Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.28 A 0.25 C Shift Assignments>> C :: 172.864 CA :: 54.790 CB :: 34.412 CG :: 31.679 CE :: 17.507 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 :: 8.962 HA :: 4.679 HB2 :: 1.923 HB3 :: 2.146 HG2 :: 2.216 HG3 :: 2.385 HE1 :: 1.752 HE2 :: 1.752 HE3 :: 1.752 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.211 Ave N Shift Values>> N :: 120.09(3.57) 1.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 M 0.25 C 0.23 K 0.13 E 0.06 HN Overlap>> 3.D5 2.V27 3.D5 2.V27 C Shift Assignments>> C :: 175.370 CA :: 54.252 CB :: 30.517 CG :: 33.886 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 :: 8.217 HA :: 5.389 HB2 :: 1.815 HB3 :: 1.924 HG2 :: 2.054 HG3 :: 2.270 HE21 :: 7.482 HE22 :: 6.671 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 122.435 NE2 :: 111.271 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 I 0.4 C Shift Assignments>> C :: 172.770 CA :: 59.361 CB :: 41.466 CG1 :: 24.485 CG2 :: 17.556 CD1 :: 13.686 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 :: 8.492 HA :: 4.468 HB :: 1.961 HG12 :: 0.945 HG13 :: 1.220 HG21 :: 0.755 HG22 :: 0.755 HG23 :: 0.755 HD11 :: 0.701 HD12 :: 0.701 HD13 :: 0.701 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 :: 115.308 Ave N Shift Values>> N :: 121.46(4.28) 1.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 Y 0.38 C 0.13 C Shift Assignments>> C :: 174.653 CA :: 55.384 CB :: 41.106 CD1 :: 132.119 CE1 :: 131.419 CZ :: 129.816 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 :: 8.706 HA :: 5.459 HB2 :: 2.820 HB3 :: 3.207 HD1 :: 7.198 HD2 :: 7.198 HE1 :: 7.444 HE2 :: 7.444 HZ :: 7.400 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 119.304 Ave N Shift Values>> N :: 120.45(4.18) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 174.225 CA :: 60.775 CB :: 32.995 CG1 :: 23.271 CG2 :: 20.398 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 :: 9.328 HA :: 4.641 HB :: 2.213 HG11 :: 0.813 HG12 :: 0.813 HG13 :: 0.813 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 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 :: 121.895 Ave N Shift Values>> N :: 121.14(4.54) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.22 N 0.14 K 0.08 F 0.07 C 0.05 Y 0.05 R 0.01 C Shift Assignments>> C :: 174.819 CA :: 53.371 CB :: 41.262 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 :: 9.359 HA :: 5.481 HB2 :: 2.854 HB3 :: 2.854 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 130.562 Ave N Shift Values>> N :: 120.65(3.86) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.09 C Shift Assignments>> C :: 173.743 CA :: 61.335 CB :: 69.948 CG2 :: 20.698 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 :: 9.320 HA :: 5.187 HB :: 4.215 HG21 :: 1.209 HG22 :: 1.209 HG23 :: 1.209 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.443 Ave N Shift Values>> N :: 115.42(4.75) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.46 HN Overlap>> 1.Q63 1.Q63 2.Q63 2.Q63 C Shift Assignments>> C :: 173.508 CA :: 59.952 CB :: 33.101 CG1 :: 20.627 CG2 :: 20.055 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.920 HA :: 4.428 HB :: 1.005 HG11 :: 0.081 HG12 :: 0.081 HG13 :: 0.081 HG21 :: -0.046 HG22 :: -0.046 HG23 :: -0.046 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 :: 125.053 Ave N Shift Values>> N :: 121.14(4.54) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.26 C 0.22 E 0.06 M 0.06 R 0.02 C Shift Assignments>> C :: 173.908 CA :: 53.728 CB :: 29.284 CG :: 34.034 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 :: 8.320 HA :: 4.693 HB2 :: 2.135 HB3 :: 2.135 HG2 :: 2.505 HG3 :: 2.505 HE21 :: 7.562 HE22 :: 6.682 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 :: 124.196 NE2 :: 108.859 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.56 C 0.43 C Shift Assignments>> C :: 175.487 CA :: 55.746 CB :: 31.662 CD1 :: 126.634 CE3 :: 120.831 CZ2 :: 114.422 CZ3 :: 122.117 CH2 :: 124.017 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 :: 8.900 HA :: 5.418 HB2 :: 2.918 HB3 :: 3.128 HD1 :: 7.200 HE1 :: 9.730 HE3 :: 7.310 HZ2 :: 7.290 HZ3 :: 6.910 HH2 :: 6.880 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 :: 125.852 NE1 :: 128.287 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.46 R 0.01 HN Overlap>> 2.F46 2.F46 C Shift Assignments>> C :: 175.067 CA :: 55.334 CB :: 35.540 CG :: 24.468 CD :: 28.755 CE :: 41.054 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 :: 8.690 HA :: 4.685 HB2 :: 1.815 HB3 :: 1.815 HG2 :: 1.347 HG3 :: 1.474 HD2 :: 1.684 HE2 :: 2.932 HE3 :: 2.932 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 :: 120.604 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.220 CA :: 62.563 CB :: 70.312 CG2 :: 21.837 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 :: 8.875 HA :: 5.507 HB :: 3.901 HG21 :: 1.336 HG22 :: 1.336 HG23 :: 1.336 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.732 Ave N Shift Values>> N :: 115.42(4.75) 1.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 174.498 CA :: 59.638 CB :: 41.057 CG1 :: 27.119 CG2 :: 17.280 CD1 :: 14.172 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 :: 9.581 HA :: 4.712 HB :: 2.057 HG12 :: 1.188 HG13 :: 1.595 HG21 :: 1.013 HG22 :: 1.013 HG23 :: 1.013 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 :: 127.145 Ave N Shift Values>> N :: 121.46(4.28) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.358 CA :: 61.296 CB :: 69.696 CG2 :: 21.311 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 :: 8.570 HA :: 5.106 HB :: 4.098 HG21 :: 1.188 HG22 :: 1.188 HG23 :: 1.188 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 119.360 Ave N Shift Values>> N :: 115.42(4.75) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.3 L 0.16 A 0.02 C Shift Assignments>> C :: 174.423 CA :: 52.669 CB :: 46.941 CG :: 26.263 CD1 :: 24.431 CD2 :: 26.235 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 :: 8.703 HA :: 4.872 HB2 :: 1.412 HB3 :: 1.412 HG :: 1.530 HD11 :: 0.871 HD12 :: 0.871 HD13 :: 0.871 HD21 :: 0.838 HD22 :: 0.838 HD23 :: 0.838 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 :: 124.824 Ave N Shift Values>> N :: 121.86(3.9) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 C 0.31 K 0.09 Q 0.07 M 0.06 I 0.02 HN Overlap>> 1.V27 3.E62 1.V27 3.E62 C Shift Assignments>> C :: 175.723 CA :: 55.588 CB :: 29.748 CG :: 36.243 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 :: 8.211 HA :: 4.973 HB2 :: 2.006 HB3 :: 2.058 HG2 :: 2.244 HG3 :: 2.244 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 :: 122.644 Ave N Shift Values>> N :: 120.67(3.48) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 V 0.09 A 0.02 C Shift Assignments>> C :: 173.496 CA :: 58.558 CB :: 36.057 CG1 :: 22.184 CG2 :: 18.834 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 :: 8.724 HA :: 4.794 HB :: 2.473 HG11 :: 0.824 HG12 :: 0.824 HG13 :: 0.824 HG21 :: 0.585 HG22 :: 0.585 HG23 :: 0.585 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 :: 117.146 Ave N Shift Values>> N :: 121.14(4.54) 1.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 C 0.31 E 0.21 Q 0.1 K 0.02 C Shift Assignments>> C :: 175.786 CA :: 53.273 CB :: 31.204 CG :: 35.552 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 :: 8.601 HA :: 5.046 HB2 :: 1.781 HB3 :: 2.213 HG2 :: 2.280 HG3 :: 2.394 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 :: 118.536 Ave N Shift Values>> N :: 120.67(3.48) 1.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.86 C 0.13 C Shift Assignments>> C :: 175.197 CA :: 65.276 CB :: 31.253 CG :: 27.691 CD :: 50.387 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 :: 4.233 HB2 :: 2.102 HB3 :: 2.514 HG2 :: 2.179 HG3 :: 2.293 HD2 :: 3.901 HD3 :: 4.058 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) N Shift Assignments>> N :: 117.883 Ave N Shift Values>> N :: 134.16(6.62) 1.S21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> S 0.99 C Shift Assignments>> C :: 174.265 CA :: 57.058 CB :: 63.257 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.184 HA :: 4.491 HB2 :: 