 HG3 :: 1.458 HD2 :: 1.663 HD3 :: 1.737 HE2 :: 3.010 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 :: 122.873 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.200 CA :: 66.712 CB :: 68.962 CG2 :: 21.916 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 :: 8.188 HA :: 4.004 HB :: 4.057 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 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 :: 115.482 Ave N Shift Values>> N :: 115.42(4.75) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.3 C 0.05 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 180.387 CA :: 55.078 CB :: 19.326 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.985 HA :: 4.195 HB1 :: 1.562 HB2 :: 1.562 HB3 :: 1.562 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.506 Ave N Shift Values>> N :: 123.23(3.54) 1.F11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.33 F 0.08 C Shift Assignments>> C :: 175.560 CA :: 61.266 CB :: 39.249 CD1 :: 133.660 CD2 :: 133.660 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 :: 8.114 HA :: 4.015 HB2 :: 3.436 HB3 :: 3.002 HD1 :: 7.312 HD2 :: 7.312 HE1 :: 6.877 HE2 :: 6.877 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 :: 121.667 Ave N Shift Values>> N :: 120.45(4.18) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 Q 0.25 K 0.24 E 0.1 I 0.04 M 0.01 C Shift Assignments>> C :: 178.673 CA :: 58.921 CB :: 28.520 CG :: 34.231 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 :: 8.107 HA :: 3.577 HB2 :: 2.219 HB3 :: 2.129 HG2 :: 2.385 HG3 :: 2.502 HE21 :: 7.722 HE22 :: 6.858 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 :: 117.855 NE2 :: 114.564 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.31 I 0.2 K 0.02 M 0.01 C Shift Assignments>> C :: 179.147 CA :: 59.756 CB :: 30.011 CG :: 36.978 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 :: 8.375 HA :: 3.972 HB2 :: 2.059 HB3 :: 1.971 HG2 :: 2.470 HG3 :: 2.194 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 :: 118.376 Ave N Shift Values>> N :: 120.67(3.48) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.34 C 0.04 I 0.02 L 0.01 V 0.01 C Shift Assignments>> C :: 180.511 CA :: 55.039 CB :: 19.089 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.872 HA :: 4.057 HB1 :: 1.341 HB2 :: 1.341 HB3 :: 1.341 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.362 Ave N Shift Values>> N :: 123.23(3.54) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.47 C Shift Assignments>> C :: 180.516 CA :: 58.202 CB :: 41.598 CG :: 26.641 CD1 :: 22.539 CD2 :: 24.927 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 :: 7.570 HA :: 3.705 HB2 :: 1.004 HB3 :: 1.572 HG :: 0.930 HD11 :: -0.124 HD12 :: -0.124 HD13 :: -0.124 HD21 :: -0.214 HD22 :: -0.214 HD23 :: -0.214 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 :: 117.734 Ave N Shift Values>> N :: 121.86(3.9) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.18 Y 0.17 L 0.16 D 0.11 C 0.09 I 0.03 N 0.01 C Shift Assignments>> C :: 178.444 CA :: 57.299 CB :: 41.211 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 :: 8.095 HA :: 4.331 HB2 :: 2.649 HB3 :: 2.684 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 :: 120.288 Ave N Shift Values>> N :: 120.65(3.86) 1.A17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.16 C 0.02 C Shift Assignments>> C :: 178.372 CA :: 53.569 CB :: 19.213 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.172 HA :: 4.198 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 :: 121.898 Ave N Shift Values>> N :: 123.23(3.54) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 L 0.28 C 0.1 M 0.02 V 0.01 C Shift Assignments>> C :: 178.708 CA :: 54.001 CB :: 21.328 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.144 HA :: 3.921 HB1 :: 1.388 HB2 :: 1.388 HB3 :: 1.388 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.512 Ave N Shift Values>> N :: 123.23(3.54) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.09 P 0.04 L 0.04 A 0.03 N 0.01 C Shift Assignments>> C :: 173.231 CA :: 47.567 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.681 HA2 :: 3.768 HA3 :: 3.928 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.684 Ave N Shift Values>> N :: 109.67(3.87) 1.D20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.26 K 0.16 F 0.09 Y 0.06 N 0.06 C 0.05 C Shift Assignments>> C :: 175.966 CA :: 54.535 CB :: 41.614 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 :: 9.066 HA :: 4.655 HB2 :: 2.764 HB3 :: 2.745 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 :: 129.308 Ave N Shift Values>> N :: 120.65(3.86) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 K 0.32 G 0.04 C Shift Assignments>> C :: 176.391 CA :: 57.626 CB :: 33.944 CG :: 26.560 CD :: 29.657 CE :: 42.836 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 :: 7.801 HA :: 4.299 HB2 :: 1.886 HB3 :: 1.928 HG2 :: 1.662 HG3 :: 1.558 HD2 :: 1.680 HD3 :: 1.682 HE2 :: 3.054 HE3 :: 3.054 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 :: 120.012 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.41 G 0.1 K 0.01 C Shift Assignments>> C :: 174.632 CA :: 56.020 CB :: 43.329 CG :: 27.111 CD1 :: 27.827 CD2 :: 24.252 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 :: 8.883 HA :: 4.404 HB2 :: 1.974 HB3 :: 1.444 HG :: 1.557 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 HD21 :: 1.041 HD22 :: 1.041 HD23 :: 1.041 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 :: 123.555 Ave N Shift Values>> N :: 121.86(3.9) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 C Shift Assignments>> C :: 175.321 CA :: 60.647 CB :: 34.696 CG1 :: 21.740 CG2 :: 22.084 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 :: 9.025 HA :: 4.866 HB :: 1.985 HG11 :: 0.624 HG12 :: 0.624 HG13 :: 0.624 HG21 :: 0.845 HG22 :: 0.845 HG23 :: 0.845 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 :: 126.528 Ave N Shift Values>> N :: 121.14(4.54) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 173.719 CA :: 60.617 CB :: 33.718 CG1 :: 21.411 CG2 :: 21.943 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 :: 9.181 HA :: 4.429 HB :: 1.571 HG11 :: 0.440 HG12 :: 0.440 HG13 :: 0.440 HG21 :: 0.565 HG22 :: 0.565 HG23 :: 0.565 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 :: 127.262 Ave N Shift Values>> N :: 121.14(4.54) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 V 0.45 C Shift Assignments>> C :: 174.354 CA :: 60.887 CB :: 34.704 CG1 :: 22.791 CG2 :: 22.356 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 :: 9.237 HA :: 4.659 HB :: 1.979 HG11 :: 0.893 HG12 :: 0.893 HG13 :: 0.893 HG21 :: 0.049 HG22 :: 0.049 HG23 :: 0.049 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 :: 127.371 Ave N Shift Values>> N :: 121.14(4.54) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.64 D 0.16 C 0.08 F 0.03 L 0.03 Y 0.03 C Shift Assignments>> C :: 174.627 CA :: 51.391 CB :: 38.943 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 :: 8.463 HA :: 4.245 HB2 :: 2.210 HB3 :: 2.212 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 :: 124.256 Ave N Shift Values>> N :: 120.65(3.86) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 F 0.2 C Shift Assignments>> C :: 173.353 CA :: 57.940 CB :: 39.412 CG :: 132.617 CD1 :: 131.820 CD2 :: 131.820 CE1 :: 132.318 CE2 :: 132.318 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 :: 8.809 HA :: 5.065 HB2 :: 2.943 HB3 :: 2.386 HD1 :: 6.856 HD2 :: 6.856 HE1 :: 7.619 HE2 :: 7.619 HZ :: 8.155 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 :: 126.454 Ave N Shift Values>> N :: 120.45(4.18) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.58 T 0.41 C Shift Assignments>> C :: 171.648 CA :: 56.454 CB :: 67.233 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.500 HA :: 4.470 HB2 :: 3.457 HB3 :: 3.541 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 :: 118.166 Ave N Shift Values>> N :: 116.28(3.52) 1.A29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.51 L 0.34 C 0.12 K 0.01 C Shift Assignments>> C :: 179.368 CA :: 51.107 CB :: 22.441 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.677 HA :: 4.746 HB1 :: 0.046(S) HB2 :: 0.046(S) HB3 :: 0.046(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 116.845 Ave N Shift Values>> N :: 123.23(3.54) 1.T30 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 :: 174.885 CA :: 65.165 CB :: 70.347 CG2 :: 21.888 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 :: 9.691 HA :: 3.822 HB :: 4.256 HG21 :: 1.374 HG22 :: 1.374 HG23 :: 1.374 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 :: 116.825 Ave N Shift Values>> N :: 115.42(4.75) 1.W31 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.51 W 0.48 C Shift Assignments>> C :: 176.341 CA :: 53.603 CB :: 29.696 CD1 :: 125.664 CE3 :: 119.138 CZ2 :: 115.780 CH2 :: 122.196 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 :: 6.507 HA :: 4.617 HB2 :: 3.150 HB3 :: 3.708 HD1 :: 7.234 HE1 :: 11.477 HE3 :: 7.191 HZ2 :: 7.397 HH2 :: 7.129 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 :: 114.925 NE1 :: 136.510(S) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.505 CA :: 56.212 CB :: 62.563 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.414 HA :: 3.978 HB2 :: 3.944 HB3 :: 4.007 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 :: 115.847 Ave N Shift Values>> N :: 116.28(3.52) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.69 A 0.14 N 0.06 G 0.02 C 0.02 D 0.01 C Shift Assignments>> CA :: 48.964 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.526 HA2 :: 4.218 HA3 :: 3.939 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 120.436 Ave N Shift Values>> N :: 109.67(3.87) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.53 P 0.46 C Shift Assignments>> C :: 178.336 CA :: 65.933 CB :: 32.833 CG :: 28.443 CD :: 51.781 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 :: 4.345 HB2 :: 2.516 HB3 :: 1.832 HG2 :: 2.272 HG3 :: 2.048 HD2 :: 3.777 HD3 :: 3.979 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.