Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.D1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.43 D 0.33 L 0.12 C 0.09 C Shift Assignments>> C :: 173.081 CA :: 53.618 CB :: 39.653 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>> HA :: 4.207 HB2 :: 2.616 HB3 :: 2.687 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) 1.G2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.11 C 0.03 R 0.01 C Shift Assignments>> C :: 173.848 CA :: 45.179 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.599 HA2 :: 3.762 HA3 :: 3.927 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.171 Ave N Shift Values>> N :: 109.67(3.87) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.35 K 0.15 I 0.06 C Shift Assignments>> C :: 175.221 CA :: 57.148 CB :: 29.301 CG :: 35.905 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 :: 8.477 HA :: 4.115 HB2 :: 1.808 HB3 :: 1.848 HG2 :: 2.151 HG3 :: 2.227 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 :: 120.814 Ave N Shift Values>> N :: 120.67(3.48) 1.C4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.13 C 0.06 C Shift Assignments>> C :: 174.789 CA :: 54.123 CB :: 46.590 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.050 HA :: 4.906 HB2 :: 2.869 HB3 :: 2.944 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 :: 115.823 Ave N Shift Values>> N :: 120.17(4.64) 1.G5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.71 C 0.1 P 0.06 A 0.05 L 0.03 N 0.01 C Shift Assignments>> C :: 173.331 CA :: 47.689 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.272 HA2 :: 3.949 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 :: 105.602 Ave N Shift Values>> N :: 109.67(3.87) 1.D6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.41 L 0.22 N 0.2 K 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 174.303 CA :: 51.824 CB :: 41.453 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 :: 7.399 HA :: 5.176 HB2 :: 2.377 HB3 :: 2.055 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 :: 119.525 Ave N Shift Values>> N :: 120.65(3.86) 1.K7 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.38 K 0.37 R 0.22 C Shift Assignments>> C :: 176.491 CA :: 57.908 CB :: 31.315 CG :: 24.588 CD :: 28.452 CE :: 42.096 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>> HA :: 2.390(S) HB2 :: 0.732(S) HB3 :: -0.358(S) HG2 :: 0.810 HG3 :: 0.367(S) HD2 :: 1.236 HD3 :: 0.899 HE2 :: 2.860 HE3 :: 2.744 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) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 D 0.23 N 0.16 L 0.14 I 0.11 E 0.02 C Shift Assignments>> C :: 174.603 CA :: 56.600 CB :: 39.126 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 :: 8.763 HA :: 3.973 HB2 :: 2.739 HB3 :: 2.882 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 :: 118.123 Ave N Shift Values>> N :: 120.65(3.86) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.26 R 0.25 E 0.02 C Shift Assignments>> C :: 172.723 CA :: 53.456 CB :: 27.509 CG :: 33.592 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 :: 4.467 HB2 :: 1.880 HB3 :: 2.001 HG2 :: 1.933 HG3 :: 2.121 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 :: 119.080 Ave N Shift Values>> N :: 120.67(3.48) 1.P10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.6 C 0.39 C Shift Assignments>> C :: 175.963 CA :: 62.124 CB :: 32.371 CG :: 28.169 CD :: 50.469 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 :: 4.888 HB2 :: 2.372 HB3 :: 1.623 HG2 :: 1.818 HG3 :: 2.010 HD2 :: 3.624 HD3 :: 3.649 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.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.27 N 0.12 C 0.1 K 0.1 I 0.01 C Shift Assignments>> C :: 175.560 CA :: 55.442 CB :: 40.671 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.440 HA :: 4.394 HB2 :: 2.884 HB3 :: 2.885 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 :: 117.256 Ave N Shift Values>> N :: 120.17(4.64) 1.C12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.35 L 0.16 C 0.07 K 0.01 C Shift Assignments>> C :: 174.330 CA :: 53.235 CB :: 40.251 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.249 HA :: 4.628 HB2 :: 3.048 HB3 :: 2.551 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 :: 122.475 Ave N Shift Values>> N :: 120.17(4.64) 1.G13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.19 R 0.06 C 0.04 D 0.01 C Shift Assignments>> C :: 173.730 CA :: 44.775 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.676 HA2 :: 3.585 HA3 :: 4.545 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.237 Ave N Shift Values>> N :: 109.67(3.87) 1.R14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 C 0.29 G 0.08 K 0.07 C Shift Assignments>> C :: 176.773 CA :: 53.641 CB :: 31.731 CG :: 26.855 CD :: 43.164 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 :: 8.255 HA :: 4.669 HB2 :: 1.733 HB3 :: 1.835 HG2 :: 1.569 HG3 :: 1.473 HD2 :: 3.072 HD3 :: 3.072 HH11 :: 7.361 HH12 :: 7.505 HH21 :: 6.751 HH22 :: 6.602 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 :: 123.065 NH1 :: 84.127 NH2 :: 71.603 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.