Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 177.064 CA :: 63.100 CB :: 32.020 CG :: 27.110 CD :: 49.400 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 :: 4.450 HB2 :: 1.930 HB3 :: 2.300 HG2 :: 1.970 HG3 :: 2.000 HD2 :: 3.560 HD3 :: 3.560 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.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.28 R 0.03 G 0.01 A 0.01 C Shift Assignments>> C :: 177.946 CA :: 55.491 CB :: 42.309 CG :: 26.602 CD1 :: 25.190 CD2 :: 23.700 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 :: 8.570 HA :: 4.334 HB2 :: 1.591 HB3 :: 1.690 HG :: 1.628 HD11 :: 0.919 HD12 :: 0.919 HD13 :: 0.919 HD21 :: 0.875 HD22 :: 0.875 HD23 :: 0.875 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 :: 122.176 Ave N Shift Values>> N :: 121.86(3.9) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.200 CA :: 45.445 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.409 HA2 :: 3.970 HA3 :: 3.950 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.906 Ave N Shift Values>> N :: 109.67(3.87) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.128 CA :: 58.590 CB :: 64.110 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.294 HA :: 4.431 HB2 :: 3.855 HB3 :: 3.894 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 :: 115.693 Ave N Shift Values>> N :: 116.28(3.52) 1.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.146 CA :: 45.468 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.586 HA2 :: 3.958 HA3 :: 3.958 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.305 Ave N Shift Values>> N :: 109.67(3.87) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 175.924 CA :: 61.156 CB :: 38.808 CG1 :: 27.602 CG2 :: 17.318 CD1 :: 13.076 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 :: 7.946 HA :: 4.131 HB :: 1.792 HG12 :: 1.093 HG13 :: 1.380 HG21 :: 0.859 HG22 :: 0.859 HG23 :: 0.859 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 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 :: 119.714 Ave N Shift Values>> N :: 121.46(4.28) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.11 N 0.09 F 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 176.030 CA :: 54.318 CB :: 41.220 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 :: 8.415 HA :: 4.584 HB2 :: 2.582 HB3 :: 2.702 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 :: 123.838 Ave N Shift Values>> N :: 120.65(3.86) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.13 F 0.09 N 0.07 Y 0.07 C 0.05 R 0.02 C Shift Assignments>> C :: 176.004 CA :: 54.600 CB :: 41.316 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 :: 8.198 HA :: 4.523 HB2 :: 2.635 HB3 :: 2.635 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 :: 121.497 Ave N Shift Values>> N :: 120.65(3.86) 1.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.01 C Shift Assignments>> C :: 177.754 CA :: 52.426 CB :: 19.346 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.142 HA :: 4.279 HB1 :: 1.376 HB2 :: 1.376 HB3 :: 1.376 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.176 Ave N Shift Values>> N :: 123.23(3.54) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 M 0.16 K 0.07 I 0.01 C Shift Assignments>> C :: 176.269 CA :: 56.729 CB :: 30.534 CG :: 35.749 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 :: 8.262 HA :: 4.240 HB2 :: 2.018 HB3 :: 2.018 HG2 :: 2.220 HG3 :: 2.275 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.454 Ave N Shift Values>> N :: 120.67(3.48) 1.W12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.59 C 0.38 W 0.01 C Shift Assignments>> C :: 178.494 CA :: 55.502 CB :: 29.312 CD1 :: 131.830 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.733 HA :: 5.188 HB2 :: 2.904 HB3 :: 3.477 HD1 :: 7.510 HE1 :: 9.654 HE3 :: 7.660 HZ2 :: 7.210 HZ3 :: 7.150 HH2 :: 7.410 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 :: 124.345 NE1 :: 122.437 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> CA :: 64.400 CB :: 31.800 CG1 :: 20.220 CG2 :: 20.640 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 :: 9.290 HA :: 3.870 HB :: 2.130 HG11 :: 0.820 HG12 :: 0.820 HG13 :: 0.820 HG21 :: 0.760 HG22 :: 0.760 HG23 :: 0.760 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 :: 129.013 Ave N Shift Values>> N :: 121.14(4.54) 1.V14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.68 V 0.31 C Shift Assignments>> C :: 175.845 CA :: 61.700 CB :: 30.509 CG1 :: 22.695 CG2 :: 23.938 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 :: 3.051 HB :: -1.218(S) HG11 :: -0.195(S) HG12 :: -0.195(S) HG13 :: -0.195(S) HG21 :: 0.555 HG22 :: 0.555 HG23 :: 0.555 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.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 A 0.4 C 0.04 I 0.04 V 0.01 HN Overlap>> 1.R104 1.R104 C Shift Assignments>> C :: 179.770 CA :: 55.600 CB :: 18.800 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.198 HA :: 3.790 HB1 :: 1.700 HB2 :: 1.700 HB3 :: 1.700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.400 Ave N Shift Values>> N :: 123.23(3.54) 1.R16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.4 G 0.09 K 0.05 L 0.01 C Shift Assignments>> C :: 176.799 CA :: 58.600 CB :: 29.800 CG :: 26.500 CD :: 43.600 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.618 HA :: 3.990 HB2 :: 1.740 HB3 :: 1.800 HG2 :: 1.600 HG3 :: 1.600 HD2 :: 3.170 HD3 :: 3.170 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.827 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.