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: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.319 HA :: 4.706 HB2 :: 3.649 HB3 :: 3.790 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.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.69 P 0.14 C 0.14 C Shift Assignments>> CB :: 30.120 CG :: 24.870 CD :: 48.080 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 :: 4.596 HB2 :: 1.804 HB3 :: 2.252 HG2 :: 1.936 HG3 :: 1.936 HD2 :: 3.773 HD3 :: 3.562 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.P4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.82 G 0.13 P 0.03 C Shift Assignments>> C :: 176.430 CA :: 62.480 CB :: 31.170 CG :: 24.840 CD :: 47.740 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 :: 4.205 HB2 :: 2.046 HB3 :: 1.592 HG2 :: 1.890 HG3 :: 1.857 HD2 :: 3.661 HD3 :: 3.505 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.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.21 L 0.18 F 0.07 Y 0.06 C 0.05 K 0.04 HN Overlap>> 1.C7 1.C7 C Shift Assignments>> C :: 176.100 CA :: 53.410 CB :: 40.730 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 :: 7.896 HA :: 4.221 HB2 :: 2.143 HB3 :: 2.143 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.070 Ave N Shift Values>> N :: 120.65(3.86) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 N 0.2 Y 0.16 E 0.14 F 0.12 M 0.05 D 0.04 I 0.02 L 0.01 K 0.01 C Shift Assignments>> C :: 174.350 CA :: 55.420 CB :: 37.480 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.290 HA :: 4.586 HB2 :: 2.965 HB3 :: 3.004 HD1 :: 6.970 HD2 :: 6.970 HE1 :: 7.239 HE2 :: 7.239 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.500 Ave N Shift Values>> N :: 120.45(4.18) 1.C7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 K 0.2 H 0.16 C 0.15 E 0.14 L 0.04 M 0.03 I 0.02 HN Overlap>> 1.D5 1.D5 C Shift Assignments>> C :: 175.230 CA :: 56.250 CB :: 28.710 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.921 HA :: 5.145 HB2 :: 2.525 HB3 :: 2.598 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.000 Ave N Shift Values>> N :: 120.17(4.64) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 M 0.18 C 0.18 E 0.15 K 0.14 Q 0.11 V 0.01 C Shift Assignments>> C :: 176.180 CA :: 56.300 CB :: 31.280 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.232 HA :: 4.482 HB2 :: 3.263 HB3 :: 2.717 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 :: 130.600 Ave N Shift Values>> N :: 120.17(4.64) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.73 P 0.22 G 0.03 C Shift Assignments>> C :: 177.610 CA :: 63.580 CB :: 31.750 CG :: 24.610 CD :: 48.730 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 :: 4.465 HB2 :: 1.978 HB3 :: 2.342 HG2 :: 2.033 HG3 :: 2.102 HD2 :: 4.040 HD3 :: 4.191 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.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 K 0.02 C Shift Assignments>> C :: 177.900 CA :: 57.730 CB :: 33.230 CG :: 22.960 CD :: 26.870 CE :: 39.860 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 :: 9.192 HA :: 4.328 HB2 :: 1.859 HB3 :: 2.011 HG2 :: 1.351 HG3 :: 1.284 HD2 :: 1.802 HD3 :: 1.647 HE2 :: 3.028 HE3 :: 2.911 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 :: 121.430 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 K 0.2 M 0.17 H 0.13 E 0.11 V 0.06 Q 0.06 C Shift Assignments>> C :: 176.450 CA :: 57.940 CB :: 32.070 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.207 HA :: 5.002 HB2 :: 3.266 HB3 :: 2.363 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 :: 117.970 Ave N Shift Values>> N :: 120.17(4.64) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.45 Q 0.03 V 0.01 C Shift Assignments>> C :: 175.230 CA :: 57.940 CB :: 25.310 CG :: 32.040 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.967 HA :: 4.086 HB2 :: 2.234 HB3 :: 2.337 HG2 :: 2.205 HG3 :: 2.205 HE21 :: 