Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.39 L 0.29 G 0.08 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> CA :: 43.479 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.003 HA3 :: 4.003 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.P2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> CA :: 63.242 CB :: 32.438 CG :: 27.139 CD :: 49.729 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 :: 4.496 HB2 :: 1.977 HB3 :: 2.336 HG2 :: 1.998 HG3 :: 2.031 HD2 :: 3.589 HD3 :: 3.609 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.31 R 0.05 G 0.01 A 0.01 HN Overlap>> 1.E6 1.E6 C Shift Assignments>> CA :: 55.619 CB :: 42.164 CG :: 27.525 CD1 :: 24.995 CD2 :: 23.697 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 :: 8.649 HA :: 4.397 HB2 :: 1.644 HB3 :: 1.667 HG :: 1.826 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 HD21 :: 0.910 HD22 :: 0.910 HD23 :: 0.910 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 :: 122.886 Ave N Shift Values>> N :: 121.86(3.9) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> CA :: 45.373 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.587 HA2 :: 3.976 HA3 :: 4.119 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.356 Ave N Shift Values>> N :: 109.67(3.87) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.321 CB :: 64.288 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.178 HA :: 4.522 HB2 :: 3.870 HB3 :: 3.961 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 :: 116.544 Ave N Shift Values>> N :: 116.28(3.52) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 K 0.07 M 0.06 Q 0.05 I 0.04 HN Overlap>> 1.L3 1.L3 C Shift Assignments>> CA :: 57.264 CB :: 29.932 CG :: 36.268 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 :: 8.730 HA :: 4.278 HB2 :: 1.959 HB3 :: 2.098 HG2 :: 2.298 HG3 :: 2.298 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 :: 122.843 Ave N Shift Values>> N :: 120.67(3.48) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.24 K 0.14 F 0.08 N 0.07 Y 0.06 C 0.05 R 0.02 C Shift Assignments>> CA :: 54.359 CB :: 41.459 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 :: 8.195 HA :: 4.636 HB2 :: 2.555 HB3 :: 2.731 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 :: 120.371 Ave N Shift Values>> N :: 120.65(3.86) 1.D8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.25 L 0.16 F 0.06 C 0.05 Y 0.04 K 0.03 HN Overlap>> 1.A65 1.A65 1.S35 1.S35 C Shift Assignments>> CA :: 52.820 CB :: 40.742 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 :: 8.138 HA :: 4.892 HB2 :: 2.540 HB3 :: 2.732 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 :: 122.308 Ave N Shift Values>> N :: 120.65(3.86) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.71 C 0.28 C Shift Assignments>> CA :: 62.877 CB :: 32.158 CG :: 27.283 CD :: 50.529 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 :: 4.464 HB2 :: 1.854 HB3 :: 2.243 HG2 :: 2.018 HG3 :: 2.017 HD2 :: 3.715 HD3 :: 3.776 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.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 HN Overlap>> 1.K70 1.L89 1.D12 1.K70 1.L89 1.D12 C Shift Assignments>> CA :: 58.687 CB :: 39.350 CG1 :: 27.756 CG2 :: 16.957 CD1 :: 13.161 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 :: 8.194 HA :: 4.027 HB :: 1.549 HG12 :: 0.944 HG13 :: 1.489 HG21 :: 0.509 HG22 :: 0.509 HG23 :: 0.509 HD11 :: 0.690 HD12 :: 0.690 HD13 :: 0.690 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 :: 123.735 Ave N Shift Values>> N :: 121.46(4.28) 1.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 63.397 CB :: 32.479 CG :: 27.479 CD :: 51.404 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 :: 4.198 HB2 :: 1.562 HB3 :: 2.311 HG2 :: 1.732 HG3 :: 1.864 HD2 :: 2.683 HD3 :: 3.722 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.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 K 0.21 Y 0.16 L 0.14 C 0.08 D 0.08 I 0.03 R 0.03 HN Overlap>> 1.I10 1.K70 1.L89 1.I10 1.K70 1.L89 C Shift Assignments>> CA :: 57.715 CB :: 41.397 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 :: 8.254 HA :: 4.069 HB2 :: 2.523 HB3 :: 2.523 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 :: 123.732 Ave N Shift Values>> N :: 120.65(3.86) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.3 K 0.15 Q 0.11 I 0.06 M 0.01 C Shift Assignments>> CA :: 57.204 CB :: 28.801 CG :: 35.823 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 :: 9.685 HA :: 4.024 HB2 :: 2.336 HB3 :: 2.411 HG2 :: 2.121 HG3 :: 2.280 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 :: 117.472 Ave N Shift Values>> N :: 120.67(3.48) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 A 0.32 C 0.29 R 0.02 C Shift Assignments>> CA :: 53.789 CB :: 41.172 CG :: 27.260 CD1 :: 21.801 CD2 :: 25.913 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 :: 7.434 HA :: 4.210 HB2 :: 1.274 HB3 :: 1.457 HG :: 1.293 HD11 :: 0.529 HD12 :: 0.529 HD13 :: 0.529 HD21 :: 0.358 HD22 :: 0.358 HD23 :: 0.358 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 :: 114.466 Ave N Shift Values>> N :: 121.86(3.9) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.16 G 0.15 A 0.04 R 0.01 C Shift Assignments>> CA :: 53.713 CB :: 43.602 CG :: 25.719 CD1 :: 25.536 CD2 :: 23.462 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 :: 7.182 HA :: 4.237 HB2 :: 0.985 HB3 :: 1.678 HG :: 1.446 HD11 :: 0.726 HD12 :: 0.726 HD13 :: 0.726 HD21 :: 0.518 HD22 :: 0.518 HD23 :: 0.518 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 :: 119.188 Ave N Shift Values>> N :: 121.86(3.9) 1.C16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 V 0.19 K 0.12 Q 0.11 M 0.08 E 0.03 R 0.03 H 0.02 I 0.02 Y 0.01 C Shift Assignments>> CA :: 59.815 CB :: 34.011 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.922 HA :: 4.261 HB2 :: 3.213 HB3 :: 3.732 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 :: 128.041 Ave N Shift Values>> N :: 120.17(4.64) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.35 R 0.11 G 0.05 C Shift Assignments>> CA :: 57.488 CB :: 43.161 CG :: 27.398 CD1 :: 25.335 CD2 :: 23.126 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 :: 7.782 HA :: 4.155 HB2 :: 1.722 HB3 :: 1.840 HG :: 1.932 HD11 :: 0.919 HD12 :: 0.919 HD13 :: 0.919 HD21 :: 0.925 HD22 :: 0.925 HD23 :: 0.925 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 :: 128.965 Ave N Shift Values>> N :: 121.86(3.9) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 C 0.14 C Shift Assignments>> CA :: 64.532 CB :: 39.516 CG1 :: 28.242 CG2 :: 16.553 CD1 :: 14.344 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 :: 9.382 HA :: 4.110 HB :: 1.886 HG12 :: 1.040 HG13 :: 1.714 HG21 :: 0.969 HG22 :: 0.969 HG23 :: 0.969 HD11 :: 0.486 HD12 :: 0.486 HD13 :: 0.486 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 :: 121.644 Ave N Shift Values>> N :: 121.46(4.28) 1.C19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.16 R 0.11 K 0.1 E 0.09 H 0.09 M 0.07 Q 0.04 P 0.02 I 0.01 C Shift Assignments>> CA :: 59.794 CB :: 31.616 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.529 HA :: 4.731 HB2 :: 3.211 HB3 :: 3.211 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.844 Ave N Shift Values>> N :: 120.17(4.64) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.3 K 0.18 L 0.03 G 0.02 C Shift Assignments>> CA :: 57.191 CB :: 28.759 CG :: 24.909 CD :: 28.683 CE :: 42.562 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 :: 7.896 HA :: 4.014 HB2 :: 2.005 HB3 :: 2.139 HG2 :: 1.271 HG3 :: 1.356 HD2 :: 1.596 HD3 :: 1.663 HE2 :: 2.993 HE3 :: 2.989 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 :: 117.424 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.09 D 0.03 R 0.02 C 0.02 C Shift Assignments>> CA :: 51.048 CB :: 44.411 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 :: 8.286 HA :: 4.985 HB2 :: 2.569 HB3 :: 2.949 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 :: 122.035 Ave N Shift Values>> N :: 120.65(3.86) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.41 C Shift Assignments>> CA :: 61.591 CB :: 38.709 CG1 :: 29.496 CG2 :: 17.056 CD1 :: 15.378 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 :: 9.304 HA :: 4.105 HB :: 1.549 HG12 :: 1.200 HG13 :: 1.545 HG21 :: 0.915 HG22 :: 0.915 HG23 :: 0.915 HD11 :: 0.819 HD12 :: 0.819 HD13 :: 0.819 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 :: 122.320 Ave N Shift Values>> N :: 121.46(4.28) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 M 0.19 A 0.05 C Shift Assignments>> CA :: 57.627 CB :: 35.740 CG :: 33.564 CE :: 19.210 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 :: 7.821 HA :: 5.041 HB2 :: 1.348 HB3 :: 1.813 HG2 :: 2.420 HG3 :: 2.633 HE1 :: 1.653 HE2 :: 1.653 HE3 :: 1.653 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 :: 124.632 Ave N Shift Values>> N :: 120.09(3.57) 1.T24 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 :: 61.951 CB :: 69.549 CG2 :: 21.608 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 :: 9.011 HA :: 4.521 HB :: 4.170 HG21 :: 1.249 HG22 :: 1.249 HG23 :: 1.249 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 :: 125.509 Ave N Shift Values>> N :: 115.42(4.75) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.2 D 0.19 Y 0.17 F 0.17 C 0.11 L 0.08 I 0.01 C Shift Assignments>> CA :: 55.282 CB :: 39.266 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 :: 9.068 HA :: 4.100 HB2 :: 2.729 HB3 :: 2.840 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 :: 130.395 Ave N Shift Values>> N :: 120.65(3.86) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 L 0.32 C 0.1 M 0.01 V 0.01 C Shift Assignments>> CA :: 53.554 CB :: 21.597 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.308 HA :: 4.476 HB1 :: 1.297 HB2 :: 1.297 HB3 :: 1.297 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.827 Ave N Shift Values>> N :: 123.23(3.54) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 V 0.25 C Shift Assignments>> CA :: 58.936 CB :: 35.982 CG1 :: 21.329 CG2 :: 20.731 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 :: 9.399 HA :: 5.186 HB :: 1.972 HG11 :: 1.022 HG12 :: 1.022 HG13 :: 1.022 HG21 :: 0.986 HG22 :: 0.986 HG23 :: 0.986 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 :: 119.480 Ave N Shift Values>> N :: 121.14(4.54) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 V 0.34 C Shift Assignments>> CA :: 59.234 CB :: 35.280 CG1 :: 22.308 CG2 :: 21.063 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 :: 9.447 HA :: 5.087 HB :: 1.823 HG11 :: 0.884 HG12 :: 0.884 HG13 :: 0.884 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 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 :: 119.654 Ave N Shift Values>> N :: 121.14(4.54) 1.I29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.59 G 0.3 A 0.09 C Shift Assignments>> CA :: 57.028 CB :: 44.341 CG1 :: 30.597 CG2 :: 19.510 CD1 :: 15.042 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 :: 8.615 HA :: 5.108 HB :: 1.686 HG12 :: 1.519 HG13 :: 2.422 HG21 :: 1.732(S) HG22 :: 1.732(S) HG23 :: 1.732(S) HD11 :: 1.142 HD12 :: 1.142 HD13 :: 1.142 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 :: 129.312 Ave N Shift Values>> N :: 121.46(4.28) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 64.947 CB :: 32.349 CG :: 27.821 CD :: 51.333 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 :: 4.392 HB2 :: 2.090 HB3 :: 2.260 HG2 :: 2.077 HG3 :: 2.045 HD2 :: 3.710 HD3 :: 3.790 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.C31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.17 H 0.15 E 0.15 C 0.13 R 0.12 M 0.03 I 0.02 L 0.01 C Shift Assignments>> CA :: 56.806 CB :: 29.134 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.488 HA :: 4.255 HB2 :: 2.717 HB3 :: 2.834 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 :: 123.111 Ave N Shift Values>> N :: 120.17(4.64) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.18 M 0.17 R 0.14 H 0.12 E 0.09 Q 0.06 V 0.03 C Shift Assignments>> CA :: 57.115 CB :: 32.084 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.308 HA :: 4.979 HB2 :: 2.756 HB3 :: 3.012 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 :: 116.576 Ave N Shift Values>> N :: 120.17(4.64) 1.G33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> CA :: 47.202 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.098 HA2 :: 3.899 HA3 :: 4.343 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.249 Ave N Shift Values>> N :: 109.67(3.87) 1.N34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Suspicious PRTL>> D 0.28 L 0.21 F 0.12 K 0.1 Y 0.1 N 0.08 C 0.06 C Shift Assignments>> CA :: 55.047 CB :: 40.946 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 :: 7.337 HA :: 4.654 HB2 :: 2.245 HB3 :: 3.026 HD21 :: 8.930(S) HD22 :: 7.501 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 :: 119.926 ND2 :: 121.806(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.53 T 0.46 HN Overlap>> 1.A65 1.D8 1.A65 1.D8 C Shift Assignments>> CA :: 57.910 CB :: 67.097 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.081 HA :: 6.080(S) HB2 :: 2.975(S) HB3 :: 3.407 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 :: 122.355 Ave N Shift Values>> N :: 116.28(3.52) 1.Y36 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> G 0.83 C 0.08 Y 0.08 C Shift Assignments>> CA :: 55.337 CB :: 44.956 CD1 :: 133.384 CE1 :: 117.376 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 :: 8.382 HA :: 5.041 HB2 :: 2.274 HB3 :: 3.353 HD1 :: 6.845 HD2 :: 6.845 HE1 :: 6.484 HE2 :: 6.484 HH :: 5.979(A) 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 :: 116.266 Ave N Shift Values>> N :: 120.52(4.2) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.3 