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 176.628 CA :: 65.242 CB :: 31.726 CG :: 27.504 CD :: 50.882 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 :: 4.223 HB2 :: 2.272 HB3 :: 1.816 HG2 :: 1.860 HG3 :: 1.968 HD2 :: 3.591 HD3 :: 3.740 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.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.31 L 0.1 C 0.09 C Shift Assignments>> C :: 176.667 CA :: 53.356 CB :: 39.558 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 :: 7.732 HA :: 4.374 HB2 :: 2.493 HB3 :: 2.848 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 :: 113.958 Ave N Shift Values>> N :: 120.65(3.86) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.22 R 0.1 C 0.04 D 0.02 C Shift Assignments>> C :: 174.120 CA :: 44.601 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.123 HA2 :: 3.599 HA3 :: 4.158 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.298 Ave N Shift Values>> N :: 109.67(3.87) 1.A18 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 :: 176.098 CA :: 52.340 CB :: 19.226 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.572 HA :: 4.150 HB1 :: 1.219 HB2 :: 1.219 HB3 :: 1.219 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.792 Ave N Shift Values>> N :: 123.23(3.54) 1.K19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.39 R 0.14 G 0.01 C Shift Assignments>> C :: 176.655 CA :: 54.505 CB :: 35.815 CG :: 24.951 CD :: 29.239 CE :: 42.136 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 :: 7.970 HA :: 5.051 HB2 :: 1.623 HB3 :: 1.547 HG2 :: 1.190 HG3 :: 1.359 HD2 :: 1.379 HD3 :: 1.465 HE3 :: 2.809 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 :: 119.628 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.84 V 0.14 C Shift Assignments>> C :: 174.216 CA :: 60.059 CB :: 36.562 CG1 :: 21.188 CG2 :: 19.055 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 :: 8.757 HA :: 4.617 HB :: 1.983 HG11 :: 0.679 HG12 :: 0.679 HG13 :: 0.679 HG21 :: 0.609 HG22 :: 0.609 HG23 :: 0.609 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 116.531 Ave N Shift Values>> N :: 121.14(4.54) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.16 C 0.07 C Shift Assignments>> C :: 172.912 CA :: 55.011 CB :: 46.324 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.386 HA :: 4.852 HB2 :: 2.513 HB3 :: 3.190 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 :: 119.357 Ave N Shift Values>> N :: 120.17(4.64) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 C 0.13 D 0.1 L 0.02 E 0.02 C Shift Assignments>> C :: 174.084 CA :: 52.542 CB :: 37.943 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 :: 9.693 HA :: 4.513 HB2 :: 2.781 HB3 :: 2.775 HD21 :: 6.977 HD22 :: 7.764 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 :: 121.561 ND2 :: 114.485 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.35 L 0.15 C 0.07 K 0.01 C Shift Assignments>> C :: 174.448 CA :: 53.330 CB :: 40.200 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 :: 8.321 HA :: 4.309 HB2 :: 2.321 HB3 :: 2.321 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 :: 121.712 Ave N Shift Values>> N :: 120.65(3.86) 1.P24 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Indeterminable PRTL>> C 0.87 G 0.11 A 0.01 C Shift Assignments>> C :: 174.513 CA :: 63.625 CB :: 32.867 CG :: 22.865(S) CD :: 48.170 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 :: 4.365 HB2 :: 1.475 HB3 :: 1.921 HG2 :: -0.122(S) HG3 :: 1.146 HD2 :: 1.338(S) HD3 :: 2.658 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.W25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.52 C 0.47 C Shift Assignments>> C :: 174.307 CA :: 56.733 CB :: 30.051 CD1 :: 124.591 CE3 :: 114.875 CZ2 :: 114.959 CZ3 :: 121.817 CH2 :: 124.591 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 :: 8.334 HA :: 4.710 HB2 :: 3.043 HB3 :: 3.098 HD1 :: 7.112 HE1 :: 9.996 HE3 :: 7.403 HZ2 :: 7.420 HZ3 :: 7.096 HH2 :: 7.107 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 :: 125.765 NE1 :: 128.633 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.27 C Shift Assignments>> C :: 174.295 CA :: 59.163 CB :: 35.278 CG1 :: 21.333 CG2 :: 19.531 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 :: 8.952 HA :: 4.371 HB :: 1.871 HG11 :: 0.800 HG12 :: 0.800 HG13 :: 0.800 HG21 :: 0.737 HG22 :: 0.737 HG23 :: 0.737 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 :: 114.147 Ave N Shift Values>> N :: 121.14(4.54) 1.C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 C 0.24 L 0.22 N 0.11 I 0.08 K 0.02 C Shift Assignments>> C :: 174.268 CA :: 56.656 CB :: 39.867 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.747 HA :: 4.365 HB2 :: 2.609 HB3 :: 2.779 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 :: 122.366 Ave N Shift