3.903 HB3 :: 4.253 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 :: 104.194(S) Ave N Shift Values>> N :: 116.28(3.52) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 F 0.15 Y 0.13 K 0.08 N 0.07 C 0.07 I 0.01 HN Overlap>> 3.R72 3.R72 C Shift Assignments>> C :: 176.149 CA :: 55.491 CB :: 40.735 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 :: 8.100 HA :: 4.780 HB2 :: 2.622 HB3 :: 3.041 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 :: 123.947 Ave N Shift Values>> N :: 120.65(3.86) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.73 C 0.25 C Shift Assignments>> C :: 176.424 CA :: 59.328 CB :: 70.932 CG2 :: 21.955 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.912 HA :: 5.039 HB :: 4.913 HG21 :: 1.370 HG22 :: 1.370 HG23 :: 1.370 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 :: 109.442 Ave N Shift Values>> N :: 115.42(4.75) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 I 0.09 C Shift Assignments>> C :: 178.546 CA :: 62.165 CB :: 34.146 CG1 :: 27.789 CG2 :: 17.967 CD1 :: 9.324 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 :: 8.627 HA :: 3.770 HB :: 2.642 HG12 :: 1.412 HG13 :: 2.005 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 HD11 :: 0.689 HD12 :: 0.689 HD13 :: 0.689 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 :: 121.891 Ave N Shift Values>> N :: 121.46(4.28) 1.E25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 I 0.24 E 0.22 K 0.08 Q 0.05 C Shift Assignments>> C :: 178.521 CA :: 60.243 CB :: 28.564 CG :: 35.725 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 :: 10.018 HA :: 4.001 HB2 :: 2.138 HB3 :: 2.138 HG2 :: 2.429 HG3 :: 2.429 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.504 Ave N Shift Values>> N :: 120.67(3.48) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 Y 0.19 C 0.17 F 0.15 D 0.08 E 0.06 L 0.03 M 0.02 I 0.02 C Shift Assignments>> C :: 177.957 CA :: 55.457 CB :: 38.117 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.999 HA :: 4.644 HB2 :: 2.925 HB3 :: 3.327 HD21 :: 7.917 HD22 :: 6.952 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.089 ND2 :: 109.812 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 HN Overlap>> 1.E17 1.E17 3.D5 3.E62 3.D5 3.E62 C Shift Assignments>> C :: 177.488 CA :: 67.529 CB :: 30.635 CG1 :: 23.419 CG2 :: 20.906 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 :: 8.271 HA :: 3.522 HB :: 2.458 HG11 :: 1.098 HG12 :: 1.098 HG13 :: 1.098 HG21 :: 0.829 HG22 :: 0.829 HG23 :: 0.829 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 :: 122.594 Ave N Shift Values>> N :: 121.14(4.54) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 R 0.28 K 0.17 C Shift Assignments>> C :: 180.240 CA :: 59.017 CB :: 33.429 CG :: 27.217 CD :: 29.814 CE :: 41.895 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 :: 8.619 HA :: 4.731 HB2 :: 1.557 HB3 :: 1.605 HG2 :: 1.746 HG3 :: 1.746 HD2 :: 1.592 HD3 :: 1.592 HE2 :: 3.091 HE3 :: 3.158 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.198 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.32 I 0.03 C 0.02 HN Overlap>> 3.S90 3.S90 C Shift Assignments>> C :: 179.959 CA :: 55.040 CB :: 17.522 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.054 HA :: 4.271 HB1 :: 1.728 HB2 :: 1.728 HB3 :: 1.728 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.234 Ave N Shift Values>> N :: 123.23(3.54) 1.K30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.32 R 0.15 C Shift Assignments>> C :: 179.842 CA :: 59.591 CB :: 33.000 CG :: 26.189 CD :: 29.999 CE :: 41.733 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 :: 8.116 HA :: 4.294 HB2 :: 2.026 HB3 :: 2.255 HG2 :: 1.911 HG3 :: 1.911 HD2 :: 1.593 HD3 :: 1.593 HE2 :: 3.144 HE3 :: 3.144 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 :: 120.840 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 177.853 CA :: 65.940 CB :: 36.694 CG1 :: 30.893 CG2 :: 16.973 CD1 :: 13.995 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 :: 8.429 HA :: 3.605 HB :: 2.398 HG12 :: 0.820 HG13 :: 