Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.42 L 0.29 G 0.06 D 0.06 F 0.05 K 0.03 C 0.03 C Shift Assignments>> C :: 169.639 CA :: 43.353 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.902 HA3 :: 3.902 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.C2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 G 0.25 R 0.21 D 0.07 C 0.05 F 0.03 C Shift Assignments>> C :: 173.427 CA :: 54.685 CB :: 44.216 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.562 HA :: 5.055 HB2 :: 3.187 HB3 :: 3.309 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 :: 116.736 Ave N Shift Values>> N :: 120.17(4.64) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.33 C 0.18 A 0.09 R 0.02 C Shift Assignments>> C :: 174.726 CA :: 54.462 CB :: 44.671 CG :: 26.289 CD1 :: 26.227 CD2 :: 22.307 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 :: 8.807 HA :: 4.365 HB2 :: 1.770 HB3 :: 1.395 HG :: 1.581 HD11 :: 0.960 HD12 :: 0.960 HD13 :: 0.960 HD21 :: 0.846 HD22 :: 0.846 HD23 :: 0.846 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 :: 122.044 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>> R 0.36 L 0.31 D 0.08 K 0.07 F 0.06 C 0.03 G 0.03 I 0.01 C Shift Assignments>> C :: 172.576 CA :: 42.984 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.907 HA2 :: 4.052 HA3 :: 3.554 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.470 Ave N Shift Values>> N :: 109.67(3.87) 1.I5 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 :: 175.015 CA :: 62.548 CB :: 38.450 CG1 :: 27.956 CG2 :: 15.530 CD1 :: 13.723 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 :: 7.860 HA :: 3.220 HB :: 1.245 HG12 :: 0.473 HG13 :: -0.039 HG21 :: 0.665 HG22 :: 0.665 HG23 :: 0.665 HD11 :: 0.130 HD12 :: 0.130 HD13 :: 0.130 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 :: 117.712 Ave N Shift Values>> N :: 121.46(4.28) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 F 0.42 C Shift Assignments>> C :: 175.034 CA :: 59.376 CB :: 36.270 CD1 :: 131.319 CE1 :: 131.341 CE2 :: 131.341 CZ :: 129.491 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 :: 8.611 HA :: 3.772 HB2 :: 3.116 HB3 :: 2.901 HD1 :: 6.539 HD2 :: 6.539 HE1 :: 7.238 HE2 :: 7.238 HZ :: 7.247 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 :: 116.511 Ave N Shift Values>> N :: 120.45(4.18) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.28 R 0.27 G 0.01 C Shift Assignments>> C :: 176.392 CA :: 54.669 CB :: 32.575 CG :: 24.526 CD :: 27.938 CE :: 42.297 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 :: 7.676 HA :: 4.360 HB2 :: 2.096 HB3 :: 1.756 HG2 :: 1.224 HG3 :: 1.475 HD2 :: 1.690 HD3 :: 1.638 HE2 :: 3.060 HE3 :: 2.979 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 :: 120.057 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.01 C Shift Assignments>> C :: 176.973 CA :: 52.743 CB :: 18.956 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.353 HA :: 4.820 HB1 :: 1.529 HB2 :: 1.529 HB3 :: 1.529 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.250 Ave N Shift Values>> N :: 123.23(3.54) 1.C9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.13 C 0.05 C Shift Assignments>> C :: 170.755 CA :: 53.988 CB :: 46.381 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.369 HA :: 4.846 HB2 :: 3.098 HB3 :: 2.978 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 :: 116.592 Ave N Shift Values>> N :: 120.17(4.64) 1.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 N 0.3 D 0.15 C 0.1 L 0.03 F 0.01 C Shift Assignments>> CA :: 48.463 CB :: 40.323 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 :: 9.120 HA :: 5.137 HB2 :: 3.010 HB3 :: 2.764 HD21 :: 7.758 HD22 :: 7.107 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 :: 119.257 ND2 :: 111.881 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 176.800 CA :: 64.648 CB :: 31.891 CG :: 27.589 CD :: 50.712 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 :: 3.841 HB2 :: 1.980 HB3 :: 2.090 HG2 :: 2.061 HG3 :: 1.780 HD2 :: 3.917 HD3 :: 3.847 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.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.555 CA :: 59.328 CB :: 63.300 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.800 HA :: 4.414 HB2 :: 3.923 HB3 :: 3.802 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 :: 110.618 Ave N Shift Values>> N :: 116.28(3.52) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 C 0.15 D 0.08 F 0.05 L 0.01 C Shift Assignments>> C :: 174.098 CA :: 52.757 CB :: 37.681 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 :: 7.613 HA :: 4.633 HB2 :: 2.604 HB3 :: 2.652 HD21 :: 7.523 HD22 :: 6.819 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 :: 120.663 ND2 :: 110.717 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 D 0.23 K 0.2 F 0.14 C 0.06 N 0.03 R 0.03 C Shift Assignments>> C :: 177.582 CA :: 55.690 CB :: 41.428 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 :: 8.664 HA :: 4.102 HB2 :: 3.011 HB3 :: 2.495 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 :: 123.852 Ave N Shift Values>> N :: 120.65(3.86) 1.