Values>> N :: 120.17(4.64) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 I 0.03 A 0.01 C Shift Assignments>> C :: 177.492 CA :: 58.495 CB :: 34.518 CG1 :: 26.518 CG2 :: 17.604 CD1 :: 9.243 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 :: 8.763 HA :: 4.132 HB :: 2.284 HG12 :: 1.217 HG13 :: 1.581 HG21 :: 0.886 HG22 :: 0.886 HG23 :: 0.886 HD11 :: 0.596 HD12 :: 0.596 HD13 :: 0.596 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 :: 133.803 Ave N Shift Values>> N :: 121.46(4.28) 1.L29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.43 C Shift Assignments>> C :: 179.282 CA :: 58.044 CB :: 41.222 CG :: 26.975 CD1 :: 24.797 CD2 :: 22.856 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 :: 8.452 HA :: 3.867 HB2 :: 1.689 HB3 :: 1.442 HG :: 1.634 HD11 :: 0.853 HD12 :: 0.853 HD13 :: 0.853 HD21 :: 0.742 HD22 :: 0.742 HD23 :: 0.742 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 :: 128.360 Ave N Shift Values>> N :: 121.86(3.9) 1.T30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.393 CA :: 64.119 CB :: 67.994 CG2 :: 22.238 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 :: 7.589 HA :: 3.929 HB :: 4.081 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 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 :: 108.140 Ave N Shift Values>> N :: 115.42(4.75) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.912 CA :: 56.859 CB :: 64.760 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.002 HA :: 4.446 HB2 :: 3.590 HB3 :: 3.692 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 :: 112.240 Ave N Shift Values>> N :: 116.28(3.52) 1.S32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.998 CA :: 59.523 CB :: 62.111 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.558 HA :: 3.604 HB2 :: 3.696 HB3 :: 4.153 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 :: 118.529 Ave N Shift Values>> N :: 116.28(3.52) 1.R33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.24 G 0.18 K 0.08 C Shift Assignments>> C :: 175.115 CA :: 53.420 CB :: 34.536 CG :: 26.820 CD :: 43.267 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 :: 7.215 HA :: 4.824 HB2 :: 1.420 HB3 :: 1.334 HG2 :: 1.234 HG3 :: 1.395 HD3 :: 2.812 HE :: 7.014 HH11 :: 7.029 HH12 :: 6.884 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 :: 117.830 NH1 :: 84.509 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.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.4 L 0.25 N 0.16 K 0.09 C 0.06 R 0.01 C Shift Assignments>> C :: 175.041 CA :: 53.695 CB :: 41.109 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.284 HA :: 5.060 HB2 :: 3.019 HB3 :: 2.239 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 :: 120.813 Ave N Shift Values>> N :: 120.17(4.64) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 E 0.1 C Shift Assignments>> C :: 175.069 CA :: 54.341 CB :: 33.163 CG :: 37.845 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 :: 9.226 HA :: 4.755 HB2 :: 2.041 HB3 :: 2.341 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 :: 123.396 Ave N Shift Values>> N :: 120.67(3.48) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.7 D 0.14 C 0.11 L 0.03 C Shift Assignments>> C :: 172.567 CA :: 52.454 CB :: 38.398 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 :: 8.540 HA :: 5.089 HB2 :: 2.679 HB3 :: 2.864 HD21 :: 6.922 HD22 :: 7.708 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 :: 118.081 ND2 :: 113.033 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P37 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 :: 180.257 CA :: 64.432 CB :: 31.865 CG :: 27.124 CD :: 50.290 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 :: 4.174 HB2 :: 2.088 HB3 :: 1.853 HG2 :: 1.913 HG3 :: 1.914 HD2 :: 3.783 HD3 :: 3.783 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) ########################################################################### Overall Results: #Consistent: 35 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 36 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 36 #Suspicious: 1 C Shift Results: #Consistent: 143 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 214 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 37 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K7 HA = 2.390(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.9310e-05 1.K7 HB2 = 0.732(S), Expected = 1.78, Std = 0.2500, ChiSquare = 2.7651e-05 1.K7 HB3 = -0.358(S), Expected = 1.74, Std = 0.2700, ChiSquare = 7.8257e-15 1.K7 HG3 = 0.367(S), Expected = 1.35, Std = 0.2800, ChiSquare = 4.4690e-04 1.K7 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K7 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.P24 Typing: Mistyped 1.P24 CG = 22.865(S), Expected = 27.17, Std = 1.0900, ChiSquare = 7.8301e-05 1.P24 HG2 = -0.122(S), Expected = 1.93, Std = 0.3100, ChiSquare = 3.6077e-11 1.P24 HD2 = 1.338(S), Expected = 3.65, Std = 0.3500, ChiSquare = 3.9561e-11