2.119 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 HD11 :: 0.970 HD12 :: 0.970 HD13 :: 0.970 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 :: 121.911 Ave N Shift Values>> N :: 121.46(4.28) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 Q 0.17 K 0.14 R 0.11 I 0.04 P 0.03 E 0.02 C Shift Assignments>> C :: 178.714 CA :: 59.897 CB :: 27.514 CG :: 33.577 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 :: 8.605 HA :: 3.962 HB2 :: 2.103 HB3 :: 2.569 HG2 :: 2.045 HG3 :: 2.389 HE21 :: 7.645 HE22 :: 6.814 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 :: 123.666 NE2 :: 109.860 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 Y 0.18 L 0.16 K 0.14 D 0.12 C 0.09 I 0.03 N 0.01 R 0.01 C Shift Assignments>> C :: 177.024 CA :: 57.133 CB :: 40.985 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.251 HA :: 4.443 HB2 :: 2.847 HB3 :: 2.935 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.318 Ave N Shift Values>> N :: 120.65(3.86) 1.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.46 R 0.05 HN Overlap>> 3.S37 3.S37 C Shift Assignments>> C :: 177.571 CA :: 58.170 CB :: 33.919 CG :: 24.915 CD :: 28.968 CE :: 41.780 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.719 HA :: 4.386 HB2 :: 2.010 HB3 :: 2.010 HG2 :: 1.722 HG3 :: 1.722 HD2 :: 1.834 HD3 :: 1.834 HE2 :: 3.273 HE3 :: 3.273 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.228 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.35 E 0.17 Q 0.03 C Shift Assignments>> C :: 177.571 CA :: 55.003 CB :: 32.925 CG :: 35.792 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 :: 8.742 HA :: 4.688 HB2 :: 1.785 HB3 :: 1.785 HG2 :: 1.843 HG3 :: 2.327 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.230 Ave N Shift Values>> N :: 120.67(3.48) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 HN Overlap>> 2.G36 2.G36 C Shift Assignments>> C :: 173.702 CA :: 45.729 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.517 HA2 :: 4.027 HA3 :: 4.244 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.134 Ave N Shift Values>> N :: 109.67(3.87) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 C 0.46 A 0.05 C Shift Assignments>> C :: 173.048 CA :: 57.531 CB :: 40.096 CG1 :: 26.701 CG2 :: 18.150 CD1 :: 13.075 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 :: 6.278 HA :: 4.483 HB :: 1.537 HG12 :: 1.194 HG13 :: 1.474 HG21 :: 1.040 HG22 :: 1.040 HG23 :: 1.040 HD11 :: 0.864 HD12 :: 0.864 HD13 :: 0.864 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 :: 120.784 Ave N Shift Values>> N :: 121.46(4.28) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.52 P 0.47 C Shift Assignments>> CA :: 61.194 CB :: 31.379 CG :: 27.799 CD :: 50.793 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 :: 4.578 HB2 :: 2.113 HB3 :: 2.517 HG2 :: 2.147 HG3 :: 2.147 HD2 :: 3.671 HD3 :: 4.286 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.P39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 178.171 CA :: 65.666 CB :: 32.371 CG :: 27.307 CD :: 50.764 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 :: 4.256 HB2 :: 2.126 HB3 :: 2.343 HG2 :: 1.771 HG3 :: 2.279 HD2 :: 3.867 HD3 :: 3.867 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.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 F 0.18 Y 0.17 N 0.16 L 0.11 C 0.1 I 0.01 C Shift Assignments>> C :: 176.700 CA :: 55.407 CB :: 39.638 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 :: 8.571 HA :: 4.504 HB2 :: 2.800 HB3 :: 2.800 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 113.538 Ave N Shift Values>> N :: 120.65(3.86) 1.