Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.91 M 0.08 C Shift Assignments>> C :: 172.934 CA :: 50.970 CB :: 18.509 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> HA :: 4.158 HB1 :: 1.553 HB2 :: 1.553 HB3 :: 1.553 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.338 CA :: 57.345 CB :: 63.054 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.715 HA :: 4.539 HB2 :: 3.883 HB3 :: 3.844 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 :: 116.027 Ave N Shift Values>> N :: 116.28(3.52) 1.R3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.4 L 0.04 G 0.02 HN Overlap>> 1.Y78 1.Y78 C Shift Assignments>> C :: 175.714 CA :: 55.337 CB :: 29.937 CG :: 26.132 CD :: 42.424 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 :: 8.581 HA :: 4.400 HB2 :: 1.796 HB3 :: 1.906 HG2 :: 1.661 HG3 :: 1.671 HD2 :: 3.223 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 :: 123.346 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.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.28 R 0.18 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.958 CA :: 44.317 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.469 HA2 :: 3.969 HA3 :: 4.009 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.246 Ave N Shift Values>> N :: 109.67(3.87) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.870 CA :: 61.225 CB :: 31.943 CG1 :: 19.365 CG2 :: 20.182 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 :: 8.066 HA :: 4.180 HB :: 2.094 HG11 :: 0.927 HG12 :: 0.927 HG13 :: 0.927 HG21 :: 0.945 HG22 :: 0.945 HG23 :: 0.945 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 :: 119.042 Ave N Shift Values>> N :: 121.14(4.54) 1.N6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 D 0.09 Y 0.05 F 0.04 L 0.01 M 0.01 E 0.01 HN Overlap>> 1.W54 1.W54 C Shift Assignments>> C :: 173.209 CA :: 52.121 CB :: 37.952 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 :: 8.685 HA :: 4.803 HB2 :: 2.930 HB3 :: 2.832 HD21 :: 7.024 HD22 :: 7.573 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 :: 122.934 ND2 :: 112.374 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.88 R 0.09 A 0.02 C Shift Assignments>> C :: 174.785 CA :: 55.145 CB :: 33.089 CG :: 23.882 CD :: 28.276 CE :: 41.094 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 :: 8.038 HA :: 4.754 HB3 :: 1.754 HG2 :: 1.436 HG3 :: 1.292 HD3 :: 1.638 HE3 :: 2.923 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 :: 121.643 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.203 CA :: 59.689 CB :: 33.625 CG1 :: 20.512 CG2 :: 20.031 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 :: 8.738 HA :: 4.390 HB :: 1.762 HG11 :: 0.742 HG12 :: 0.742 HG13 :: 0.742 HG21 :: 0.786 HG22 :: 0.786 HG23 :: 0.786 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 121.932 Ave N Shift Values>> N :: 121.14(4.54) 1.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.976 CA :: 58.922 CB :: 39.081 CG1 :: 27.177 CG2 :: 17.062 CD1 :: 12.733 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 :: 8.011 HA :: 4.842 HB :: 1.563 HG12 :: 0.969 HG13 :: 1.478 HG21 :: 0.640 HG22 :: 0.640 HG23 :: 0.640 HD11 :: 0.880 HD12 :: 0.880 HD13 :: 0.880 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.902 Ave N Shift Values>> N :: 121.46(4.28) 1.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 A 0.16 L 0.13 C Shift Assignments>> C :: 173.004 CA :: 52.304 CB :: 45.992 CG :: 25.423 CD1 :: 25.386 CD2 :: 22.486 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 :: 8.866 HA :: 4.631 HB2 :: 0.889 HB3 :: 1.150 HG :: 1.154 HD11 :: 0.277 HD12 :: 0.277 HD13 :: 0.277 HD21 :: 0.314 HD22 :: 0.314 HD23 :: 0.314 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 :: 126.465 Ave N Shift Values>> N :: 121.86(3.9) 1.V11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 C Shift Assignments>> C :: 175.040 CA :: 59.368 CB :: 33.458 CG1 :: 19.959 CG2 :: 20.960 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 :: 8.005 HA :: 5.082 HB :: 1.923 HG11 :: 0.910 HG12 :: 0.910 HG13 :: 0.910 HG21 :: 1.007 HG22 :: 1.007 HG23 :: 1.007 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 :: 120.035 Ave N Shift Values>> N :: 121.14(4.54) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 L 0.12 R 0.02 F 0.01 HN Overlap>> 1.G46 1.G46 C Shift Assignments>> C :: 170.163 CA :: 45.155 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.421 HA2 :: 4.130 HA3 :: 4.350 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.429 Ave N Shift Values>> N :: 109.67(3.87) 1.N13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.39 N 0.37 L 0.14 F 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 174.934 CA :: 50.404 CB :: 40.961 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 :: 8.293 HA :: 5.953(S) HB2 :: 2.422 HB3 :: 2.404 HD21 :: 6.928 HD22 :: 7.180 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.650 ND2 :: 111.345 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.99 C Shift Assignments>> C :: 179.544 CA :: 56.458 CB :: 40.877 CG :: 26.016 CD1 :: 24.540 CD2 :: 24.275 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 :: 8.898 HA :: 4.814 HB3 :: 2.143 HG :: 1.943 HD11 :: 0.964 HD12 :: 0.964 HD13 :: 0.964 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 :: 124.012 Ave N Shift Values>> N :: 121.86(3.9) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.13 R 0.02 F 0.01 C Shift Assignments>> C :: 171.291 CA :: 45.063 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.308 HA2 :: 3.877 HA3 :: 4.367 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.848 Ave N Shift Values>> N :: 109.67(3.87) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.83 Q 0.14 K 0.02 C Shift Assignments>> C :: 173.676 CA :: 52.758 CB :: 31.768 CG :: 32.427 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 :: 7.524 HA :: 4.577 HB3 :: 2.022 HG2 :: 2.360 HG3 :: 2.257 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 :: 112.740 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 Y 0.08 E 0.07 M 0.06 F 0.06 D 0.05 L 0.01 C Shift Assignments>> C :: 172.839 CA :: 53.120 CB :: 37.235 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 :: 9.216 HA :: 4.630 HB2 :: 2.603 HB3 :: 2.937 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 :: 123.804 Ave N Shift Values>> N :: 120.65(3.86) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 173.979 CA :: 62.401 CB :: 31.051 CG :: 26.621 CD :: 49.675 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 :: 4.389 HB3 :: 2.107 HG2 :: 1.684 HG3 :: 1.542 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.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.36 M 0.17 R 0.06 E 0.01 C Shift Assignments>> C :: 173.942 CA :: 53.712 CB :: 29.396 CG :: 32.877 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 :: 8.011 HA :: 4.679 HB2 :: 1.974 HB3 :: 2.083 HG2 :: 2.421 HG3 :: 2.235 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 :: 122.526 Ave N Shift Values>> N :: 120.67(3.48) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.778 CA :: 60.406 CB :: 32.767 CG1 :: 19.516 CG2 :: 20.165 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 :: 8.782 HA :: 4.751 HB :: 1.838 HG11 :: 0.583 HG12 :: 0.583 HG13 :: 0.583 HG21 :: 0.697 HG22 :: 0.697 HG23 :: 0.697 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 :: 126.878 Ave N Shift Values>> N :: 121.14(4.54) 1.R21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 R 0.36 G 0.03 C Shift Assignments>> C :: 172.476 CA :: 52.974 CB :: 32.519 CG :: 25.955 CD :: 42.271 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 :: 8.799 HA :: 4.562 HB2 :: 1.698 HG2 :: 1.397 HG3 :: 1.455 HD2 :: 3.023 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 :: 127.033 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.