Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.59 R 0.39 C Shift Assignments>> CA :: 56.280 CB :: 35.077 CG :: 25.668 CD :: 30.401 CE :: 41.729 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 :: 4.453 HB2 :: 1.445 HB3 :: 1.317 HG2 :: 1.397 HG3 :: 1.246 HD2 :: 1.499 HD3 :: 1.394 HE2 :: 2.828 HE3 :: 2.828 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) 1.N3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.31 L 0.08 F 0.04 Y 0.03 HN Overlap>> 1.Q14 1.R24 1.Q14 1.R24 C Shift Assignments>> C :: 175.251 CA :: 51.001 CB :: 40.112 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 :: 7.833 HA :: 4.751 HB2 :: 2.995 HB3 :: 2.824 HD21 :: 7.630 HD22 :: 6.843 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 :: 116.956 ND2 :: 113.196 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.31 L 0.03 V 0.03 I 0.02 C Shift Assignments>> C :: 177.565 CA :: 55.380 CB :: 19.589 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.683 HA :: 3.580 HB1 :: 1.061 HB2 :: 1.061 HB3 :: 1.061 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.890 Ave N Shift Values>> N :: 123.23(3.54) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.38 I 0.03 C Shift Assignments>> C :: 180.329 CA :: 55.014 CB :: 17.880 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.893 HA :: 3.196 HB1 :: 1.183 HB2 :: 1.183 HB3 :: 1.183 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.062 Ave N Shift Values>> N :: 123.23(3.54) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 Q 0.33 R 0.17 M 0.05 E 0.02 I 0.01 C Shift Assignments>> C :: 178.043 CA :: 58.462 CB :: 28.363 CG :: 33.049 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.510 HA :: 4.083 HB2 :: 2.205 HB3 :: 2.004 HG2 :: 2.500 HG3 :: 2.500 HE21 :: 7.813 HE22 :: 6.911 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.406 NE2 :: 111.086 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.359 CA :: 65.045 CB :: 37.842 CG1 :: 28.991 CG2 :: 18.844 CD1 :: 13.450 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 :: 7.494 HA :: 3.688 HB :: 1.825 HG12 :: 1.376 HG13 :: 0.813 HG21 :: 1.099 HG22 :: 1.099 HG23 :: 1.099 HD11 :: 0.140 HD12 :: 0.140 HD13 :: 0.140 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 :: 120.921 Ave N Shift Values>> N :: 121.46(4.28) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.462 CA :: 67.458 CB :: 31.620 CG1 :: 24.297 CG2 :: 21.494 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 :: 8.369 HA :: 3.571 HB :: 2.161 HG11 :: 1.050 HG12 :: 1.050 HG13 :: 1.050 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 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 :: 121.484 Ave N Shift Values>> N :: 121.14(4.54) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.21 K 0.19 L 0.15 D 0.09 I 0.05 R 0.02 C Shift Assignments>> C :: 178.925 CA :: 57.823 CB :: 41.174 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 :: 7.987 HA :: 4.561 HB2 :: 2.830 HB3 :: 2.740 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 :: 121.812 Ave N Shift Values>> N :: 120.65(3.86) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.35 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 180.054 CA :: 59.096 CB :: 29.244 CG :: 36.849 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 :: 8.762 HA :: 4.064 HB2 :: 2.294 HB3 :: 1.951 HG2 :: 2.332 HG3 :: 2.332 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 :: 120.359 Ave N Shift Values>> N :: 120.67(3.48) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.76 A 0.14 I 0.08 C Shift Assignments>> C :: 180.633 CA :: 56.052 CB :: 17.069 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.190 HA :: 4.218 HB1 :: 1.704 HB2 :: 1.704 HB3 :: 1.704 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.265 