Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 55.852 CB :: 61.525 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.268 HB2 :: 3.611 HB3 :: 3.677 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) 1.M3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 Q 0.22 R 0.17 M 0.09 C Shift Assignments>> CA :: 53.379 CB :: 31.959 CG :: 29.204 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.378 HA :: 4.366 HB2 :: 1.926 HG2 :: 2.483 HG3 :: 2.498 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.359 Ave N Shift Values>> N :: 120.09(3.57) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 K 0.14 V 0.02 L 0.01 M 0.01 C Shift Assignments>> CA :: 53.183 CB :: 30.552 CG :: 22.512 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 :: 8.738 HA :: 4.530 HB2 :: 1.669 HB3 :: 2.102 HG2 :: 1.471 HG3 :: 1.566 HE2 :: 2.968 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.941 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 Q 0.24 R 0.21 I 0.1 M 0.05 K 0.04 V 0.02 C Shift Assignments>> CA :: 58.370 CB :: 29.367 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.131 HA :: 3.722 HB2 :: 1.838 HB3 :: 1.754 HG2 :: 1.382 HG3 :: 1.277 HD2 :: 1.656 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.368 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 Q 0.27 R 0.17 E 0.02 I 0.02 C Shift Assignments>> CA :: 57.548 CB :: 26.088 CG :: 34.013 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 :: 9.364 HA :: 3.879 HB2 :: 1.970 HB3 :: 1.832 HG2 :: 2.312 HG3 :: 2.239 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 :: 116.651 Ave N Shift Values>> N :: 120.67(3.48) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.31 Q 0.17 K 0.08 E 0.07 I 0.03 M 0.01 C Shift Assignments>> CA :: 55.816 CB :: 27.210 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 :: 6.969 HA :: 4.134 HB2 :: 2.000 HB3 :: 2.235 HG2 :: 2.484 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 :: 118.805 Ave N Shift Values>> N :: 120.67(3.48) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.33 N 0.27 D 0.18 L 0.08 I 0.05 E 0.04 M 0.02 C Shift Assignments>> CA :: 55.770 CB :: 38.659 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 :: 7.710 HA :: 3.971 HB2 :: 1.837 HB3 :: 1.583 HG :: 1.488 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.726 HD22 :: 0.726 HD23 :: 0.726 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 :: 121.104 Ave N Shift Values>> N :: 121.86(3.9) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 I 0.4 Y 0.02 C Shift Assignments>> CA :: 64.190 CB :: 35.489 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 :: 8.336 HA :: 3.337 HB :: 1.822 HG12 :: 0.892 HG13 :: 1.195 HG21 :: 0.813 HG22 :: 0.813 HG23 :: 0.813 HD11 :: 0.695 HD12 :: 0.695 HD13 :: 0.695 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 :: 118.309 Ave N Shift Values>> N :: 121.46(4.28) 1.D10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 Y 0.28 D 0.12 E 0.11 M 0.04 L 0.04 I 0.04 HN Overlap>> 1.V22 1.V22 C Shift Assignments>> CA :: 55.407 CB :: 38.017 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 :: 7.784 HA :: 4.355 HB2 :: 2.625 HB3 :: 2.773 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 :: 118.979 Ave N Shift Values>> N :: 120.65(3.86) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 R 0.25 Q 0.21 M 0.11 K 0.1 I 0.02 V 0.02 C Shift Assignments>> CA :: 57.264 CB :: 30.309 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 :: 8.063 HA :: 4.054 HB2 :: 1.977 HB3 :: 1.754 HG2 :: 1.484 HG3 :: 1.484 HD2 :: 1.504 HD3 :: 1.730 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 :: 120.211 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 62.982 CB :: 34.629 CG1 :: 26.322 CD1 :: 10.308 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 :: 8.248 HA :: 3.606 HB :: 1.771 HG12 :: 0.975 HG13 :: 1.488 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 HD11 :: 0.671 HD12 :: 0.671 HD13 :: 0.671 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 :: 121.355 Ave N Shift Values>> N :: 121.46(4.28) 1.K13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.28 