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: Consistent PRTL>> R 0.41 L 0.3 G 0.08 D 0.06 F 0.05 C 0.03 K 0.03 C Shift Assignments>> CA :: 43.427 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.252 HA2 :: 3.984 HA3 :: 3.937 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.987 Ave N Shift Values>> N :: 109.67(3.87) 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>> CA :: 63.064 CB :: 32.404 CG :: 26.943 CD :: 49.656 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 :: 4.454 HB2 :: 2.276 HB3 :: 2.276 HG2 :: 1.981 HG3 :: 1.948 HD2 :: 3.546 HD3 :: 3.514 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 0.62 C 0.27 R 0.06 G 0.02 A 0.01 C Shift Assignments>> CA :: 55.209 CB :: 42.534 CG :: 27.145 CD1 :: 25.107 CD2 :: 23.633 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 :: 8.410 HA :: 4.343 HB2 :: 1.618 HB3 :: 1.538 HG :: 1.590 HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 HD21 :: 0.851 HD22 :: 0.851 HD23 :: 0.851 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 :: 121.829 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 0.82 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.230 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.388 HA2 :: 3.966 HA3 :: 3.966 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.939 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>> CA :: 58.889 CB :: 63.775 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.311 HA :: 4.378 HB2 :: 3.899 HB3 :: 3.845 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 :: 115.903 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>> CA :: 45.514 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.498 HA2 :: 3.957 HA3 :: 3.957 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.841 Ave N Shift Values>> N :: 109.67(3.87) 1.Q7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.23 K 0.23 M 0.12 E 0.07 R 0.01 C Shift Assignments>> CA :: 55.635 CB :: 29.869 CG :: 33.837 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 :: 8.087 HA :: 4.347 HB2 :: 2.109 HB3 :: 1.938 HG2 :: 2.288 HG3 :: 2.288 HE21 :: 7.487 HE22 :: 6.835 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 :: 119.264 NE2 :: 112.333 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 C 0.24 K 0.22 M 0.12 E 0.08 R 0.01 C Shift Assignments>> CA :: 56.038 CB :: 29.930 CG :: 33.835 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 :: 8.250 HA :: 4.316 HB2 :: 2.021 HB3 :: 1.974 HG2 :: 2.381 HG3 :: 2.329 HE21 :: 7.511 HE22 :: 6.764 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 :: 121.714 NE2 :: 111.523 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.4 G 0.12 K 0.05 C Shift Assignments>> CA :: 55.236 CB :: 32.940 CG :: 26.848 CD :: 43.644 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 :: 8.633 HA :: 4.495 HB2 :: 1.824 HB3 :: 1.682 HG2 :: 1.520 HG3 :: 1.486 HD2 :: 2.942 HD3 :: 2.503 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 :: 123.434 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.A10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.62 M 0.36 C 0.01 C Shift Assignments>> CA :: 53.808 CB :: 18.067 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.526 HA :: 4.138 HB1 :: 1.359 HB2 :: 1.359 HB3 :: 1.359 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.627 Ave N Shift Values>> N :: 123.23(3.54) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.15 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.966 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.621 HA2 :: 4.243 HA3 :: 3.802 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.766 Ave N Shift Values>> N :: 109.67(3.87) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 F 0.23 L 0.21 C 0.1 N 0.08 K 0.07 C Shift Assignments>> CA :: 55.940 CB :: 40.527 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 :: 7.819 HA :: 4.773 HB2 :: 2.685 HB3 :: 2.629 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 :: 123.548 Ave N Shift Values>> N :: 120.65(3.86) 1.W13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.64 C 0.35 C Shift Assignments>> CA :: 53.499 CB :: 31.248 CD1 :: 128.270 CE3 :: 120.822 CZ2 :: 113.607 CZ3 :: 120.729 CH2 :: 123.941 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 :: 8.821 HA :: 5.112 HB2 :: 3.183 HB3 :: 3.018 HD1 :: 7.218 HE1 :: 9.671 HE3 :: 7.350 HZ2 :: 6.499 HZ3 :: 6.947 HH2 :: 6.953 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 :: 119.258 NE1 :: 130.405 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.53 C 0.38 R 0.06 C Shift Assignments>> CA :: 55.460 CB :: 33.285 CG :: 23.999 CD :: 29.241 CE :: 41.855 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 :: 8.831 HA :: 4.430 HB2 :: 1.555 HB3 :: 1.725 HG2 :: 1.349 HG3 :: 1.164 HD2 :: 1.593 HD3 :: 1.593 HE2 :: 2.911 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 :: 126.429 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.19 M 0.16 R 0.14 W 0.12 E 0.09 Q 0.06 C Shift Assignments>> CA :: 57.643 CB :: 32.135 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.881 HA :: 4.575 HB2 :: 2.820 HB3 :: 2.776 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 :: 132.034 Ave N Shift Values>> N :: 120.17(4.64) 1.P16 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 :: 63.254 CB :: 32.094 CG :: 26.385 CD :: 51.688 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 :: 4.570 HB2 :: 2.155 HB3 :: 2.216 HG2 :: 1.956 HG3 :: 2.106 HD2 :: 4.681 HD3 :: 3.870 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.N17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.68 D 0.15 C 0.08 F 0.03 L 0.03 C Shift Assignments>> CA :: 50.959 CB :: 38.881 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 :: 9.267 HA :: 4.883 HB2 :: 3.921(S) HB3 :: 2.785 HD21 :: 7.977 HD22 :: 6.844 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 :: 126.554 ND2 :: 113.133 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 64.512 CB :: 32.442 CG :: 27.043 CD :: 51.460 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 :: 4.423 HB2 :: 1.993 HB3 :: 2.358 HG2 :: 1.992 HG3 :: 2.074 HD2 :: 4.037 HD3 :: 4.220 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.T19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> CA :: 61.639 CB :: 68.742 CG2 :: 21.760 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 :: 7.430 HA :: 4.297 HB :: 4.363 HG21 :: 1.147 HG22 :: 1.147 HG23 :: 1.147 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 :: 107.075 Ave N Shift Values>> N :: 115.42(4.75) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.14 W 0.14 R 0.1 M 0.08 E 0.07 Q 0.04 P 0.04 C Shift Assignments>> CA :: 60.097 CB :: 32.292 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.992 HA :: 4.320 HB2 :: 2.540 HB3 :: 3.109 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 :: 125.510 Ave N Shift Values>> N :: 120.17(4.64) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 E 0.35 K 0.04 L 0.02 C Shift Assignments>> CA :: 57.887 CB :: 27.958 CG :: 37.351 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 :: 7.668 HA :: 4.117 HB2 :: 2.101 HB3 :: 2.041 HG2 :: 2.008 HG3 :: 2.175 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 :: 109.352 Ave N Shift Values>> N :: 120.67(3.48) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.23 F 0.13 N 0.11 K 0.09 C 0.07 C Shift Assignments>> CA :: 54.819 CB :: 40.864 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 :: 8.486 HA :: 4.196 HB2 :: 2.739 HB3 :: 2.532 HD21 :: 6.639 HD22 :: 6.639 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 :: 119.518 ND2 :: 113.998 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.38 A 0.22 C Shift Assignments>> CA :: 52.941 CB :: 29.749 CG :: 31.598 CE :: 15.477 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 :: 8.163 HA :: 4.710 HB2 :: 1.896 HB3 :: 1.896 HG2 :: 2.495 HG3 :: 2.354 HE1 :: 1.886 HE2 :: 1.886 HE3 :: 1.886 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 :: 122.925 Ave N Shift Values>> N :: 