Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.N1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.99 C Shift Assignments>> CA :: 59.998 CG2 :: 15.706 CD1 :: 14.098 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>> HA :: 4.504 HB :: 1.742 HG12 :: 1.484 HG13 :: 1.484 HG21 :: 0.516 HG22 :: 0.516 HG23 :: 0.516 HD11 :: 0.654 HD12 :: 0.654 HD13 :: 0.654 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) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.84 G 0.15 C Shift Assignments>> C :: 175.217 CA :: 55.557 CB :: 42.803 CD1 :: 133.520 CE1 :: 116.967 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>> HA :: 5.468 HB2 :: 2.465 HB3 :: 2.465 HD1 :: 6.596 HD2 :: 6.596 HE1 :: 6.473 HE2 :: 6.473 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) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.94 M 0.05 C Shift Assignments>> C :: 178.046 CA :: 50.850 CB :: 19.091 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.346 HA :: 5.059 HB1 :: 1.220 HB2 :: 1.220 HB3 :: 1.220 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.574 Ave N Shift Values>> N :: 123.23(3.54) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.434 CA :: 58.257 CB :: 64.521 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.418 HA :: 4.729 HB2 :: 3.759 HB3 :: 3.890 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 :: 119.626 Ave N Shift Values>> N :: 116.28(3.52) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.907 CA :: 58.535 CB :: 64.127 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.472 HA :: 4.490 HB2 :: 3.784 HB3 :: 3.784 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 :: 114.027 Ave N Shift Values>> N :: 116.28(3.52) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.371 CA :: 61.486 CB :: 34.894 CG1 :: 20.076 CG2 :: 21.468 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 :: 8.483 HA :: 4.675 HB :: 1.896 HG11 :: 0.765 HG12 :: 0.765 HG13 :: 0.765 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 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 :: 122.369 Ave N Shift Values>> N :: 121.14(4.54) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 P 0.34 K 0.01 I 0.01 C Shift Assignments>> C :: 176.080 CA :: 62.717 CB :: 32.966 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 :: 8.150 HA :: 3.949 HB :: 1.751 HG11 :: 1.013 HG12 :: 1.013 HG13 :: 1.013 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 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 :: 127.144 Ave N Shift Values>> N :: 121.14(4.54) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.58 K 0.13 I 0.1 Q 0.09 M 0.06 C Shift Assignments>> C :: 176.359 CA :: 58.087 CB :: 29.799 CG :: 36.111 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 :: 8.584 HA :: 3.908 HB2 :: 1.996 HB3 :: 1.996 HG2 :: 2.331 HG3 :: 2.331 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 125.041 Ave N Shift Values>> N :: 120.67(3.48) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 Y 0.1 E 0.1 F 0.07 M 0.06 D 0.05 L 0.01 K 0.01 C Shift Assignments>> C :: 173.887 CA :: 53.677 CB :: 37.301 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 :: 8.492 HA :: 4.495 HB2 :: 2.939 HB3 :: 2.939 HD21 :: 6.831 HD22 :: 7.575 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 114.026 ND2 :: 112.406 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 K 0.17 Q 0.15 H 0.13 R 0.12 P 0.04 E 0.02 C Shift Assignments>> CA :: 52.703 CB :: 32.817 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.162 HA :: 5.167 HB2 :: 1.831 HB3 :: 1.831 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 :: 116.803 Ave N Shift Values>> N :: 120.09(3.57) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.153 CA :: 65.451 CB :: 33.753 CD :: 51.017 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 :: 4.286 HB2 :: 1.746 HB3 :: 2.670 HG2 :: 1.790 HG3 :: 1.790 HD2 :: 3.392 HD3 :: 3.805 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.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 L 0.02 C Shift Assignments>> C :: 177.591 CA :: 53.511 CB :: 19.785 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.059 HA :: 3.981 HB1 :: 1.194 HB2 :: 1.194 HB3 :: 1.194 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 114.729 Ave N Shift Values>> N :: 123.23(3.54) 1.