R 0.24 Q 0.19 M 0.09 K 0.09 I 0.04 V 0.03 C Shift Assignments>> CA :: 58.186 CB :: 30.220 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 :: 8.935 HA :: 3.832 HB2 :: 1.968 HB3 :: 1.763 HG2 :: 1.363 HG3 :: 1.472 HD2 :: 1.654 HD3 :: 1.759 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 :: 120.666 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.41 C Shift Assignments>> CA :: 52.741 CB :: 15.239 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.145 HA :: 3.999 HB1 :: 1.475 HB2 :: 1.475 HB3 :: 1.475 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.000 Ave N Shift Values>> N :: 123.23(3.54) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.33 N 0.19 E 0.15 Q 0.14 K 0.11 Y 0.03 R 0.01 C Shift Assignments>> CA :: 53.135 CB :: 35.338 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 :: 7.799 HA :: 4.476 HB2 :: 3.026 HB3 :: 2.644 HD21 :: 7.703 HD22 :: 5.975 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.259 ND2 :: 106.392 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 Q 0.24 K 0.15 N 0.07 E 0.07 R 0.03 Y 0.01 C Shift Assignments>> CA :: 52.943 CB :: 34.653 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 :: 8.523 HA :: 4.393 HB2 :: 2.984 HB3 :: 2.692 HD21 :: 7.156 HD22 :: 5.684 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.556 ND2 :: 107.478 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 K 0.29 I 0.15 R 0.03 C Shift Assignments>> CA :: 57.317 CB :: 27.363 CD :: 41.304 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 :: 8.183 HA :: 4.070 HB2 :: 1.958 HB3 :: 1.891 HG2 :: 1.535 HD2 :: 2.991 HD3 :: 2.637 HE :: 7.150 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 :: 120.967 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.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.31 Y 0.27 D 0.23 L 0.1 I 0.03 E 0.01 M 0.01 HN Overlap>> 1.Y39 1.Y39 C Shift Assignments>> CA :: 55.362 CB :: 38.960 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 :: 7.667 HA :: 4.132 HB2 :: 1.993 HB3 :: 1.493 HG :: 1.311 HD11 :: 0.854 HD12 :: 0.854 HD13 :: 0.854 HD21 :: 1.045 HD22 :: 1.045 HD23 :: 1.045 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 :: 121.594 Ave N Shift Values>> N :: 121.86(3.9) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 Y 0.27 D 0.15 E 0.06 L 0.05 I 0.03 M 0.03 C Shift Assignments>> CA :: 55.249 CB :: 38.283 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 :: 8.143 HA :: 3.947 HB2 :: 1.924 HB3 :: 1.295 HD11 :: 0.816 HD12 :: 0.816 HD13 :: 0.816 HD21 :: 1.049 HD22 :: 1.049 HD23 :: 1.049 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 :: 118.574 Ave N Shift Values>> N :: 121.86(3.9) 1.N20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 N 0.22 E 0.18 Q 0.11 K 0.09 Y 0.04 R 0.01 C Shift Assignments>> CA :: 53.358 CB :: 35.556 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 :: 8.375 HA :: 4.370 HB2 :: 2.779 HB3 :: 3.093 HD21 :: 7.611 HD22 :: 6.745 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 :: 116.940 ND2 :: 112.082 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.41 C Shift Assignments>> CA :: 52.653 CB :: 15.140 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.901 HA :: 4.157 HB1 :: 1.550 HB2 :: 1.550 HB3 :: 1.550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.156 Ave N Shift Values>> N :: 123.23(3.54) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 I 0.04 HN Overlap>> 1.D10 1.D10 C Shift Assignments>> CA :: 63.733 CB :: 28.973 CG1 :: 18.875 CG2 :: 20.225 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 :: 7.739 HA :: 3.944 HB :: 2.344 HG11 :: 0.946 HG12 :: 0.946 HG13 :: 0.946 HG21 :: 1.069 HG22 :: 1.069 HG23 :: 1.069 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 :: 118.939 Ave N Shift Values>> N :: 121.14(4.54) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> CA :: 64.677 CB :: 28.950 CG1 :: 19.436 CG2 :: 21.242 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 :: 7.643 HA :: 3.368 HB :: 2.135 HG11 :: 0.905 HG12 :: 0.905 HG13 :: 0.905 HG21 :: 1.039 HG22 :: 1.039 HG23 :: 1.039 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 :: 119.035 Ave N Shift Values>> N :: 121.14(4.54) 1.Q24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 K 0.34 R 0.18 Q 0.06 I 0.02 E 0.01 C Shift Assignments>> CA :: 56.313 CB :: 25.620 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 :: 8.230 HA :: 4.036 HB2 :: 2.119 HB3 :: 2.397 HE21 :: 6.824 HE22 :: 7.311 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 :: 116.862 NE2 :: 111.872 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.26 Q 0.14 I 0.09 K 0.08 E 0.06 HN Overlap>> 1.I55 1.I55 C Shift Assignments>> CA :: 57.395 CB :: 26.839 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 :: 8.005 HA :: 4.018 HB2 :: 2.399 HG2 :: 2.585 HG3 :: 2.445 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 :: 118.323 Ave N Shift Values>> N :: 120.67(3.48) 1.M26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.25 R 0.22 Q 0.21 K 0.16 M 0.08 I 0.03 V 0.01 C Shift Assignments>> CA :: 57.523 CB :: 29.936 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.469 HA :: 4.117 HB2 :: 2.032 HB3 :: 1.507 HG2 :: 2.410 HG3 :: 2.594 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.188 Ave N Shift Values>> N :: 120.09(3.57) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.31 M 0.14 K 0.13 Q 0.11 V 0.09 Y 0.09 I 0.08 R 0.01 C Shift Assignments>> CA :: 59.002 CB :: 35.293 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 :: 7.969 HA :: 4.036 HB2 :: 3.031 HB3 :: 2.907 HD1 :: 7.093 HD2 :: 7.093 HE1 :: 6.639 HE2 :: 6.639 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 :: 115.357 Ave N Shift Values>> N :: 120.52(4.2) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.35 L 0.11 Y 0.04 C Shift Assignments>> CA :: 52.034 CB :: 40.120 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 :: 7.318 HA :: 4.379 HB2 :: 1.727 HB3 :: 1.669 HG :: 1.511 HD11 :: 0.863 HD12 :: 0.863 HD13 :: 0.863 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 :: 118.553 Ave N Shift Values>> N :: 121.86(3.9) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.83 D 0.08 Y 0.03 M 0.01 L 0.01 C Shift Assignments>> CA :: 51.113 CB :: 37.918 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 :: 7.287 HA :: 4.502 HB2 :: 3.318 HB3 :: 2.800 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 :: 120.731 Ave N Shift Values>> N :: 120.65(3.86) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 M 0.26 E 0.09 Q 0.06 K 0.05 Y 0.03 C Shift Assignments>> CA :: 51.713 CB :: 35.668 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 :: 8.591 HA :: 4.619 HB2 :: 2.842 HD21 :: 7.560 HD22 :: 6.883 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 :: 124.083 ND2 :: 112.973 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.286 CB :: 61.043 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.936 HA :: 4.390 HB2 :: 4.027 HB3 :: 3.867 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 116.457 Ave N Shift Values>> N :: 116.28(3.52) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.43 N 0.24 L 0.21 K 0.05 Y 0.02 R 0.01 C Shift Assignments>> CA :: 51.069 CB :: 41.486 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 :: 7.083 HA :: 4.496 HB2 :: 1.728 HB3 :: 1.310 HG :: 1.637 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 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 :: 121.938 Ave N Shift Values>> N :: 121.86(3.9) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.62 D 0.26 L 0.06 Y 0.03 C Shift Assignments>> CA :: 51.505 CB :: 39.531 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 :: 8.595 HA :: 4.494 HB2 :: 2.818 HB3 :: 2.700 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 :: 123.584 Ave N Shift Values>> N :: 120.65(3.86) 1.