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 176.539 CA :: 62.708 CB :: 63.912 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.396 HA :: 4.091 HB2 :: 3.932 HB3 :: 3.953 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 :: 111.706 Ave N Shift Values>> N :: 116.28(3.52) 1.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 K 0.42 G 0.01 C Shift Assignments>> C :: 179.593 CA :: 60.121 CB :: 32.601 CG :: 25.730 CD :: 29.741 CE :: 42.252 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 :: 8.090 HA :: 3.922 HB2 :: 1.906 HB3 :: 2.016 HG2 :: 1.473 HG3 :: 1.619 HD2 :: 1.737 HD3 :: 1.783 HE2 :: 3.015 HE3 :: 2.894 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 :: 122.816 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.44 A 0.01 C Shift Assignments>> C :: 178.072 CA :: 58.522 CB :: 32.686 CG :: 32.499 CE :: 17.679 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 :: 8.250 HA :: 4.224 HB2 :: 2.253 HB3 :: 2.282 HG2 :: 2.775 HG3 :: 2.661 HE1 :: 2.184 HE2 :: 2.184 HE3 :: 2.184 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 :: 117.955 Ave N Shift Values>> N :: 120.09(3.57) 1.I38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 I 0.11 C Shift Assignments>> C :: 175.392 CA :: 61.573 CB :: 41.354 CG1 :: 32.179 CG2 :: 18.031 CD1 :: 14.908 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 :: 7.556 HA :: 4.664 HB :: 1.927 HG12 :: 1.846 HG13 :: 1.925 HG21 :: 1.306 HG22 :: 1.306 HG23 :: 1.306 HD11 :: 0.955 HD12 :: 0.955 HD13 :: 0.955 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 :: 116.110 Ave N Shift Values>> N :: 121.46(4.28) 1.K39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.23 C 0.23 P 0.21 I 0.13 W 0.09 E 0.02 H 0.02 K 0.01 Q 0.01 C Shift Assignments>> CA :: 62.370 CB :: 30.465 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 :: 7.530 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 :: 126.211 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 179.875 CA :: 66.347 CB :: 30.962 CG :: 28.856 CD :: 50.427 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 :: 4.441 HB2 :: 2.372 HB3 :: 1.986 HG2 :: 2.049 HG3 :: 2.166 HD2 :: 3.797 HD3 :: 3.894 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.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.37 C 0.17 C Shift Assignments>> C :: 177.510 CA :: 61.208 CB :: 39.749 CD1 :: 131.709 CD2 :: 131.709 CE1 :: 131.800 CE2 :: 131.800 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 :: 7.623 HA :: 4.473 HB2 :: 3.505 HB3 :: 3.228 HD1 :: 7.259 HD2 :: 7.259 HE1 :: 6.736 HE2 :: 6.736 HZ :: 7.606 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 :: 120.431 Ave N Shift Values>> N :: 120.45(4.18) 1.F42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.52 F 0.3 C 0.17 C Shift Assignments>> C :: 176.478 CA :: 63.064 CB :: 40.077 CD1 :: 132.223 CD2 :: 132.223 CE1 :: 132.491 CE2 :: 132.491 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 :: 8.848 HA :: 3.978 HB2 :: 3.566 HB3 :: 3.141 HD1 :: 7.291 HD2 :: 7.291 HE1 :: 7.327 HE2 :: 7.327 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 :: 122.789 Ave N Shift Values>> N :: 120.45(4.18) 1.H43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 W 0.17 V 0.14 E 0.09 I 0.08 H 0.07 P 0.04 Q 0.04 K 0.03 M 0.02 C Shift Assignments>> C :: 179.613 CA :: 60.726 CB :: 30.570 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 :: 8.356 HA :: 3.745 HB2 :: 3.139 HB3 :: 3.194 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 :: 115.745 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E95 1.E95 C Shift Assignments>> C :: 177.309 CA :: 62.151 CB :: 62.845 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.507 HA :: 4.176 HB2 :: 3.945 HB3 :: 3.951 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 :: 119.788 Ave N Shift Values>> N :: 116.28(3.52) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 L 0.14 K 0.03 C Shift Assignments>> C :: 177.836 CA :: 57.662 CB :: 41.805 CG :: 25.465 CD1 :: 27.297 CD2 :: 27.297 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 :: 7.904 HA :: 3.812 HB2 :: 1.091 HB3 :: 1.517 HG :: 1.124 HD11 :: 0.666 HD12 :: 0.666 HD13 :: 0.666 HD21 :: 0.707 HD22 :: 0.707 HD23 :: 0.707 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 :: 123.624 Ave N Shift Values>> N :: 121.86(3.9) 1.S46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.458 CA :: 60.413 CB :: 62.984 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.764 HA :: 3.234 HB2 :: 2.948(S) HB3 :: 2.971 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 :: 115.475 Ave N Shift Values>> N :: 116.28(3.52) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.4 M 0.09 I 0.04 K 0.02 