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.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.R3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.150 HA :: 4.046 HB2 :: 1.794 HB3 :: 1.794 HG2 :: 1.624 HG3 :: 1.624 HD2 :: 3.169 HD3 :: 2.938 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) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.59 D 0.2 C 0.11 L 0.05 C Shift Assignments>> C :: 172.640 CA :: 53.340 CB :: 38.790 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 :: 8.399 HA :: 4.606 HB2 :: 2.624 HB3 :: 2.686 HD21 :: 6.858 HD22 :: 7.537 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.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 I 0.39 E 0.06 D 0.03 L 0.03 N 0.01 M 0.01 C Shift Assignments>> C :: 172.390 CA :: 58.680 CB :: 38.590 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 :: 8.023 HA :: 4.619 HB :: 1.591 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 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 :: 122.760 Ave N Shift Values>> N :: 121.46(4.28) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.4 P 0.39 C 0.15 C Shift Assignments>> C :: 173.990 CA :: 63.100 CB :: 32.280 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 :: 4.274 HB2 :: 1.572 HB3 :: 2.122 HG2 :: 1.977 HG3 :: 1.922 HD2 :: 3.635 HD3 :: 3.811 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.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 I 0.47 C Shift Assignments>> C :: 173.940 CA :: 60.700 CB :: 39.250 CG2 :: 15.720 CD1 :: 10.910 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 :: 7.938 HA :: 3.932 HB :: 1.626 HG12 :: 1.299 HG13 :: 0.999 HG21 :: 0.701 HG22 :: 0.701 HG23 :: 0.701 HD11 :: 0.743 HD12 :: 0.743 HD13 :: 0.743 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.240 Ave N Shift Values>> N :: 121.46(4.28) 1.H8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.18 K 0.14 R 0.14 C 0.13 E 0.12 M 0.06 L 0.01 C Shift Assignments>> C :: 171.730 CA :: 55.030 CB :: 29.440 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 :: 8.462 HA :: 4.688 HB2 :: 2.674 HB3 :: 3.206 HD2 :: 6.648 HE1 :: 7.661 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 :: 125.820 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 C Shift Assignments>> C :: 171.680 CA :: 55.570 CB :: 65.600 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.014 HA :: 5.257 HB2 :: 3.420 HB3 :: 3.420 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 :: 115.860 Ave N Shift Values>> N :: 116.28(3.52) 1.C10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 C 0.15 H 0.15 M 0.14 E 0.13 K 0.12 Q 0.09 V 0.01 C Shift Assignments>> C :: 174.890 CA :: 56.860 CB :: 31.290 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.950 HA :: 4.459 HB2 :: 3.114 HB3 :: 2.366 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 127.290 Ave N Shift Values>> N :: 120.17(4.64) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.45 P 0.42 C 0.1 C Shift Assignments>> C :: 174.810 CA :: 64.420 CB :: 32.280 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 :: 4.431 HB2 :: 2.030 HB3 :: 2.367 HG2 :: 2.150 HG3 :: 2.150 HD2 :: 4.218 HD3 :: 4.083 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.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.18 Q 0.16 M 0.13 V 0.09 R 0.05 H 0.04 E 0.02 C Shift Assignments>> C :: 175.500 CA :: 58.640 CB :: 33.570 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 :: 9.291 HA :: 4.329 HB2 :: 1.897 HB3 :: 2.103 HG2 :: 1.372 HG3 :: 1.372 HD2 :: 1.812 HD3 :: 1.682 HE2 :: 2.961 HE3 :: 3.062 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 :: 121.770 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 K 0.18 M 0.12 V 0.1 Q 0.1 R 0.09 H 0.07 E 0.05 C Shift Assignments>> C :: 175.210 CA :: 58.670 CB :: 32.740 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.550 HA :: 4.956 HB2 :: 2.467 HB3 :: 3.294 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.130 Ave N Shift Values>> N :: 