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 177.274 CA :: 57.835 CB :: 30.515 CG :: 24.049 CD :: 28.472 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 :: 7.585 HA :: 4.033 HB2 :: 2.072 HB3 :: 1.951 HG2 :: 1.377 HG3 :: 1.377 HD2 :: 1.768 HD3 :: 1.768 HE2 :: 2.978 HE3 :: 2.978 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.778 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.1 R 0.01 F 0.01 C Shift Assignments>> C :: 173.925 CA :: 45.283 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.685 HA2 :: 3.737 HA3 :: 4.344 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.279 Ave N Shift Values>> N :: 109.67(3.87) 1.K17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 175.290 CA :: 57.016 CB :: 35.544 CG :: 24.974 CD :: 28.824 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 :: 4.525 HB2 :: 1.676 HB3 :: 1.676 HG2 :: 1.372 HG3 :: 1.372 HD2 :: 2.144 HD3 :: 2.434(S) HE2 :: 2.664 HE3 :: 2.664 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.741 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 A 0.02 C Shift Assignments>> C :: 173.354 CA :: 58.320 CB :: 39.176 CG1 :: 27.685 CG2 :: 16.913 CD1 :: 12.045 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 :: 8.266 HA :: 4.205 HB :: 1.606 HG12 :: 1.221 HG13 :: 1.282 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 HD11 :: 0.704 HD12 :: 0.704 HD13 :: 0.704 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 :: 119.872 Ave N Shift Values>> N :: 121.46(4.28) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.68 E 0.2 Q 0.1 C Shift Assignments>> C :: 175.997 CA :: 53.379 CB :: 32.197 CG :: 35.389 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 :: 9.005 HA :: 4.572 HB2 :: 1.702 HB3 :: 2.001 HG2 :: 2.088 HG3 :: 2.168 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 :: 126.354 Ave N Shift Values>> N :: 120.67(3.48) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I39 1.I39 C Shift Assignments>> C :: 178.271 CA :: 65.837 CB :: 31.208 CG1 :: 21.255 CG2 :: 23.043 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 :: 8.731 HA :: 3.222 HB :: 1.930 HG11 :: 0.961 HG12 :: 0.961 HG13 :: 0.961 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 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 :: 121.188 Ave N Shift Values>> N :: 121.14(4.54) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.2 R 0.07 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.845 CA :: 44.725 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.255 HA2 :: 3.803 HA3 :: 4.604 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 116.966 Ave N Shift Values>> N :: 109.67(3.87) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 D 0.21 K 0.19 F 0.15 Y 0.12 N 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 174.612 CA :: 55.973 CB :: 41.336 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 :: 8.323 HA :: 4.619 HB2 :: 2.311 HB3 :: 2.695 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.175 Ave N Shift Values>> N :: 120.65(3.86) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.97 A 0.02 C Shift Assignments>> C :: 176.420 CA :: 53.931 CB :: 35.556 CG :: 24.749 CD :: 29.890 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 :: 8.243 HA :: 4.658 HB3 :: 1.777 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 :: 122.047 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.935 CA :: 60.303 CB :: 36.683 CG1 :: 28.632 CG2 :: 19.079 CD1 :: 12.006 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 :: 8.904 HA :: 4.244 HB :: 1.647 HG12 :: 1.163 HG13 :: 1.163 HG21 :: 0.699 HG22 :: 0.699 HG23 :: 0.699 HD11 :: 0.579 HD12 :: 0.579 HD13 :: 0.579 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 :: 126.969 Ave N Shift Values>> N :: 121.46(4.28) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.484 CA :: 62.549 CB :: 38.847 CG1 :: 27.566 CG2 :: 17.495 CD1 :: 12.250 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 :: 9.058 HA :: 3.986 HB :: 1.600 HG12 :: 1.084 HG13 :: 1.373 HG21 :: 0.851 HG22 :: 0.851 HG23 :: 0.851 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 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 :: 127.431 Ave N Shift Values>> N :: 121.46(4.28) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.95 T 0.04 C Shift Assignments>> C :: 172.501 CA :: 56.613 CB :: 66.135 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.698 HA :: 5.189 HB2 :: 3.405 HB3 :: 3.748 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 :: 109.669 Ave N Shift Values>> N :: 116.28(3.52) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 L 0.26 C Shift Assignments>> C :: 176.493 CA :: 50.746 CB :: 22.168 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.714 HA :: 5.285 HB1 :: 1.108 HB2 :: 1.108 HB3 :: 1.108 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.303 Ave N Shift Values>> N :: 123.23(3.54) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.22 Y 0.21 N 0.18 L 0.11 I 0.02 C Shift Assignments>> C :: 175.538 CA :: 55.591 CB :: 39.435 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 :: 10.042 HA :: 4.508 HB2 :: 2.714 HB3 :: 3.103 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 :: 125.411 Ave N Shift Values>> N :: 120.65(3.86) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.09 R 0.01 C Shift Assignments>> C :: 173.570 CA :: 45.360 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.642 HA2 :: 3.569 HA3 :: 4.133 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.539 Ave N Shift Values>> N :: 109.67(3.87) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 Q 0.09 R 0.03 C Shift Assignments>> CA :: 54.703 CB :: 34.348 CG :: 24.663 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 :: 7.741 HA :: 4.446 HB2 :: 1.524 HB3 :: 1.560 HG2 :: 0.891 HG3 :: 1.142 HE2 :: 2.731 HE3 :: 2.731 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 :: 121.777 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.21 F 0.07 Y 0.07 L 0.06 C Shift Assignments>> C :: 174.607 CA :: 53.056 CB :: 39.022 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>> HA :: 4.835 HB2 :: 2.625 HB3 :: 2.625 HD21 :: 6.787 HD22 :: 7.484 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>> ND2 :: 111.444 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.95 G 0.04 C Shift Assignments>> CA :: 58.447 CB :: 42.430 CD1 :: 133.152 CE1 :: 117.493 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 :: 7.900 HA :: 4.488 HB2 :: 2.395 HB3 :: 2.723 HD1 :: 6.974 HD2 :: 6.974 HE1 :: 6.551 HE2 :: 6.551 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.116 Ave N Shift Values>> N :: 120.52(4.2) 1.Q33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.586 CA :: 55.632 CB :: 64.905 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.776 HB2 :: 3.900 HB3 :: 4.099 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) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.41 I 0.04 C Shift Assignments>> C :: 178.124 CA :: 55.445 CB :: 18.515 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.928 HA :: 3.706 HB1 :: 1.284 HB2 :: 1.284 HB3 :: 1.284 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.133 Ave N Shift Values>> N :: 123.23(3.54) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 E 0.25 K 0.02 C Shift Assignments>> C :: 178.703 CA :: 60.507 CB :: 28.879 CG :: 37.354 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 :: 8.868 HA :: 3.849 HB2 :: 1.986 HB3 :: 1.986 HG2 :: 2.154 HG3 :: 2.327 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 :: 116.594 Ave N Shift Values>> N :: 120.67(3.48) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 179.335 CA :: 58.256 CB :: 32.330 CG :: 25.375 CD :: 28.545 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 :: 7.430 HA :: 4.221 HB2 :: 2.094 HB3 :: 2.192 HG2 :: 1.584 HG3 :: 1.735 HD2 :: 1.835 HD3 :: 1.835 HE2 :: 3.042 HE3 :: 3.042 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 :: 117.651 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.03 K 0.01 C Shift Assignments>> C :: 178.033 CA :: 57.826 CB :: 40.701 CG :: 27.069 CD1 :: 27.193 CD2 :: 23.553 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 :: 7.460 HA :: 3.428 HB2 :: 0.903 HB3 :: 1.731 HG :: 1.183 HD11 :: 0.647 HD12 :: 0.647 HD13 :: 0.647 HD21 :: 0.407 HD22 :: 0.407 HD23 :: 0.407 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 :: 122.740 Ave N Shift Values>> N :: 121.86(3.9) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 V 0.08 Y 0.04 F 0.03 HN Overlap>> 1.V20 1.V20 C Shift Assignments>> C :: 179.082 CA :: 64.530 CB :: 37.070 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 :: 8.698 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 :: 121.141 Ave N Shift Values>> N :: 121.46(4.28) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.26 L 0.13 D 0.11 K 0.08 I 0.06 N 0.01 C Shift Assignments>> C :: 178.347 CA :: 57.604 CB :: 40.589 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 :: 8.075 HA :: 4.321 HB2 :: 2.683 HB3 :: 2.822 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 :: 121.678 Ave N Shift Values>> N :: 120.65(3.86) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 179.206 CA :: 61.483 CB :: 38.165 CD1 :: 132.812 CE1 :: 117.270 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 :: 7.594 HA :: 4.347 HB2 :: 3.017 HB3 :: 3.248 HD1 :: 6.896 HD2 :: 6.896 HE1 :: 6.621 HE2 :: 6.621 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.220 Ave N Shift Values>> N :: 120.52(4.2) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.268 CA :: 66.047 CB :: 37.553 CG1 :: 29.451 CG2 :: 18.003 CD1 :: 12.404 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 :: 8.530 HA :: 3.079 HB :: 1.916 HG12 :: 0.931 HG13 :: 1.793 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 HD11 :: 0.700 HD12 :: 0.700 HD13 :: 0.700 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 :: 121.431 Ave N Shift Values>> N :: 121.46(4.28) 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 :: 174.017 CA :: 60.572 CB :: 63.516 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.484 HA :: 4.464 HB2 :: 4.084 HB3 :: 4.084 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 :: 111.649 Ave N Shift Values>> N :: 116.28(3.52) 1.S44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.358 CA :: 59.366 CB :: 63.861 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.514 HA :: 4.442 HB2 :: 3.998 HB3 :: 3.998 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 :: 116.219 Ave N Shift Values>> N :: 116.28(3.52) 1.K45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.72 Q 0.13 R 0.13 C Shift Assignments>> C :: 174.054 CA :: 54.917 CB :: 33.354 CG :: 25.237 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 :: 7.331 HA :: 4.310 HB2 :: 1.956 HB3 :: 1.956 HG2 :: 1.057 HG3 :: 1.233 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 :: 123.605 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.84 R 0.08 G 0.04 A 0.03 C Shift Assignments>> C :: 175.988 CA :: 53.637 CB :: 35.214 CG :: 24.246 CD :: 28.815 CE :: 42.343 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 :: 8.733 HA :: 4.488 HB2 :: 1.649 HB3 :: 1.738 HG2 :: 1.369 HG3 :: 1.682 HE2 :: 2.982 HE3 :: 2.982 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 :: 118.118 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.43 I 0.01 C Shift Assignments>> C :: 178.233 CA :: 53.804 CB :: 17.591 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.494 HA :: 3.431 HB1 :: 1.261 HB2 :: 1.261 HB3 :: 1.261 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.218 Ave N Shift Values>> N :: 123.23(3.54) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.11 R 0.02 F 0.01 C Shift Assignments>> C :: 174.611 CA :: 45.176 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.312 HA2 :: 3.402 HA3 :: 4.447 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.610 Ave N Shift Values>> N :: 109.67(3.87) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.26 K 0.16 F 0.09 Y 0.06 N 0.06 R 0.04 C Shift Assignments>> C :: 174.447 CA :: 54.590 CB :: 41.570 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 :: 8.170 HA :: 4.693 HB2 :: 2.640 HB3 :: 3.064 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 :: 121.749 Ave N Shift Values>> N :: 120.65(3.86) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 176.585 CA :: 54.832 CB :: 35.459 CG :: 25.153 CD :: 29.361 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 :: 8.475 HA :: 5.413 HB2 :: 1.530 HB3 :: 1.530 HG2 :: 1.387 HG3 :: 1.387 HD2 :: 1.523 HD3 :: 1.523 HE2 :: 2.908 HE3 :: 2.908 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 :: 118.095 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.557 CA :: 59.846 CB :: 35.974 CG1 :: 20.674 CG2 :: 21.096 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 :: 8.859 HA :: 4.945 HB :: 1.750 HG11 :: 0.871 HG12 :: 0.871 HG13 :: 0.871 HG21 :: 0.920 HG22 :: 0.920 HG23 :: 0.920 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 :: 118.538 Ave N Shift Values>> N :: 121.14(4.54) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.517 CA :: 61.804 CB :: 69.908 CG2 :: 21.266 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 :: 9.148 HA :: 5.143 HB :: 4.043 HG21 :: 1.075 HG22 :: 1.075 HG23 :: 1.075 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 :: 123.639 Ave N Shift Values>> N :: 115.42(4.75) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 G 0.37 A 0.03 C Shift Assignments>> C :: 175.264 CA :: 53.191 CB :: 44.064 CG :: 25.863 CD1 :: 23.913 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 :: 9.604 HA :: 5.323 HB2 :: 1.334 HB3 :: 1.686 HD11 :: 0.778 HD12 :: 0.778 HD13 :: 0.778 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 :: 129.482 Ave N Shift Values>> N :: 121.86(3.9) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.81 R 0.18 C Shift Assignments>> C :: 175.374 CA :: 55.762 CB :: 33.611 CG :: 25.528 CD :: 29.226 CE :: 41.639 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 :: 8.180 HA :: 5.130 HB2 :: 1.544 HB3 :: 1.910 HG2 :: 1.145 HG3 :: 1.344 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 :: 123.252 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 G 0.13 A 0.12 HN Overlap>> 1.V64 1.V64 C Shift Assignments>> C :: 174.293 CA :: 58.240 CB :: 42.545 CG1 :: 27.153 CG2 :: 18.853 CD1 :: 14.927 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 :: 9.178 HA :: 5.517 HB :: 1.813 HG12 :: 0.994 HG13 :: 1.267 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 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 :: 122.579 Ave N Shift Values>> N :: 121.46(4.28) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 E 0.37 C Shift Assignments>> C :: 174.865 CA :: 55.030 CB :: 33.947 CG :: 37.009 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 :: 9.275 HA :: 5.088 HB2 :: 1.888 HB3 :: 1.888 HG2 :: 1.966 HG3 :: 1.966 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.671 Ave N Shift Values>> N :: 120.67(3.48) 1.R57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 R 0.32 K 0.27 C Shift Assignments>> C :: 175.855 CA :: 55.217 CB :: 33.369 CG :: 25.227 CD :: 43.820 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 :: 8.824 HA :: 4.625 HB2 :: 1.483 HB3 :: 1.775 HG2 :: 1.433 HG3 :: 1.327 HD2 :: 2.950 HD3 :: 3.291 HE :: 9.294 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.434 NE :: 84.978 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.42 K 0.06 Q 0.02 L 0.01 C Shift Assignments>> C :: 175.228 CA :: 57.839 CB :: 27.708 CG :: 36.981 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 :: 9.744 HA :: 3.874 HG2 :: 2.232 HG3 :: 2.232 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 129.278 Ave N Shift Values>> N :: 120.67(3.48) 1.E59 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> I 0.55 E 0.36 K 0.03 L 0.02 C Shift Assignments>> C :: 175.335 CA :: 58.149 CB :: 27.737 CG :: 37.417 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 :: 8.859 HA :: 3.780 HB2 :: 2.232 HB3 :: 2.340 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 :: 109.096(S) Ave N Shift Values>> N :: 120.67(3.48) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.85 Q 0.08 R 0.03 C Shift Assignments>> C :: 175.383 CA :: 54.914 CB :: 34.552 CG :: 24.630 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 :: 7.868 HA :: 4.672 HB2 :: 