Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.C1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.24 K 0.14 R 0.12 F 0.06 C 0.04 Y 0.04 N 0.03 C Shift Assignments>> CA :: 54.193 CB :: 42.299 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.951 HA :: 4.889 HB2 :: 3.099 HB3 :: 3.138 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.114 Ave N Shift Values>> N :: 120.17(4.64) 1.R2 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.39 R 0.33 K 0.18 G 0.08 C Shift Assignments>> CA :: 55.603 CB :: 31.355 CG :: 29.001 CD :: 43.417 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 :: 9.043 HA :: 4.548 HB2 :: 1.921 HB3 :: 1.907 HG2 :: 1.695 HG3 :: 1.672 HD2 :: 3.028 HD3 :: 3.425 HE :: 7.871 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.379 NE :: 121.191(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.I3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> CA :: 61.532 CB :: 36.189 CG1 :: 25.618 CG2 :: 17.871 CD1 :: 13.896 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 :: 8.364 HA :: 4.150 HB :: 2.164 HG12 :: 1.349 HG13 :: 1.265 HG21 :: 1.106 HG22 :: 1.106 HG23 :: 1.106 HD11 :: 0.934 HD12 :: 0.934 HD13 :: 0.934 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 :: 122.393 Ave N Shift Values>> N :: 121.46(4.28) 1.HYP4 Overall Status: Residue type HYP not supported. 1.N5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 C 0.2 N 0.19 F 0.16 E 0.1 D 0.06 I 0.03 L 0.02 C Shift Assignments>> CA :: 55.673 CB :: 37.866 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 :: 9.413 HA :: 4.260 HB2 :: 3.079 HB3 :: 3.217 HD21 :: 7.582 HD22 :: 6.946 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 :: 116.228 ND2 :: 113.019 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.28 Q 0.22 K 0.15 I 0.01 C Shift Assignments>> CA :: 55.774 CB :: 29.987 CG :: 35.243 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 :: 7.756 HA :: 4.343 HB2 :: 2.173 HB3 :: 2.161 HG2 :: 2.490 HG3 :: 2.482 HE21 :: 7.618 HE22 :: 7.043 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 :: 118.630 NE2 :: 113.102 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K7 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Unknown N Shifts: Anomalous PRTL>> C 0.86 R 0.1 K 0.01 G 0.01 C Shift Assignments>> CA :: 56.568 CB :: 32.908 CG :: 24.784 CD :: 24.786(S) CE :: 41.904 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 :: 8.249 HA :: 4.735 HB2 :: 1.706 HB3 :: 1.755 HG2 :: 1.317 HG3 :: 1.309 HD2 :: 1.516 HD3 :: 1.502 HE3 :: 2.949 HZ1 :: 7.574(U) HZ2 :: 7.574(U) HZ3 :: 7.574(U) 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 :: 120.910 NZ :: 113.011(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.09 C 0.06 C Shift Assignments>> CA :: 53.359 CB :: 46.978 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.089 HA :: 4.706 HB2 :: 3.122 HB3 :: 3.383 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 :: 118.771 Ave N Shift Values>> N :: 120.17(4.64) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 F 0.21 Y 0.15 L 0.11 I 0.08 N 0.06 C 0.05 K 0.04 C Shift Assignments>> CB :: 40.692 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 :: 8.805 HA :: 4.762 HB2 :: 3.193 HB3 :: 2.802 HD1 :: 7.306 HD2 :: 7.306 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 :: 118.120 Ave N Shift Values>> N :: 120.45(4.18) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.26 K 0.24 R 0.08 E 0.05 I 0.02 C Shift Assignments>> CA :: 58.387 CB :: 28.203 CG :: 33.848 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 :: 8.768 HA :: 3.731 HB2 :: 1.935 HB3 :: 1.856 HG2 :: 2.331 HG3 :: 2.262 HE21 :: 6.615 HE22 :: 7.551 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 :: 121.473 NE2 :: 114.400 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.H11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 Q 0.17 L 0.13 C 0.13 K 0.12 H 0.11 E 0.08 I 0.02 C Shift Assignments>> CA :: 56.026 CB :: 27.883 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.464 HA :: 4.649 HB2 :: 3.299 HB3 :: 3.343 HD1 :: 7.286 HE1 :: 8.586 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 113.607 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 C 0.28 R 0.03 G 0.01 C Shift Assignments>> CA :: 54.994 CB :: 42.338 CG :: 27.259 CD1 :: 23.894 CD2 :: 24.617 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 :: 7.628 HA :: 4.416 HB2 :: 1.656 HB3 :: 1.606 HG :: 1.418 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 HD21 :: 0.870 HD22 :: 0.870 HD23 :: 0.870 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 :: 121.281 Ave N Shift Values>> N :: 121.86(3.9) 1.