Q 0.01 C Shift Assignments>> C :: 176.790 CA :: 57.758 CB :: 30.659 CG :: 36.719 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 :: 6.832 HA :: 4.025 HB2 :: 1.974 HB3 :: 1.995 HG2 :: 2.094 HG3 :: 2.200 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 :: 119.244 Ave N Shift Values>> N :: 120.67(3.48) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 K 0.4 C Shift Assignments>> C :: 176.695 CA :: 58.360 CB :: 34.729 CG :: 25.166 CD :: 30.330 CE :: 41.953 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 :: 7.175 HA :: 4.015 HB2 :: 1.552 HB3 :: 1.622 HG2 :: 1.119 HG3 :: 0.524 HD2 :: 1.472 HD3 :: 1.371 HE2 :: 2.784 HE3 :: 2.726 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 :: 120.015 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 175.943 CA :: 57.285 CB :: 37.681 CD1 :: 133.596 CD2 :: 133.596 CE1 :: 118.108 CE2 :: 118.108 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 :: 8.078 HA :: 4.813 HB2 :: 3.053 HB3 :: 3.020 HD1 :: 7.317 HD2 :: 7.317 HE1 :: 6.882 HE2 :: 6.882 HH :: 7.311 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 :: 119.484 Ave N Shift Values>> N :: 120.52(4.2) 1.S50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.851 CA :: 60.790 CB :: 63.537 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.841 HA :: 4.443 HB2 :: 3.918 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 :: 115.782 Ave N Shift Values>> N :: 116.28(3.52) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.53 C 0.12 D 0.1 Y 0.08 F 0.07 L 0.02 E 0.02 M 0.02 C Shift Assignments>> C :: 172.443 CA :: 53.407 CB :: 38.092 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 :: 9.173 HA :: 4.835 HB2 :: 2.987 HB3 :: 2.928 HD21 :: 7.660 HD22 :: 6.860 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 :: 119.088 ND2 :: 113.308 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 V 0.25 C Shift Assignments>> C :: 174.037 CA :: 61.055 CB :: 35.066 CG1 :: 23.015 CG2 :: 23.723 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 :: 7.554 HA :: 4.435 HB :: 2.110 HG11 :: 0.229 HG12 :: 0.229 HG13 :: 0.229 HG21 :: 0.881 HG22 :: 0.881 HG23 :: 0.881 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 :: 121.903 Ave N Shift Values>> N :: 121.14(4.54) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 173.747 CA :: 60.455 CB :: 38.894 CG1 :: 28.183 CG2 :: 17.733 CD1 :: 13.328 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 :: 8.825 HA :: 4.335 HB :: 1.895 HG12 :: 1.265 HG13 :: 1.424 HG21 :: 0.862 HG22 :: 0.862 HG23 :: 0.862 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 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 :: 128.402 Ave N Shift Values>> N :: 121.46(4.28) 1.F54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 F 0.33 C 0.17 C Shift Assignments>> C :: 174.865 CA :: 57.023 CB :: 40.986 CD1 :: 132.765 CD2 :: 132.765 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 :: 8.656 HA :: 5.215 HB2 :: 2.783 HB3 :: 2.399 HD1 :: 6.640 HD2 :: 6.640 HE1 :: 7.278 HE2 :: 7.278 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 :: 126.558 Ave N Shift Values>> N :: 120.45(4.18) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.27 C 0.15 A 0.01 HN Overlap>> 1.K8 1.K8 C Shift Assignments>> C :: 175.078 CA :: 53.089 CB :: 46.061 CG :: 25.958 CD1 :: 24.100 CD2 :: 24.100 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 :: 9.425 HA :: 5.440 HB2 :: 1.696 HB3 :: 1.283 HG :: 1.490 HD11 :: 0.546 HD12 :: 0.546 HD13 :: 0.546 HD21 :: 0.820 HD22 :: 0.820 HD23 :: 0.820 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 :: 122.941 Ave N Shift Values>> N :: 121.86(3.9) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 M 0.14 E 0.09 C Shift Assignments>> C :: 173.601 CA :: 55.356 CB :: 33.936 CG :: 36.978 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 :: 8.525 HA :: 4.969 HB2 :: 1.835 HB3 :: 1.791 HG2 :: 1.977 HG3 :: 2.141 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 :: 122.083 Ave N Shift Values>> N :: 120.67(3.48) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 173.238 CA :: 60.873 CB :: 34.768 CG1 :: 21.452 CG2 :: 20.603 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 :: 8.466 HA :: 3.860 HB :: 1.058 HG11 :: 0.030 HG12 :: 0.030 HG13 :: 0.030 HG21 :: 0.283 HG22 :: 0.283 HG23 :: 0.283 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 :: 126.017 Ave N Shift Values>> N :: 121.14(4.54) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 D 0.25 K 0.08 G 0.06 C 0.05 F 0.05 Y 0.03 N 0.02 C Shift Assignments>> C :: 178.149 CA :: 53.611 CB :: 43.044 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 :: 9.025 HA :: 4.897 HB2 :: 2.864 HB3 :: 2.339 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 :: 129.194 Ave N Shift Values>> N :: 120.65(3.86) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 V 0.15 I 0.03 C Shift Assignments>> C :: 176.065 CA :: 65.225 CB :: 31.442 