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.23 D 0.17 K 0.08 F 0.05 C 0.04 G 0.03 Y 0.03 N 0.01 C Shift Assignments>> C :: 175.049 CA :: 54.300 CB :: 43.000 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.225 HA :: 4.720 HB2 :: 2.290 HB3 :: 2.290 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.220 Ave N Shift Values>> N :: 120.65(3.86) 1.K18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.78 K 0.1 R 0.1 HN Overlap>> 1.L49 1.L49 C Shift Assignments>> C :: 172.813 CA :: 61.440 CB :: 31.480 CG :: 26.380 CD :: 30.840 CE :: 41.470 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 :: 7.503 HA :: 4.028 HB2 :: 1.578 HB3 :: 2.168 HG2 :: 1.510 HG3 :: 1.790 HD2 :: 1.910 HD3 :: 1.910 HE2 :: 2.920 HE3 :: 3.730(S) 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 :: 120.820 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.36 C Shift Assignments>> C :: 179.451 CA :: 66.970 CB :: 30.840 CG :: 28.720 CD :: 49.970 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 :: 4.401 HB2 :: 1.782 HB3 :: 2.383 HG2 :: 1.984 HG3 :: 2.107 HD2 :: 3.340 HD3 :: 3.760 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.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 M 0.45 C Shift Assignments>> C :: 178.762 CA :: 58.529 CB :: 31.803 CG :: 32.177 CE :: 16.820 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 :: 7.304 HA :: 4.251 HB2 :: 2.459 HB3 :: 2.459 HG2 :: 1.954 HG3 :: 1.954 HE1 :: 1.989 HE2 :: 1.989 HE3 :: 1.989 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 115.065 Ave N Shift Values>> N :: 120.09(3.57) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 C 0.27 Y 0.12 M 0.07 I 0.06 F 0.06 K 0.04 V 0.01 C Shift Assignments>> C :: 179.119 CA :: 58.045 CB :: 36.265 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 :: 7.216 HA :: 4.779 HB2 :: 3.176 HB3 :: 3.263 HD1 :: 6.765 HD2 :: 6.765 HE1 :: 6.765 HE2 :: 6.765 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 :: 122.087 Ave N Shift Values>> N :: 120.52(4.2) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 D 0.14 C 0.12 L 0.11 N 0.05 I 0.04 K 0.01 C Shift Assignments>> C :: 177.542 CA :: 56.764 CB :: 39.916 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 :: 9.616 HA :: 4.510 HB2 :: 2.779 HB3 :: 2.909 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.518 Ave N Shift Values>> N :: 120.65(3.86) 1.E23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.36 I 0.15 K 0.05 M 0.02 C Shift Assignments>> C :: 179.319 CA :: 59.515 CB :: 29.823 CG :: 36.374 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 :: 7.352 HA :: 4.134 HB2 :: 2.217 HB3 :: 2.226 HG2 :: 2.353 HG3 :: 2.557 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 :: 116.344 Ave N Shift Values>> N :: 120.67(3.48) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 179.263 CA :: 63.768 CB :: 38.951 CG1 :: 28.000 CG2 :: 18.094 CD1 :: 12.784 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 :: 7.237 HA :: 3.910 HB :: 2.405 HG12 :: 1.330 HG13 :: 1.953 HG21 :: 1.111 HG22 :: 1.111 HG23 :: 1.111 HD11 :: 1.058 HD12 :: 1.058 HD13 :: 1.058 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 :: 117.017 Ave N Shift Values>> N :: 121.46(4.28) 1.F25 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.14 F 0.13 Y 0.13 HN Overlap>> 1.L94 1.L94 C Shift Assignments>> C :: 176.640 CA :: 62.764 CB :: 39.662 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 :: 9.119 HA :: 3.070 HB2 :: 3.140 HB3 :: 3.210 HE1 :: 6.832 HE2 :: 6.832 HZ :: 7.240 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 :: 125.495 Ave N Shift Values>> N :: 120.45(4.18) SRO Rule Breaks>> (HA > HB2 : 0.9952) (HA > HB3 : 0.9955) 1.Y26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 C 0.24 Y 0.13 F 0.09 E 0.03 V 0.01 HN Overlap>> 1.H97 1.H97 C Shift Assignments>> C :: 177.303 CA :: 61.636 CB :: 37.383 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 :: 7.972 HA :: 3.982 HB2 :: 2.906 HB3 :: 3.385 HD1 :: 7.402 HD2 :: 7.402 HE1 :: 6.872 HE2 :: 6.872 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 :: 110.800 Ave N Shift Values>> N :: 120.52(4.2) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 175.444 CA :: 62.989 CB :: 69.941 CG2 :: 21.497 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 :: 8.099 HA :: 4.623 HB :: 4.489 HG21 :: 1.465 HG22 :: 1.465 HG23 :: 1.465 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 110.700 Ave N Shift Values>> N :: 115.42(4.75) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 L 0.35 A 0.26 C Shift Assignments>> C :: 173.908 CA :: 54.222 CB :: 40.032 CG :: 25.803 CD1 :: 27.062 CD2 :: 22.073 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 :: 7.362 HA :: 4.454 HB2 :: 1.295 HB3 :: 1.517 HG :: 1.626 HD11 :: 0.494 HD12 :: 0.494 HD13 :: 0.494 HD21 :: 0.683 HD22 :: 0.683 HD23 :: 0.683 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 :: 123.579 Ave N Shift Values>> N :: 121.86(3.9) 1.S29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 S 0.33 C Shift Assignments>> C :: 174.001 CA :: 61.528 CB :: 57.549(S) Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.851 HA :: 3.940 HB2 :: 3.926 HB3 :: 3.926 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 :: 109.687 Ave N Shift Values>> N :: 116.28(3.52) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 177.356 CA :: 62.985 CB :: 31.270 CG :: 27.670 CD :: 50.400 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 :: 4.186 HB2 :: 1.210 HB3 :: 1.554 HG2 :: 1.298 HG3 :: 1.896 HD2 :: 3.125 HD3 :: 3.450 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.