120.17(4.64) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.06 C 0.03 C Shift Assignments>> C :: 171.850 CA :: 46.090 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.961 HA2 :: 3.729 HA3 :: 4.147 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.980 Ave N Shift Values>> N :: 109.67(3.87) 1.E15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> E 0.18 C 0.17 R 0.15 H 0.15 Q 0.12 K 0.08 M 0.06 I 0.02 V 0.02 C Shift Assignments>> C :: 172.940 CA :: 58.060 CB :: 30.200 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 :: 8.654 HA :: 3.915 HB2 :: 1.136(S) HB3 :: 2.039 HG2 :: 2.149 HG3 :: 1.990 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 :: 125.070 Ave N Shift Values>> N :: 120.67(3.48) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.64 C 0.35 C Shift Assignments>> C :: 174.010 CA :: 62.830 CB :: 32.230 CG1 :: 20.070 CG2 :: 19.750 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 :: 8.348 HA :: 4.141 HB :: 1.849 HG11 :: 0.790 HG12 :: 0.790 HG13 :: 0.790 HG21 :: 0.865 HG22 :: 0.865 HG23 :: 0.865 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 :: 124.460 Ave N Shift Values>> N :: 121.14(4.54) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 L 0.43 G 0.03 C Shift Assignments>> C :: 174.230 CA :: 50.380 CB :: 41.100 CD1 :: 21.350 CD2 :: 22.330 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 :: 8.694 HA :: 4.917 HB2 :: 1.754 HB3 :: 1.583 HG :: 1.624 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 HD21 :: 0.483 HD22 :: 0.483 HD23 :: 0.483 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 :: 132.310 Ave N Shift Values>> N :: 121.86(3.9) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.5 P 0.38 C 0.1 C Shift Assignments>> C :: 174.390 CA :: 64.720 CB :: 32.520 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 :: 4.368 HB2 :: 2.305 HB3 :: 1.954 HG2 :: 2.069 HG3 :: 2.004 HD2 :: 3.709 HD3 :: 3.652 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.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.3 K 0.1 R 0.1 N 0.07 C 0.05 G 0.01 C Shift Assignments>> C :: 172.670 CA :: 52.610 CB :: 42.310 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 :: 7.103 HA :: 4.247 HB2 :: 2.883 HB3 :: 2.883 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 :: 111.370 Ave N Shift Values>> N :: 120.65(3.86) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 174.750 CA :: 63.210 CB :: 38.450 CG2 :: 15.560 CD1 :: 11.820 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 :: 8.088 HA :: 3.544 HB :: 1.582 HG12 :: 1.170 HG13 :: 1.324 HG21 :: 0.828 HG22 :: 0.828 HG23 :: 0.828 HD11 :: 0.882 HD12 :: 0.882 HD13 :: 0.882 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 :: 117.790 Ave N Shift Values>> N :: 121.46(4.28) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 L 0.24 D 0.2 K 0.13 I 0.13 N 0.03 C Shift Assignments>> C :: 177.280 CA :: 57.680 CB :: 40.510 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 :: 7.916 HA :: 4.359 HB2 :: 2.576 HB3 :: 2.576 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 :: 122.870 Ave N Shift Values>> N :: 120.65(3.86) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.190 CA :: 66.340 CB :: 68.430 CG2 :: 21.070 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 :: 8.741 HA :: 3.913 HB :: 3.915 HG21 :: 1.357 HG22 :: 1.357 HG23 :: 1.357 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.170 Ave N Shift Values>> N :: 115.42(4.75) 1.L23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 L 0.29 C Shift Assignments>> C :: 175.300 CA :: 59.140 CB :: 41.310 CD1 :: 21.840 CD2 :: 24.610 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 :: 7.951 HA :: 4.080 HB2 :: 2.153 HB3 :: 1.383 HG :: 1.625 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 HD21 :: 0.970 HD22 :: 0.970 HD23 :: 0.970 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 :: 123.840 Ave N Shift Values>> N :: 121.86(3.9) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 I 0.2 R 0.12 