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.V29 1.V29 C Shift Assignments>> C :: 175.585 CA :: 56.696 CB :: 38.630 CD1 :: 131.324 CD2 :: 131.324 CE1 :: 116.051 CE2 :: 116.051 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 :: 8.549 HA :: 4.942 HB2 :: 2.703 HB3 :: 2.912 HD1 :: 7.055 HD2 :: 7.055 HE1 :: 6.731 HE2 :: 6.731 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 :: 119.734 Ave N Shift Values>> N :: 120.52(4.2) 1.M23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.6 A 0.39 C Shift Assignments>> C :: 174.984 CA :: 52.551 CB :: 31.272 CG :: 31.730 CE :: 16.312 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 :: 8.740 HA :: 4.795 HB2 :: 2.001 HB3 :: 2.216 HG2 :: 2.451 HG3 :: 2.651 HE1 :: 2.080 HE2 :: 2.080 HE3 :: 2.080 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 :: 123.039 Ave N Shift Values>> N :: 120.09(3.57) 1.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 R 0.02 C Shift Assignments>> C :: 176.008 CA :: 64.179 CB :: 30.767 CG :: 26.778 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 :: 4.374 HB3 :: 2.139 HG2 :: 1.932 HG3 :: 2.419 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.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 M 0.1 E 0.07 Y 0.04 F 0.03 D 0.02 K 0.01 C Shift Assignments>> C :: 174.917 CA :: 52.100 CB :: 36.583 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 :: 8.100 HA :: 4.642 HB2 :: 3.095 HB3 :: 2.905 HD21 :: 6.776 HD22 :: 7.611 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 :: 113.439 ND2 :: 111.702 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.28 R 0.19 F 0.03 D 0.03 Y 0.02 HN Overlap>> 1.G118 1.G150 1.G119 1.G124 1.G118 1.G150 1.G119 1.G124 C Shift Assignments>> C :: 173.775 CA :: 44.284 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.348 HA2 :: 4.285 HA3 :: 3.818 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.556 Ave N Shift Values>> N :: 109.67(3.87) 1.G27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.28 R 0.2 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 171.583 CA :: 44.259 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.082 HA2 :: 4.145 HA3 :: 3.877 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.793 Ave N Shift Values>> N :: 109.67(3.87) 1.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.96 M 0.02 L 0.01 HN Overlap>> 1.A122 1.A161 1.A122 1.A161 C Shift Assignments>> C :: 175.609 CA :: 50.827 CB :: 20.022 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.420 HA :: 4.697 HB1 :: 1.126 HB2 :: 1.126 HB3 :: 1.126 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.298 Ave N Shift Values>> N :: 123.23(3.54) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.98 A 0.01 HN Overlap>> 1.Y22 1.Y22 C Shift Assignments>> C :: 172.607 CA :: 59.422 CB :: 34.283 CG1 :: 19.877 CG2 :: 20.724 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 :: 8.600 HA :: 4.669 HB :: 1.728 HG11 :: 0.661 HG12 :: 0.661 HG13 :: 0.661 HG21 :: 0.555 HG22 :: 0.555 HG23 :: 0.555 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 :: 119.798 Ave N Shift Values>> N :: 121.14(4.54) 1.A30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 G 0.35 L 0.02 C Shift Assignments>> C :: 173.852 CA :: 48.560 CB :: 21.455 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.771 HA :: 5.384 HB1 :: 1.091 HB2 :: 1.091 HB3 :: 1.091 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.054 Ave N Shift Values>> N :: 123.23(3.54) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.25 L 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 173.984 CA :: 51.431 CB :: 39.538 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 :: 8.913 HA :: 5.258 HB2 :: 2.388 HD21 :: 6.686 HD22 :: 7.069 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 :: 120.641 ND2 :: 110.826 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 A 0.06 C Shift Assignments>> C :: 173.253 CA :: 57.765 CB :: 40.844 CG1 :: 26.054 CG2 :: 16.719 CD1 :: 12.395 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 :: 9.263 HA :: 4.892 HB :: 1.889 HG12 :: 0.990 HG13 :: 1.265 HG21 :: 0.722 HG22 :: 0.722 HG23 :: 0.722 HD11 :: 0.635 HD12 :: 0.635 HD13 :: 0.635 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 :: 120.591 Ave N Shift Values>> N :: 121.46(4.28) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.679 CA :: 59.870 CB :: 69.257 CG2 :: 21.437 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 :: 8.903 HA :: 5.113 HB :: 4.065 HG21 :: 1.163 HG22 :: 1.163 HG23 :: 1.163 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 :: 118.964 Ave N Shift Values>> N :: 115.42(4.75) 1.L34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.23 C Shift Assignments>> C :: 173.924 CA :: 52.704 CB :: 46.080 CD1 :: 25.205 CD2 :: 24.940 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 :: 9.213 HA :: 4.951 HB2 :: 1.557 HB3 :: 1.163 HD11 :: 0.512 HD12 :: 0.512 HD13 :: 0.512 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 :: 127.593 Ave N Shift Values>> N :: 121.86(3.9) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.05 C Shift Assignments>> C :: 176.878 CA :: 49.829 CB :: 18.290 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.184 HA :: 4.653 HB1 :: 0.525 HB2 :: 0.525 HB3 :: 0.525 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.740 Ave N Shift Values>> N :: 123.23(3.54) 1.T36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.471 CA :: 59.262 CB :: 70.373 CG2 :: 20.879 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 :: 9.068 HA :: 4.798 HB :: 4.377 HG21 :: 1.147 HG22 :: 1.147 HG23 :: 1.147 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 :: 115.626 Ave N Shift Values>> N :: 115.42(4.75) 1.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q91 1.Q91 C Shift Assignments>> C :: 172.885 CA :: 56.665 CB :: 63.764 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.762 HA :: 5.160 HB2 :: 3.738 HB3 :: 3.693 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 :: 117.884 Ave N Shift Values>> N :: 116.28(3.52) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 Q 0.3 K 0.18 C Shift Assignments>> C :: 173.691 CA :: 53.825 CB :: 30.719 CG :: 32.581 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 :: 8.748 HA :: 4.824 HB2 :: 2.057 HB3 :: 2.195 HG2 :: 2.436 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.285 Ave N Shift Values>> N :: 120.67(3.48) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.782 CA :: 56.239 CB :: 64.691 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.597 HA :: 5.515 HB3 :: 3.753 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 :: 117.287 Ave N Shift Values>> N :: 116.28(3.52) 1.W40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.Y78 1.Y78 C Shift Assignments>> C :: 171.486 CA :: 55.807 CB :: 30.455 CD1 :: 125.231 CE3 :: 120.806 CZ2 :: 112.702 CH2 :: 122.142 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.671 HA :: 4.847 HB2 :: 3.135 HB3 :: 3.379 HD1 :: 6.953 HE1 :: 10.268 HE3 :: 7.252 HZ2 :: 7.393 HZ3 :: 6.903 HH2 :: 7.064 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.444 NE1 :: 129.496 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 K 0.34 L 0.02 G 0.02 C Shift Assignments>> C :: 174.920 CA :: 54.172 CB :: 30.226 CG :: 26.350 CD :: 42.202 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 :: 8.540 HA :: 4.526 HB2 :: 1.640 HG3 :: 1.270 HD2 :: 3.090 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.590 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.D42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.24 N 0.13 K 0.1 F 0.06 Y 0.04 R 0.02 C Shift Assignments>> C :: 176.133 CA :: 53.151 CB :: 41.441 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 :: 8.740 HA :: 4.644 HB2 :: 2.424 HB3 :: 2.978 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 :: 127.962 Ave N Shift Values>> N :: 120.65(3.86) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.57 G 0.33 K 0.08 C Shift Assignments>> C :: 176.738 CA :: 58.053 CB :: 31.552 CG :: 24.064 CD :: 28.228 CE :: 44.163 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 :: 8.919 HA :: 4.001 HB3 :: 1.918 HG3 :: 1.533 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 :: 128.436 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.3 C Shift Assignments>> C :: 178.653 CA :: 53.635 CB :: 18.269 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.357 HA :: 4.307 HB1 :: 1.564 HB2 :: 1.564 HB3 :: 1.564 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.002 Ave N Shift Values>> N :: 123.23(3.54) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 175.626 CA :: 60.644 CB :: 70.722 CG2 :: 20.183 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>> HA :: 4.482 HB :: 4.341 HG21 :: 1.216 HG22 :: 1.216 HG23 :: 1.216 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) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.19 R 0.06 F 0.02 D 0.01 Y 0.01 HN Overlap>> 1.G12 1.G12 C Shift Assignments>> C :: 172.800 CA :: 44.775 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.350 HA2 :: 3.711 HA3 :: 4.189 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.488 Ave N Shift Values>> N :: 109.67(3.87) 1.