C 0.28 P 0.11 K 0.06 R 0.06 E 0.04 H 0.04 M 0.03 I 0.01 Q 0.01 C Shift Assignments>> CA :: 60.971 CB :: 31.861 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.834 HA :: 4.257 HB2 :: 3.359 HB3 :: 3.633 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 122.941 Ave N Shift Values>> N :: 120.17(4.64) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 F 0.19 R 0.17 Y 0.13 L 0.1 C 0.1 I 0.04 D 0.02 G 0.01 C Shift Assignments>> CA :: 59.062 CB :: 42.404 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 :: 7.220 HA :: 4.255 HB2 :: 2.707 HB3 :: 3.342 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 :: 123.874 Ave N Shift Values>> N :: 120.65(3.86) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.35 I 0.13 K 0.04 M 0.03 Q 0.03 C Shift Assignments>> CA :: 59.695 CB :: 30.037 CG :: 36.196 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 :: 8.933 HA :: 3.950 HB2 :: 2.046 HB3 :: 2.088 HG2 :: 2.296 HG3 :: 2.328 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 :: 114.086 Ave N Shift Values>> N :: 120.67(3.48) 1.C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.28 V 0.27 I 0.22 C 0.19 HN Overlap>> 1.L66 1.L66 C Shift Assignments>> CA :: 63.993 CB :: 30.120 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 6.892 HA :: 3.971 HB2 :: 2.931 HB3 :: 2.924 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.477 Ave N Shift Values>> N :: 120.17(4.64) 1.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 I 0.02 M 0.02 C Shift Assignments>> CA :: 58.757 CB :: 37.589 CG1 :: 30.676 CG2 :: 21.371 CD1 :: 13.843 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 :: 7.710 HA :: 4.059 HB :: 1.051 HG12 :: 0.865 HG13 :: 0.957 HG21 :: 1.048 HG22 :: 1.048 HG23 :: 1.048 HD11 :: 0.188 HD12 :: 0.188 HD13 :: 0.188 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 :: 117.952 Ave N Shift Values>> N :: 121.46(4.28) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 R 0.14 K 0.12 G 0.06 C Shift Assignments>> CA :: 61.724 CB :: 30.523 CG :: 29.102 CD :: 42.785 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 :: 8.384 HA :: 3.649 HB2 :: 1.719 HB3 :: 1.831 HG2 :: 1.419 HG3 :: 1.621 HD2 :: 2.942 HD3 :: 3.259 HE :: 8.467 HH11 :: 7.006 HH21 :: 6.665 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 :: 126.302 NE :: 85.429 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.T43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> CA :: 66.818 CB :: 68.809 CG2 :: 21.561 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 :: 7.681 HA :: 3.819 HB :: 4.237 HG21 :: 1.206 HG22 :: 1.206 HG23 :: 1.206 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 :: 112.719 Ave N Shift Values>> N :: 115.42(4.75) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.37 I 0.04 C 0.02 C Shift Assignments>> CA :: 55.297 CB :: 18.157 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.474 HA :: 4.117 HB1 :: 1.421 HB2 :: 1.421 HB3 :: 1.421 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.181 Ave N Shift Values>> N :: 123.23(3.54) 1.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 L 0.33 R 0.06 G 0.04 A 0.03 C Shift Assignments>> CA :: 57.922 CB :: 42.759 CG :: 26.367 CD1 :: 25.392 CD2 :: 20.757 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 :: 8.397 HA :: 3.999 HB2 :: 1.077 HB3 :: 1.858 HG :: 1.756 HD11 :: 0.613 HD12 :: 0.613 HD13 :: 0.613 HD21 :: 0.645 HD22 :: 0.645 HD23 :: 0.645 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 :: 117.577 Ave N Shift Values>> N :: 121.86(3.9) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.36 R 0.05 C Shift Assignments>> CA :: 57.186 CB :: 42.139 CG :: 27.053 CD1 :: 25.277 CD2 :: 23.134 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 :: 7.932 HA :: 4.189 HB2 :: 1.613 HB3 :: 1.918 HG :: 1.767 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 HD21 :: 0.861 HD22 :: 0.861 HD23 :: 0.861 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 :: 118.062 Ave N Shift Values>> N :: 121.86(3.9) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.37 I 0.08 K 0.06 M 0.04 Q 0.03 C Shift Assignments>> CA :: 57.628 CB :: 29.770 CG :: 36.587 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 :: 7.912 HA :: 4.175 HB2 :: 2.080 HB3 :: 2.134 HG2 :: 2.346 HG3 :: 2.558 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 :: 118.444 Ave N Shift Values>> N :: 120.67(3.48) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 56.588 CB :: 64.915 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.413 HA :: 4.723 HB2 :: 4.049 HB3 :: 4.185 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 :: 113.592 Ave N Shift Values>> N :: 116.28(3.52) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.21 D 0.15 L 0.14 C 0.1 K 0.06 I 0.03 N 0.03 C Shift Assignments>> CA :: 56.881 CB :: 40.507 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 :: 8.903 HA :: 4.265 HB2 :: 2.631 HB3 :: 2.631 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 :: 126.634 Ave N Shift Values>> N :: 120.65(3.86) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.44 C 0.36 K 0.07 I 0.05 M 0.04 Q 0.03 C Shift Assignments>> CA :: 56.214 CB :: 29.581 CG :: 36.761 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 :: 7.903 HA :: 4.220 HB2 :: 1.716 HB3 :: 2.138 HG2 :: 2.145 HG3 :: 2.145 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 :: 116.471 Ave N Shift Values>> N :: 120.67(3.48) 1.H51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 H 0.48 C Shift Assignments>> CA :: 55.119 CB :: 26.492 CD2 :: 119.264 CE1 :: 136.153 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 :: 7.830 HA :: 4.695 HB2 :: 3.226 HB3 :: 3.756 HD2 :: 7.700 HE1 :: 8.652 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 :: 116.375 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.T52 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 :: 61.898 CB :: 70.587 CG2 :: 21.456 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 :: 7.961 HA :: 4.805 HB :: 3.620 HG21 :: 1.038 HG22 :: 1.038 HG23 :: 1.038 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 :: 115.934 Ave N Shift Values>> N :: 115.42(4.75) 1.C53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.2 C 0.19 M 0.18 Q 0.12 R 0.11 H 0.09 E 0.06 V 0.03 C Shift Assignments>> CA :: 57.130 CB :: 32.686 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.827 HA :: 4.228 HB2 :: 3.018 HB3 :: 3.413 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 :: 131.616 Ave N Shift Values>> N :: 120.17(4.64) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 63.867 CB :: 32.002 CG :: 26.550 CD :: 50.724 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 :: 4.398 HB2 :: 1.932 HB3 :: 2.239 HG2 :: 1.590 HG3 :: 1.728 HD2 :: 3.464 HD3 :: 4.022 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.T55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> CA :: 65.207 CB :: 68.864 CG2 :: 22.775 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 :: 9.338 HA :: 4.264 HB :: 4.008 HG21 :: 1.183 HG22 :: 1.183 HG23 :: 1.183 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 :: 121.430 Ave N Shift Values>> N :: 115.42(4.75) 1.C56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 R 0.14 E 0.14 H 0.12 K 0.09 M 0.07 Q 0.07 V 0.07 I 0.02 C Shift Assignments>> CA :: 58.987 CB :: 31.056 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.362 HA :: 4.754 HB2 :: 2.379 HB3 :: 3.173 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 :: 124.692 Ave N Shift Values>> N :: 120.17(4.64) 1.H57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 H 0.37 C Shift Assignments>> CA :: 56.676 CB :: 25.911 CD2 :: 119.689 CE1 :: 136.139 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 :: 7.295 HA :: 4.526 HB2 :: 3.385 HB3 :: 3.526 HD2 :: 7.133 HE1 :: 8.465 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 :: 115.438 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.26 K 0.22 E 0.13 M 0.06 R 0.01 I 0.01 C Shift Assignments>> CA :: 57.757 CB :: 29.682 CG :: 34.233 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 :: 8.590 HA :: 4.163 HB2 :: 1.848 HB3 :: 2.291 HG2 :: 2.505 HG3 :: 2.447 HE21 :: 7.865 HE22 :: 6.910 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 :: 124.369 NE2 :: 114.974 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.3 L 0.14 F 0.06 C 0.05 Y 0.04 K 0.02 C Shift Assignments>> CA :: 52.586 CB :: 40.503 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 :: 8.300 HA :: 4.885 HB2 :: 2.760 HB3 :: 2.866 HD21 :: 7.548 HD22 :: 6.778 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 :: 122.731 ND2 :: 113.067 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 F 0.18 Y 0.18 N 0.18 C 0.11 L 0.09 I 0.02 C Shift Assignments>> CA :: 55.434 CB :: 39.391 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 :: 8.881 HA :: 4.256 HB2 :: 2.619 HB3 :: 3.051 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 :: 116.350 Ave N Shift Values>> N :: 120.65(3.86) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> CA :: 63.066 CB :: 31.133 CG1 :: 20.863 CG2 :: 20.402 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 :: 9.029 HA :: 3.859 HB :: 2.098 HG11 :: 0.837 HG12 :: 0.837 HG13 :: 0.837 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 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 :: 123.835 Ave N Shift Values>> N :: 121.14(4.54) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.243 CB :: 64.357 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.124 HA :: 4.495 HB2 :: 3.770 HB3 :: 4.018 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 :: 119.772 Ave N Shift Values>> N :: 116.28(3.52) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> CA :: 64.264 CB :: 31.928 CG :: 27.423 CD :: 49.975 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 :: 4.094 HB2 :: 2.048 HB3 :: 2.122 HG2 :: 1.721 HG3 :: 1.986 HD2 :: 3.500 HD3 :: 3.760 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.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 F 0.17 L 0.17 Y 0.15 N 0.1 C 0.08 K 0.04 I 0.01 C Shift Assignments>> CA :: 55.518 CB :: 40.373 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 :: 7.820 HA :: 4.528 HB2 :: 2.514 HB3 :: 2.762 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 :: 115.409 Ave N Shift Values>> N :: 120.65(3.86) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.04 C 0.01 L 0.01 HN Overlap>> 1.D8 1.S35 1.D8 1.S35 C Shift Assignments>> CA :: 51.719 CB :: 19.766 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.050 HA :: 4.410 HB1 :: 1.558 HB2 :: 1.558 HB3 :: 1.558 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.285 Ave N Shift Values>> N :: 123.23(3.54) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.29 R 0.13 A 0.03 G 0.01 HN Overlap>> 1.C40 1.C40 C Shift Assignments>> CA :: 55.559 CB :: 42.130 CG :: 27.111 CD1 :: 26.554 CD2 :: 22.870 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 :: 6.877 HA :: 4.379 HB2 :: 1.042 HB3 :: 1.930 HG :: 1.847 HD11 :: 0.944 HD12 :: 0.944 HD13 :: 0.944 HD21 :: 0.851 HD22 :: 0.851 HD23 :: 0.851 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.570 Ave N Shift Values>> N :: 121.86(3.9) 1.I67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.49 C Shift Assignments>> CA :: 59.129 CB :: 41.587 CG1 :: 27.117 CG2 :: 17.795 CD1 :: 14.028 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 :: 8.108 HA :: 4.437 HB :: 1.684 HG12 :: 1.169 HG13 :: 1.669 HG21 :: 0.970 HG22 :: 0.970 HG23 :: 0.970 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 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 :: 122.877 Ave N Shift Values>> N :: 121.46(4.28) 1.A68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.32 C 0.02 I 0.01 C Shift Assignments>> CA :: 53.983 CB :: 18.400 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.870 HA :: 4.130 HB1 :: 1.239 HB2 :: 1.239 HB3 :: 1.239 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 129.158 Ave N Shift Values>> N :: 123.23(3.54) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 C 0.21 M 0.03 D 0.02 Y 0.02 F 0.01 E 0.01 C Shift Assignments>> CA :: 50.329 CB :: 36.926 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 :: 8.044 HA :: 4.818 HB2 :: 2.279 HB3 :: 3.067 HD21 :: 7.559 HD22 :: 7.039 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 :: 120.109 ND2 :: 115.009 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.37 R 0.07 G 0.01 HN Overlap>> 1.I10 1.I10 1.L89 1.D12 1.L89 1.D12 C Shift Assignments>> CA :: 61.351 CB :: 32.382 CG :: 25.687 CD :: 29.084 CE :: 42.070 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 :: 8.200 HA :: 3.774 HB2 :: 1.858 HB3 :: 1.858 HG2 :: 1.309 HG3 :: 1.540 HD2 :: 1.708 HD3 :: 1.624 HE2 :: 2.938 HE3 :: 2.998 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 :: 123.726 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.39 Y 0.36 C 0.24 C Shift Assignments>> CA :: 61.068 CB :: 38.558 CD1 :: 131.573 CE1 :: 131.529 CZ :: 130.496 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>> HA :: 4.327 HB2 :: 3.092 HB3 :: 3.223 HD1 :: 7.345 HD2 :: 7.345 HE1 :: 7.370 HE2 :: 7.370 HZ :: 7.270 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) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.51 C 0.33 R 0.12 G 0.02 C Shift Assignments>> CA :: 56.658 CB :: 42.615 CG :: 27.468 CD1 :: 25.509 CD2 :: 24.316 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>> HA :: 3.834 HB2 :: 1.166 HB3 :: 1.311 HG :: 1.308 HD11 :: 0.745 HD12 :: 0.745 HD13 :: 0.745 HD21 :: 0.621 HD22 :: 0.621 HD23 :: 0.621 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) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 G 0.3 R 0.05 K 0.01 C Shift Assignments>> CA :: 59.901 CB :: 31.889 CG :: 29.776 CD :: 44.312 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 :: 8.358 HA :: 4.094 HB2 :: 2.088 HB3 :: 2.088 HG2 :: 1.766 HG3 :: 1.889 HD2 :: 2.769 HD3 :: 3.449 HE :: 7.853 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 :: 118.510 NE :: 85.703 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.