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.26 N 0.25 Y 0.19 F 0.12 C 0.09 D 0.03 E 0.01 L 0.01 C Shift Assignments>> CB :: 38.353 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 :: 8.465 HA :: 4.758 HB2 :: 2.975 HB3 :: 2.688 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 :: 120.397 Ave N Shift Values>> N :: 120.65(3.86) 1.D14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 I 0.15 N 0.14 D 0.12 C 0.06 L 0.04 C Shift Assignments>> CB :: 39.741 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 :: 8.251 HA :: 4.729 HB2 :: 3.051 HB3 :: 2.577 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 :: 119.232 Ave N Shift Values>> N :: 120.65(3.86) 1.C15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 C 0.26 Y 0.15 N 0.09 F 0.09 I 0.03 K 0.03 D 0.01 C Shift Assignments>> CA :: 55.991 CB :: 36.802 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.640 HA :: 4.915 HB2 :: 2.647 HB3 :: 3.421 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 :: 118.988 Ave N Shift Values>> N :: 120.17(4.64) 1.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> Y 0.29 F 0.26 C 0.17 I 0.08 D 0.06 L 0.04 N 0.03 E 0.01 C Shift Assignments>> CA :: 57.373 CB :: 38.944 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 10.320 HA :: 4.453 HB2 :: 2.784 HB3 :: 3.309 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 58.423 CB :: 65.161 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.313 HA :: 4.160 HB2 :: 3.681 HB3 :: 4.025 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 :: 113.484 Ave N Shift Values>> N :: 116.28(3.52) 1.R18 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.37 L 0.28 R 0.24 K 0.06 G 0.03 C Shift Assignments>> CA :: 57.085 CB :: 27.190 CG :: 27.430 CD :: 42.864 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 :: 7.634 HA :: 3.828 HB2 :: 2.137 HB3 :: 2.206 HG2 :: 1.555 HG3 :: 1.648 HD3 :: 3.229 HE :: 7.391 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 :: 112.083 NE :: 120.257(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.K19 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Anomalous PRTL>> K 0.47 C 0.42 Q 0.05 R 0.02 C Shift Assignments>> CA :: 55.999 CB :: 34.183 CG :: 24.738 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 :: 7.830 HA :: 4.529 HB2 :: 1.730 HB3 :: 1.549 HG2 :: 1.190 HG3 :: 1.255 HD3 :: 1.659 HZ1 :: 7.858(U) HZ2 :: 7.858(U) HZ3 :: 7.858(U) 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 :: 120.071 NZ :: 121.189(A) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.25 K 0.14 F 0.07 N 0.07 Y 0.05 C 0.04 R 0.04 C Shift Assignments>> CA :: 54.075 CB :: 41.686 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.497 HA :: 5.049 HB2 :: 2.827 HB3 :: 3.055 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 :: 127.407 Ave N Shift Values>> N :: 120.17(4.64) 1.N21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.17 C 0.08 F 0.05 Y 0.04 L 0.04 C Shift Assignments>> CA :: 52.202 CB :: 38.945 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 :: 8.902 HA :: 4.609 HB2 :: 3.625 HB3 :: 2.851 HD21 :: 7.359 HD22 :: 7.685 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 :: 127.195 ND2 :: 111.390 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R22 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Anomalous PRTL>> C 0.33 K 0.26 R 0.25 L 0.11 G 0.03 C Shift Assignments>> CA :: 57.404 CB :: 28.907 CG :: 25.672 CD :: 43.059 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 :: 8.190 HA :: 4.059 HB2 :: 1.656 HB3 :: 1.482 HG2 :: 1.166 HG3 :: 0.538(S) HD2 :: 2.942 HD3 :: 2.918 HE :: 6.960 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 :: 114.600 NE :: 119.731(A) Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.21 F 0.19 E 0.1 N 0.09 I 0.05 D 0.04 L 0.02 C Shift Assignments>> CA :: 56.530 CB :: 37.978 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 :: 7.432 HA :: 4.689 HB2 :: 2.757 HB3 :: 3.496 HD1 :: 7.195 HD2 :: 7.195 HE1 :: 7.336 HE2 :: 7.336 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 :: 119.470 Ave N Shift Values>> N :: 120.45(4.18) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.28 N 0.13 Y 0.07 K 0.07 Q 0.05 F 0.04 C Shift Assignments>> CA :: 54.748 CB :: 35.990 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 :: 8.400 HA :: 4.265 HB2 :: 3.052 HB3 :: 3.362 HD21 :: 7.443 HD22 :: 6.849 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 :: 114.348 ND2 :: 112.727 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.93 L 0.06 C Shift Assignments>> CA :: 54.369 CB :: 36.301 CG :: 24.697 CD :: 24.766(S) 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 :: 7.619 HA :: 4.959 HB2 :: 