120.09(3.57) 1.N24 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.34 L 0.25 K 0.12 N 0.1 F 0.07 C 0.05 R 0.02 C Shift Assignments>> CA :: 53.704 CB :: 41.499 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 :: 9.048 HA :: 4.543 HB2 :: 0.387(S) HB3 :: 1.262(S) HD21 :: 4.303(S) HD22 :: 6.897 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 :: 126.935 ND2 :: 113.310 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (HD21 > HA : 0.9966) 1.F25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.94 W 0.05 C Shift Assignments>> CA :: 53.679 CB :: 35.640 CD1 :: 128.034 CE1 :: 129.762 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 :: 7.612 HA :: 4.466 HB2 :: 2.529 HB3 :: 1.537(S) HD1 :: 6.394 HD2 :: 6.394 HE1 :: 6.603 HE2 :: 6.603 HZ :: 6.374 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 :: 119.476 Ave N Shift Values>> N :: 120.45(4.18) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 61.284 CB :: 63.915 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.475 HA :: 4.250 HB2 :: 4.145 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 :: 116.410 Ave N Shift Values>> N :: 116.28(3.52) 1.W27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.55 C 0.44 C Shift Assignments>> CA :: 54.231 CB :: 28.859 CD1 :: 128.672 CE3 :: 121.454 CZ2 :: 114.569 CZ3 :: 122.661 CH2 :: 125.398 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 :: 6.772 HA :: 4.615 HB2 :: 3.690 HB3 :: 3.175 HD1 :: 7.505 HE1 :: 10.315 HE3 :: 7.331 HZ2 :: 7.444 HZ3 :: 7.126 HH2 :: 7.207 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 :: 116.053 NE1 :: 131.637 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 R 0.37 K 0.18 G 0.02 C Shift Assignments>> CA :: 58.040 CB :: 30.007 CG :: 28.305 CD :: 42.713 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 :: 7.933 HA :: 4.319 HB2 :: 1.790 HB3 :: 1.923 HG2 :: 1.094 HG3 :: 0.531(S) HD2 :: 3.010 HD3 :: 2.906 HE :: 7.562 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 :: 122.094 NE :: 82.696 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.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.26 F 0.08 C 0.08 L 0.08 C Shift Assignments>> CA :: 53.354 CB :: 39.379 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 :: 9.185 HA :: 4.816 HB2 :: 2.907 HB3 :: 2.811 HD21 :: 7.629 HD22 :: 6.910 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 :: 119.651 ND2 :: 112.947 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.32 E 0.09 Q 0.09 C Shift Assignments>> CA :: 53.816 CB :: 32.410 CG :: 34.906 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 :: 7.659 HA :: 5.126 HB2 :: 1.910 HB3 :: 1.704 HG2 :: 1.963 HG3 :: 2.118 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 :: 117.743 Ave N Shift Values>> N :: 120.67(3.48) 1.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.2 E 0.17 R 0.15 Q 0.1 K 0.07 M 0.06 C Shift Assignments>> CA :: 58.842 CB :: 30.532 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.780 HA :: 3.823 HB2 :: 3.109 HB3 :: 3.282 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 :: 125.704 Ave N Shift Values>> N :: 120.17(4.64) 1.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.24 F 0.18 C 0.13 L 0.09 C Shift Assignments>> CA :: 54.860 CB :: 39.161 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 :: 8.440 HA :: 4.363 HB2 :: 2.324 HB3 :: 2.117 HD21 :: 7.183 HD22 :: 6.401 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 :: 126.894 ND2 :: 112.191 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 Q 0.26 M 0.25 K 0.14 E 0.02 C Shift Assignments>> CA :: 56.806 CB :: 30.728 CG :: 33.083 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 :: 9.047 HA :: 4.294 HB2 :: 1.726 HB3 :: 1.905 HG2 :: 1.986 HG3 :: 1.893 HE21 :: 6.521 HE22 :: 6.763 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 :: 116.896 NE2 :: 110.334 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 W 0.17 R 0.14 K 0.13 E 0.12 M 0.1 Q 0.05 C Shift Assignments>> CA :: 59.063 CB :: 