CG1 :: 18.156 CG2 :: 18.096 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 :: 8.787 HA :: 3.597 HB :: 2.157 HG11 :: 1.030 HG12 :: 1.030 HG13 :: 1.030 HG21 :: 0.944 HG22 :: 0.944 HG23 :: 0.944 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 :: 120.763 Ave N Shift Values>> N :: 121.14(4.54) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.2 L 0.18 Y 0.15 D 0.12 C 0.08 I 0.02 N 0.01 C Shift Assignments>> C :: 178.207 CA :: 57.107 CB :: 41.330 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 :: 8.250 HA :: 4.781 HB2 :: 2.921 HB3 :: 2.731 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 :: 120.623 Ave N Shift Values>> N :: 120.65(3.86) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.22 F 0.19 L 0.18 Y 0.15 D 0.11 C 0.08 I 0.02 N 0.01 C Shift Assignments>> C :: 177.094 CA :: 57.206 CB :: 41.427 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 :: 8.520 HA :: 4.568 HB2 :: 2.710 HB3 :: 2.947 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 :: 121.263 Ave N Shift Values>> N :: 120.65(3.86) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 M 0.21 N 0.2 E 0.1 Q 0.06 K 0.06 Y 0.02 F 0.01 H 0.01 C Shift Assignments>> C :: 174.512 CA :: 52.750 CB :: 35.562 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.928 HA :: 4.719 HB2 :: 3.321 HB3 :: 3.701 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 :: 119.711 Ave N Shift Values>> N :: 120.17(4.64) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.21 Q 0.19 E 0.12 I 0.06 M 0.01 C Shift Assignments>> C :: 178.210 CA :: 59.882 CB :: 29.063 CG :: 34.378 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 :: 8.117 HA :: 4.146 HB2 :: 2.156 HB3 :: 2.155 HG2 :: 2.580 HG3 :: 2.581 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 :: 122.367 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.27 F 0.25 C 0.16 D 0.08 N 0.06 I 0.06 L 0.05 E 0.01 C Shift Assignments>> C :: 178.191 CA :: 56.867 CB :: 38.971 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 :: 8.962 HA :: 4.359 HB2 :: 2.852 HB3 :: 2.705 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 :: 119.158 Ave N Shift Values>> N :: 120.65(3.86) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 178.761 CA :: 66.015 CB :: 32.705 CG1 :: 21.210 CG2 :: 21.210 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 :: 7.999 HA :: 3.677 HB :: 2.010 HG11 :: 0.427 HG12 :: 0.427 HG13 :: 0.427 HG21 :: 1.086 HG22 :: 1.086 HG23 :: 1.086 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 :: 122.424 Ave N Shift Values>> N :: 121.14(4.54) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.32 I 0.07 C 0.05 V 0.02 C Shift Assignments>> C :: 178.456 CA :: 56.040 CB :: 18.813 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.311 HA :: 3.681 HB1 :: 1.412 HB2 :: 1.412 HB3 :: 1.412 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.527 Ave N Shift Values>> N :: 123.23(3.54) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 179.259 CA :: 61.672 CB :: 63.193 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.323 HA :: 4.285 HB2 :: 4.040 HB3 :: 4.057 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 :: 113.223 Ave N Shift Values>> N :: 116.28(3.52) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.28 I 0.23 K 0.01 M 0.01 C Shift Assignments>> C :: 178.449 CA :: 59.589 CB :: 29.843 CG :: 37.259 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 :: 8.368 HA :: 4.097 HB2 :: 2.137 HB3 :: 2.113 HG2 :: 2.381 HG3 :: 2.319 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 :: 124.065 Ave N Shift Values>> N :: 120.67(3.48) 1.S69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.658 CA :: 59.810 CB :: 64.041 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.746 HA :: 4.542 HB2 :: 3.500 HB3 :: 3.898 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 :: 113.907 Ave N Shift Values>> N :: 116.28(3.52) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 I 0.24 E 0.23 L 0.02 K 0.02 C Shift Assignments>> C :: 175.148 CA :: 57.216 CB :: 27.364 CG :: 37.245 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 :: 7.769 HA :: 3.785 HB2 :: 2.068 HB3 :: 2.122 HG2 :: 2.062 HG3 :: 2.129 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 :: 117.051 Ave N Shift Values>> N :: 120.67(3.48) 1.V71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 176.463 CA :: 64.003 CB :: 31.684 CG1 :: 21.661 CG2 :: 21.159 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 :: 7.473 HA :: 3.590 HB :: 1.479 HG11 :: -0.106(S) HG12 :: -0.106(S) HG13 :: -0.106(S) HG21 :: 0.530 HG22 :: 0.530 HG23 :: 0.530 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 :: 118.749 Ave N Shift Values>> N :: 121.14(4.54) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.44 G 0.04 C Shift Assignments>> C :: 175.702 CA :: 56.506 CB :: 35.126 CG :: 24.630 CD :: 28.904 CE :: 42.849 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 :: 8.783 HA :: 4.446 HB2 :: 1.897 HB3 :: 1.661 HG2 :: 1.341 HG3 :: 1.308 HD2 :: 1.600 HD3 :: 1.629 HE2 :: 2.929 HE3 :: 2.997 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 :: 127.167 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.711 CA :: 58.128 CB :: 64.947 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.555 HA :: 4.562 HB2 :: 3.719 HB3 :: 3.745 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 :: 114.594 Ave N Shift Values>> N :: 116.28(3.52) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.29 C 0.21 Q 0.17 K 0.15 H 0.08 W 0.04 E 0.01 C Shift Assignments>> CA :: 53.034 CB :: 33.207 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 :: 8.822 HA :: 5.541 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 :: 122.572 Ave N Shift Values>> N :: 120.09(3.57) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.74 P 0.25 C Shift Assignments>> C :: 176.412 CA :: 63.346 CB :: 34.254 CG :: 25.123 CD :: 50.208 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 :: 5.047 HB2 :: 1.404 HB3 :: 2.108 HG2 :: 1.803 HG3 :: 1.654 HD2 :: 3.458 HD3 :: 3.125 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.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 170.462 CA :: 63.505 CB :: 73.171 CG2 :: 21.537 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 :: 8.125 HA :: 4.579 HB :: 3.790 HG21 :: 1.126 HG22 :: 1.126 HG23 :: 1.126 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 :: 117.238 Ave N Shift Values>> N :: 115.42(4.75) 1.F77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.19 F 0.16 C Shift Assignments>> C :: 175.241 CA :: 55.958 CB :: 41.333 CD1 :: 133.003 CD2 :: 133.003 CZ :: 131.633 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 :: 8.936 HA :: 5.702 HB2 :: 2.265 HB3 :: 2.127 HD1 :: 6.600 HD2 :: 6.600 HE1 :: 6.918 HE2 :: 6.918 HZ :: 7.393 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 :: 125.731 Ave N Shift Values>> N :: 120.45(4.18) 1.Q78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.35 E 0.07 Q 0.03 C Shift Assignments>> C :: 173.088 CA :: 54.709 CB :: 33.724 CG :: 35.088 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 :: 8.763 HA :: 5.015 HB2 :: 1.941 HB3 :: 2.181 HG2 :: 2.400 HG3 :: 2.404 HE21 :: 6.915 HE22 :: 6.577 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 :: 119.347 NE2 :: 107.344 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.22 F 0.16 G 0.01 C Shift Assignments>> C :: 174.829 CA :: 56.125 CB :: 41.929 CD1 :: 131.258 CD2 :: 131.258 CZ :: 132.728 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 :: 8.066 HA :: 5.531 HB2 :: 2.615 HB3 :: 2.480 HD1 :: 6.918 HD2 :: 6.918 HE1 :: 7.169 HE2 :: 7.169 HZ :: 7.513 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 :: 120.166 Ave N Shift Values>> N :: 120.45(4.18) 1.F80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 F 0.32 C 0.1 C Shift Assignments>> C :: 174.768 CA :: 56.940 CB :: 44.702 CD1 :: 131.830 CD2 :: 131.830 CE1 :: 132.072 CE2 :: 132.072 CZ :: 128.703 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 :: 10.017 HA :: 5.595 HB2 :: 2.633 HB3 :: 2.707 HD1 :: 6.758 HD2 :: 6.758 HE1 :: 6.814 HE2 :: 6.814 HZ :: 6.707 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 :: 122.818 Ave N Shift Values>> N :: 120.45(4.18) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 K 0.21 G 0.04 C Shift Assignments>> C :: 176.623 CA :: 57.007 CB :: 36.779 CG :: 25.402 CD :: 29.778 CE :: 42.681 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 :: 8.895 HA :: 4.620 HB2 :: 1.681 HB3 :: 1.724 HG2 :: 1.416 HG3 :: 1.669 HD2 :: 1.647 HD3 :: 1.773 HE2 :: 3.042 HE3 :: 2.903 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 :: 118.813 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K82 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 K 0.45 G 0.01 C Shift Assignments>> C :: 177.239 CA :: 57.438 CB :: 30.392 CG :: 25.274 CD :: 29.431 CE :: 42.360 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 :: 10.167(S) HA :: 4.016 HB2 :: 2.116 HB3 :: 1.831 HG2 :: 1.397 HG3 :: 1.481 HD2 :: 2.110 HD3 :: 1.729 HE2 :: 2.939 HE3 :: 2.998 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 :: 129.011 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G83 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>> C :: 173.244 CA :: 46.092 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.398 HA2 :: 4.199 HA3 :: 3.352 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.056 Ave N Shift Values>> N :: 109.67(3.87) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.26 Q 0.2 E 0.03 K 0.01 C Shift Assignments>> C :: 174.644 CA :: 53.936 CB :: 31.737 CG :: 33.800 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 :: 7.840 HA :: 4.736 HB2 :: 1.994 HB3 :: 2.142 HG2 :: 2.384 HG3 :: 2.352 HE21 :: 7.825 HE22 :: 7.033 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 :: 119.400 NE2 :: 113.801 