Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 173.626 CA :: 51.841 CB :: 19.445 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.104 HB1 :: 1.532 HB2 :: 1.532 HB3 :: 1.532 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 C 0.4 K 0.08 C Shift Assignments>> C :: 175.960 CA :: 56.073 CB :: 30.439 CG :: 35.945 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 :: 8.716 HA :: 4.426 HB2 :: 1.941 HB3 :: 2.088 HG2 :: 2.327 HG3 :: 2.327 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.667 Ave N Shift Values>> N :: 120.67(3.48) 1.C3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.19 R 0.18 K 0.13 F 0.06 C 0.04 Y 0.04 N 0.01 G 0.01 HN Overlap>> 1.C30 1.C30 C Shift Assignments>> C :: 173.426 CA :: 54.700 CB :: 42.616 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.457 HA :: 4.822 HB2 :: 3.008 HB3 :: 3.230 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 :: 119.340 Ave N Shift Values>> N :: 120.17(4.64) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.36 R 0.14 G 0.01 C Shift Assignments>> C :: 174.620 CA :: 55.603 CB :: 34.310 CG :: 25.003 CD :: 28.793 CE :: 42.520 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 :: 8.763 HA :: 4.326 HB2 :: 1.760 HB3 :: 1.695 HG2 :: 1.554 HG3 :: 1.359 HD2 :: 1.759 HD3 :: 1.477 HE2 :: 2.953 HE3 :: 2.953 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 :: 121.064 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.21 K 0.14 D 0.1 F 0.08 Y 0.04 C 0.03 G 0.01 C Shift Assignments>> C :: 171.833 CA :: 42.642 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.983 HA2 :: 3.725 HA3 :: 3.467 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.502 Ave N Shift Values>> N :: 109.67(3.87) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.35 C Shift Assignments>> C :: 176.435 CA :: 57.913 CB :: 39.083 CD1 :: 131.370 CD2 :: 131.370 CE1 :: 131.442 CE2 :: 131.442 CZ :: 130.214 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.581 HA :: 3.626 HB2 :: 2.729 HB3 :: 2.868 HD1 :: 7.134 HD2 :: 7.134 HE1 :: 7.281 HE2 :: 7.281 HZ :: 7.156 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 :: 117.331 Ave N Shift Values>> N :: 120.45(4.18) 1.W7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.55 C 0.44 C Shift Assignments>> C :: 175.204 CA :: 58.520 CB :: 28.287 CD1 :: 125.566 CE3 :: 120.905 CZ2 :: 114.419 CZ3 :: 121.072 CH2 :: 123.799 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 :: 8.997 HA :: 3.588 HB2 :: 2.340 HB3 :: 3.041 HD1 :: 5.945(S) HE1 :: 8.994 HE3 :: 6.680 HZ2 :: 7.264 HZ3 :: 6.927 HH2 :: 7.150 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 :: 123.869 NE1 :: 127.364 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 R 0.28 C 0.28 G 0.01 C Shift Assignments>> C :: 176.595 CA :: 53.984 CB :: 32.796 CG :: 24.297 CD :: 27.903 CE :: 42.432 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 :: 7.719 HA :: 4.510 HB2 :: 1.977 HB3 :: 1.723 HG2 :: 1.410 HG3 :: 1.182 HD2 :: 1.647 HD3 :: 1.591 HE2 :: 2.974 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 :: 118.614 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.976 CA :: 59.175 CB :: 63.827 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.430 HA :: 4.808 HB2 :: 3.912 HB3 :: 3.912 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.747 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>> G 0.84 L 0.09 C 0.05 C Shift Assignments>> C :: 172.556 CA :: 53.278 CB :: 46.760 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.142 HA :: 4.978 HB2 :: 2.995 HB3 :: 3.156 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 :: 118.508 Ave N Shift Values>> N :: 120.17(4.64) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> CA :: 59.324 CB :: 32.923 CG1 :: 20.805 CG2 :: 21.345 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 :: 8.835 HA :: 4.335 HB :: 1.799 HG11 :: 0.871 HG12 :: 0.871 HG13 :: 0.871 HG21 :: 0.939 HG22 :: 0.939 HG23 :: 0.939 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 :: 122.963 Ave N Shift Values>> N :: 121.14(4.54) 1.P12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 176.806 CA :: 64.329 CB :: 31.789 CG :: 28.303 CD :: 51.341 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 :: 3.943 HB2 :: 1.911 HB3 :: 2.182 HG2 :: 1.756 HG3 :: 2.114 HD2 :: 4.091 HD3 :: 3.745 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.