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.25 K 0.24 R 0.07 E 0.05 I 0.02 M 0.01 C Shift Assignments>> CA :: 58.721 CB :: 28.312 CG :: 33.786 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 :: 7.719 HA :: 4.069 HB2 :: 2.131 HB3 :: 2.131 HG2 :: 2.350 HG3 :: 2.382 HE21 :: 7.361 HE22 :: 6.873 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 :: 119.268 NE2 :: 112.993 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.35 I 0.04 C 0.03 C Shift Assignments>> CA :: 55.410 CB :: 18.214 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.849 HA :: 4.134 HB1 :: 1.404 HB2 :: 1.404 HB3 :: 1.404 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.102 Ave N Shift Values>> N :: 123.23(3.54) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> CA :: 67.581 CB :: 32.022 CG1 :: 23.947 CG2 :: 20.817 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 :: 3.592 HB :: 2.281 HG11 :: 1.140 HG12 :: 1.140 HG13 :: 1.140 HG21 :: 1.140 HG22 :: 1.140 HG23 :: 1.140 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 :: 121.320 Ave N Shift Values>> N :: 121.14(4.54) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Y 0.21 F 0.15 E 0.15 N 0.09 I 0.05 M 0.04 D 0.03 L 0.01 C Shift Assignments>> CA :: 56.432 CB :: 37.605 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 :: 8.127 HA :: 4.411 HB2 :: 2.891 HB3 :: 2.875 HD21 :: 7.530 HD22 :: 6.915 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 :: 119.887 ND2 :: 112.379 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 Y 0.19 E 0.15 F 0.14 N 0.14 M 0.04 D 0.03 I 0.03 L 0.01 C Shift Assignments>> CA :: 55.927 CB :: 37.551 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 :: 8.730 HA :: 4.496 HB2 :: 2.950 HB3 :: 2.950 HD21 :: 7.799 HD22 :: 7.025 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 :: 119.864 ND2 :: 112.667 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.F79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 Y 0.39 C 0.18 C Shift Assignments>> CA :: 62.034 CB :: 39.774 CD1 :: 131.700 CE1 :: 131.693 CZ :: 130.528 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 :: 8.294 HA :: 4.267 HB2 :: 3.189 HB3 :: 3.189 HD1 :: 7.068 HD2 :: 7.068 HE1 :: 7.177 HE2 :: 7.177 HZ :: 7.251 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 :: 122.588 Ave N Shift Values>> N :: 120.45(4.18) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 K 0.27 R 0.17 C Shift Assignments>> CA :: 60.496 CB :: 32.357 CG :: 26.281 CD :: 29.965 CE :: 41.961 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 :: 8.795 HA :: 3.795 HB2 :: 1.994 HG2 :: 1.480 HG3 :: 1.993 HD2 :: 1.749 HD3 :: 1.811 HE2 :: 2.942 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 :: 121.129 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.25 Y 0.17 F 0.16 D 0.14 C 0.14 L 0.05 I 0.02 E 0.02 M 0.01 C Shift Assignments>> CA :: 55.186 CB :: 38.717 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 :: 8.148 HA :: 4.540 HB2 :: 2.928 HB3 :: 2.928 HD21 :: 7.710 HD22 :: 6.857 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 :: 118.197 ND2 :: 113.401 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 K 0.08 I 0.08 Q 0.06 M 0.03 C Shift Assignments>> CA :: 58.268 CB :: 29.715 CG :: 36.122 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 :: 8.102 HA :: 4.095 HB2 :: 2.065 HB3 :: 2.065 HG2 :: 2.298 HG3 :: 2.298 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 :: 118.396 Ave N Shift Values>> N :: 120.67(3.48) 1.T83 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 :: 62.112 CB :: 71.081 CG2 :: 20.811 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 :: 7.797 HA :: 4.329 HB :: 4.062 HG21 :: 0.868 HG22 :: 0.868 HG23 :: 0.868 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.310 Ave N Shift Values>> N :: 115.42(4.75) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.893 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.099 HA2 :: 3.928 HA3 :: 4.106 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.713 Ave N Shift Values>> N :: 109.67(3.87) 1.Y85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> CA :: 60.318 CB :: 39.473 CD1 :: 132.880 CE1 :: 118.463 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 :: 7.883 HA :: 4.173 HB2 :: 2.649 HB3 :: 3.081 HD1 :: 7.062 HD2 :: 7.062 HE1 :: 6.806 HE2 :: 6.806 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 :: 121.269 Ave N Shift Values>> N :: 120.52(4.2) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> CA :: 61.471 CB :: 70.354 CG2 :: 21.436 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 :: 7.550 HA :: 4.171 HB :: 4.045 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 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 :: 117.874 Ave N Shift Values>> N :: 115.42(4.75) 1.