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K85 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.49 K 0.48 G 0.01 C Shift Assignments>> C :: 177.485 CA :: 57.594 CB :: 31.872 CG :: 25.171 CD :: 29.405 CE :: 42.427 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 :: 9.012 HA :: 3.997 HB2 :: 1.412 HB3 :: 1.792 HG2 :: 0.513(S) HG3 :: 1.093 HD2 :: 1.610 HD3 :: 1.610 HE2 :: 2.719 HE3 :: 2.791 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 :: 127.047 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 175.494 CA :: 61.077 CB :: 33.023 CG1 :: 21.933 CG2 :: 19.516 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 :: 9.247 HA :: 4.555 HB :: 2.449 HG11 :: 0.963 HG12 :: 0.963 HG13 :: 0.963 HG21 :: 0.651 HG22 :: 0.651 HG23 :: 0.651 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 :: 121.994 Ave N Shift Values>> N :: 121.14(4.54) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 171.427 CA :: 46.373 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.533 HA2 :: 4.299 HA3 :: 3.738 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.487 Ave N Shift Values>> N :: 109.67(3.87) 1.E88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 M 0.27 E 0.15 Q 0.02 C Shift Assignments>> C :: 174.613 CA :: 56.590 CB :: 33.373 CG :: 35.666 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 :: 8.660 HA :: 5.680(S) HB2 :: 2.176 HB3 :: 2.354 HG2 :: 2.144 HG3 :: 2.206 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 :: 118.523 Ave N Shift Values>> N :: 120.67(3.48) 1.F89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.44 F 0.38 C 0.16 C Shift Assignments>> C :: 172.260 CA :: 58.536 CB :: 41.392 CD1 :: 132.515 CD2 :: 132.515 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 :: 9.078 HA :: 5.055 HB2 :: 3.403 HB3 :: 3.506 HD1 :: 7.318 HD2 :: 7.318 HE1 :: 6.872 HE2 :: 6.872 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 :: 119.017 Ave N Shift Values>> N :: 120.45(4.18) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 173.825 CA :: 57.633 CB :: 66.404 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.985 HA :: 5.317 HB2 :: 3.884 HB3 :: 3.720 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 :: 116.879 Ave N Shift Values>> N :: 116.28(3.52) 1.G91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.35 C 0.05 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 172.680 CA :: 44.219 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.164 HA2 :: 4.663 HA3 :: 3.722 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.266 Ave N Shift Values>> N :: 109.67(3.87) 1.A92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C 0.01 C Shift Assignments>> C :: 175.320 CA :: 51.229 CB :: 18.556 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.666 HA :: 4.489 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.693 Ave N Shift Values>> N :: 123.23(3.54) 1.N93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.26 L 0.07 C 0.07 F 0.06 Y 0.05 C Shift Assignments>> C :: 174.729 CA :: 52.615 CB :: 39.588 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 :: 7.577 HA :: 4.832 HB2 :: 2.941 HB3 :: 2.695 HD21 :: 7.304 HD22 :: 7.397 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 :: 122.233 ND2 :: 113.978 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.41 C Shift Assignments>> C :: 177.795 CA :: 60.849 CB :: 32.827 CG :: 25.710 CD :: 29.636 CE :: 41.914 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 :: 8.604 HA :: 3.610 HB2 :: 1.392 HB3 :: 1.392 HG2 :: 0.639 HG3 :: 1.221 HD2 :: 1.104 HD3 :: 1.104 HE2 :: 2.649 HE3 :: 2.649 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 :: 125.732 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.4 C 0.39 E 0.17 K 0.01 HN Overlap>> 1.S44 1.S44 C Shift Assignments>> C :: 179.602 CA :: 60.319 CB :: 29.062 CG :: 37.380 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 :: 8.421 HA :: 4.093 HB2 :: 2.131 HB3 :: 1.965 HG2 :: 2.370 HG3 :: 2.252 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 :: 119.798 Ave N Shift Values>> N :: 120.67(3.48) 1.K96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 K 0.49 C Shift Assignments>> C :: 179.395 CA :: 58.469 CB :: 32.719 CG :: 24.766 CD :: 29.454 CE :: 42.157 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 :: 7.849 HA :: 3.875 HB2 :: 1.368 HB3 :: 1.015 HG2 :: 0.362(S) HG3 :: 0.767 HD2 :: 1.190 HD3 :: 1.018 HE2 :: 2.648 HE3 :: 2.541 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 :: 121.604 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 L 0.23 G 0.01 C Shift Assignments>> C :: 176.899 CA :: 59.463 CB :: 41.859 CG :: 26.802 CD1 :: 22.882 CD2 :: 26.881 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 :: 8.059 HA :: 4.105 HB2 :: 2.272 HB3 :: 1.521 HG :: 1.523 HD11 :: 0.654 HD12 :: 0.654 HD13 :: 0.654 HD21 :: 0.809 HD22 :: 0.809 HD23 :: 0.809 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 :: 123.721 Ave N Shift Values>> N :: 121.86(3.9) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 I 0.34 E 0.17 K 0.01 C Shift Assignments>> C :: 178.011 CA :: 61.150 CB :: 29.996 CG :: 37.131 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 :: 7.883 HA :: 3.858 HB2 :: 2.233 HB3 :: 2.225 HG2 :: 2.367 HG3 :: 2.535 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 :: 117.921 Ave N Shift Values>> N :: 120.67(3.48) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 M 0.42 C 0.05 I 0.04 V 0.01 L 0.01 C Shift Assignments>> C :: 180.572 CA :: 55.589 CB :: 19.037 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.393 HA :: 4.124 HB1 :: 1.416 HB2 :: 1.416 HB3 :: 1.416 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.045 Ave N Shift Values>> N :: 123.23(3.54) 1.T100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.622 CA :: 67.548 CB :: 68.792 CG2 :: 20.946 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 :: 8.065 HA :: 3.674 HB :: 3.976 HG21 :: 0.295(S) HG22 :: 0.295(S) HG23 :: 0.295(S) 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 :: 115.885 Ave N Shift Values>> N :: 115.42(4.75) 1.I101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.506 CA :: 66.986 CB :: 38.442 CG1 :: 30.817 CG2 :: 16.356 CD1 :: 15.784 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 :: 7.492 HA :: 3.216 HB :: 1.707 HG12 :: 0.779 HG13 :: 2.133 HG21 :: 0.175 HG22 :: 0.175 HG23 :: 0.175 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 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 :: 120.746 Ave N Shift Values>> N :: 121.46(4.28) 1.N102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 C 0.13 D 0.11 L 0.09 I 0.06 N 0.03 K 0.01 C Shift Assignments>> C :: 176.855 CA :: 57.231 CB :: 39.910 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 :: 7.518 HA :: 4.315 HB2 :: 2.759 HB3 :: 2.738 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 :: 113.803 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.39 M 0.07 I 0.06 K 0.02 Q 0.02 C Shift Assignments>> C :: 177.963 CA :: 58.654 CB :: 30.634 CG :: 36.480 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 :: 7.779 HA :: 4.113 HB2 :: 2.131 HB3 :: 2.029 HG2 :: 2.372 HG3 :: 2.209 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 :: 119.025 Ave N Shift Values>> N :: 120.67(3.48) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.23 L 0.23 A 0.04 C Shift Assignments>> C :: 176.657 CA :: 55.560 CB :: 45.433 CG :: 27.023 CD1 :: 26.240 CD2 :: 22.434 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 :: 7.402 HA :: 4.402 HB2 :: 1.575 HB3 :: 1.413 HG :: 1.620 HD11 :: 0.711 HD12 :: 0.711 HD13 :: 0.711 HD21 :: 0.293 HD22 :: 0.293 HD23 :: 0.293 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 :: 118.173 Ave N Shift Values>> N :: 121.86(3.9) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> CA :: 65.883 CB :: 31.942 CG1 :: 22.380 CG2 :: 21.566 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 :: 7.524 HA :: 3.793 HB :: 2.140 HG11 :: 1.020 HG12 :: 1.020 HG13 :: 1.020 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 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 :: 124.305 Ave N Shift Values>> N :: 121.14(4.54) ########################################################################### Overall Results: #Consistent: 96 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 105 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 105 #Suspicious: 0 C Shift Results: #Consistent: 457 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 713 #Duplicate: 0 #Unknown: 0 #Suspicious: 14 #Anomalous: 0 N Shift Results: #Consistent: 106 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.A29 HB1 = 0.046(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2927e-07 1.A29 HB2 = 0.046(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2927e-07 1.A29 HB3 = 0.046(S), Expected = 1.35, Std = 0.2600, ChiSquare = 5.2927e-07 1.W31 NE1 = 136.510(S), Expected = 129.32, Std = 2.1100, ChiSquare = 6.5541e-04 1.S46 HB2 = 2.948(S), Expected = 3.88, Std = 0.2500, ChiSquare = 1.9301e-04 1.V71 HG11 = -0.106(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.1822e-04 1.V71 HG12 = -0.106(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.1822e-04 1.V71 HG13 = -0.106(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.1822e-04 1.K82 H = 10.167(S), Expected = 8.19, Std = 0.6000, ChiSquare = 9.8422e-04 1.K85 HG2 = 0.513(S), Expected = 1.37, Std = 0.2600, ChiSquare = 9.8018e-04 1.E88 HA = 5.680(S), Expected = 4.25, Std = 0.4100, ChiSquare = 4.8700e-04 1.K96 HG2 = 0.362(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.0579e-04 1.T100 HG21 = 0.295(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.3886e-04 1.T100 HG22 = 0.295(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.3886e-04 1.T100 HG23 = 0.295(S), Expected = 1.14, Std = 0.2300, ChiSquare = 2.3886e-04