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 176.667 CA :: 61.924 CB :: 34.428 CG1 :: 20.811 CG2 :: 21.200 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 :: 8.759 HA :: 4.143 HB :: 1.893 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 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 :: 122.376 Ave N Shift Values>> N :: 121.14(4.54) 1.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.18 Y 0.17 N 0.14 L 0.13 C 0.1 I 0.01 K 0.01 C Shift Assignments>> C :: 176.189 CA :: 55.497 CB :: 39.869 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 :: 9.523 HA :: 4.311 HB2 :: 2.638 HB3 :: 3.002 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 :: 129.106 Ave N Shift Values>> N :: 120.65(3.86) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 174.200 CA :: 45.522 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.763 HA2 :: 3.740 HA3 :: 4.231 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.596 Ave N Shift Values>> N :: 109.67(3.87) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 R 0.31 K 0.09 G 0.02 C Shift Assignments>> C :: 175.790 CA :: 55.346 CB :: 37.805 CG :: 25.177 CD :: 29.698 CE :: 42.266 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 :: 7.553 HA :: 5.324 HB2 :: 1.660 HB3 :: 1.672 HG2 :: 1.390 HG3 :: 1.419 HD2 :: 1.817 HD3 :: 1.817 HE2 :: 3.079 HE3 :: 3.112 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.882 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 I 0.06 A 0.02 C Shift Assignments>> C :: 176.083 CA :: 58.676 CB :: 41.001 CG1 :: 25.105 CG2 :: 15.533 CD1 :: 17.100 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 :: 9.131 HA :: 4.896 HB :: 1.738 HG12 :: 1.427 HG13 :: 1.427 HG21 :: 0.400 HG22 :: 0.400 HG23 :: 0.400 HD11 :: -0.068 HD12 :: -0.068 HD13 :: -0.068 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 :: 115.776 Ave N Shift Values>> N :: 121.46(4.28) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 175.712 CA :: 60.938 CB :: 70.673 CG2 :: 22.595 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 :: 8.465 HA :: 4.403 HB :: 4.701 HG21 :: 1.380 HG22 :: 1.380 HG23 :: 1.380 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 :: 111.460 Ave N Shift Values>> N :: 115.42(4.75) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.57 A 0.15 G 0.11 N 0.06 C 0.05 D 0.01 C Shift Assignments>> C :: 176.136 CA :: 48.589 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.802 HA2 :: 3.724 HA3 :: 3.859 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.902 Ave N Shift Values>> N :: 109.67(3.87) 1.A38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.45 C 0.02 I 0.02 C Shift Assignments>> C :: 180.671 CA :: 54.826 CB :: 18.352 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.411 HA :: 3.949 HB1 :: 1.314 HB2 :: 1.314 HB3 :: 1.314 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.467 Ave N Shift Values>> N :: 123.23(3.54) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 N 0.19 Y 0.16 E 0.15 F 0.11 M 0.05 D 0.04 I 0.02 L 0.01 K 0.01 C Shift Assignments>> C :: 177.595 CA :: 55.463 CB :: 37.414 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 :: 7.713 HA :: 4.611 HB2 :: 2.457 HB3 :: 2.859 HD21 :: 8.040 HD22 :: 7.082 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.819 ND2 :: 114.283 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.42 M 0.36 C 0.08 I 0.04 V 0.04 L 0.03 T 0.01 C Shift Assignments>> C :: 179.876 CA :: 55.913 CB :: 19.480 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.813 HA :: 4.057 HB1 :: 1.777 HB2 :: 1.777 HB3 :: 1.777 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.036 Ave N Shift Values>> N :: 123.23(3.54) 1.K41 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.65 K 0.25 R 0.09 C Shift Assignments>> C :: 178.284 CA :: 60.427 CB :: 32.357 CG :: 26.743 CD :: 29.485 CE :: 41.344 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 :: 8.855 HA :: 3.946 HB2 :: 1.694 HB3 :: 1.785 HG2 :: 1.240 HG3 :: 1.280 HD2 :: 1.146 HD3 :: 1.290 HE2 :: 1.748(S) HE3 :: 2.010(S) HZ1 :: 8.402(U) HZ2 :: 8.402(U) HZ3 :: 8.402(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.385 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE2 > HB3 : 0.9957) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 K 0.21 R 0.14 G 0.08 C Shift Assignments>> C :: 178.338 CA :: 59.579 CB :: 32.327 CG :: 24.900 CD :: 29.800 CE :: 43.400 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 :: 7.447 HA :: 3.998 HB2 :: 1.977 HB3 :: 1.977 HG2 :: 1.460 HG3 :: 1.580 HD2 :: 1.810 HD3 :: 1.810 HE2 :: 3.161 HE3 :: 3.161 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 :: 118.394 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.34 K 0.16 I 0.06 M 0.03 C Shift Assignments>> C :: 179.504 CA :: 57.780 CB :: 29.309 CG :: 35.713 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 :: 7.199 HA :: 4.361 HB2 :: 2.220 HB3 :: 2.220 HG2 :: 2.331 HG3 :: 2.465 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 :: 117.511 Ave N Shift Values>> N :: 120.67(3.48) 1.