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.29 C 0.23 R 0.13 C Shift Assignments>> C :: 176.573 CA :: 54.474 CB :: 28.312 CG :: 33.223 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 :: 8.064 HA :: 4.605 HB2 :: 1.760 HB3 :: 2.724 HG2 :: 2.416 HG3 :: 2.332 HE21 :: 7.093 HE22 :: 6.842 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 :: 127.101 NE2 :: 113.232 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.34 C 0.21 D 0.15 N 0.1 L 0.09 I 0.07 C Shift Assignments>> C :: 176.589 CA :: 56.637 CB :: 39.139 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.326 HA :: 4.947 HB2 :: 2.759 HB3 :: 2.590 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 :: 122.536 Ave N Shift Values>> N :: 120.17(4.64) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 K 0.17 F 0.14 C 0.07 N 0.05 R 0.02 C Shift Assignments>> C :: 175.498 CA :: 55.468 CB :: 41.257 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.259 HA :: 4.562 HB2 :: 3.162 HB3 :: 2.775 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 :: 119.255 Ave N Shift Values>> N :: 120.17(4.64) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.36 R 0.22 C Shift Assignments>> C :: 181.267 CA :: 58.515 CB :: 31.736 CG :: 24.784 CD :: 28.500 CE :: 42.337 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 :: 8.902 HA :: 4.269 HB2 :: 1.924 HB3 :: 1.924 HG2 :: 1.659 HG3 :: 1.590 HD2 :: 1.727 HD3 :: 1.727 HE2 :: 3.063 HE3 :: 3.063 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 :: 131.131 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 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 :: 175.704 CA :: 60.649 CB :: 61.856 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.959 HA :: 4.271 HB2 :: 4.018 HB3 :: 3.937 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 :: 116.608 Ave N Shift Values>> N :: 116.28(3.52) 1.S20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.207 CA :: 57.707 CB :: 63.825 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 6.846 HA :: 4.701 HB2 :: 4.123 HB3 :: 3.637 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 :: 115.975 Ave N Shift Values>> N :: 116.28(3.52) 1.K21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 R 0.32 K 0.14 L 0.04 C Shift Assignments>> C :: 173.952 CA :: 57.218 CB :: 28.207 CG :: 25.231 CD :: 29.072 CE :: 42.054 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 :: 7.988 HA :: 3.841 HB2 :: 2.005 HB3 :: 2.131 HG2 :: 1.330 HG3 :: 1.399 HD2 :: 1.701 HD3 :: 1.701 HE2 :: 2.986 HE3 :: 2.986 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 :: 114.407 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.15 C 0.11 A 0.06 C Shift Assignments>> C :: 176.794 CA :: 52.809 CB :: 45.480 CG :: 26.153 CD1 :: 26.827 CD2 :: 23.038 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 :: 6.975 HA :: 5.116 HB2 :: 1.734 HB3 :: 0.792 HG :: 1.408 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 HD21 :: 0.265 HD22 :: 0.265 HD23 :: 0.265 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 :: 114.388 Ave N Shift Values>> N :: 121.86(3.9) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.27 C Shift Assignments>> C :: 173.454 CA :: 59.699 CB :: 36.192 CG1 :: 20.922 CG2 :: 20.641 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 :: 9.059 HA :: 4.294 HB :: 1.854 HG11 :: 0.841 HG12 :: 0.841 HG13 :: 0.841 HG21 :: 0.779 HG22 :: 0.779 HG23 :: 0.779 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 :: 117.685 Ave N Shift Values>> N :: 121.14(4.54) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 N 0.27 F 0.23 D 0.08 I 0.05 L 0.03 C Shift Assignments>> C :: 174.321 CA :: 55.728 CB :: 37.817 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.645 HA :: 4.529 HB2 :: 3.138 HB3 :: 2.542 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 :: 125.801 Ave N Shift Values>> N :: 120.17(4.64) 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 :: 176.634 CA :: 57.701 CB :: 63.570 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.700 HA :: 4.329 HB2 :: 3.800 HB3 :: 4.027 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 :: 123.658 Ave N Shift Values>> N :: 116.28(3.52) 1.R26 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.47 R 0.36 K 0.09 G 0.06 C Shift Assignments>> C :: 176.787 CA :: 58.871 CB :: 30.001 CG :: 28.538 CD :: 43.308 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.965 HA :: 3.853 HB2 :: 1.868 HB3 :: 1.771 HG2 :: 1.618 HG3 :: 1.740 HD2 :: 3.199 HD3 :: 3.199 HE :: 7.295 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 128.676 NE :: 116.438(A) 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.