K 0.11 Q 0.1 E 0.09 H 0.07 L 0.03 C Shift Assignments>> C :: 176.840 CA :: 59.390 CB :: 28.050 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 :: 8.138 HA :: 4.005 HB2 :: 2.133 HB3 :: 2.233 HG2 :: 2.578 HG3 :: 2.451 HE21 :: 6.865 HE22 :: 7.248 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.160 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 176.320 CA :: 64.460 CB :: 38.410 CG2 :: 15.500 CD1 :: 10.740 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 :: 7.415 HA :: 3.756 HB :: 1.853 HG12 :: 1.685 HG13 :: 1.208 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 118.330 Ave N Shift Values>> N :: 121.46(4.28) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 C 0.23 K 0.08 R 0.08 E 0.07 Q 0.06 H 0.05 P 0.03 L 0.01 V 0.01 C Shift Assignments>> C :: 176.730 CA :: 60.290 CB :: 28.130 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 :: 8.217 HA :: 4.175 HB2 :: 3.555 HB3 :: 3.190 HD2 :: 7.028 HE1 :: 7.850 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 :: 119.050 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V27 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 :: 175.980 CA :: 66.580 CB :: 32.140 CG1 :: 19.710 CG2 :: 20.820 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 :: 9.060 HA :: 3.692 HB :: 2.252 HG11 :: 1.178 HG12 :: 1.178 HG13 :: 1.178 HG21 :: 1.379 HG22 :: 1.379 HG23 :: 1.379 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 :: 116.700 Ave N Shift Values>> N :: 121.14(4.54) 1.M28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.18 M 0.13 R 0.12 H 0.1 E 0.08 Q 0.07 V 0.07 C Shift Assignments>> C :: 174.920 CA :: 58.250 CB :: 32.350 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 :: 7.369 HA :: 4.155 HB2 :: 2.113 HB3 :: 2.146 HG2 :: 2.728 HG3 :: 2.650 HE1 :: 2.074 HE2 :: 2.074 HE3 :: 2.074 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 117.220 Ave N Shift Values>> N :: 120.09(3.57) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 D 0.25 R 0.17 K 0.13 C 0.04 N 0.03 G 0.01 C Shift Assignments>> C :: 172.890 CA :: 53.970 CB :: 42.540 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 :: 6.864 HA :: 4.797 HB2 :: 2.389 HB3 :: 2.696 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 :: 115.600 Ave N Shift Values>> N :: 120.65(3.86) 1.C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 C 0.26 K 0.06 E 0.06 P 0.05 V 0.05 H 0.04 R 0.04 Q 0.03 C Shift Assignments>> C :: 173.670 CA :: 61.440 CB :: 29.000 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.364 HA :: 3.944 HB2 :: 2.596 HB3 :: 2.186 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 123.980 Ave N Shift Values>> N :: 120.17(4.64) 1.I31 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 :: 173.290 CA :: 61.210 CB :: 38.970 CD1 :: 11.610 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 :: 8.116 HA :: 4.296 HB :: 1.957 HG12 :: 1.405 HG13 :: 1.114 HG21 :: 0.859 HG22 :: 0.859 HG23 :: 0.859 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.690 Ave N Shift Values>> N :: 121.46(4.28) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 179.070 CA :: 62.710 CB :: 39.190 CG2 :: 16.390 CD1 :: 11.040 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 :: 7.557 HA :: 4.000 HB :: 1.769 HG12 :: 1.187 HG13 :: 1.372 HG21 :: 0.855 HG22 :: 0.855 HG23 :: 0.855 HD11 :: 0.829 HD12 :: 0.829 HD13 :: 0.829 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 :: 128.970 Ave N Shift Values>> N :: 121.46(4.28) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 31 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 29 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 3 Shift Relative Order (SRO) Results: #Consistent: 32 #Suspicious: 0 C Shift Results: #Consistent: 104 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 217 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 25 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E15 HB2 = 1.136(S), Expected = 2.02, Std = 0.2100, ChiSquare = 2.5591e-05