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 M 0.37 I 0.01 HN Overlap>> 1.L76 1.L76 C Shift Assignments>> C :: 178.709 CA :: 59.767 CB :: 34.311 CG :: 31.900 CE :: 17.240 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 :: 8.386 HA :: 4.007 HB2 :: 2.201 HB3 :: 2.201 HG2 :: 2.324 HG3 :: 2.951 HE1 :: 2.100 HE2 :: 2.100 HE3 :: 2.100 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 :: 118.933 Ave N Shift Values>> N :: 120.09(3.57) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 178.497 CA :: 64.910 CB :: 31.782 CG1 :: 21.800 CG2 :: 20.800 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 :: 8.303 HA :: 3.905 HB :: 2.290 HG11 :: 1.069 HG12 :: 1.069 HG13 :: 1.069 HG21 :: 1.009 HG22 :: 1.009 HG23 :: 1.009 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.700 Ave N Shift Values>> N :: 121.14(4.54) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.38 G 0.09 K 0.04 C Shift Assignments>> C :: 176.958 CA :: 58.681 CB :: 29.895 CG :: 28.290 CD :: 43.596 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.520 HA :: 4.121 HB2 :: 1.990 HB3 :: 1.990 HG2 :: 1.715 HG3 :: 1.965 HD2 :: 3.321 HD3 :: 3.321 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.259 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.S47 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 :: 174.651 CA :: 60.852 CB :: 65.667 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.594 HA :: 4.080 HB2 :: 3.850 HB3 :: 4.200 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 :: 112.809 Ave N Shift Values>> N :: 116.28(3.52) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.29 R 0.16 G 0.01 C Shift Assignments>> C :: 175.953 CA :: 58.138 CB :: 29.344 CG :: 24.883 CD :: 29.493 CE :: 42.210 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 :: 7.866 HA :: 3.938 HB2 :: 2.049 HB3 :: 2.214 HG2 :: 1.365 HG3 :: 1.461 HD2 :: 1.652 HD3 :: 1.736 HE2 :: 3.028 HE3 :: 3.028 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 :: 112.744 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.23 R 0.09 A 0.02 HN Overlap>> 1.K18 1.K18 C Shift Assignments>> C :: 173.610 CA :: 53.587 CB :: 41.762 CG :: 27.600 CD1 :: 26.500 CD2 :: 23.900 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 :: 7.506 HA :: 4.484 HB2 :: 1.096 HB3 :: 1.570 HG :: 1.590 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.765 Ave N Shift Values>> N :: 121.86(3.9) 1.P50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> CA :: 62.480 CB :: 32.750 CG :: 27.700 CD :: 50.400 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 :: 4.512 HB2 :: 1.917 HB3 :: 2.535 HG2 :: 2.090 HG3 :: 2.150 HD2 :: 3.350 HD3 :: 3.980 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.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.25 C 0.21 F 0.19 E 0.11 I 0.07 N 0.05 D 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 57.000 CB :: 37.900 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 :: 4.310 HB2 :: 2.770 HB3 :: 2.840 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) 1.S52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 177.197 CA :: 60.500 CB :: 61.000 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.180 HB2 :: 4.000 HB3 :: 4.000 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.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.85 C 0.14 C Shift Assignments>> C :: 177.754 CA :: 65.481 CB :: 31.863 CG1 :: 22.691 CG2 :: 22.699 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 6.977 HA :: 3.755 HB :: 2.180 HG11 :: 1.001 HG12 :: 1.001 HG13 :: 1.001 HG21 :: 1.114 HG22 :: 1.114 HG23 :: 1.114 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 :: 124.596 Ave N Shift Values>> N :: 121.14(4.54) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.46 R 0.01 C Shift Assignments>> C :: 179.904 CA :: 58.030 CB :: 40.994 CG :: 26.660 CD1 :: 26.435 CD2 :: 23.294 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 :: 8.136 HA :: 3.935 HB2 :: 1.401 HB3 :: 1.906 HG :: 1.582 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 HD21 :: 0.774 HD22 :: 0.774 HD23 :: 0.774 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.372 Ave N Shift Values>> N :: 121.86(3.9) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 176.348 CA :: 47.208 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.584 HA2 :: 3.982 HA3 :: 3.982 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.289 Ave N Shift Values>> N :: 109.67(3.87) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.41 R 0.12 C Shift Assignments>> C :: 178.709 CA :: 59.258 CB :: 32.398 CG :: 25.300 CD :: 29.504 CE :: 42.195 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 :: 7.332 HA :: 4.156 HB2 :: 2.008 HB3 :: 2.008 HG2 :: 1.442 HG3 :: 1.590 HD2 :: 1.714 HD3 :: 1.714 HE2 :: 2.956 HE3 :: 2.956 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.000 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 C Shift Assignments>> C :: 176.578 CA :: 66.702 CB :: 37.912 CG1 :: 31.270 CG2 :: 17.260 CD1 :: 14.270 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 :: 8.159 HA :: 3.459 HB :: 1.881 HG12 :: 0.764 HG13 :: 1.911 HG21 :: 0.911 HG22 :: 0.911 HG23 :: 0.911 HD11 :: 0.670 HD12 :: 0.670 HD13 :: 0.670 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 :: 119.534 Ave N Shift Values>> N :: 121.46(4.28) 1.W58 Overall: Anomalous Typing: Suspicious SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.83 H 0.16 HN Overlap>> 1.L69 1.L69 C Shift Assignments>> C :: 175.712 CA :: 61.135 CB :: 28.731 CD1 :: 133.490(A) CE3 :: 125.205 CZ2 :: 119.679(S) CZ3 :: 126.863(S) CH2 :: 129.625(S) Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.512 HA :: 3.827 HB2 :: 3.362 HB3 :: 3.382 HE1 :: 10.256 HE3 :: 7.315 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.000 NE1 :: 129.648 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.41 