1.836 HB3 :: 1.836 HG2 :: 1.462 HG3 :: 1.506 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 :: 120.387 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 M 0.43 Q 0.01 HN Overlap>> 1.R63 1.R63 C Shift Assignments>> C :: 176.936 CA :: 55.352 CB :: 31.970 CG :: 37.033 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 :: 8.555 HA :: 5.274 HB2 :: 1.818 HB3 :: 1.983 HG2 :: 1.988 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 :: 122.597 Ave N Shift Values>> N :: 120.67(3.48) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.83 R 0.11 G 0.03 A 0.01 C Shift Assignments>> C :: 174.025 CA :: 55.073 CB :: 36.065 CG :: 24.240 CD :: 28.854 CE :: 42.166 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 :: 9.083 HA :: 4.670 HB2 :: 1.534 HB3 :: 1.534 HG2 :: 1.272 HG3 :: 1.359 HE2 :: 3.016 HE3 :: 3.016 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 :: 122.915 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.65 K 0.22 G 0.11 HN Overlap>> 1.E61 1.E61 C Shift Assignments>> C :: 175.919 CA :: 55.203 CB :: 32.122 CG :: 27.970 CD :: 43.413 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 :: 8.555 HA :: 5.250 HB2 :: 1.664 HB3 :: 1.819 HD2 :: 3.127 HD3 :: 3.127 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.526 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.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.I55 1.I55 C Shift Assignments>> C :: 173.859 CA :: 60.475 CB :: 35.653 CG1 :: 20.358 CG2 :: 21.538 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 :: 9.092 HA :: 4.530 HB :: 1.900 HG11 :: 0.834 HG12 :: 0.834 HG13 :: 0.834 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 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 :: 122.613 Ave N Shift Values>> N :: 121.14(4.54) 1.T65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.539 CA :: 62.280 CB :: 69.840 CG2 :: 21.855 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 :: 8.869 HA :: 5.154 HB :: 3.869 HG21 :: 1.095 HG22 :: 1.095 HG23 :: 1.095 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 :: 124.225 Ave N Shift Values>> N :: 115.42(4.75) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.12 R 0.01 C Shift Assignments>> C :: 174.736 CA :: 53.001 CB :: 45.461 CG :: 27.134 CD1 :: 25.023 CD2 :: 27.374 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 :: 9.025 HA :: 4.852 HB2 :: 1.210 HB3 :: 1.526 HD11 :: 0.739 HD12 :: 0.739 HD13 :: 0.739 HD21 :: 0.742 HD22 :: 0.742 HD23 :: 0.742 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.846 Ave N Shift Values>> N :: 121.86(3.9) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.222 CA :: 61.290 CB :: 69.352 CG2 :: 21.230 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 :: 8.278 HA :: 4.802 HB :: 3.919 HG21 :: 1.114 HG22 :: 1.114 HG23 :: 1.114 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.456 Ave N Shift Values>> N :: 115.42(4.75) 1.L68 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 K 0.17 G 0.06 C Shift Assignments>> C :: 177.375 CA :: 57.738 CB :: 43.012 CG :: 31.620(S) CD1 :: 24.512 CD2 :: 26.674 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 :: 8.774 HA :: 3.802 HB2 :: 1.129 HB3 :: 1.749 HG :: 1.269 HD11 :: 0.635 HD12 :: 0.635 HD13 :: 0.635 HD21 :: 0.574 HD22 :: 0.574 HD23 :: 0.574 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.416 Ave N Shift Values>> N :: 121.86(3.9) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.29 G 0.14 A 0.03 C Shift Assignments>> C :: 174.373 CA :: 54.341 CB :: 37.633 CG :: 24.468 CD :: 29.734 CE :: 42.519 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 :: 8.318 HA :: 4.574 HB2 :: 1.626 HB3 :: 1.626 HG2 :: 1.575 HG3 :: 1.575 HD2 :: 1.693 HD3 :: 1.693 HE2 :: 3.024 HE3 :: 3.024 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 :: 121.423 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.32 E 0.14 M 0.09 R 0.02 C Shift Assignments>> C :: 176.097 CA :: 56.045 CB :: 29.548 CG :: 34.145 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 :: 8.634 HA :: 4.628 HB2 :: 1.998 HB3 :: 1.998 HG2 :: 2.305 HG3 :: 2.478 HE22 :: 7.714 