Ave N Shift Values>> N :: 123.23(3.54) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.01 HN Overlap>> 1.E61 1.E61 C Shift Assignments>> C :: 182.311 CA :: 58.328 CB :: 41.715 CG :: 26.749 CD1 :: 24.484 CD2 :: 24.469 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 :: 8.449 HA :: 4.277 HB2 :: 1.984 HB3 :: 1.878 HG :: 1.876 HD11 :: 1.042 HD12 :: 1.042 HD13 :: 1.042 HD21 :: 1.017 HD22 :: 1.017 HD23 :: 1.017 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 :: 122.515 Ave N Shift Values>> N :: 121.86(3.9) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 F 0.22 N 0.22 D 0.13 L 0.05 I 0.03 E 0.03 M 0.01 C Shift Assignments>> C :: 176.365 CA :: 55.714 CB :: 38.569 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 :: 8.425 HA :: 4.606 HB2 :: 2.969 HB3 :: 2.969 HD21 :: 7.649 HD22 :: 6.971 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 :: 118.812 ND2 :: 113.380 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 K 0.31 M 0.12 E 0.1 R 0.02 HN Overlap>> 1.N3 1.N3 1.R24 1.R24 C Shift Assignments>> C :: 175.583 CA :: 54.991 CB :: 29.649 CG :: 33.955 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.752 HA :: 4.640 HB2 :: 2.404 HB3 :: 2.147 HG2 :: 2.576 HG3 :: 2.466 HE21 :: 7.306 HE22 :: 6.925 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 :: 116.908 NE2 :: 111.837 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.06 C Shift Assignments>> C :: 175.757 CA :: 46.250 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.136 HA2 :: 4.262 HA3 :: 4.011 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.132 Ave N Shift Values>> N :: 109.67(3.87) 1.I16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.77 G 0.16 A 0.03 V 0.02 C Shift Assignments>> C :: 174.368 CA :: 61.159 CB :: 41.068 CG1 :: 27.322 CG2 :: 16.258 CD1 :: 19.616(S) 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 :: 8.738 HA :: 4.637 HB :: 1.756 HG12 :: 1.623 HG13 :: 0.949 HG21 :: 1.074 HG22 :: 1.074 HG23 :: 1.074 HD11 :: 0.883 HD12 :: 0.883 HD13 :: 0.883 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 :: 124.765 Ave N Shift Values>> N :: 121.46(4.28) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.137 CA :: 62.162 CB :: 69.929 CG2 :: 21.318 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 :: 9.012 HA :: 4.311 HB :: 4.215 HG21 :: 1.225 HG22 :: 1.225 HG23 :: 1.225 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 :: 124.812 Ave N Shift Values>> N :: 115.42(4.75) 1.L18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.39 G 0.31 A 0.26 R 0.02 C Shift Assignments>> C :: 175.670 CA :: 53.825 CB :: 44.283 CG :: 26.724 CD1 :: 25.355 CD2 :: 21.560 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 :: 7.940 HA :: 4.997 HB2 :: 1.601 HB3 :: 1.075 HG :: 1.109 HD11 :: 0.207 HD12 :: 0.207 HD13 :: 0.207 HD21 :: -0.352(S) HD22 :: -0.352(S) HD23 :: -0.352(S) 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 :: 128.093 Ave N Shift Values>> N :: 121.86(3.9) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 171.258 CA :: 56.436 CB :: 40.235 CD1 :: 132.434 CD2 :: 132.434 CE1 :: 130.768 CE2 :: 130.768 CZ :: 130.553 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 :: 8.644 HA :: 4.798 HB2 :: 3.043 HB3 :: 3.043 HD1 :: 6.852 HD2 :: 6.852 HE1 :: 6.931 HE2 :: 6.931 HZ :: 7.072 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 :: 117.265 Ave N Shift Values>> N :: 120.45(4.18) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.424 CA :: 60.215 CB :: 33.931 CG1 :: 23.784 CG2 :: 20.980 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 :: 8.762 HA :: 4.823 HB :: 1.773 HG11 :: 0.916 HG12 :: 0.916 HG13 :: 0.916 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 