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 Q 0.33 M 0.17 R 0.08 C Shift Assignments>> C :: 174.639 CA :: 54.534 CB :: 29.301 CG :: 32.692 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 :: 7.743 HA :: 4.281 HB2 :: 1.983 HB3 :: 1.828 HG2 :: 2.339 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.415 Ave N Shift Values>> N :: 120.67(3.48) 1.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.29 I 0.02 C Shift Assignments>> C :: 174.991 CA :: 53.410 CB :: 30.161 CE :: 14.815 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 :: 8.596 HA :: 4.758 HB3 :: 1.887 HG2 :: 2.506 HE1 :: 1.900 HE2 :: 1.900 HE3 :: 1.900 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 :: 121.491 Ave N Shift Values>> N :: 120.09(3.57) 1.K49 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.84 A 0.15 C Shift Assignments>> C :: 173.535 CA :: 53.342 CB :: 33.273 CG :: 23.600 CD :: 27.667 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 :: 8.776 HA :: 4.326 HB2 :: 1.565 HB3 :: 1.501 HG3 :: 0.325(S) HD3 :: 1.067 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 :: 125.856 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 K 0.32 Q 0.2 R 0.04 C Shift Assignments>> C :: 174.445 CA :: 53.756 CB :: 30.124 CG :: 31.961(S) 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 :: 8.037 HA :: 5.136 HB2 :: 1.852 HB3 :: 1.922 HG2 :: 2.292 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 :: 118.601 Ave N Shift Values>> N :: 120.67(3.48) 1.Q51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 Q 0.25 K 0.05 E 0.01 C Shift Assignments>> C :: 173.462 CA :: 53.944 CB :: 31.440 CG :: 32.824 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 :: 8.931 HA :: 4.754 HB2 :: 2.167 HB3 :: 2.182 HG2 :: 2.366 HG3 :: 2.319 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 :: 122.291 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 172.601 CA :: 61.340 CB :: 69.426 CG2 :: 20.663 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>> HA :: 4.878 HB :: 3.793 HG21 :: 0.544 HG22 :: 0.544 HG23 :: 0.544 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) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 Q 0.34 K 0.2 R 0.01 E 0.01 C Shift Assignments>> C :: 173.082 CA :: 53.294 CB :: 30.530 CG :: 32.807 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 :: 8.788 HA :: 4.566 HB2 :: 2.103 HB3 :: 1.821 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 :: 125.736 Ave N Shift Values>> N :: 120.67(3.48) 1.W54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.N6 1.N6 C Shift Assignments>> C :: 175.666 CA :: 55.388 CB :: 30.420 CD1 :: 124.954 CE3 :: 118.353 CZ2 :: 112.847 CZ3 :: 119.031 CH2 :: 121.548 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.622 HA :: 5.294 HB2 :: 2.936 HB3 :: 2.961 HD1 :: 7.147 HE1 :: 10.199 HE3 :: 7.364 HZ2 :: 7.470 HZ3 :: 6.874 HH2 :: 7.174 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.858 NE1 :: 129.431 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.H55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.6 H 0.39 C Shift Assignments>> C :: 172.668 CA :: 53.426 CB :: 30.367 CD2 :: 119.777 CE1 :: 134.229 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 :: 9.212 HA :: 4.899 HB2 :: 2.978 HB3 :: 2.821 HD2 :: 7.335 HE1 :: 8.624 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 :: 117.950 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.R56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.75 K 0.21 M 0.01 L 0.01 C Shift Assignments>> C :: 173.896 CA :: 55.353 CB :: 30.063 CG :: 26.698 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.079 HA :: 4.818 HG3 :: 1.885 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 :: 125.639 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.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.556 CA :: 59.353 CB :: 33.345 CG1 :: 20.881 CG2 :: 20.182 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 :: 8.976 HA :: 5.111 HB :: 1.838 HG11 :: 0.749 HG12 :: 0.749 HG13 :: 0.749 HG21 :: 0.699 HG22 :: 0.699 HG23 :: 0.699 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 :: 126.641 Ave N Shift Values>> N :: 121.14(4.54) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.155 CA :: 59.897 CB :: 33.267 CG1 :: 19.999 CG2 :: 21.393 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 :: 9.113 HA :: 4.833 HB :: 1.813 HG11 :: 0.764 HG12 :: 0.764 HG13 :: 0.764 HG21 :: 0.522 HG22 :: 0.522 HG23 :: 0.522 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 :: 127.672 Ave N Shift Values>> N :: 121.14(4.54) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 G 0.21 R 0.19 D 0.18 F 0.02 K 0.02 N 0.01 Y 0.01 C Shift Assignments>> C :: 174.225 CA :: 52.365 CB :: 43.505 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 :: 8.856 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 :: 124.332 Ave N Shift Values>> N :: 121.86(3.9) 1.F60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.92 G 0.07 HN Overlap>> 1.N145 1.N145 C Shift Assignments>> C :: 176.681 CA :: 55.899 CB :: 42.393 CD1 :: 130.219 CD2 :: 130.219 CE1 :: 129.406 CE2 :: 129.406 CZ :: 127.882 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 :: 8.376 HA :: 5.212 HB2 :: 2.863 HB3 :: 3.227 HD1 :: 7.241 HD2 :: 7.241 HE1 :: 7.179 HE2 :: 7.179 HZ :: 7.123 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.554 Ave N Shift Values>> N :: 120.45(4.18) 1.G61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 C Shift Assignments>> C :: 175.341 CA :: 45.484 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.944 HA2 :: 4.123 HA3 :: 4.065 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.152 Ave N Shift Values>> N :: 109.67(3.87) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.99 C Shift Assignments>> C :: 177.862 CA :: 58.200 CB :: 31.071 CG :: 23.896 CD :: 27.841 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 :: 9.096 HA :: 4.111 HB3 :: 1.982 HG3 :: 1.575 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 :: 126.668 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 A 0.16 C Shift Assignments>> C :: 177.702 CA :: 56.584 CB :: 40.955 CG :: 25.037 CD1 :: 22.195 CD2 :: 22.433 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 :: 7.990 HA :: 4.096 HB2 :: 1.941 HB3 :: 1.417 HG :: 1.002 HD11 :: 1.011 HD12 :: 1.011 HD13 :: 1.011 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 :: 115.529 Ave N Shift Values>> N :: 121.86(3.9) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.43 C Shift Assignments>> C :: 178.089 CA :: 53.636 CB :: 17.470 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.043 HA :: 3.717 HB1 :: 1.194 HB2 :: 1.194 HB3 :: 1.194 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.298 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>> R 0.26 L 0.16 Q 0.13 W 0.1 I 0.1 H 0.08 E 0.07 K 0.06 C Shift Assignments>> C :: 178.352 CA :: 57.833 CB :: 27.160 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 :: 7.397 HA :: 3.949 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 :: 116.960 Ave N Shift Values>> N :: 120.67(3.48) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.F147 1.Q130 1.F147 1.Q130 C Shift Assignments>> C :: 177.420 CA :: 65.463 CB :: 30.927 CG1 :: 21.164 CG2 :: 20.861 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 :: 8.231 HA :: 3.818 HB :: 2.139 HG11 :: 1.151 HG12 :: 1.151 HG13 :: 1.151 HG21 :: 1.005 HG22 :: 1.005 HG23 :: 1.005 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 :: 120.511 Ave N Shift Values>> N :: 121.14(4.54) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.47 I 0.01 C Shift Assignments>> C :: 177.697 CA :: 54.092 CB :: 17.393 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.074 HA :: 3.912 HB1 :: 1.266 HB2 :: 1.266 HB3 :: 1.266 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 120.627 Ave N Shift Values>> N :: 123.23(3.54) 1.