31.581 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.098 HA :: 4.889 HB2 :: 3.112 HB3 :: 2.609 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 :: 118.672 Ave N Shift Values>> N :: 120.17(4.64) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.26 R 0.26 G 0.01 C Shift Assignments>> CA :: 58.490 CB :: 29.522 CG :: 25.248 CD :: 28.568 CE :: 42.248 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 :: 7.509 HA :: 4.057 HB2 :: 2.104 HB3 :: 2.013 HG2 :: 1.285 HG3 :: 1.221 HD2 :: 1.606 HD3 :: 1.526 HE2 :: 2.879 HE3 :: 2.879 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 :: 116.426 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.12 C 0.01 C Shift Assignments>> CA :: 51.861 CB :: 18.483 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.889 HA :: 4.485 HB1 :: 1.526 HB2 :: 1.526 HB3 :: 1.526 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.281 Ave N Shift Values>> N :: 123.23(3.54) 1.P37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.67 C 0.32 C Shift Assignments>> CA :: 62.365 CB :: 32.016 CG :: 27.311 CD :: 50.317 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 :: 4.491 HB2 :: 1.752 HB3 :: 2.310 HG2 :: 2.030 HG3 :: 2.030 HD2 :: 3.616 HD3 :: 3.905 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.K38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.44 C 0.4 R 0.07 A 0.06 C Shift Assignments>> CA :: 54.207 CB :: 33.357 CG :: 23.092 CD :: 29.243 CE :: 41.900 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 :: 7.175 HA :: 2.837 HB2 :: 1.022 HB3 :: 0.512(S) HG2 :: -0.854(S) HG3 :: 0.681 HD2 :: 1.045 HD3 :: 1.045 HE2 :: 2.388 HE3 :: 2.388 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 :: 122.761 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.3 C Shift Assignments>> CA :: 62.885 CB :: 32.167 CG :: 27.102 CD :: 51.367 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 :: 4.276 HB2 :: 2.218 HB3 :: 1.875 HG2 :: 1.900 HG3 :: 2.057 HD2 :: 3.032 HD3 :: 3.618 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.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.24 K 0.11 N 0.11 F 0.1 C 0.06 R 0.01 C Shift Assignments>> CA :: 54.300 CB :: 41.159 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 :: 8.261 HA :: 4.443 HB2 :: 2.590 HB3 :: 2.520 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 :: 121.548 Ave N Shift Values>> N :: 120.65(3.86) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.211 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.718 HA2 :: 3.684 HA3 :: 3.684 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.897 Ave N Shift Values>> N :: 109.67(3.87) 2.U1 Overall Status: Residue type U not supported. 2.G2 Overall Status: Residue type G not supported. 2.G3 Overall Status: Residue type G not supported. 2.U4 Overall Status: Residue type U not supported. 2.G5 Overall Status: Residue type G not supported. 3.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 36 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 41 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 40 #Suspicious: 1 C Shift Results: #Consistent: 123 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 252 #Duplicate: 0 #Unknown: 0 #Suspicious: 8 #Anomalous: 0 N Shift Results: #Consistent: 47 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N17 HB2 = 3.921(S), Expected = 2.81, Std = 0.3100, ChiSquare = 3.3854e-04 1.N24 HB2 = 0.387(S), Expected = 2.81, Std = 0.3100, ChiSquare = 5.4473e-15 1.N24 HB3 = 1.262(S), Expected = 2.75, Std = 0.3300, ChiSquare = 6.5106e-06 1.N24 HD21 = 4.303(S), Expected = 7.35, Std = 0.4800, ChiSquare = 2.1825e-10 1.N24 SRO Rule Break>> HD21 > HA : 0.996566944580677 1.F25 HB3 = 1.537(S), Expected = 2.93, Std = 0.4000, ChiSquare = 4.9676e-04 1.R28 HG3 = 0.531(S), Expected = 1.54, Std = 0.2900, ChiSquare = 5.0271e-04 1.K38 HB3 = 0.512(S), Expected = 1.74, Std = 0.2700, ChiSquare = 5.4120e-06 1.K38 HG2 = -0.854(S), Expected = 1.37, Std = 0.2600, ChiSquare = 1.1905e-17