1.421 HB3 :: 1.581 HG2 :: 1.206 HG3 :: 1.220 HD2 :: 1.486 HD3 :: 1.373 HE3 :: 2.948 HZ1 :: 7.498(U) HZ2 :: 7.498(U) HZ3 :: 7.498(U) 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 :: 116.587 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 C 0.16 Y 0.09 F 0.07 D 0.07 E 0.06 L 0.01 HN Overlap>> 1.V27 1.V27 C Shift Assignments>> CA :: 53.786 CB :: 37.642 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.591 HA :: 5.286 HB2 :: 2.813 HB3 :: 3.430 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.369 Ave N Shift Values>> N :: 120.17(4.64) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.48 HN Overlap>> 1.C26 1.C26 C Shift Assignments>> CA :: 60.373 CB :: 34.657 CG1 :: 21.805 CG2 :: 20.351 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 :: 8.675 HA :: 4.541 HB :: 2.189 HG11 :: 0.998 HG12 :: 0.998 HG13 :: 0.998 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 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 :: 121.314 Ave N Shift Values>> N :: 121.14(4.54) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 C 0.2 R 0.01 C Shift Assignments>> CA :: 53.336 CB :: 41.760 CG :: 27.227 CD1 :: 24.096 CD2 :: 25.096 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 :: 8.391 HA :: 4.534 HB2 :: 1.626 HB3 :: 1.713 HG :: 0.978 HD11 :: 0.966 HD12 :: 0.966 HD13 :: 0.966 HD21 :: 0.967 HD22 :: 0.967 HD23 :: 0.967 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 :: 123.741 Ave N Shift Values>> N :: 121.86(3.9) 1.P29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> CA :: 62.737 CB :: 32.146 CG :: 27.336 CD :: 50.476 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 :: 4.449 HB2 :: 2.275 HB3 :: 2.019 HG2 :: 2.026 HG3 :: 1.950 HD2 :: 3.688 HD3 :: 3.893 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.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.28 C 0.26 E 0.09 R 0.03 C Shift Assignments>> CA :: 56.747 CB :: 29.173 CG :: 33.930 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 :: 8.717 HA :: 4.285 HB2 :: 2.150 HB3 :: 2.020 HG2 :: 2.432 HG3 :: 2.423 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 :: 120.793 Ave N Shift Values>> N :: 120.67(3.48) 1.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> CA :: 61.913 CB :: 69.718 CG2 :: 21.428 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 :: 8.016 HA :: 4.326 HB :: 4.238 HG21 :: 1.220 HG22 :: 1.220 HG23 :: 1.220 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 :: 112.713 Ave N Shift Values>> N :: 115.42(4.75) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.213 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.483 HA2 :: 4.137 HA3 :: 3.919 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.525 Ave N Shift Values>> N :: 109.67(3.87) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> CA :: 45.131 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.396 HA2 :: 4.105 HA3 :: 4.092 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.205 Ave N Shift Values>> N :: 109.67(3.87) 1.G34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.05 C 0.03 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.821 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.430 HA2 :: 4.078 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 :: 108.319 Ave N Shift Values>> N :: 109.67(3.87) ########################################################################### Overall Results: #Consistent: 27 #Clerical: 0 #Suspicious: 1 #Anomalous: 5 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 33 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 33 #Suspicious: 0 C Shift Results: #Consistent: 87 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 210 #Duplicate: 0 #Unknown: 9 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 36 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 5 Error Summary: 1.R2 NE = 121.191(A), Expected = 84.63, Std = 1.6800, ChiSquare = 0.0000e+00 1.K7 CD = 24.786(S), Expected = 28.96, Std = 1.0800, ChiSquare = 1.1117e-04 1.K7 HZ1 = 7.574(U) 1.K7 HZ2 = 7.574(U) 1.K7 HZ3 = 7.574(U) 1.K7 NZ = 113.011(A), Expected = 33.81, Std = 2.8100, ChiSquare = 0.0000e+00 1.R18 NE = 120.257(A), Expected = 84.63, Std = 1.6800, ChiSquare = 0.0000e+00 1.K19 HZ1 = 7.858(U) 1.K19 HZ2 = 7.858(U) 1.K19 HZ3 = 7.858(U) 1.K19 NZ = 121.189(A), Expected = 33.81, Std = 2.8100, ChiSquare = 0.0000e+00 1.R22 HG3 = 0.538(S), Expected = 1.54, Std = 0.2900, ChiSquare = 5.4994e-04 1.R22 NE = 119.731(A), Expected = 84.63, Std = 1.6800, ChiSquare = 0.0000e+00 1.K25 CD = 24.766(S), Expected = 28.96, Std = 1.0800, ChiSquare = 1.0303e-04 1.K25 HZ1 = 7.498(U) 1.K25 HZ2 = 7.498(U) 1.K25 HZ3 = 7.498(U)