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.413 CA :: 59.825 CB :: 62.312 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.748 HB3 :: 3.943 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 :: 109.165 Ave N Shift Values>> N :: 116.28(3.52) 1.E69 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 R 0.31 Q 0.17 M 0.09 C Shift Assignments>> C :: 176.981 CA :: 57.090 CB :: 28.350 CG :: 31.927(S) 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 :: 7.722 HA :: 4.047 HB2 :: 1.404 HB3 :: 1.865 HG2 :: 1.771 HG3 :: 2.209 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 :: 118.669 Ave N Shift Values>> N :: 120.67(3.48) 1.Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.281 CA :: 58.463 CB :: 41.034 CD1 :: 131.564 CD2 :: 131.564 CE1 :: 115.782 CE2 :: 115.782 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 :: 7.984 HA :: 4.767 HB2 :: 2.682 HB3 :: 3.244 HD1 :: 7.308 HD2 :: 7.308 HE1 :: 6.805 HE2 :: 6.805 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 112.587 Ave N Shift Values>> N :: 120.52(4.2) 1.L71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 G 0.01 HN Overlap>> 1.S148 1.S148 C Shift Assignments>> C :: 174.555 CA :: 53.494 CB :: 42.192 CG :: 26.063 CD1 :: 18.438(S) 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 :: 8.140 HA :: 4.696 HG :: 1.361 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 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 :: 117.531 Ave N Shift Values>> N :: 121.86(3.9) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 Q 0.18 P 0.16 R 0.1 HN Overlap>> 1.N125 1.N125 C Shift Assignments>> C :: 173.793 CA :: 51.976 CB :: 34.263 CG :: 25.653 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 :: 8.340 HA :: 4.732 HB2 :: 2.034 HG3 :: 1.691 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 :: 118.110 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.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.86 R 0.13 C Shift Assignments>> C :: 175.940 CA :: 58.642 CB :: 31.555 CG :: 23.581 CD :: 28.771 CE :: 41.152 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 :: 8.941 HA :: 3.372 HB2 :: 1.561 HB3 :: 1.749 HG2 :: 1.279 HG3 :: 1.143 HD2 :: 1.139 HD3 :: 1.911 HE3 :: 3.045 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 :: 120.901 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.29 R 0.21 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 174.307 CA :: 44.239 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.949 HA2 :: 3.747 HA3 :: 4.566 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.802 Ave N Shift Values>> N :: 109.67(3.87) 1.S75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.519 CA :: 60.601 CB :: 63.427 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.902 HA :: 4.425 HB3 :: 4.064 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 :: 119.373 Ave N Shift Values>> N :: 116.28(3.52) 1.Q76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.42 K 0.35 M 0.13 R 0.04 E 0.03 C Shift Assignments>> C :: 175.028 CA :: 54.108 CB :: 29.503 CG :: 33.341 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 :: 8.923 HA :: 5.131 HB2 :: 2.109 HB3 :: 1.934 HG2 :: 2.336 HG3 :: 2.184 HE21 :: 7.245 HE22 :: 6.767 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 :: 124.821 NE2 :: 110.289 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 A 0.11 I 0.01 C Shift Assignments>> C :: 170.729 CA :: 58.524 CB :: 35.846 CG1 :: 22.329 CG2 :: 19.715 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 :: 8.999 HA :: 5.153 HB :: 1.928 HG11 :: 0.841 HG12 :: 0.841 HG13 :: 0.841 HG21 :: 0.701 HG22 :: 0.701 HG23 :: 0.701 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 :: 119.453 Ave N Shift Values>> N :: 121.14(4.54) 1.Y78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 HN Overlap>> 1.R3 1.W40 1.R3 1.W40 C Shift Assignments>> C :: 173.446 CA :: 55.315 CB :: 40.630 CD1 :: 131.083 CD2 :: 131.083 CE1 :: 116.788 CE2 :: 116.788 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 :: 8.675 HA :: 5.164 HB2 :: 2.889 HB3 :: 2.866 HD1 :: 6.837 HD2 :: 6.837 HE1 :: 6.584 HE2 :: 6.584 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 :: 123.342 Ave N Shift Values>> N :: 120.52(4.2) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 A 0.32 C Shift Assignments>> C :: 172.648 CA :: 56.484 CB :: 40.961 CG1 :: 26.304 CG2 :: 17.098 CD1 :: 12.334 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 :: 8.934 HA :: 4.795 HB :: 1.594 HG12 :: 1.255 HG13 :: 1.110 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 HD11 :: 0.679 HD12 :: 0.679 HD13 :: 0.679 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 :: 126.773 Ave N Shift Values>> N :: 121.46(4.28) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 Q 0.38 K 0.12 E 0.04 C Shift Assignments>> C :: 174.531 CA :: 53.437 CB :: 30.760 CG :: 33.616 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 :: 8.303 HA :: 5.231 HB2 :: 2.007 HB3 :: 1.898 HG2 :: 2.268 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 :: 122.796 Ave N Shift Values>> N :: 120.67(3.48) 1.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.26 R 0.15 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 170.690 CA :: 44.421 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.461 HA2 :: 3.536 HA3 :: 4.736 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.021 Ave N Shift Values>> N :: 109.67(3.87) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 Q 0.28 K 0.05 E 0.01 C Shift Assignments>> C :: 174.021 CA :: 53.214 CB :: 31.332 CG :: 33.188 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 :: 8.671 HA :: 4.996 HB2 :: 2.059 HB3 :: 1.956 HG3 :: 2.379 HE21 :: 6.919 HE22 :: 7.576 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 :: 119.257 NE2 :: 111.746 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.93 G 0.03 A 0.02 C Shift Assignments>> C :: 176.041 CA :: 54.389 CB :: 42.535 CG :: 26.158 CD1 :: 23.788 CD2 :: 23.915 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 :: 8.859 HA :: 4.810 HB2 :: 1.676 HB3 :: 1.518 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 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 :: 125.265 Ave N Shift Values>> N :: 121.86(3.9) 1.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.37 G 0.05 C Shift Assignments>> C :: 173.701 CA :: 54.081 CB :: 32.992 CG :: 25.797 CD :: 42.689 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.329 HA :: 4.832 HB2 :: 1.787 HB3 :: 1.586 HG3 :: 1.876 HD2 :: 3.183 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 :: 125.771 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.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.804 CA :: 60.828 CB :: 69.571 CG2 :: 20.994 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 :: 8.801 HA :: 5.158 HB :: 4.002 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 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 :: 120.341 Ave N Shift Values>> N :: 115.42(4.75) 1.R86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 R 0.46 G 0.02 C Shift Assignments>> C :: 172.891 CA :: 53.798 CB :: 32.384 CG :: 26.253 CD :: 42.308 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.028 HA :: 4.713 HB2 :: 1.606 HB3 :: 1.472 HG3 :: 1.772 HD2 :: 2.900 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 :: 127.114 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.