R 0.12 C Shift Assignments>> C :: 179.478 CA :: 59.135 CB :: 32.457 CG :: 25.500 CD :: 29.470 CE :: 42.050 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 :: 7.433 HA :: 3.873 HB2 :: 1.976 HB3 :: 1.976 HG2 :: 1.540 HG3 :: 1.657 HD2 :: 1.743 HD3 :: 1.743 HE2 :: 3.034 HE3 :: 3.034 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 114.595 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.31 R 0.14 G 0.1 A 0.01 C Shift Assignments>> C :: 176.958 CA :: 56.784 CB :: 43.629 CG :: 27.036 CD1 :: 26.077 CD2 :: 22.466 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 :: 7.658 HA :: 3.957 HB2 :: 1.078 HB3 :: 1.940 HG :: 1.829 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 HD21 :: 0.644 HD22 :: 0.644 HD23 :: 0.644 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 :: 117.530 Ave N Shift Values>> N :: 121.86(3.9) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 C 0.02 L 0.01 C Shift Assignments>> C :: 176.826 CA :: 53.659 CB :: 19.258 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.984 HA :: 4.146 HB1 :: 1.149 HB2 :: 1.149 HB3 :: 1.149 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 117.596 Ave N Shift Values>> N :: 123.23(3.54) 1.D62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.58 C 0.19 M 0.06 E 0.04 Y 0.03 F 0.02 D 0.02 C Shift Assignments>> C :: 178.497 CA :: 51.838 CB :: 36.775 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.369 HA :: 4.533 HB2 :: 1.164(S) HB3 :: 2.229 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 :: 112.746 Ave N Shift Values>> N :: 120.65(3.86) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 177.940 CA :: 64.268 CB :: 39.207 CG1 :: 28.721 CG2 :: 17.344 CD1 :: 14.806 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 :: 8.361 HA :: 3.458 HB :: 1.635 HG12 :: 1.191 HG13 :: 1.777 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 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 :: 128.792 Ave N Shift Values>> N :: 121.46(4.28) 1.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.25 L 0.07 C 0.07 F 0.06 Y 0.06 C Shift Assignments>> C :: 175.791 CA :: 52.918 CB :: 39.502 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.874 HA :: 4.508 HB2 :: 2.427 HB3 :: 3.086 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 :: 113.604 Ave N Shift Values>> N :: 120.65(3.86) 1.K65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.27 R 0.18 G 0.01 C Shift Assignments>> C :: 175.632 CA :: 57.977 CB :: 29.334 CG :: 24.883 CD :: 29.548 CE :: 42.300 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 :: 7.495 HA :: 3.831 HB2 :: 1.935 HB3 :: 2.018 HG2 :: 1.385 HG3 :: 1.385 HD2 :: 1.750 HD3 :: 1.750 HE2 :: 3.041 HE3 :: 3.041 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 :: 113.812 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.21 L 0.17 F 0.08 Y 0.06 C 0.05 K 0.04 C Shift Assignments>> C :: 178.360 CA :: 53.500 CB :: 40.675 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 :: 5.620 HB2 :: 2.621 HB3 :: 3.274 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.457 Ave N Shift Values>> N :: 120.65(3.86) 1.G67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 172.848 CA :: 46.194 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 10.547(S) HA2 :: 3.868 HA3 :: 4.286 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.567 Ave N Shift Values>> N :: 109.67(3.87) 1.M68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 C 0.26 M 0.19 C Shift Assignments>> C :: 175.234 CA :: 53.717 CB :: 36.848 CG :: 32.972 CE :: 17.880 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 :: 8.238 HA :: 5.044 HB2 :: 1.927 HB3 :: 2.155 HG2 :: 2.422 HG3 :: 2.422 HE1 :: 1.961 HE2 :: 1.961 HE3 :: 1.961 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.056 Ave N Shift Values>> N :: 120.09(3.57) 1.L69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.27 G 0.2 C 0.18 R 0.17 L 0.16 HN Overlap>> 1.W58 1.W58 C Shift Assignments>> C :: 177.162 CA :: 53.295 CB :: 43.809 CG :: 26.590 CD1 :: 27.700 CD2 :: 21.710 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 :: 8.534 HA :: 5.903(S) HB2 :: 1.693 HB3 :: 1.811 HG :: 1.601 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.143 HD22 :: 0.143 HD23 :: 0.143 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.071 Ave N Shift Values>> N :: 121.86(3.9) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.29 L 0.15 F 0.05 C 0.05 Y 0.04 K 0.02 C Shift Assignments>> C :: 175.314 CA :: 52.427 CB :: 40.653 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 :: 9.057 HA :: 5.608 HB2 :: 2.624 HB3 :: 3.290 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.208 Ave N Shift Values>> N :: 120.65(3.86) 1.D71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.27 F 0.21 C 0.21 I 0.09 E 0.08 N 0.03 D 0.03 M 0.02 L 0.01 C Shift Assignments>> C :: 179.080 CA :: 57.377 CB :: 38.067 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 :: 8.492 HA :: 2.971(S) HB2 :: 1.482(S) HB3 :: 2.017 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 :: 114.899 Ave N Shift Values>> N :: 120.65(3.86) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.19 K 0.16 L 0.13 C 0.1 D 0.08 I 0.05 R 0.01 C Shift Assignments>> C :: 178.497 CA :: 57.887 CB :: 41.132 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.832 HA :: 4.674 HB2 :: 2.170 HB3 :: 2.716 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 :: 124.839 Ave N Shift Values>> N :: 120.65(3.86) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 