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 :: 118.672 Ave N Shift Values>> N :: 121.14(4.54) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 L 0.23 C Shift Assignments>> C :: 177.218 CA :: 51.813 CB :: 21.741 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.316 HA :: 4.646 HB1 :: 1.476 HB2 :: 1.476 HB3 :: 1.476 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.859 Ave N Shift Values>> N :: 123.23(3.54) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 F 0.22 Y 0.21 N 0.14 L 0.13 I 0.02 K 0.01 C Shift Assignments>> C :: 175.178 CA :: 55.728 CB :: 39.776 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 :: 9.466 HA :: 4.243 HB2 :: 2.926 HB3 :: 2.527 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 :: 123.828 Ave N Shift Values>> N :: 120.65(3.86) 1.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.44 Y 0.16 F 0.13 D 0.11 E 0.06 L 0.03 M 0.03 I 0.01 C Shift Assignments>> C :: 173.587 CA :: 54.510 CB :: 38.028 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 :: 8.864 HA :: 3.983 HB2 :: 3.075 HB3 :: 2.847 HD21 :: 7.589 HD22 :: 6.875 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 :: 108.844 ND2 :: 112.961 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 G 0.22 K 0.09 HN Overlap>> 1.N3 1.Q14 1.N3 1.Q14 C Shift Assignments>> C :: 174.455 CA :: 54.547 CB :: 33.347 CG :: 27.050 CD :: 43.539 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 :: 7.799 HA :: 4.653 HB2 :: 1.743 HB3 :: 1.743 HG2 :: 1.630 HG3 :: 1.630 HD2 :: 3.208 HD3 :: 3.208 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 :: 116.974 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.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 R 0.23 G 0.02 C Shift Assignments>> C :: 175.338 CA :: 55.127 CB :: 42.341 CG :: 26.582 CD1 :: 24.313 CD2 :: 26.988 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 :: 8.308 HA :: 4.294 HB2 :: 1.819 HB3 :: 1.170 HG :: 1.392 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 HD21 :: 0.880 HD22 :: 0.880 HD23 :: 0.880 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.734 Ave N Shift Values>> N :: 121.86(3.9) 1.Q26 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.76 Q 0.18 E 0.04 C Shift Assignments>> C :: 172.213 CA :: 53.835 CB :: 32.550 CG :: 33.977 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 :: 8.973 HA :: 4.286 HB2 :: 1.434 HB3 :: -0.065(S) HG2 :: 1.828 HG3 :: 1.912 HE21 :: 7.146 HE22 :: 6.671 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 :: 128.421 NE2 :: 112.387 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.019 CA :: 54.769 CB :: 41.015 CD1 :: 133.727 CD2 :: 133.727 CE1 :: 117.770 CE2 :: 117.770 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 :: 7.485 HA :: 5.631 HB2 :: 2.583 HB3 :: 2.481 HD1 :: 6.645 HD2 :: 6.645 HE1 :: 6.800 HE2 :: 6.800 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 :: 112.248 Ave N Shift Values>> N :: 120.52(4.2) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 E 0.34 Q 0.03 C Shift Assignments>> C :: 174.932 CA :: 54.806 CB :: 32.967 CG :: 36.182 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 :: 8.934 HA :: 4.964 HB2 :: 2.099 HB3 :: 2.063 HG2 :: 2.284 HG3 :: 2.284 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 :: 121.437 Ave N Shift Values>> N :: 120.67(3.48) 1.T29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 A 0.01 C Shift Assignments>> C :: 171.663 CA :: 60.802 CB :: 69.608 CG2 :: 18.378 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.824 HA :: 4.977 HB :: 4.523 HG21 :: 1.351 HG22 :: 1.351 HG23 :: 1.351 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 :: 119.609 Ave N Shift Values>> N :: 115.42(4.75) 