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.93 A 0.06 C Shift Assignments>> C :: 174.681 CA :: 54.107 CB :: 33.571 CG :: 23.644 CD :: 28.500 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 :: 8.599 HA :: 5.024 HB2 :: 1.618 HB3 :: 1.697 HG2 :: 0.973 HG3 :: 1.069 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 :: 126.421 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.W88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> C :: 172.091 CA :: 54.853 CB :: 29.576 CD1 :: 125.018 CE3 :: 118.150 CZ2 :: 111.779 CZ3 :: 118.796 CH2 :: 122.057 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.894 HA :: 4.865 HB2 :: 3.123 HB3 :: 3.241 HD1 :: 6.871 HE1 :: 10.065 HE3 :: 7.276 HZ2 :: 7.267 HZ3 :: 6.930 HH2 :: 7.066 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 126.333 NE1 :: 130.189 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.T89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.465 CA :: 60.312 CB :: 69.473 CG2 :: 20.612 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 :: 8.438 HA :: 4.732 HB :: 3.819 HG21 :: 1.142 HG22 :: 1.142 HG23 :: 1.142 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 116.208 Ave N Shift Values>> N :: 115.42(4.75) 1.D90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.37 L 0.13 F 0.04 Y 0.03 K 0.01 C Shift Assignments>> C :: 176.923 CA :: 51.636 CB :: 40.572 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 :: 8.404 HA :: 4.764 HB2 :: 3.368 HB3 :: 2.409 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 :: 125.955 Ave N Shift Values>> N :: 120.65(3.86) 1.Q91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 R 0.34 K 0.26 M 0.03 E 0.01 HN Overlap>> 1.S37 1.S37 C Shift Assignments>> C :: 175.821 CA :: 57.482 CB :: 27.292 CG :: 33.026 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 :: 8.708 HA :: 4.166 HB3 :: 2.190 HG3 :: 2.507 HE21 :: 7.616 HE22 :: 6.904 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 :: 117.837 NE2 :: 112.462 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.800 CA :: 57.488 CB :: 63.264 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.337 HA :: 4.568 HB2 :: 3.949 HB3 :: 4.007 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 :: 115.271 Ave N Shift Values>> N :: 116.28(3.52) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.28 R 0.19 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 173.081 CA :: 44.286 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.184 HA2 :: 3.524 HA3 :: 4.214 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.025 Ave N Shift Values>> N :: 109.67(3.87) 1.Q94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.34 R 0.15 M 0.1 C Shift Assignments>> C :: 174.130 CA :: 53.791 CB :: 28.632 CG :: 32.840 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 :: 7.907 HA :: 4.279 HB2 :: 2.177 HB3 :: 2.248 HG3 :: 1.902 HE21 :: 6.822 HE22 :: 7.591 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 :: 120.599 NE2 :: 113.134 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.21 F 0.08 Y 0.07 L 0.06 HN Overlap>> 1.R96 1.R96 C Shift Assignments>> C :: 173.931 CA :: 53.171 CB :: 38.962 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 :: 8.559 HA :: 4.683 HB2 :: 2.588 HB3 :: 2.258 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 :: 123.142 Ave N Shift Values>> N :: 120.65(3.86) 1.R96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.86 R 0.11 G 0.01 A 0.01 HN Overlap>> 1.D95 1.D95 C Shift Assignments>> C :: 172.665 CA :: 52.358 CB :: 31.290 CG :: 25.174 CD :: 41.399 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 :: 8.646 HA :: 4.239 HB2 :: 1.002 HB3 :: -0.143(S) HG3 :: 0.781 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 :: 123.127 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.Y97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.467 CA :: 55.900 CB :: 40.180 CD1 :: 131.422 CD2 :: 131.422 CE1 :: 116.356 CE2 :: 116.356 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 :: 8.135 HA :: 5.441 HB2 :: 2.731 HB3 :: 2.798 HD1 :: 6.950 HD2 :: 6.950 HE1 :: 6.720 HE2 :: 6.720 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 :: 116.891 Ave N Shift Values>> N :: 120.52(4.2) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.314 CA :: 60.510 CB :: 70.578 CG2 :: 20.650 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 :: 9.103 HA :: 4.809 HB :: 4.126 HG21 :: 1.224 HG22 :: 1.224 HG23 :: 1.224 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.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 172.976 CA :: 60.637 CB :: 70.076 CG2 :: 21.288 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 :: 8.685 HA :: 5.329 HB :: 4.076 HG21 :: 1.259 HG22 :: 1.259 HG23 :: 1.259 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 :: 120.734 Ave N Shift Values>> N :: 115.42(4.75) 1.E100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 H 0.19 R 0.17 W 0.11 K 0.1 Q 0.08 E 0.05 P 0.02 C Shift Assignments>> C :: 172.136 CA :: 52.878 CB :: 31.411 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 :: 9.201 HA :: 5.002 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 :: 122.944 Ave N Shift Values>> N :: 120.67(3.48) 1.V101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.730 CA :: 60.586 CB :: 31.701 CG1 :: 19.931 CG2 :: 20.819 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 :: 8.694 HA :: 4.638 HB :: 1.970 HG11 :: 0.552 HG12 :: 0.552 HG13 :: 0.552 HG21 :: 0.847 HG22 :: 0.847 HG23 :: 0.847 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 :: 121.652 Ave N Shift Values>> N :: 121.14(4.54) 1.V102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 M 0.06 C Shift Assignments>> C :: 175.040 CA :: 59.968 CB :: 33.065 CG1 :: 20.568 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 :: 9.427 HA :: 4.845 HB :: 2.084 HG11 :: 0.982 HG12 :: 0.982 HG13 :: 0.982 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 :: 125.425 Ave N Shift Values>> N :: 121.14(4.54) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 172.895 CA :: 61.294 CB :: 30.435 CG1 :: 20.704 CG2 :: 21.147 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 :: 9.126 HA :: 4.334 HB :: 2.268 HG11 :: 0.735 HG12 :: 0.735 HG13 :: 0.735 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 :: 129.418 Ave N Shift Values>> N :: 121.14(4.54) 1.N104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.78 D 0.11 F 0.03 Y 0.03 L 0.02 C Shift Assignments>> C :: 174.302 CA :: 50.881 CB :: 38.417 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 :: 8.473 HA :: 5.022 HB2 :: 2.886 HB3 :: 2.816 HD21 :: 6.830 HD22 :: 7.309 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 :: 125.731 ND2 :: 112.119 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.249 CA :: 64.302 CB :: 30.475 CG1 :: 19.983 CG2 :: 20.341 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 :: 8.212 HA :: 3.967 HB :: 2.103 HG11 :: 1.019 HG12 :: 1.019 HG13 :: 1.019 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 :: 121.249 Ave N Shift Values>> N :: 121.14(4.54) 1.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 L 0.28 R 0.2 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 174.089 CA :: 44.254 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.804 HA2 :: 3.945 HA3 :: 4.178 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.696 Ave N Shift Values>> N :: 109.67(3.87) 1.G107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.31 G 0.14 D 0.05 F 0.05 Y 0.02 K 0.01 HN Overlap>> 1.G133 1.G133 C Shift Assignments>> C :: 171.955 CA :: 43.673 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.334 HA2 :: 3.958 HA3 :: 4.474 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.968 Ave N Shift Values>> N :: 109.67(3.87) 1.T108 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.601 CA :: 61.043 CB :: 70.185 CG2 :: 28.280(S) 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 :: 8.745 HA :: 4.653 HB :: 4.082 HG21 :: 1.210 HG22 :: 1.210 HG23 :: 1.210 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 :: 113.463 Ave N Shift Values>> N :: 115.42(4.75) 1.M109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.31 C Shift Assignments>> C :: 173.279 CA :: 54.202 CB :: 35.228 CG :: 30.958 CE :: 16.274 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 :: 8.033 HA :: 5.365 HB3 :: 2.352 HG2 :: 2.173 HE1 :: 1.945 HE2 :: 1.945 HE3 :: 1.945 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 :: 123.517 Ave N Shift Values>> N :: 120.09(3.57) 1.Q110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 Q 0.2 K 0.08 C Shift Assignments>> C :: 173.810 CA :: 53.218 CB :: 31.183 CG :: 32.335 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 :: 9.512 HA :: 4.753 HB2 :: 1.887 HB3 :: 2.059 HG3 :: 2.252 HE21 :: 6.662 HE22 :: 7.180 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 :: 125.246 NE2 :: 110.660 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.M111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.89 A 0.1 C Shift Assignments>> C :: 174.667 CA :: 55.757 CB :: 32.359 CG :: 31.759 CE :: 16.059 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 :: 8.964 HA :: 4.533 HB2 :: 1.997 HB3 :: 2.122 HG2 :: 2.498 HE1 :: 1.896 HE2 :: 1.896 HE3 :: 1.896 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 :: 124.478 Ave N Shift Values>> N :: 120.09(3.57) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 L 0.29 G 0.01 C Shift Assignments>> C :: 176.260 CA :: 53.393 CB :: 41.850 CG :: 25.125 CD1 :: 21.735 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 :: 8.154 HA :: 4.574 HB2 :: 1.536 HB3 :: 1.422 HG :: 0.848 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 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 :: 124.973 Ave N Shift Values>> N :: 121.86(3.9) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.25 R 0.13 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.620 CA :: 44.490 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.445 HA3 :: 3.954 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.779 Ave N Shift Values>> N :: 109.67(3.87) 1.G114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.37 L 0.29 R 0.21 F 0.04 D 0.03 Y 0.02 HN Overlap>> 1.G118 1.G128 1.G150 1.G119 1.G124 1.G118 1.G128 1.G150 1.G119 1.G124 C Shift Assignments>> C :: 173.221 CA :: 44.222 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.228 HA3 :: 3.998 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.563 Ave N Shift Values>> N :: 109.67(3.87) 1.R115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.41 L 0.05 G 0.02 HN Overlap>> 1.F147 1.F147 C Shift Assignments>> C :: 175.531 CA :: 55.226 CB :: 29.840 CG :: 26.106 CD :: 42.436 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 :: 8.316 HA :: 4.342 HB2 :: 1.750 HB3 :: 1.843 HG3 :: 1.615 HD2 :: 3.164 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 :: 120.588 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.Q116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 K 0.21 Q 0.17 R 0.11 H 0.11 W 0.06 E 0.04 V 0.01 C Shift Assignments>> C :: 175.524 CA :: 55.121 CG :: 32.874 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 :: 8.562 HA :: 4.367 HB2 :: 1.990 HB3 :: 2.126 HG3 :: 2.359 HE21 :: 6.844 HE22 :: 7.495 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.856 NE2 :: 112.336 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.27 R 0.16 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 173.662 CA :: 44.368 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.452 HA3 :: 3.977 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.381 Ave N Shift Values>> N :: 109.67(3.87) 1.G118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.27 R 0.17 F 0.03 D 0.03 Y 0.01 HN Overlap>> 1.G26 1.G114 1.G26 1.G114 1.G119 1.G119 C Shift Assignments>> CA :: 44.357 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.287 HA3 :: 3.975 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.469 Ave N Shift Values>> N :: 109.67(3.87) 1.G119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.31 L 0.31 G 0.22 D 0.04 F 0.04 Y 0.02 K 0.01 HN Overlap>> 1.G26 1.G114 1.G118 1.G128 1.G150 1.G26 1.G114 1.G118 1.G128 1.G150 1.G124 1.G124 C Shift Assignments>> C :: 172.452 CA :: 43.904 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.281 HA3 :: 3.936 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.555 Ave N Shift Values>> N :: 109.67(3.87) 1.A120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 G 0.01 HN Overlap>> 1.A162 1.A162 C Shift Assignments>> C :: 174.627 CA :: 49.513 CB :: 17.281 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 :: 4.554 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.610 Ave N Shift Values>> N :: 123.23(3.54) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.837 CA :: 62.160 CB :: 31.025 CG :: 26.438 CD :: 49.594 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 :: 4.390 HB3 :: 2.247 HG2 :: 1.970 HG3 :: 1.903 HD2 :: 3.585 HD3 :: 3.748 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.A122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.13 HN Overlap>> 1.A28 1.A28 C Shift Assignments>> C :: 177.312 CA :: 51.685 CB :: 18.253 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.425 HA :: 4.306 HB1 :: 1.392 HB2 :: 1.392 HB3 :: 1.392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.410 Ave N Shift Values>> N :: 123.23(3.54) 1.G123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.27 R 0.16 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 173.637 CA :: 44.379 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.362 HA3 :: 3.988 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.125 Ave N Shift Values>> N :: 109.67(3.87) 1.G124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.28 R 0.19 F 0.03 D 0.03 Y 0.02 HN Overlap>> 1.G26 1.G114 1.G128 1.G150 1.G119 1.G26 1.G114 1.G128 1.G150 1.G119 C Shift Assignments>> C :: 173.121 CA :: 44.273 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.315 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.619 Ave N Shift Values>> N :: 109.67(3.87) 1.N125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.74 D 0.09 Y 0.05 F 0.04 M 0.01 L 0.01 E 0.01 HN Overlap>> 1.R72 1.R72 C Shift Assignments>> C :: 174.443 CA :: 52.217 CB :: 37.942 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 :: 8.362 HA :: 4.745 HB2 :: 2.809 HB3 :: 2.718 HD21 :: 7.565 HD22 :: 6.910 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 :: 118.168 ND2 :: 112.683 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.896 CA :: 60.579 CB :: 37.664 CG1 :: 26.291 CG2 :: 16.596 CD1 :: 12.093 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 :: 8.171 HA :: 4.174 HB :: 1.888 HG12 :: 1.165 HG13 :: 1.441 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 HD11 :: 0.834 HD12 :: 0.834 HD13 :: 0.834 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 :: 120.959 Ave N Shift Values>> N :: 121.46(4.28) 1.G127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.26 R 0.15 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.752 CA :: 44.424 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.493 HA3 :: 3.974 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.571 Ave N Shift Values>> N :: 109.67(3.87) 1.G128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.26 R 0.15 F 0.03 D 0.02 Y 0.01 HN Overlap>> 1.G114 1.G114 1.G150 1.G119 1.G124 1.G150 1.G119 1.G124 C Shift Assignments>> CA :: 44.408 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.251 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.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.3 G 0.3 R 0.26 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> CA :: 44.083 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA3 :: 3.953 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.Q130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.31 R 0.25 Q 0.23 M 0.09 P 0.09 HN Overlap>> 1.V66 1.V66 C Shift Assignments>> C :: 173.146 CA :: 52.710 CB :: 28.246 CG :: 32.452 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 :: 8.212 HA :: 4.595 HB2 :: 2.082 HB3 :: 1.904 HG2 :: 2.367 HG3 :: 2.335 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 :: 120.447 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.050 CA :: 62.327 CB :: 31.077 CG :: 26.438 CD :: 49.628 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 :: 4.391 HB3 :: 2.215 HG3 :: 1.865 HD2 :: 3.464 HD3 :: 3.641 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.Q132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.33 R 0.18 M 0.08 E 0.01 HN Overlap>> 1.Q142 1.Q142 C Shift Assignments>> C :: 175.608 CA :: 55.179 CB :: 28.423 CG :: 32.841 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 :: 8.537 HA :: 4.271 HB2 :: 1.974 HB3 :: 2.097 HG3 :: 2.374 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 :: 120.817 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.27 R 0.17 F 0.03 D 0.03 