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.39 R 0.13 G 0.01 C Shift Assignments>> CA :: 56.560 CB :: 33.129 CG :: 24.934 CD :: 29.227 CE :: 42.403 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 :: 7.953 HA :: 4.212 HB2 :: 1.703 HB3 :: 1.804 HG2 :: 1.411 HG3 :: 1.411 HD2 :: 1.667 HD3 :: 1.679 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 :: 123.140 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.39 G 0.07 K 0.05 C Shift Assignments>> CA :: 56.388 CB :: 30.814 CG :: 27.210 CD :: 43.432 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 :: 8.575 HA :: 4.272 HB2 :: 1.748 HB3 :: 1.836 HG2 :: 1.638 HG3 :: 1.638 HD2 :: 3.222 HD3 :: 3.222 HE :: 7.330 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 :: 123.860 NE :: 85.381 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.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.28 R 0.04 A 0.01 G 0.01 HN Overlap>> 1.I10 1.K70 1.I10 1.K70 1.D12 1.D12 C Shift Assignments>> CA :: 55.232 CB :: 42.257 CG :: 27.040 CD1 :: 25.013 CD2 :: 23.577 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 :: 8.187 HA :: 4.310 HB2 :: 1.568 HB3 :: 1.657 HG :: 1.656 HD11 :: 0.938 HD12 :: 0.938 HD13 :: 0.938 HD21 :: 0.871 HD22 :: 0.871 HD23 :: 0.871 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 :: 123.683 Ave N Shift Values>> N :: 121.86(3.9) 1.R90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.37 G 0.07 K 0.05 C Shift Assignments>> CA :: 55.860 CB :: 30.986 CG :: 27.210 CD :: 43.449 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 :: 8.276 HA :: 4.344 HB2 :: 1.774 HB3 :: 1.856 HG2 :: 1.635 HG3 :: 1.635 HD2 :: 3.210 HD3 :: 3.210 HE :: 7.259 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.842 NE :: 85.613 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.K91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.4 R 0.11 C Shift Assignments>> CA :: 56.486 CB :: 33.063 CG :: 24.742 CD :: 29.135 CE :: 42.220 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 :: 8.373 HA :: 4.310 HB2 :: 1.776 HB3 :: 1.860 HG2 :: 1.449 HD2 :: 1.689 HE2 :: 3.006 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 :: 124.329 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q92 Overall: Mistyped Typing: Mistyped SRO: Suspicious C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 M 0.04 A 0.04 K 0.01 C Shift Assignments>> CA :: 57.419 CB :: 30.507 CG :: 34.383 CD :: 21.343(A) 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 :: 8.044 HA :: 4.164 HB2 :: 1.911 HB3 :: 2.101 HG2 :: 2.292 HG3 :: 2.292 HE21 :: 7.542 HE22 :: 6.830 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 :: 127.663 NE2 :: 113.025 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) SRO Rule Breaks>> (CD > CA : 1.0000) (CD > CB : 1.0000) (CD > CG : 1.0000) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 87 #Clerical: 0 #Suspicious: 3 #Anomalous: 1 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 91 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 91 #Suspicious: 1 C Shift Results: #Consistent: 299 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 624 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 1 N Shift Results: #Consistent: 95 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.I29 HG21 = 1.732(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.6669e-04 1.I29 HG22 = 1.732(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.6669e-04 1.I29 HG23 = 1.732(S), Expected = 0.77, Std = 0.2700, ChiSquare = 3.6669e-04 1.N34 HD21 = 8.930(S), Expected = 7.35, Std = 0.4800, ChiSquare = 9.9596e-04 1.N34 ND2 = 121.806(S), Expected = 112.75, Std = 2.2300, ChiSquare = 4.8866e-05 1.S35 HA = 6.080(S), Expected = 4.48, Std = 0.4000, ChiSquare = 6.3342e-05 1.S35 HB2 = 2.975(S), Expected = 3.88, Std = 0.2500, ChiSquare = 2.9460e-04 1.Y36 HH = 5.979(A), Expected = 9.30, Std = 1.3600, ChiSquare = 1.4610e-02 1.Q92 Typing: Mistyped 1.Q92 CD = 21.343(A), Expected = 179.69, Std = 1.2900, ChiSquare = 0.0000e+00 1.Q92 SRO Rule Break>> CD > CA : 1 1.Q92 SRO Rule Break>> CD > CB : 1 1.Q92 SRO Rule Break>> CD > CG : 1