1.S30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.323 CA :: 58.492 CB :: 63.660 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.824 HA :: 4.762 HB2 :: 4.046 HB3 :: 3.998 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 :: 120.828 Ave N Shift Values>> N :: 116.28(3.52) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.72 G 0.2 K 0.06 C Shift Assignments>> C :: 176.263 CA :: 56.504 CB :: 31.903 CG :: 27.243 CD :: 43.838 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 :: 8.503 HA :: 4.360 HB2 :: 2.157 HB3 :: 1.797 HG2 :: 1.838 HG3 :: 1.838 HD2 :: 3.628 HD3 :: 3.109 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 :: 123.921 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.D32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.24 K 0.15 F 0.13 Y 0.1 N 0.06 R 0.02 C Shift Assignments>> C :: 175.974 CA :: 55.249 CB :: 41.247 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 :: 8.550 HA :: 4.571 HB2 :: 2.765 HB3 :: 2.765 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 :: 119.797 Ave N Shift Values>> N :: 120.65(3.86) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 N 0.25 L 0.18 F 0.06 K 0.04 Y 0.04 C Shift Assignments>> C :: 173.384 CA :: 52.604 CB :: 40.912 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 :: 7.838 HA :: 4.807 HB2 :: 2.697 HB3 :: 2.697 HD21 :: 7.709 HD22 :: 6.968 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 :: 115.203 ND2 :: 114.330 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I34 Overall: Suspicious Typing: Suspicious SRO: Suspicious C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.99 C Shift Assignments>> C :: 173.746 CA :: 57.409 CB :: 39.062 CG1 :: 17.449(S) CG2 :: 27.131(S) CD1 :: 12.486 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 :: 8.417 HA :: 4.353 HB :: 1.719 HG12 :: 0.676 HG13 :: 0.676 HG21 :: 1.388 HG22 :: 1.388 HG23 :: 1.388 HD11 :: 0.729 HD12 :: 0.729 HD13 :: 0.729 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.750 Ave N Shift Values>> N :: 121.46(4.28) SRO Rule Breaks>> (CG1 > CG2 : 0.9944) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> CA :: 62.968 CB :: 32.567 CG :: 27.636 CD :: 51.024 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 :: 4.341 HB2 :: 2.484 HB3 :: 1.814 HG2 :: 2.061 HG3 :: 2.061 HD2 :: 3.911 HD3 :: 3.411 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.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.23 K 0.12 Q 0.07 M 0.03 C Shift Assignments>> C :: 177.663 CA :: 59.549 CB :: 29.576 CG :: 36.031 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 :: 8.902 HA :: 3.748 HB2 :: 2.039 HB3 :: 1.944 HG2 :: 2.285 HG3 :: 2.285 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 :: 125.984 Ave N Shift Values>> N :: 120.67(3.48) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.35 K 0.13 Q 0.07 C Shift Assignments>> C :: 179.374 CA :: 59.603 CB :: 28.563 CG :: 36.031 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 :: 9.247 HA :: 3.974 HB2 :: 1.913 HB3 :: 1.913 HG2 :: 2.252 HG3 :: 2.252 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 :: 116.328 Ave N Shift Values>> N :: 120.67(3.48) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> C :: 176.133 CA :: 56.928 CB :: 40.550 CG :: 27.145 CD1 :: 24.628 CD2 :: 23.641 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 :: 6.831 HA :: 3.734 HB2 :: 0.671 HB3 :: 1.101 HG :: 1.151 HD11 :: 0.795 HD12 :: 0.795 HD13 :: 0.795 HD21 :: 0.771 HD22 :: 0.771 HD23 :: 0.771 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 :: 120.125 Ave N Shift Values>> N :: 121.86(3.9) 1.