Y 0.01 HN Overlap>> 1.G107 1.G107 1.G143 1.G143 C Shift Assignments>> C :: 173.474 CA :: 44.341 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.380 HA3 :: 3.906 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.977 Ave N Shift Values>> N :: 109.67(3.87) 1.G134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 L 0.3 R 0.23 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.864 CA :: 44.163 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.124 HA3 :: 3.937 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.302 Ave N Shift Values>> N :: 109.67(3.87) 1.W135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.99 HN Overlap>> 1.Q137 1.Q137 C Shift Assignments>> C :: 175.851 CA :: 56.518 CB :: 28.733 CD1 :: 125.452 CE3 :: 118.622 CZ2 :: 112.337 CZ3 :: 119.279 CH2 :: 121.838 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.053 HA :: 4.631 HB2 :: 3.174 HB3 :: 3.293 HD1 :: 7.228 HE1 :: 10.093 HE3 :: 7.578 HZ2 :: 7.433 HZ3 :: 7.080 HH2 :: 7.159 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.341 NE1 :: 129.245 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.29 R 0.21 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.651 CA :: 44.227 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.321 HA3 :: 3.832 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.320 Ave N Shift Values>> N :: 109.67(3.87) 1.Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.3 K 0.27 Q 0.22 P 0.12 M 0.07 HN Overlap>> 1.W135 1.W135 C Shift Assignments>> C :: 175.788 CA :: 52.693 CB :: 27.946 CG :: 32.473 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 :: 4.560 HB2 :: 1.883 HB3 :: 2.079 HG2 :: 2.330 HG3 :: 2.364 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 :: 120.365 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.841 CA :: 62.318 CB :: 31.115 CG :: 26.474 CD :: 49.837 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 :: 4.405 HB3 :: 2.270 HG2 :: 1.992 HG3 :: 1.885 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.Q139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.34 R 0.15 M 0.09 E 0.01 HN Overlap>> 1.Q146 1.Q146 C Shift Assignments>> C :: 174.834 CA :: 54.765 CB :: 28.639 CG :: 32.900 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 :: 8.466 HA :: 4.297 HB2 :: 1.953 HB3 :: 2.073 HG3 :: 2.361 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 :: 120.396 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 R 0.17 Q 0.15 H 0.14 K 0.1 W 0.09 E 0.04 P 0.03 M 0.02 C Shift Assignments>> C :: 173.084 CA :: 52.735 CB :: 27.978 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 :: 8.413 HB2 :: 1.912 HB3 :: 2.076 HG3 :: 2.365 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 :: 122.414 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.041 CA :: 62.381 CB :: 31.120 CG :: 26.477 CD :: 49.885 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 :: 4.413 HB3 :: 2.273 HG2 :: 1.972 HG3 :: 1.903 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.Q142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.33 R 0.17 M 0.09 E 0.01 HN Overlap>> 1.Q156 1.Q156 1.Q132 1.Q132 C Shift Assignments>> C :: 175.616 CA :: 55.007 CB :: 28.545 CG :: 32.840 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 :: 8.561 HA :: 4.334 HB2 :: 1.992 HB3 :: 2.125 HG3 :: 2.390 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 :: 120.707 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.46 L 0.27 R 0.16 F 0.03 D 0.03 Y 0.01 HN Overlap>> 1.G133 1.G133 C Shift Assignments>> C :: 173.664 CA :: 44.377 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.437 HA3 :: 3.951 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.046 Ave N Shift Values>> N :: 109.67(3.87) 1.G144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.4 L 0.28 R 0.19 F 0.03 D 0.03 Y 0.02 C Shift Assignments>> C :: 172.916 CA :: 44.275 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.215 HA3 :: 3.960 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.122 Ave N Shift Values>> N :: 109.67(3.87) 1.N145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.73 D 0.09 Y 0.05 F 0.05 M 0.02 L 0.02 E 0.01 HN Overlap>> 1.F60 1.F60 C Shift Assignments>> C :: 174.461 CA :: 52.343 CB :: 37.944 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 :: 8.369 HA :: 4.680 HB2 :: 2.753 HB3 :: 2.786 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 :: 118.446 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 Q 0.29 R 0.25 M 0.08 HN Overlap>> 1.Q139 1.Q139 C Shift Assignments>> C :: 174.750 CA :: 55.356 CB :: 28.164 CG :: 32.604 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 :: 8.420 HA :: 4.225 HB2 :: 1.921 HB3 :: 1.859 HG2 :: 2.106 HG3 :: 2.151 HE21 :: 6.820 HE22 :: 7.385 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 :: 120.331 NE2 :: 112.184 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.V66 1.R115 1.V66 1.R115 C Shift Assignments>> C :: 174.976 CA :: 56.690 CB :: 38.467 CD1 :: 130.196 CD2 :: 130.196 CE1 :: 129.118 CE2 :: 129.118 CZ :: 127.562 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 :: 8.263 HA :: 4.692 HB2 :: 3.185 HB3 :: 3.005 HD1 :: 7.248 HD2 :: 7.248 HE1 :: 7.328 HE2 :: 7.328 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) N Shift Assignments>> N :: 120.574 Ave N Shift Values>> N :: 120.45(4.18) 1.S148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.L71 1.L71 C Shift Assignments>> C :: 173.944 CA :: 57.403 CB :: 62.979 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.215 HA :: 4.442 HB3 :: 3.857 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 :: 117.453 Ave N Shift Values>> N :: 116.28(3.52) 1.G149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.23 R 0.11 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.643 CA :: 44.563 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.059 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.422 Ave N Shift Values>> N :: 109.67(3.87) 1.G150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.36 L 0.29 R 0.22 F 0.04 D 0.03 Y 0.02 HN Overlap>> 1.G26 1.G114 1.G128 1.G26 1.G114 1.G128 1.G119 1.G124 1.G119 1.G124 C Shift Assignments>> C :: 173.195 CA :: 44.202 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.272 HA3 :: 3.973 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.597 Ave N Shift Values>> N :: 109.67(3.87) 1.A151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.14 C Shift Assignments>> C :: 176.993 CA :: 51.838 CB :: 18.193 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.256 HA :: 4.298 HB1 :: 1.389 HB2 :: 1.389 HB3 :: 1.389 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.734 Ave N Shift Values>> N :: 123.23(3.54) 1.Q152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 Q 0.34 R 0.18 M 0.08 E 0.01 C Shift Assignments>> C :: 175.075 CA :: 54.996 CB :: 28.398 CG :: 32.936 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 :: 8.376 HA :: 4.339 HB2 :: 2.128 HB3 :: 1.984 HG3 :: 2.364 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.751 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.067 CA :: 57.380 CB :: 62.945 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.221 HA :: 4.427 HB3 :: 3.848 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 :: 116.722 Ave N Shift Values>> N :: 116.28(3.52) 1.R154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 R 0.37 L 0.11 C Shift Assignments>> C :: 173.172 CA :: 53.051 CB :: 29.322 CG :: 25.782 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 :: 8.250 HA :: 4.638 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 :: 123.344 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.P155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.021 CA :: 62.354 CB :: 31.096 CG :: 26.433 CD :: 49.840 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 :: 4.407 HB3 :: 2.285 HG2 :: 1.887 HG3 :: 1.994 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.Q156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 Q 0.34 R 0.17 M 0.09 E 0.01 HN Overlap>> 1.Q142 1.Q142 C Shift Assignments>> C :: 175.085 CA :: 55.040 CB :: 28.504 CG :: 32.873 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 :: 8.525 HA :: 