E 0.2 M 0.05 I 0.05 C Shift Assignments>> C :: 179.239 CA :: 59.804 CB :: 31.871 CG :: 37.500 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 :: 8.890 HA :: 3.960 HB2 :: 2.210 HB3 :: 2.452 HG2 :: 2.380 HG3 :: 2.890 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 :: 121.578 Ave N Shift Values>> N :: 120.67(3.48) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.39 F 0.22 Y 0.21 C 0.15 C Shift Assignments>> C :: 178.205 CA :: 61.221 CB :: 39.866 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 :: 9.409 HA :: 4.221 HB2 :: 3.047 HB3 :: 3.217 HD1 :: 7.632 HD2 :: 7.632 HE1 :: 7.444 HE2 :: 7.444 HZ :: 7.270 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.580 Ave N Shift Values>> N :: 120.45(4.18) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.32 I 0.04 C 0.02 C Shift Assignments>> C :: 178.284 CA :: 55.442 CB :: 18.001 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.252 HA :: 3.823 HB1 :: 1.833 HB2 :: 1.833 HB3 :: 1.833 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.206 Ave N Shift Values>> N :: 123.23(3.54) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.28 L 0.2 K 0.02 G 0.01 HN Overlap>> 1.M44 1.M44 C Shift Assignments>> C :: 177.621 CA :: 58.033 CB :: 42.394 CG :: 27.663 CD1 :: 27.800 CD2 :: 23.500 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 :: 8.434 HA :: 4.075 HB2 :: 1.809 HB3 :: 2.433 HG :: 1.585 HD11 :: 1.210 HD12 :: 1.210 HD13 :: 1.210 HD21 :: 1.210 HD22 :: 1.210 HD23 :: 1.210 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 :: 118.874 Ave N Shift Values>> N :: 121.86(3.9) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.74 A 0.18 I 0.05 C 0.01 C Shift Assignments>> C :: 178.576 CA :: 55.531 CB :: 16.793 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.674 HA :: 3.626 HB1 :: 1.169 HB2 :: 1.169 HB3 :: 1.169 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.686 Ave N Shift Values>> N :: 123.23(3.54) 1.N78 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.24 C 0.21 F 0.18 E 0.12 N 0.07 I 0.06 D 0.03 M 0.03 L 0.01 C Shift Assignments>> C :: 177.038 CA :: 56.782 CB :: 37.803 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 :: 7.273 HA :: 3.778 HB2 :: 1.242(S) HB3 :: 1.338(S) HD21 :: 5.810 HD22 :: 5.810 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 :: 113.456 ND2 :: 107.800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 W 0.3 H 0.17 C Shift Assignments>> C :: 176.375 CA :: 60.506 CB :: 31.746 CD2 :: 122.766 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 :: 8.372 HA :: 4.141 HB2 :: 3.054 HB3 :: 3.297 HD2 :: 6.286 HE1 :: 7.540 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 :: 122.903 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 R 0.22 L 0.18 A 0.03 C Shift Assignments>> C :: 178.338 CA :: 57.459 CB :: 41.895 CG :: 27.043 CD1 :: 27.659 CD2 :: 21.400 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 :: 8.315 HA :: 3.825 HB2 :: 1.113 HB3 :: 2.059 HG :: 1.996 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 HD21 :: 0.735 HD22 :: 0.735 HD23 :: 0.735 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 :: 117.100 Ave N Shift Values>> N :: 121.86(3.9) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.81 C 0.18 C Shift Assignments>> C :: 176.587 CA :: 66.134 CB :: 38.141 CG1 :: 30.776 CG2 :: 17.097 CD1 :: 13.478 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 :: 7.777 HA :: 3.296 HB :: 1.914 HG12 :: 0.740 HG13 :: 1.936 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 HD11 :: 0.760 HD12 :: 0.760 HD13 :: 0.760 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 :: 119.156 Ave N Shift Values>> N :: 121.46(4.28) 1.K82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.39 R 0.07 G 0.01 C Shift Assignments>> C :: 179.133 CA :: 60.309 CB :: 31.812 CG :: 24.512 CD :: 29.519 CE :: 42.358 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 :: 7.575 HA :: 3.820 HB2 :: 1.849 HB3 :: 2.000 HG2 :: 1.172 HG3 :: 1.478 HD2 :: 1.665 HD3 :: 1.667 HE2 :: 2.930 HE3 :: 2.995 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 :: 120.345 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V83 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>> C :: 178.417 CA :: 65.628 CB :: 31.658 CG1 :: 21.700 CG2 :: 21.070 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 :: 8.171 HA :: 3.727 HB :: 2.043 HG11 :: 0.673 HG12 :: 0.673 HG13 :: 0.673 HG21 :: 0.704 HG22 :: 0.704 HG23 :: 0.704 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.767 Ave N Shift Values>> N :: 121.14(4.54) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.48 C Shift Assignments>> C :: 181.849 CA :: 57.208 CB :: 31.500 CG :: 25.176 CD :: 28.100 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 :: 7.869 HA :: 4.556 HB2 :: 1.750 HB3 :: 2.130 HG2 :: 1.295 HG3 :: 1.504 HD2 :: 1.700 HD3 :: 2.030 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 :: 121.130 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.44 R 0.08 C Shift Assignments>> C :: 179.558 CA :: 58.009 CB :: 41.738 CG :: 27.052 CD1 :: 26.380 CD2 :: 22.700 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 :: 8.969 HA :: 4.073 HB2 :: 1.447 HB3 :: 2.084 HG :: 1.856 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 123.329 Ave N Shift Values>> N :: 121.86(3.9) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.4 I 0.06 M 0.05 K 0.04 C Shift Assignments>> C :: 176.587 CA :: 56.800 CB :: 29.951 CG :: 36.980 