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 174.856 CA :: 45.296 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.826 HA2 :: 3.762 HA3 :: 4.295 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.847 Ave N Shift Values>> N :: 109.67(3.87) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.33 R 0.18 C Shift Assignments>> C :: 175.718 CA :: 55.413 CB :: 32.853 CG :: 25.457 CD :: 28.564 CE :: 42.202 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 :: 7.590 HA :: 4.483 HB2 :: 1.809 HB3 :: 1.991 HG2 :: 1.411 HG3 :: 1.278 HD2 :: 1.584 HD3 :: 1.584 HE2 :: 2.955 HE3 :: 2.955 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 :: 117.957 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 C 0.18 Y 0.08 E 0.08 F 0.06 D 0.05 L 0.01 C Shift Assignments>> C :: 175.372 CA :: 53.622 CB :: 37.371 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 :: 8.473 HA :: 4.677 HB2 :: 2.699 HB3 :: 3.035 HD21 :: 7.593 HD22 :: 6.881 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 :: 118.663 ND2 :: 113.141 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 E 0.27 C Shift Assignments>> C :: 178.083 CA :: 57.422 CB :: 32.526 CG :: 37.306 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 :: 8.848 HA :: 4.304 HB2 :: 2.000 HB3 :: 2.063 HG2 :: 2.168 HG3 :: 2.168 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.492 Ave N Shift Values>> N :: 120.67(3.48) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 F 0.18 Y 0.16 L 0.15 N 0.12 C 0.09 K 0.02 C Shift Assignments>> C :: 175.716 CA :: 55.530 CB :: 40.074 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.278 HA :: 5.176 HB2 :: 2.812 HB3 :: 3.071 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 :: 117.244 Ave N Shift Values>> N :: 120.17(4.64) 1.C18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.22 K 0.1 N 0.1 F 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> C :: 172.720 CA :: 54.336 CB :: 41.143 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.308 HA :: 4.566 HB2 :: 2.519 HB3 :: 3.530 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 :: 121.456 Ave N Shift Values>> N :: 120.17(4.64) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.114 CA :: 60.335 CB :: 63.047 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.461 HA :: 4.273 HB2 :: 3.878 HB3 :: 3.835 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.196 Ave N Shift Values>> N :: 116.28(3.52) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.56 L 0.22 R 0.1 C 0.04 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.468 CA :: 44.582 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.836 HA2 :: 3.474 HA3 :: 4.099 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.736 Ave N Shift Values>> N :: 109.67(3.87) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.77 C 0.22 C Shift Assignments>> C :: 174.011 CA :: 56.055 CB :: 41.659 CD1 :: 132.516 CD2 :: 132.516 CE1 :: 117.922 CE2 :: 117.922 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 :: 8.276 HA :: 5.269 HB2 :: 2.819 HB3 :: 3.137 HD1 :: 6.744 HD2 :: 6.744 HE1 :: 6.622 HE2 :: 6.622 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 :: 118.820 Ave N Shift Values>> N :: 120.52(4.2) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 A 0.28 C 0.16 K 0.04 C Shift Assignments>> C :: 176.439 CA :: 50.971 CB :: 23.106 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.357 HA :: 4.653 HB1 :: 1.392 HB2 :: 1.392 HB3 :: 1.392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.868 Ave N Shift Values>> N :: 123.23(3.54) 1.C23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.21 D 0.18 F 0.11 Y 0.08 R 0.07 C 0.05 N 0.02 C Shift Assignments>> C :: 174.530 CA :: 55.704 CB :: 41.840 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.917 HA :: 4.565 HB2 :: 2.879 HB3 :: 3.140 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 :: 122.679 Ave N Shift Values>> N :: 120.17(4.64) 1.S24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.964 CA :: 57.449 CB :: 63.616 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.057 HA :: 4.455 HB2 :: 3.769 HB3 :: 3.987 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 :: 123.845 Ave N Shift Values>> N :: 116.28(3.52) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.925 CA :: 61.411 CB :: 62.650 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.029 HA :: 3.977 HB2 :: 3.887 HB3 :: 3.887 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 :: 124.964 Ave N Shift Values>> N :: 116.28(3.52) 