4.289 HB2 :: 2.103 HB3 :: 1.995 HG3 :: 2.390 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 :: 120.628 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.33 R 0.23 M 0.07 C Shift Assignments>> C :: 174.841 CA :: 54.931 CB :: 28.123 CG :: 32.854 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 :: 8.428 HA :: 4.382 HB2 :: 2.001 HB3 :: 2.123 HG3 :: 2.372 HE21 :: 6.824 HE22 :: 7.436 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.499 NE2 :: 111.172 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.660 CA :: 57.289 CB :: 63.025 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.345 HA :: 4.441 HB3 :: 3.848 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 :: 117.286 Ave N Shift Values>> N :: 116.28(3.52) 1.A159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 G 0.01 C Shift Assignments>> C :: 174.340 CA :: 49.497 CB :: 17.327 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.290 HB1 :: 1.327 HB2 :: 1.327 HB3 :: 1.327 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.808 Ave N Shift Values>> N :: 123.23(3.54) 1.P160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.536 CA :: 62.038 CB :: 31.083 CG :: 26.352 CD :: 49.595 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 :: 4.383 HB3 :: 2.271 HG2 :: 1.988 HG3 :: 1.897 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.A161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.09 HN Overlap>> 1.A28 1.A28 C Shift Assignments>> C :: 176.075 CA :: 51.133 CB :: 18.398 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.325 HA :: 4.286 HB1 :: 1.360 HB2 :: 1.360 HB3 :: 1.360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.290 Ave N Shift Values>> N :: 123.23(3.54) 1.A162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.08 G 0.02 HN Overlap>> 1.A120 1.A120 C Shift Assignments>> C :: 174.569 CA :: 49.374 CB :: 17.309 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.238 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.562 Ave N Shift Values>> N :: 123.23(3.54) 1.P163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.087 CA :: 62.202 CB :: 31.136 CG :: 26.450 CD :: 49.646 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 :: 4.432 HB3 :: 2.288 HG3 :: 1.943 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.S164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.426 CA :: 57.403 CB :: 62.997 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.397 HA :: 4.431 HB3 :: 3.889 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 :: 115.571 Ave N Shift Values>> N :: 116.28(3.52) 1.N165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.75 D 0.08 Y 0.05 F 0.04 M 0.02 E 0.01 L 0.01 C Shift Assignments>> C :: 173.637 CA :: 52.157 CB :: 37.843 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 :: 8.437 HA :: 4.760 HB2 :: 2.818 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 :: 120.182 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.32 K 0.26 Q 0.2 P 0.12 M 0.07 C Shift Assignments>> C :: 172.328 CA :: 52.721 CB :: 27.878 CG :: 32.387 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 :: 8.074 HA :: 4.526 HB2 :: 1.866 HB3 :: 2.037 HG2 :: 2.302 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.899 Ave N Shift Values>> N :: 120.67(3.48) 1.P167 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> HD2 :: 3.463 HD3 :: 3.642 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.P168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 175.897 CA :: 61.964 CB :: 30.927 CG :: 26.366 CD :: 49.360 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 :: 4.316 HB3 :: 2.210 HG3 :: 1.823 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.M169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.78 A 0.21 C Shift Assignments>> C :: 174.540 CA :: 54.730 CB :: 32.064 CE :: 16.233 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 :: 8.303 HA :: 4.270 HB3 :: 1.832 HG2 :: 2.379 HG3 :: 2.427 HE1 :: 1.971 HE2 :: 1.971 HE3 :: 1.971 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 :: 119.839 Ave N Shift Values>> N :: 120.09(3.57) 1.D170 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.15 F 0.05 Y 0.05 L 0.03 C Shift Assignments>> C :: 174.092 CA :: 52.240 CB :: 38.604 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 :: 8.220 HA :: 4.573 HB2 :: 2.699 HB3 :: 2.616 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.693 Ave N Shift Values>> N :: 120.65(3.86) 1.F171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 Y 0.43 C Shift Assignments>> C :: 174.205 CA :: 57.071 CB :: 38.932 CD1 :: 130.501 CD2 :: 130.501 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 :: 8.133 HA :: 4.448 HB2 :: 2.986 HB3 :: 2.862 HD1 :: 7.108 HD2 :: 7.108 HE1 :: 7.232 HE2 :: 7.232 HZ :: 7.134 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 :: 120.081 Ave N Shift Values>> N :: 120.45(4.18) 1.D172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.68 D 0.15 Y 0.05 F 0.05 L 0.03 C Shift Assignments>> C :: 173.820 CA :: 52.392 CB :: 38.513 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 :: 8.283 HA :: 4.582 HB2 :: 2.598 HB3 :: 2.721 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.483 Ave N Shift Values>> N :: 120.65(3.86) 1.D173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.67 D 0.13 Y 0.06 F 0.06 L 0.03 M 0.01 E 0.01 C Shift Assignments>> CA :: 52.626 CB :: 38.373 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>> HA :: 4.660 HB2 :: 2.666 HB3 :: 2.841 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) 1.D174 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.71 D 0.11 Y 0.05 F 0.05 L 0.02 M 0.01 E 0.01 C Shift Assignments>> C :: 173.804 CA :: 52.422 CB :: 38.162 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 :: 8.171 HA :: 4.622 HB2 :: 2.699 HB3 :: 2.798 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 :: 118.895 Ave N Shift Values>> N :: 120.65(3.86) 1.I175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.93 A 0.06 C Shift Assignments>> C :: 173.409 CA :: 57.544 CB :: 37.840 CG1 :: 25.990 CG2 :: 16.342 CD1 :: 12.031 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 :: 7.714 HA :: 4.258 HB :: 1.710 HG12 :: 1.365 HG13 :: 0.989 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 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 :: 121.560 Ave N Shift Values>> N :: 121.46(4.28) 1.P176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 174.579 CA :: 62.252 CB :: 30.887 CG :: 26.190 CD :: 50.053 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 :: 4.315 HB2 :: 1.853 HB3 :: 2.052 HG3 :: 1.808 HD2 :: 3.637 HD3 :: 3.392 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.F177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.723 CA :: 57.639 CB :: 39.122 CD1 :: 130.630 CD2 :: 130.630 CE1 :: 128.517 CE2 :: 128.517 CZ :: 127.695 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.594 HA :: 4.387 HB2 :: 2.935 HB3 :: 3.027 HD1 :: 7.171 HD2 :: 7.171 HE1 :: 7.224 HE2 :: 7.224 HZ :: 7.141 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 :: 123.697 Ave N Shift Values>> N :: 120.45(4.18) ########################################################################### Overall Results: #Consistent: 170 #Clerical: 0 #Suspicious: 6 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 175 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 177 #Suspicious: 0 C Shift Results: #Consistent: 697 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 H Shift Results: #Consistent: 945 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 178 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N13 HA = 5.953(S), Expected = 4.67, Std = 0.3600, ChiSquare = 3.6540e-04 1.K49 HG3 = 0.325(S), Expected = 1.35, Std = 0.2800, ChiSquare = 2.5151e-04 1.E50 CG = 31.961(S), Expected = 36.11, Std = 1.1900, ChiSquare = 4.8929e-04 1.E69 CG = 31.927(S), Expected = 36.11, Std = 1.1900, ChiSquare = 4.3955e-04 1.L71 CD1 = 18.438(S), Expected = 24.72, Std = 1.5900, ChiSquare = 7.7844e-05 1.R96 HB3 = -0.143(S), Expected = 1.76, Std = 0.2800, ChiSquare = 1.0724e-11 1.T108 Typing: Mistyped 1.T108 CG2 = 28.280(S), Expected = 21.55, Std = 1.1100, ChiSquare = 1.3355e-09