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 :: 7.822 HA :: 4.144 HB2 :: 2.172 HB3 :: 2.234 HG2 :: 2.235 HG3 :: 2.539 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 :: 117.741 Ave N Shift Values>> N :: 120.67(3.48) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 174.412 CA :: 44.950 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.865 HA2 :: 3.640 HA3 :: 4.163 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.826 Ave N Shift Values>> N :: 109.67(3.87) 1.H88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.4 C 0.35 H 0.23 C Shift Assignments>> C :: 174.837 CA :: 55.281 CB :: 31.067 CD2 :: 125.760 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.718 HA :: 4.675 HB2 :: 2.830 HB3 :: 3.020 HD2 :: 7.140 HE1 :: 7.770 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.225 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.33 M 0.17 K 0.06 C Shift Assignments>> C :: 176.640 CA :: 55.285 CB :: 30.489 CG :: 35.947 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 :: 8.485 HA :: 4.302 HB2 :: 1.850 HB3 :: 1.956 HG2 :: 2.279 HG3 :: 2.388 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 :: 119.708 Ave N Shift Values>> N :: 120.67(3.48) 1.L90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.28 A 0.09 K 0.08 G 0.02 C Shift Assignments>> C :: 174.880 CA :: 51.849 CB :: 41.733 CD1 :: 23.620 CD2 :: 26.809 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 :: 8.685 HA :: 4.459 HB2 :: 1.174 HB3 :: 1.658 HD11 :: 0.820 HD12 :: 0.820 HD13 :: 0.820 HD21 :: 0.878 HD22 :: 0.878 HD23 :: 0.878 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 :: 123.271 Ave N Shift Values>> N :: 121.86(3.9) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.47 C Shift Assignments>> C :: 174.996 CA :: 61.700 CB :: 31.700 CG :: 26.600 CD :: 49.300 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 :: 4.600 HB2 :: 2.310 HB3 :: 2.310 HG2 :: 1.806 HG3 :: 1.958 HD2 :: 3.330 HD3 :: 3.780 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.N92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.26 D 0.18 Y 0.16 F 0.15 C 0.12 L 0.07 I 0.01 C Shift Assignments>> C :: 175.102 CA :: 54.980 CB :: 39.017 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 :: 8.573 HA :: 4.448 HB2 :: 2.762 HB3 :: 2.797 HD21 :: 7.729 HD22 :: 7.034 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.102 ND2 :: 114.247 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 C 0.4 E 0.18 C Shift Assignments>> C :: 175.221 CA :: 54.105 CB :: 32.532 CG :: 35.790 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 :: 7.489 HA :: 4.340 HB2 :: 1.756 HB3 :: 1.927 HG2 :: 2.109 HG3 :: 2.109 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 :: 115.434 Ave N Shift Values>> N :: 120.67(3.48) 1.L94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 C 0.21 R 0.06 G 0.02 HN Overlap>> 1.F25 1.F25 C Shift Assignments>> C :: 174.786 CA :: 53.625 CB :: 42.354 CG :: 26.380 CD1 :: 26.300 CD2 :: 25.530 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 :: 9.094 HA :: 4.133 HB2 :: 1.506 HB3 :: 1.616 HG :: 1.725 HD11 :: 0.950 HD12 :: 0.950 HD13 :: 0.950 HD21 :: 0.840 HD22 :: 0.840 HD23 :: 0.840 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.450 Ave N Shift Values>> N :: 121.86(3.9) 1.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> C :: 177.542 CA :: 62.100 CB :: 32.540 CG :: 27.230 CD :: 50.800 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 :: 4.600 HB2 :: 1.850 HB3 :: 2.430 HG2 :: 1.605 HG3 :: 2.110 HD2 :: 3.470 HD3 :: 4.070 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.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.36 I 0.05 C 0.03 C Shift Assignments>> C :: 180.008 CA :: 55.591 CB :: 18.500 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.740 HA :: 3.980 HB1 :: 1.510 HB2 :: 1.510 HB3 :: 1.510 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.820 Ave N Shift Values>> N :: 123.23(3.54) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.39 C 0.36 H 0.23 HN Overlap>> 1.Y26 1.Y26 C Shift Assignments>> C :: 176.348 CA :: 58.000 CB :: 29.250 CD2 :: 124.650 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.953 HA :: 4.560 HB2 :: 3.060 HB3 :: 3.400 HD2 :: 6.940 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 :: 110.700 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.21 G 0.05 R 0.05 A 0.02 C Shift Assignments>> C :: 177.303 CA :: 54.400 CB :: 43.088 CG :: 27.020 CD1 :: 25.100 CD2 :: 23.400 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 :: 7.482 HA :: 4.560 HB2 :: 1.490 HB3 :: 1.690 HG :: 1.060 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 HD21 :: 0.687 HD22 :: 0.687 HD23 :: 0.687 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.173 Ave N Shift Values>> N :: 121.86(3.9) 1.L99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 C 0.18 R 0.04 G 0.01 C Shift Assignments>> C :: 174.200 CA :: 53.300 CB :: 42.300 CG :: 27.050 CD1 :: 25.500 CD2 :: 24.900 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 :: 7.325 HA :: 4.175 HB2 :: 1.230 HB3 :: 1.650 HG :: 1.510 HD11 :: 0.910 HD12 :: 0.910 HD13 :: 0.910 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 :: 122.939 Ave N Shift Values>> N :: 121.86(3.9) 1.P100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.86 P 0.13 C Shift Assignments>> CA :: 59.900 CB :: 30.200 CG :: 27.400 CD :: 50.200 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 :: 2.330(S) HB2 :: 1.140 HB3 :: 1.240 HG2 :: 1.590 HG3 :: 1.840 HD2 :: 3.180 HD3 :: 3.990 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.P101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 178.072 CA :: 65.786 CB :: 31.828 CG :: 27.591 CD :: 49.811 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.629 HB2 :: 1.816 HB3 :: 2.246 HG2 :: 1.699 HG3 :: 2.109 HD2 :: 2.565 HD3 :: 2.858 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.S102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.403 CA :: 59.980 CB :: 62.443 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.197 HA :: 4.083 HB2 :: 3.890 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 :: 110.994 Ave N Shift Values>> N :: 116.28(3.52) 1.K103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 C 0.28 R 0.17 C Shift Assignments>> C :: 175.881 CA :: 54.091 CB :: 32.681 CG :: 25.180 CD :: 28.290 CE :: 41.973 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 :: 7.888 HA :: 4.512 HB2 :: 1.473 HB3 :: 2.098 HG2 :: 1.204 HG3 :: 1.204 HD2 :: 1.407 HD3 :: 1.580 HE2 :: 2.742 HE3 :: 2.974 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 :: 119.262 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.4 G 0.1 K 0.03 HN Overlap>> 1.A15 1.A15 C Shift Assignments>> C :: 175.927 CA :: 56.756 CB :: 30.896 CG :: 27.200 CD :: 43.700 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.168 HA :: 4.127 HB2 :: 1.655 HB3 :: 1.823 HG2 :: 1.510 HG3 :: 1.510 HD2 :: 2.959 HD3 :: 3.198 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.450 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.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.39 R 0.11 G 0.01 C Shift Assignments>> C :: 176.375 CA :: 56.119 CB :: 33.082 CG :: 24.500 CD :: 29.200 CE :: 42.256 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 :: 8.225 HA :: 4.325 HB2 :: 1.672 HB3 :: 1.672 HG2 :: 1.356 HG3 :: 1.356 HD2 :: 1.620 HD3 :: 1.620 HE2 :: 2.961 HE3 :: 2.961 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 :: 121.816 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.579 CA :: 62.318 CB :: 32.986 CG1 :: 20.430 CG2 :: 20.430 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 :: 8.176 HA :: 4.047 HB :: 2.022 HG11 :: 0.899 HG12 :: 0.899 HG13 :: 0.899 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 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 :: 122.114 Ave N Shift Values>> N :: 121.14(4.54) 1.A107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.08 C 0.01 C Shift Assignments>> C :: 176.454 CA :: 52.374 CB :: 19.313 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.321 HA :: 4.330 HB1 :: 1.367 HB2 :: 1.367 HB3 :: 1.367 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.409 Ave N Shift Values>> N :: 123.23(3.54) 1.E108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.38 M 0.14 I 0.02 K 0.01 C Shift Assignments>> C :: 181.132 CA :: 57.993 CB :: 31.186 CG :: 36.370 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 :: 7.932 HA :: 4.074 HB2 :: 1.878 HB3 :: 2.010 HG2 :: 2.180 HG3 :: 2.180 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 :: 125.959 Ave N Shift Values>> N :: 120.67(3.48) 2.CA1 Overall Status: Residue type CA not supported. ########################################################################### Overall Results: #Consistent: 96 #Clerical: 0 #Suspicious: 11 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 106 #Suspicious: 2 C Shift Results: #Consistent: 457 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 1 H Shift Results: #Consistent: 755 #Duplicate: 0 #Unknown: 3 #Suspicious: 15 #Anomalous: 0 N Shift Results: #Consistent: 101 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.V14 HB = -1.218(S), Expected = 1.98, Std = 0.3200, ChiSquare = 1.6232e-23 1.V14 HG11 = -0.195(S), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0701e-05 1.V14 HG12 = -0.195(S), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0701e-05 1.V14 HG13 = -0.195(S), Expected = 0.83, Std = 0.2600, ChiSquare = 8.0701e-05 1.K18 HE3 = 3.730(S), Expected = 2.91, Std = 0.2000, ChiSquare = 4.1315e-05 1.F25 SRO Rule Break>> HA > HB2 : 0.995201919232307 1.F25 SRO Rule Break>> HA > HB3 : 0.99548625359048 1.S29 CB = 57.549(S), Expected = 63.80, Std = 1.4800, ChiSquare = 2.4038e-05 1.K41 HE2 = 1.748(S), Expected = 2.92, Std = 0.1900, ChiSquare = 6.8975e-10 1.K41 HE3 = 2.010(S), Expected = 2.91, Std = 0.2000, ChiSquare = 6.7953e-06 1.K41 HZ1 = 8.402(U) 1.K41 HZ2 = 8.402(U) 1.K41 HZ3 = 8.402(U) 1.K41 SRO Rule Break>> HE2 > HB3 : 0.995656220912194 1.W58 Typing: Suspicious 1.W58 CD1 = 133.490(A), Expected = 126.51, Std = 1.8300, ChiSquare = 1.3662e-04 1.W58 CZ2 = 119.679(S), Expected = 114.26, Std = 1.1200, ChiSquare = 1.3089e-06 1.W58 CZ3 = 126.863(S), Expected = 121.35, Std = 1.5300, ChiSquare = 3.1424e-04 1.W58 CH2 = 129.625(S), Expected = 123.86, Std = 1.4200, ChiSquare = 4.9102e-05 1.D62 HB2 = 1.164(S), Expected = 2.72, Std = 0.2600, ChiSquare = 2.1690e-09 1.G67 H = 10.547(S), Expected = 8.33, Std = 0.6500, ChiSquare = 6.4780e-04 1.L69 HA = 5.903(S), Expected = 4.32, Std = 0.4700, ChiSquare = 7.5692e-04 1.D71 HA = 2.971(S), Expected = 4.59, Std = 0.3200, ChiSquare = 4.2063e-07 1.D71 HB2 = 1.482(S), Expected = 2.72, Std = 0.2600, ChiSquare = 1.9212e-06 1.N78 HB2 = 1.242(S), Expected = 2.81, Std = 0.3100, ChiSquare = 4.2353e-07 1.N78 HB3 = 1.338(S), Expected = 2.75, Std = 0.3300, ChiSquare = 1.8791e-05 1.P100 HA = 2.330(S), Expected = 4.40, Std = 0.3300, ChiSquare = 3.5478e-10