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.97 R 0.02 C Shift Assignments>> C :: 180.690 CA :: 57.659 CB :: 41.375 CG :: 26.469 CD1 :: 25.508 CD2 :: 23.604 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 :: 6.524 HA :: 3.291 HB2 :: 1.589 HB3 :: 1.318 HG :: 1.226 HD11 :: 0.837 HD12 :: 0.837 HD13 :: 0.837 HD21 :: 0.776 HD22 :: 0.776 HD23 :: 0.776 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 :: 116.562 Ave N Shift Values>> N :: 121.86(3.9) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 Y 0.24 F 0.18 E 0.12 D 0.07 M 0.04 I 0.03 L 0.03 HN Overlap>> 1.Y45 1.Y45 C Shift Assignments>> C :: 177.840 CA :: 55.603 CB :: 37.845 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 :: 8.253 HA :: 4.419 HB2 :: 2.719 HB3 :: 2.719 HD21 :: 7.596 HD22 :: 7.056 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 :: 115.297 ND2 :: 112.178 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.25 E 0.15 I 0.14 R 0.12 K 0.09 V 0.08 Q 0.08 M 0.03 P 0.01 C Shift Assignments>> C :: 178.506 CA :: 60.215 CB :: 29.941 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 :: 7.471 HA :: 4.298 HB2 :: 2.274 HB3 :: 2.169 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 :: 124.812 Ave N Shift Values>> N :: 120.67(3.48) 1.W42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 178.593 CA :: 57.436 CB :: 28.094 CD1 :: 123.068 CE3 :: 119.916 CZ2 :: 112.698 CZ3 :: 124.737 CH2 :: 121.305 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 :: 8.378 HA :: 4.542 HB2 :: 3.321 HB3 :: 3.018 HD1 :: 6.550 HE1 :: 10.961 HE3 :: 7.214 HZ2 :: 6.986 HZ3 :: 6.628 HH2 :: 5.961 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 :: 119.750 NE1 :: 129.137 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 G 0.01 C Shift Assignments>> C :: 179.533 CA :: 59.548 CB :: 32.649 CG :: 25.046 CD :: 29.743 CE :: 42.097 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 :: 7.713 HA :: 4.154 HB2 :: 2.030 HB3 :: 2.030 HG2 :: 1.692 HG3 :: 1.448 HD2 :: 1.767 HD3 :: 1.767 HE2 :: 3.010 HE3 :: 3.010 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 :: 115.859 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 177.884 CA :: 61.437 CB :: 38.274 CD1 :: 133.094 CD2 :: 133.094 CE1 :: 117.991 CE2 :: 117.991 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 :: 8.097 HA :: 4.092 HB2 :: 3.110 HB3 :: 3.003 HD1 :: 6.383 HD2 :: 6.383 HE1 :: 6.591 HE2 :: 6.591 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 :: 121.625 Ave N Shift Values>> N :: 120.52(4.2) 1.Y45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.N40 1.N40 C Shift Assignments>> C :: 175.540 CA :: 57.975 CB :: 37.858 CD1 :: 134.176 CD2 :: 134.176 CE1 :: 118.285 CE2 :: 118.285 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 :: 8.151 HA :: 4.806 HB2 :: 3.540 HB3 :: 2.709 HD1 :: 7.483 HD2 :: 7.483 HE1 :: 6.933 HE2 :: 6.933 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 :: 115.250 Ave N Shift Values>> N :: 120.52(4.2) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 G 0.35 K 0.04 C Shift Assignments>> C :: 177.421 CA :: 61.718 CB :: 31.303 CG :: 26.671 CD :: 43.498 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 :: 7.056 HA :: 3.963 HB2 :: 2.380 HB3 :: 1.884 HG2 :: 1.644 HG3 :: 1.644 HD2 :: 3.468 HD3 :: 3.354 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 :: 121.765 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.