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.44 R 0.09 C Shift Assignments>> C :: 177.784 CA :: 58.025 CB :: 33.432 CG :: 25.013 CD :: 29.067 CE :: 42.067 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 :: 7.851 HA :: 4.155 HB2 :: 1.706 HB3 :: 1.662 HG2 :: 1.382 HG3 :: 1.276 HD2 :: 1.624 HD3 :: 1.624 HE2 :: 2.923 HE3 :: 2.923 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 :: 117.228 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 173.849 CA :: 60.966 CB :: 69.785 CG2 :: 21.673 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 :: 7.400 HA :: 3.898 HB :: 2.482(S) HG21 :: 0.607 HG22 :: 0.607 HG23 :: 0.607 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 :: 105.257 Ave N Shift Values>> N :: 115.42(4.75) 1.R29 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.47 L 0.21 G 0.12 R 0.09 K 0.08 C Shift Assignments>> C :: 175.712 CA :: 57.546 CB :: 26.440 CG :: 28.311 CD :: 43.660 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.006 HA :: 3.748 HB2 :: 2.029 HB3 :: 2.338 HG2 :: 1.261 HG3 :: 1.420 HD2 :: 3.234 HD3 :: 3.188 HE :: 7.302 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 :: 115.697 NE :: 116.940(A) 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.W30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.43 C Shift Assignments>> C :: 177.451 CA :: 55.633 CB :: 31.331 CD1 :: 126.460 CE3 :: 121.876 CZ2 :: 114.545 CZ3 :: 122.236 CH2 :: 125.013 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 :: 7.122 HA :: 5.590 HB2 :: 2.734 HB3 :: 3.160 HD1 :: 6.989 HE1 :: 10.534 HE3 :: 7.587 HZ2 :: 7.566 HZ3 :: 7.192 HH2 :: 7.289 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 :: 112.217 NE1 :: 129.897 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.23 F 0.16 L 0.15 C 0.1 I 0.01 K 0.01 C Shift Assignments>> C :: 174.332 CA :: 54.817 CB :: 39.863 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.586 HA :: 4.891 HB2 :: 3.224 HB3 :: 2.506 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 :: 119.106 Ave N Shift Values>> N :: 120.17(4.64) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 K 0.33 R 0.04 A 0.02 G 0.01 C Shift Assignments>> C :: 174.535 CA :: 54.355 CB :: 36.237 CG :: 23.930 CD :: 29.776 CE :: 42.054 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 :: 9.494 HA :: 4.725 HB2 :: 1.930 HB3 :: 1.930 HG2 :: 1.456 HG3 :: 1.566 HD2 :: 1.701 HD3 :: 1.701 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 :: 124.756 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.53 C 0.46 C Shift Assignments>> C :: 176.685 CA :: 58.136 CB :: 29.351 CD1 :: 127.541 CE3 :: 121.079 CZ2 :: 114.484 CZ3 :: 122.236 CH2 :: 124.470 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 :: 7.951 HA :: 4.833 HB2 :: 3.034 HB3 :: 3.323 HD1 :: 7.339 HE1 :: 10.078 HE3 :: 7.587 HZ2 :: 7.421 HZ3 :: 7.192 HH2 :: 7.208 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 :: 121.744 NE1 :: 129.499 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 C 0.37 K 0.19 C Shift Assignments>> C :: 173.649 CA :: 56.052 CB :: 30.612 CG :: 33.947 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 :: 8.739 HA :: 4.197 HB2 :: 1.936 HB3 :: 1.796 HG2 :: 2.222 HG3 :: 2.153 HE21 :: 6.810 HE22 :: 7.570 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 :: 126.388 NE2 :: 112.377 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> CA :: 62.962 CB :: 39.346 CG1 :: 27.679 CG2 :: 17.937 CD1 :: 13.727 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 :: 7.573 HA :: 3.881 HB :: 1.697 HG12 :: 1.063 HG13 :: 1.358 HG21 :: 0.791 HG22 :: 0.791 HG23 :: 0.791 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.459 Ave N Shift Values>> N :: 121.46(4.28) ########################################################################### Overall Results: #Consistent: 32 #Clerical: 0 #Suspicious: 1 #Anomalous: 2 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 35 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 35 #Suspicious: 0 C Shift Results: #Consistent: 153 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 244 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 39 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 2 Error Summary: 1.R26 NE = 116.438(A), Expected = 84.63, Std = 1.6800, ChiSquare = 6.0603e-80 1.T28 HB = 2.482(S), Expected = 4.17, Std = 0.3300, ChiSquare = 3.1349e-07 1.R29 NE = 116.940(A), Expected = 84.63, Std = 1.6800, ChiSquare = 1.9922e-82