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 I 0.33 E 0.06 Y 0.06 K 0.02 M 0.01 Q 0.01 C Shift Assignments>> CA :: 62.220 CB :: 35.315 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 :: 3.638 HB :: 1.789 HG12 :: 1.528 HG13 :: 1.368 HG21 :: 1.216 HG22 :: 1.216 HG23 :: 1.216 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 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 :: 123.865 Ave N Shift Values>> N :: 121.46(4.28) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 E 0.27 R 0.22 M 0.06 I 0.04 K 0.03 L 0.02 C Shift Assignments>> CA :: 56.824 CB :: 29.136 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 :: 8.159 HA :: 4.089 HB2 :: 1.765 HB3 :: 1.835 HG2 :: 1.341 HG3 :: 1.475 HD2 :: 1.613 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 :: 119.630 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.61 S 0.38 C Shift Assignments>> CA :: 63.639 CB :: 65.645 CG2 :: 20.177 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 :: 7.727 HA :: 3.844 HB :: 4.119 HG21 :: 1.317 HG22 :: 1.317 HG23 :: 1.317 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 :: 118.123 Ave N Shift Values>> N :: 115.42(4.75) 1.R37 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> L 0.52 K 0.45 R 0.01 C Shift Assignments>> CA :: 57.454 CB :: 27.873 CG :: 23.713 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.444 HA :: 3.706 HB2 :: 1.766 HB3 :: 1.346 HG2 :: 1.299 HG3 :: 1.422 HD2 :: 2.994 HD3 :: 2.794 HE :: 6.649 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 :: 120.726 NE :: 118.803(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.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 Y 0.19 E 0.11 D 0.09 M 0.05 L 0.03 I 0.02 C Shift Assignments>> CA :: 54.717 CB :: 37.733 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 :: 8.204 HA :: 4.353 HB2 :: 2.723 HB3 :: 2.633 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 :: 116.740 Ave N Shift Values>> N :: 120.65(3.86) 1.Y39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 M 0.14 K 0.13 Q 0.11 Y 0.09 V 0.08 I 0.08 R 0.01 HN Overlap>> 1.L18 1.L18 C Shift Assignments>> CA :: 58.927 CB :: 35.308 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 :: 7.737 HA :: 4.109 HB2 :: 2.809 HB3 :: 3.026 HD1 :: 6.996 HD2 :: 6.996 HE1 :: 6.824 HE2 :: 6.824 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 :: 121.601 Ave N Shift Values>> N :: 120.52(4.2) 1.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 I 0.14 V 0.14 K 0.1 Y 0.1 M 0.1 Q 0.08 R 0.01 C Shift Assignments>> CA :: 59.720 CB :: 35.369 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 :: 8.110 HA :: 3.963 HB2 :: 2.760 HB3 :: 2.626 HD1 :: 6.563 HD2 :: 6.563 HE1 :: 6.344 HE2 :: 6.344 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 :: 118.067 Ave N Shift Values>> N :: 120.52(4.2) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.42 C Shift Assignments>> CA :: 53.232 CB :: 16.009 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.018 HA :: 3.879 HB1 :: 1.338 HB2 :: 1.338 HB3 :: 1.338 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.292 Ave N Shift Values>> N :: 123.23(3.54) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.19 Y 0.16 I 0.13 V 0.09 T 0.09 E 0.08 K 0.06 R 0.06 Q 0.04 M 0.03 L 0.01 C Shift Assignments>> CA :: 59.578 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.174 HA :: 4.114 HB2 :: 3.930 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 :: 114.823 Ave N Shift Values>> N :: 116.28(3.52) 1.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 N 0.24 E 0.24 K 0.08 Q 0.07 Y 0.06 C Shift Assignments>> CA :: 53.843 CB :: 35.875 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 :: 7.259 HA :: 4.417 HB2 :: 2.365 HB3 :: 2.545 HD21 :: 6.771 HD22 :: 7.357 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 :: 121.458 ND2 :: 111.534 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 63.023 CB :: 34.929 CG2 :: 17.638 CD1 :: 10.791 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 :: 8.291 HA :: 3.493 HB :: 1.727 HG12 :: 1.039 HG13 :: 1.328 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 HD11 :: 0.652 HD12 :: 0.652 HD13 :: 0.652 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 :: 120.064 Ave N Shift Values>> N :: 121.46(4.28) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.63 T 0.36 C Shift Assignments>> CA :: 64.897 CB :: 65.578 CG2 :: 18.794 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 :: 8.690 HA :: 3.779 HB :: 4.332 HG21 :: 1.165 HG22 :: 1.165 HG23 :: 1.165 