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.35 R 0.16 M 0.03 E 0.03 I 0.01 C Shift Assignments>> C :: 177.594 CA :: 58.461 CB :: 28.229 CG :: 33.306 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 :: 8.769 HA :: 4.066 HB2 :: 2.006 HB3 :: 2.006 HG2 :: 2.252 HG3 :: 2.252 HE21 :: 7.978 HE22 :: 7.009 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.078 NE2 :: 116.391 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 D 0.15 L 0.15 K 0.06 I 0.04 N 0.03 C Shift Assignments>> C :: 180.097 CA :: 57.047 CB :: 40.432 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 :: 7.924 HA :: 4.452 HB2 :: 2.935 HB3 :: 2.779 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 :: 118.297 Ave N Shift Values>> N :: 120.65(3.86) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 R 0.29 G 0.04 C Shift Assignments>> C :: 177.971 CA :: 58.479 CB :: 42.637 CG :: 27.142 CD1 :: 26.576 CD2 :: 24.043 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 :: 8.644 HA :: 4.001 HB2 :: 2.240 HB3 :: 1.157 HG :: 1.747 HD11 :: 0.995 HD12 :: 0.995 HD13 :: 0.995 HD21 :: 0.794 HD22 :: 0.794 HD23 :: 0.794 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 :: 120.593 Ave N Shift Values>> N :: 121.86(3.9) 1.I50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.754 CA :: 65.993 CB :: 38.090 CG1 :: 30.150 CG2 :: 16.637 CD1 :: 13.764 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 :: 8.503 HA :: 3.496 HB :: 1.881 HG12 :: 0.756 HG13 :: 1.905 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 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 :: 120.500 Ave N Shift Values>> N :: 121.46(4.28) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.31 Y 0.27 L 0.13 D 0.12 I 0.06 K 0.06 N 0.02 C Shift Assignments>> C :: 178.795 CA :: 57.492 CB :: 40.417 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 :: 8.441 HA :: 4.371 HB2 :: 2.839 HB3 :: 2.733 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 :: 118.297 Ave N Shift Values>> N :: 120.65(3.86) 1.F52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 177.782 CA :: 60.949 CB :: 40.992 CD1 :: 131.629 CD2 :: 131.629 CE1 :: 131.390 CE2 :: 131.390 CZ :: 130.442 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 :: 7.924 HA :: 4.313 HB2 :: 3.316 HB3 :: 2.993 HD1 :: 7.112 HD2 :: 7.112 HE1 :: 7.325 HE2 :: 7.325 HZ :: 7.342 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 :: 119.328 Ave N Shift Values>> N :: 120.45(4.18) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 R 0.37 G 0.02 A 0.01 C Shift Assignments>> C :: 179.765 CA :: 57.014 CB :: 42.326 CG :: 27.836 CD1 :: 26.453 CD2 :: 22.725 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 :: 8.660 HA :: 3.923 HB2 :: 1.937 HB3 :: 1.458 HG :: 1.964 HD11 :: 0.578 HD12 :: 0.578 HD13 :: 0.578 HD21 :: 1.035 HD22 :: 1.035 HD23 :: 1.035 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 :: 119.000 Ave N Shift Values>> N :: 121.86(3.9) 1.Q54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.31 E 0.25 I 0.04 R 0.03 M 0.02 C Shift Assignments>> C :: 177.305 CA :: 58.067 CB :: 28.908 CG :: 34.679 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 :: 8.378 HA :: 4.256 HB2 :: 2.220 HB3 :: 2.122 HG2 :: 2.378 HG3 :: 2.599 HE21 :: 7.317 HE22 :: 6.891 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 :: 118.062 NE2 :: 111.370 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.36 E 0.09 R 0.09 M 0.03 I 0.01 C Shift Assignments>> C :: 176.886 CA :: 56.881 CB :: 28.553 CG :: 33.925 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.674 HA :: 4.240 HB2 :: 2.130 HB3 :: 2.130 HG2 :: 2.532 HG3 :: 2.532 HE21 :: 7.487 HE22 :: 6.840 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 :: 118.672 NE2 :: 112.574 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.04 G 0.01 A 0.01 C Shift Assignments>> C :: 177.768 CA :: 56.175 CB :: 42.241 CG :: 26.372 CD1 :: 25.180 CD2 :: 23.507 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 :: 7.690 HA :: 4.123 HB2 :: 1.586 HB3 :: 1.534 HG :: 1.512 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 HD21 :: 0.775 HD22 :: 0.775 HD23 :: 0.775 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 :: 121.437 Ave N Shift Values>> N :: 121.86(3.9) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.24 K 0.12 F 0.1 N 0.1 Y 0.07 R 0.01 C Shift Assignments>> C :: 176.133 CA :: 54.407 CB :: 41.204 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 :: 7.979 HA :: 4.586 HB2 :: 2.744 HB3 :: 2.621 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 :: 119.937 Ave N Shift Values>> N :: 120.65(3.86) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 177.840 CA :: 52.491 CB :: 19.169 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.963 HA :: 4.316 HB1 :: 1.415 HB2 :: 1.415 HB3 :: 1.415 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.015 Ave N Shift Values>> N :: 123.23(3.54) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.77 R 0.2 G 0.01 C Shift Assignments>> C :: 176.697 CA :: 56.280 CB :: 32.967 CG :: 24.630 CD :: 28.994 CE :: 42.107 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 :: 8.214 HA :: 4.315 HB2 :: 1.813 HB3 :: 1.864 HG2 :: 1.482 HG3 :: 1.448 HD2 :: 1.697 HD3 :: 1.697 HE2 :: 3.012 HE3 :: 3.012 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 :: 120.687 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.18 Q 0.08 K 0.08 I 0.03 C Shift Assignments>> C :: 176.596 CA :: 56.219 CB :: 30.393 CG :: 36.261 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 :: 8.433 HA :: 4.313 HB2 :: 2.077 HB3 :: 1.964 HG2 :: 2.313 HG3 :: 2.313 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 :: 122.234 Ave N Shift Values>> N :: 120.67(3.48) 1.E61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.61 M 0.18 Q 0.08 K 0.07 I 0.03 HN Overlap>> 1.L12 1.L12 C Shift Assignments>> C :: 176.683 CA :: 56.603 CB :: 30.467 CG :: 36.266 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 :: 8.543 HA :: 4.404 HB2 :: 2.101 HB3 :: 1.977 HG2 :: 2.278 HG3 :: 2.278 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 :: 122.562 Ave N Shift Values>> N :: 120.67(3.48) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.905 CA :: 61.926 CB :: 69.778 CG2 :: 21.157 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.292 HA :: 4.375 HB :: 4.261 HG21 :: 1.221 HG22 :: 1.221 HG23 :: 1.221 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 :: 116.000 Ave N Shift Values>> N :: 115.42(4.75) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.21 E 0.2 R 0.2 Q 0.15 M 0.09 K 0.08 V 0.02 I 0.01 C Shift Assignments>> C :: 180.690 CA :: 57.464 CB :: 30.426 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 :: 8.104 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 :: 127.859 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) ########################################################################### Overall Results: #Consistent: 59 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 61 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 62 #Suspicious: 1 C Shift Results: #Consistent: 279 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent: 451 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 72 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.I16 CD1 = 19.616(S), Expected = 13.43, Std = 1.6700, ChiSquare = 2.1207e-04 1.L18 HD21 = -0.352(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9070e-04 1.L18 HD22 = -0.352(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9070e-04 1.L18 HD23 = -0.352(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9070e-04 1.Q26 HB3 = -0.065(S), Expected = 2.02, Std = 0.2800, ChiSquare = 9.5901e-14 1.I34 Typing: Suspicious 1.I34 CG1 = 17.449(S), Expected = 27.71, Std = 1.6800, ChiSquare = 1.0105e-09 1.I34 CG2 = 27.131(S), Expected = 17.53, Std = 1.3600, ChiSquare = 1.6703e-12 1.I34 SRO Rule Break>> CG1 > CG2 : 0.99435736677116