6.445 HE22 :: 7.280 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.020 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.28 I 0.17 C 0.16 L 0.02 D 0.02 C Shift Assignments>> C :: 173.980 CA :: 58.800 CB :: 39.330 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.762 HA :: 4.131 HB2 :: 2.004 HB3 :: 2.960 HD1 :: 6.331 HD2 :: 6.331 HE1 :: 6.433 HE2 :: 6.433 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 :: 124.050 Ave N Shift Values>> N :: 120.52(4.2) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.36 M 0.13 Q 0.04 P 0.02 C Shift Assignments>> C :: 173.930 CA :: 53.240 CB :: 28.450 CG :: 30.960 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.662 HA :: 4.362 HB2 :: 1.719 HB3 :: 1.624 HG2 :: 2.084 HG3 :: 2.181 HE21 :: 6.760 HE22 :: 7.552 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 127.580 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 G 0.32 C 0.02 C Shift Assignments>> C :: 176.830 CA :: 48.400 CB :: 20.220 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.260 HA :: 4.335 HB1 :: 1.419 HB2 :: 1.419 HB3 :: 1.419 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.850 Ave N Shift Values>> N :: 123.23(3.54) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.82 G 0.14 P 0.02 C Shift Assignments>> C :: 176.270 CA :: 62.830 CB :: 31.660 CG :: 24.370 CD :: 47.770 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 :: 3.616 HB2 :: 2.230 HB3 :: 1.925 HG2 :: 2.072 HG3 :: 1.961 HD2 :: 3.624 HD3 :: 3.704 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.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.26 L 0.16 C 0.05 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 174.930 CA :: 51.530 CB :: 41.100 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 :: 6.938 HA :: 3.669 HB2 :: 2.700 HB3 :: 2.735 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 :: 111.680 Ave N Shift Values>> N :: 120.65(3.86) 1.M18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 M 0.18 A 0.01 C Shift Assignments>> C :: 178.430 CA :: 56.870 CB :: 31.590 CG :: 29.760 CE :: 14.780 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 :: 8.164 HA :: 3.900 HB2 :: 1.901 HB3 :: 1.901 HG2 :: 2.519 HG3 :: 2.519 HE1 :: 2.094 HE2 :: 2.094 HE3 :: 2.094 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 :: 118.140 Ave N Shift Values>> N :: 120.09(3.57) 1.D19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.26 C 0.13 D 0.11 L 0.08 I 0.06 N 0.04 C Shift Assignments>> C :: 179.730 CA :: 57.070 CB :: 39.690 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 :: 8.253 HA :: 4.261 HB2 :: 2.523 HB3 :: 2.523 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.550 Ave N Shift Values>> N :: 120.65(3.86) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 T 0.48 S 0.02 C Shift Assignments>> C :: 178.170 CA :: 65.980 CB :: 67.050 CG2 :: 18.340 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 :: 8.636 HA :: 3.895 HB :: 3.940 HG21 :: 1.391 HG22 :: 1.391 HG23 :: 1.391 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 :: 115.780 Ave N Shift Values>> N :: 115.42(4.75) 1.L21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 A 0.09 C Shift Assignments>> C :: 178.130 CA :: 58.010 CB :: 39.970 CG :: 24.270 CD1 :: 19.480(S) CD2 :: 23.390 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 :: 7.786 HA :: 4.088 HB2 :: 2.222 HB3 :: 1.418 HG :: 1.697 HD11 :: 0.858 HD12 :: 0.858 HD13 :: 0.858 HD21 :: 0.953 HD22 :: 0.953 HD23 :: 0.953 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 :: 123.640 Ave N Shift Values>> N :: 121.86(3.9) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 K 0.25 Q 0.07 M 0.03 P 0.01 C Shift Assignments>> C :: 179.150 CA :: 58.520 CB :: 27.460 CG :: 31.500 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 :: 8.307 HA :: 4.001 HB2 :: 2.121 HB3 :: 2.197 HG2 :: 2.514 HG3 :: 2.461 HE21 :: 6.887 HE22 :: 7.223 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 :: 117.010 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 I 0.37 C Shift Assignments>> C :: 178.710 CA :: 63.930 CB :: 37.720 CG1 :: 26.290 CG2 :: 14.730 CD1 :: 10.350 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 :: 7.338 HA :: 3.732 HB :: 1.867 HG12 :: 1.675 HG13 :: 1.168 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 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 :: 118.550 Ave N Shift Values>> N :: 121.46(4.28) 1.H24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.33 C 0.28 Q 0.08 L 0.06 E 0.06 H 0.06 K 0.06 P 0.02 C Shift Assignments>> C :: 178.790 CA :: 59.690 CB :: 27.260 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 :: 7.872 HA :: 4.065 HB2 :: 3.580 HB3 :: 3.099 HD2 :: 6.935 HE1 :: 7.520 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 :: 118.600 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.73 C 0.26 C Shift Assignments>> C :: 178.500 CA :: 65.990 CB :: 31.520 CG1 :: 19.020 CG2 :: 19.810 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 :: 9.149 HA :: 3.613 HB :: 2.230 HG11 :: 1.154 HG12 :: 1.154 HG13 :: 1.154 HG21 :: 1.337 HG22 :: 1.337 HG23 :: 1.337 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 :: 117.170 Ave N Shift Values>> N :: 121.14(4.54) 1.M26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 M 0.08 C Shift Assignments>> C :: 177.650 CA :: 57.420 CB :: 32.110 CG :: 29.460 CE :: 14.180 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 :: 7.358 HA :: 4.161 HB2 :: 2.115 HB3 :: 2.159 HG2 :: 2.739 HG3 :: 2.615 HE1 :: 2.043 HE2 :: 2.043 HE3 :: 2.043 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.810 Ave N Shift Values>> N :: 120.09(3.57) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.23 M 0.2 K 0.19 E 0.04 C Shift Assignments>> C :: 175.880 CA :: 55.120 CB :: 30.260 CG :: 33.510 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 :: 7.057 HA :: 4.303 HB2 :: 1.804 HB3 :: 1.950 HG2 :: 2.119 HG3 :: 2.166 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 :: 115.370 Ave N Shift Values>> N :: 120.67(3.48) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 C 0.27 K 0.09 E 0.08 Q 0.06 H 0.06 P 0.03 V 0.02 C Shift Assignments>> C :: 176.390 CA :: 60.760 CB :: 28.700 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.507 HA :: 3.855 HB2 :: 2.543 HB3 :: 1.984 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 :: 124.470 Ave N Shift Values>> N :: 120.17(4.64) 1.I29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 I 0.23 C Shift Assignments>> C :: 176.100 CA :: 60.710 CB :: 38.450 CG1 :: 24.450 CG2 :: 15.280 CD1 :: 11.310 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 :: 8.101 HA :: 4.234 HB :: 1.973 HG12 :: 1.091 HG13 :: 1.364 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 HD11 :: 0.851 HD12 :: 0.851 HD13 :: 0.851 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 :: 122.450 Ave N Shift Values>> N :: 121.46(4.28) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.25 K 0.17 E 0.15 M 0.1 I 0.01 C Shift Assignments>> C :: 181.400 CA :: 57.840 CB :: 30.120 CG :: 34.320 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 :: 7.842 HA :: 3.964 HB2 :: 1.745 HB3 :: 1.984 HG2 :: 2.178 HG3 :: 2.178 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 129.230 Ave N Shift Values>> N :: 120.67(3.48) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 29 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 28 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 30 #Suspicious: 0 C Shift Results: #Consistent: 113 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 199 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 24 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L21 CD1 = 19.480(S), Expected = 24.72, Std = 1.5900, ChiSquare = 9.8213e-04