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 :: 122.931 NE2 :: 112.669 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.85 F 0.14 C Shift Assignments>> CA :: 57.116 CB :: 38.528 CD1 :: 131.929 CE1 :: 133.941 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 :: 8.453 HA :: 4.733 HB2 :: 3.145 HB3 :: 3.145 HD1 :: 7.214 HD2 :: 7.214 HE1 :: 7.005 HE2 :: 7.005 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 :: 125.811 Ave N Shift Values>> N :: 120.45(4.18) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.526 CA :: 64.905 CB :: 32.021 CG :: 27.466 CD :: 51.015 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 :: 4.223 HB2 :: 1.923 HB3 :: 2.319 HD2 :: 3.839 HD3 :: 4.156 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.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.2 N 0.16 F 0.1 Y 0.08 K 0.06 C Shift Assignments>> C :: 175.691 CA :: 54.119 CB :: 40.769 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 :: 8.662 HA :: 4.640 HB2 :: 2.770 HB3 :: 2.770 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 :: 113.423 Ave N Shift Values>> N :: 120.65(3.86) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 H 0.2 R 0.19 K 0.14 Q 0.09 E 0.08 C Shift Assignments>> CA :: 54.027 CB :: 31.547 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 :: 7.191 HA :: 4.772 HB2 :: 1.806 HB3 :: 1.993 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 :: 118.591 Ave N Shift Values>> N :: 120.67(3.48) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.968 CA :: 64.682 CB :: 32.048 CG :: 27.183 CD :: 50.123 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 :: 1.939 HB3 :: 2.284 HG2 :: 1.939 HG3 :: 1.939 HD2 :: 3.398 HD3 :: 3.710 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.D76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.2 N 0.16 F 0.11 Y 0.09 K 0.05 C Shift Assignments>> C :: 175.215 CA :: 54.357 CB :: 40.629 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 :: 8.456 HA :: 4.612 HB2 :: 2.692 HB3 :: 2.692 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 :: 115.696 Ave N Shift Values>> N :: 120.65(3.86) 1.R77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 K 0.26 G 0.18 C Shift Assignments>> C :: 173.278 CA :: 55.779 CB :: 33.878 CG :: 27.743 CD :: 43.467 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 :: 8.432 HA :: 4.628 HB2 :: 1.607 HB3 :: 1.798 HG3 :: 1.606 HD2 :: 2.817 HD3 :: 3.061 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.498 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.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 L 0.17 G 0.01 C Shift Assignments>> C :: 176.695 CA :: 49.741 CB :: 22.117 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.476 HA :: 5.136 HB1 :: 1.100 HB2 :: 1.100 HB3 :: 1.100 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.968 Ave N Shift Values>> N :: 123.23(3.54) 1.G79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> CA :: 46.137 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.310 HA2 :: 3.910 HA3 :: 4.208 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.820 Ave N Shift Values>> N :: 109.67(3.87) 1.I80 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G81 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V82 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H89 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H90 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H91 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 88 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 75 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 15 Shift Relative Order (SRO) Results: #Consistent: 91 #Suspicious: 0 C Shift Results: #Consistent: 305 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 489 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 72 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K17 HD3 = 2.434(S), Expected = 1.60, Std = 0.2200, ChiSquare = 1.5010e-04 1.E59 N = 109.096(S), Expected = 120.67, Std = 3.4800, ChiSquare = 8.8146e-04 1.L68 Typing: Suspicious 1.L68 CG = 31.620(S), Expected = 26.78, Std = 1.1000, ChiSquare = 1.0825e-05