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 :: 118.404 Ave N Shift Values>> N :: 115.42(4.75) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.18 I 0.16 Y 0.15 T 0.11 V 0.11 E 0.06 K 0.05 R 0.05 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.887 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.799 HA :: 4.217 HB2 :: 3.918 HB3 :: 3.974 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 :: 117.343 Ave N Shift Values>> N :: 116.28(3.52) 1.V47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 V 0.1 C Shift Assignments>> CA :: 63.682 CB :: 28.529 CG2 :: 19.167 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 :: 7.234 HA :: 3.625 HB :: 2.240 HG11 :: 0.843 HG12 :: 0.843 HG13 :: 0.843 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 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 :: 121.607 Ave N Shift Values>> N :: 121.14(4.54) 1.R48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 L 0.32 Q 0.1 I 0.09 E 0.03 R 0.01 C Shift Assignments>> CA :: 57.482 CB :: 25.830 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 :: 8.071 HA :: 3.962 HB2 :: 2.172 HB3 :: 1.655 HG2 :: 1.518 HG3 :: 1.657 HD2 :: 3.039 HD3 :: 3.119 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 :: 124.467 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.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 L 0.36 R 0.13 Q 0.04 I 0.03 E 0.01 C Shift Assignments>> CA :: 56.628 CB :: 25.372 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 :: 8.985 HA :: 4.084 HB2 :: 2.035 HB3 :: 2.237 HG2 :: 2.377 HG3 :: 2.469 HE21 :: 7.293 HE22 :: 6.772 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.792 NE2 :: 111.052 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 E 0.18 N 0.17 Q 0.13 K 0.11 Y 0.04 R 0.01 C Shift Assignments>> CA :: 53.509 CB :: 35.398 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 :: 8.087 HA :: 4.445 HB2 :: 3.145 HB3 :: 2.853 HD21 :: 7.459 HD22 :: 6.788 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.050 ND2 :: 109.497 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.19 R 0.06 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.795 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.197 HA2 :: 3.659 HA3 :: 4.081 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.641 Ave N Shift Values>> N :: 109.67(3.87) 1.D52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 Y 0.23 E 0.18 M 0.07 D 0.07 I 0.03 L 0.02 K 0.01 C Shift Assignments>> CA :: 55.156 CB :: 37.529 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 :: 8.411 HA :: 4.404 HB2 :: 2.868 HB3 :: 2.568 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 :: 122.825 Ave N Shift Values>> N :: 120.65(3.86) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.35 K 0.34 R 0.17 Q 0.06 I 0.02 E 0.01 C Shift Assignments>> CA :: 56.347 CB :: 25.610 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 :: 7.899 HA :: 4.073 HB2 :: 2.203 HB3 :: 2.336 HG2 :: 2.526 HG3 :: 2.864 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 :: 120.424 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.49 I 0.42 Y 0.04 E 0.02 C Shift Assignments>> CA :: 63.435 CB :: 35.521 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 :: 7.704 HA :: 3.478 HB :: 2.071 HG12 :: 1.503 HG13 :: 1.574 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 HD11 :: 0.720 HD12 :: 0.720 HD13 :: 0.720 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 :: 119.759 Ave N Shift Values>> N :: 121.46(4.28) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 I 0.29 Y 0.02 E 0.01 HN Overlap>> 1.E25 1.E25 C Shift Assignments>> CA :: 63.606 CB :: 35.126 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 :: 7.903 HA :: 3.347 HB :: 1.962 HG12 :: 0.941 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 HD11 :: 0.719 HD12 :: 0.719 HD13 :: 0.719 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 :: 118.339 Ave N Shift Values>> N :: 121.46(4.28) 1.Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 L 0.34 R 0.16 Q 0.05 I 0.03 E 0.01 C Shift Assignments>> CA :: 56.754 CB :: 25.506 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 :: 7.734 HA :: 4.015 HB2 :: 2.101 HB3 :: 1.963 HG2 :: 2.292 HG3 :: 2.403 HE21 :: 7.531 HE22 :: 6.679 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 :: 117.895 NE2 :: 111.759 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> CA :: 62.068 CB :: 35.530 CG1 :: 26.058 CD1 :: 10.840 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 :: 7.742 HA :: 3.790 HB :: 1.829 HG12 :: 1.122 HG21 :: 0.903 HG22 :: 0.903 HG23 :: 0.903 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 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 :: 118.702 Ave N Shift Values>> N :: 121.46(4.28) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.22 Y 0.2 L 0.18 I 0.01 K 0.01 C Shift Assignments>> CA :: 55.184 CB :: 39.876 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 :: 8.283 HA :: 3.875 HB2 :: 1.149 HB3 :: 1.927 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 HD21 :: 0.906 HD22 :: 0.906 HD23 :: 0.906 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 :: 119.865 Ave N Shift Values>> N :: 121.86(3.9) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.5 D 0.26 Y 0.11 L 0.08 C Shift Assignments>> CA :: 53.741 CB :: 39.150 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 :: 8.545 HA :: 4.376 HB2 :: 2.650 HB3 :: 2.200 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 :: 118.415 Ave N Shift Values>> N :: 120.65(3.86) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.24 R 0.22 K 0.19 L 0.16 E 0.12 M 0.02 I 0.02 C Shift Assignments>> CA :: 55.560 CB :: 28.068 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 :: 7.996 HA :: 4.137 HB2 :: 2.049 HB3 :: 1.985 HG2 :: 2.429 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.526 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>> Q 0.26 K 0.21 R 0.18 L 0.16 E 0.11 M 0.04 I 0.01 C Shift Assignments>> CA :: 54.154 CB :: 28.349 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 :: 8.545 HA :: 4.397 HB2 :: 2.008 HB3 :: 2.197 HG2 :: 2.415 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.754 Ave N Shift Values>> N :: 120.67(3.48) 1.G62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 K 0.2 R 0.17 D 0.13 Y 0.06 I 0.02 G 0.01 N 0.01 C Shift Assignments>> CA :: 42.452 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.088 HA2 :: 4.118 HA3 :: 3.869 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.802 Ave N Shift Values>> N :: 109.67(3.87) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.36 L 0.28 K 0.25 E 0.07 C Shift Assignments>> CA :: 56.589 CB :: 37.498 CG1 :: 25.069 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 :: 8.114 HA :: 4.630 HB :: 1.649 HG12 :: 1.002 HG13 :: 1.407 HG21 :: 0.806 HG22 :: 0.806 HG23 :: 0.806 HD11 :: 0.734 HD12 :: 0.734 HD13 :: 0.734 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.765 Ave N Shift Values>> N :: 121.46(4.28) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 M 0.07 G 0.04 C Shift Assignments>> CA :: 49.121 CB :: 17.430 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.372 HA :: 4.368 HB1 :: 1.264 HB2 :: 1.264 HB3 :: 1.264 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.832 Ave N Shift Values>> N :: 123.23(3.54) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.22 R 0.18 E 0.14 L 0.11 M 0.03 I 0.02 C Shift Assignments>> CA :: 55.745 CB :: 28.331 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 :: 8.041 HA :: 4.037 HB2 :: 1.886 HB3 :: 2.000 HG2 :: 2.203 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 :: 125.760 Ave N Shift Values>> N :: 120.67(3.48) ########################################################################### Overall Results: #Consistent: 64 #Clerical: 0 #Suspicious: 0 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 64 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 65 #Suspicious: 0 C Shift Results: #Consistent: 143 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 438 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 72 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 Error Summary: 1.R37 NE = 118.803(A), Expected = 84.63, Std = 1.6800, ChiSquare = 0.0000e+00