1.R26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.43 K 0.06 G 0.04 C Shift Assignments>> C :: 177.031 CA :: 57.935 CB :: 31.120 CG :: 26.984 CD :: 43.132 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 :: 7.880 HA :: 4.125 HB2 :: 1.537 HB3 :: 1.686 HG2 :: 1.579 HG3 :: 1.435 HD2 :: 3.147 HD3 :: 3.096 HE :: 7.195 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 :: 119.221 NE :: 84.663 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.D27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.31 L 0.21 N 0.11 F 0.11 K 0.09 Y 0.08 C 0.06 C Shift Assignments>> CA :: 54.557 CB :: 40.955 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 :: 7.396 HA :: 4.273 HB2 :: 1.191(S) HB3 :: 1.406(S) 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 :: 115.090 Ave N Shift Values>> N :: 120.65(3.86) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.44 K 0.06 G 0.02 L 0.01 C Shift Assignments>> CA :: 57.486 CB :: 28.066 CG :: 25.455 CD :: 29.577 CE :: 42.739 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 :: 8.096 HA :: 3.842 HB2 :: 2.252 HB3 :: 1.972 HG2 :: 1.168 HG3 :: 1.168 HD2 :: 1.585 HD3 :: 1.680 HE2 :: 2.945 HE3 :: 2.945 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 :: 114.145 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 C 0.42 C Shift Assignments>> C :: 177.187 CA :: 55.704 CB :: 31.279 CD1 :: 126.279 CE3 :: 121.210 CZ2 :: 114.004 CZ3 :: 121.629 CH2 :: 124.176 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>> HA :: 5.397 HB2 :: 2.447 HB3 :: 2.904 HD1 :: 6.625 HE1 :: 9.166 HE3 :: 7.255 HZ2 :: 7.242 HZ3 :: 6.997 HH2 :: 7.067 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>> NE1 :: 127.659 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.C30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 F 0.18 Y 0.16 L 0.16 N 0.11 C 0.09 K 0.03 HN Overlap>> 1.C3 1.C3 C Shift Assignments>> C :: 174.364 CA :: 55.586 CB :: 40.206 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.447 HA :: 4.896 HB2 :: 3.307 HB3 :: 2.557 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 :: 119.238 Ave N Shift Values>> N :: 120.17(4.64) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.38 R 0.15 C Shift Assignments>> C :: 175.662 CA :: 55.176 CB :: 35.875 CG :: 25.034 CD :: 29.822 CE :: 41.952 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 :: 9.191 HA :: 5.041 HB2 :: 1.896 HB3 :: 2.077 HG2 :: 1.443 HG3 :: 1.410 HD2 :: 1.753 HD3 :: 1.675 HE2 :: 2.819 HE3 :: 2.742 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 :: 124.793 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.18 C Shift Assignments>> C :: 175.973 CA :: 64.073 CB :: 32.368 CG1 :: 22.214 CG2 :: 20.986 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 :: 8.424 HA :: 3.821 HB :: 1.962 HG11 :: 0.931 HG12 :: 0.931 HG13 :: 0.931 HG21 :: 0.869 HG22 :: 0.869 HG23 :: 0.869 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.483 Ave N Shift Values>> N :: 121.14(4.54) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.28 R 0.03 G 0.02 C Shift Assignments>> C :: 175.217 CA :: 55.315 CB :: 42.589 CG :: 26.984 CD1 :: 24.494 CD2 :: 24.717 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 :: 8.045 HA :: 4.307 HB2 :: 1.299 HB3 :: 1.491 HG :: 1.435 HD11 :: 0.831 HD12 :: 0.831 HD13 :: 0.831 HD21 :: 0.832 HD22 :: 0.832 HD23 :: 0.832 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 :: 128.865 Ave N Shift Values>> N :: 121.86(3.9) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.31 G 0.09 R 0.08 C Shift Assignments>> CA :: 56.562 CB :: 43.572 CG :: 27.206 CD1 :: 25.233 CD2 :: 23.640 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 :: 7.793 HA :: 4.178 HB2 :: 1.546 HB3 :: 1.546 HG :: 1.556 HD11 :: 0.893 HD12 :: 0.893 HD13 :: 0.893 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 :: 130.634 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 32 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 34 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 34 #Suspicious: 0 C Shift Results: #Consistent: 145 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 219 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 35 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.W7 HD1 = 5.945(S), Expected = 7.14, Std = 0.3600, ChiSquare = 9.0197e-04 1.D27 HB2 = 1.191(S), Expected = 2.72, Std = 0.2600, ChiSquare = 4.0836e-09 1.D27 HB3 = 1.406(S), Expected = 2.66, Std = 0.2800, ChiSquare = 7.5144e-06