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.27 C 0.22 M 0.12 R 0.03 E 0.02 C Shift Assignments>> C :: 174.643 CA :: 55.104 CB :: 29.693 CG :: 33.193 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 :: 7.804 HA :: 4.566 HB2 :: 2.538 HB3 :: 2.538 HG2 :: 2.480 HG3 :: 2.480 HE21 :: 7.660 HE22 :: 6.776 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 :: 117.364 NE2 :: 110.975 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q42 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> M 0.4 C 0.26 Q 0.23 K 0.07 E 0.01 C Shift Assignments>> C :: 175.511 CA :: 54.681 CB :: 31.191 CG :: 33.011 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 :: 7.432 HA :: 4.280 HB2 :: 2.010 HB3 :: 2.010 HG2 :: 1.762 HG3 :: 2.649 HE21 :: 6.616 HE22 :: 6.143 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 :: 117.484 NE2 :: 104.059(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.3 K 0.2 L 0.03 G 0.01 HN Overlap>> 2.A29 2.A29 C Shift Assignments>> C :: 173.496 CA :: 54.997 CB :: 29.797 CG :: 26.670 CD :: 42.452 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.817 HA :: 4.646 HB2 :: 1.894 HB3 :: 1.894 HG2 :: 1.676 HG3 :: 1.676 HD2 :: 3.707 HD3 :: 3.707 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 :: 123.215 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.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.28 C 0.12 C Shift Assignments>> C :: 175.472 CA :: 53.223 CB :: 45.191 CG :: 26.700 CD1 :: 24.418 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 :: 8.774 HA :: 5.447 HB2 :: 1.314 HB3 :: 1.663 HG :: 1.589 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 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 :: 124.953 Ave N Shift Values>> N :: 121.86(3.9) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.49 C Shift Assignments>> C :: 175.329 CA :: 58.907 CB :: 41.149 CG1 :: 27.745 CG2 :: 17.874 CD1 :: 12.806 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 :: 9.490 HA :: 5.038 HB :: 1.736 HG12 :: 1.126 HG13 :: 1.281 HG21 :: 0.686 HG22 :: 0.686 HG23 :: 0.686 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 :: 123.915 Ave N Shift Values>> N :: 121.46(4.28) 1.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 F 0.3 G 0.17 C 0.13 C Shift Assignments>> C :: 174.101 CA :: 56.866 CB :: 43.681 CD1 :: 132.134 CE1 :: 132.299 CZ :: 130.119 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 :: 8.820 HA :: 5.035 HB2 :: 2.880 HB3 :: 3.123 HD1 :: 7.460 HD2 :: 7.460 HE1 :: 7.616 HE2 :: 7.616 HZ :: 7.670 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 :: 125.561 Ave N Shift Values>> N :: 120.45(4.18) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.39 C 0.01 C Shift Assignments>> C :: 176.876 CA :: 52.364 CB :: 16.396 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.681 HA :: 3.685 HB1 :: 0.991 HB2 :: 0.991 HB3 :: 0.991 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.731 Ave N Shift Values>> N :: 123.23(3.54) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 173.160 CA :: 45.444 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.280 HA2 :: 3.490 HA3 :: 4.029 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.549 Ave N Shift Values>> N :: 109.67(3.87) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.37 R 0.08 G 0.03 A 0.01 C Shift Assignments>> C :: 174.260 CA :: 54.120 CB :: 34.565 CG :: 24.066 CD :: 28.774 CE :: 42.577 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.859 HA :: 4.344 HB2 :: 1.602 HB3 :: 1.602 HG2 :: 1.529 HG3 :: 1.529 HD2 :: 1.881 HD3 :: 1.881 HE2 :: 3.098 HE3 :: 3.098 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.144 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 C 0.28 K 0.2 R 0.13 E 0.04 M 0.01 C Shift Assignments>> C :: 175.560 CA :: 55.628 CB :: 27.601 CG :: 33.919 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 :: 8.651 HA :: 4.731 HB2 :: 1.939 HB3 :: 1.939 HG2 :: 2.176 HG3 :: 2.276 HE21 :: 7.262 HE22 :: 6.823 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 :: 122.914 NE2 :: 110.109 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 C 0.21 L 0.05 C Shift Assignments>> C :: 176.529 CA :: 54.293 CB :: 40.940 CG :: 25.359 CD1 :: 25.573 CD2 :: 19.395 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 :: 8.631 HA :: 4.176 HB2 :: 1.168 HB3 :: 1.572 HG :: 1.533 HD11 :: 0.614 HD12 :: 0.614 HD13 :: 0.614 HD21 :: -0.037 HD22 :: -0.037 HD23 :: -0.037 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 :: 125.920 Ave N Shift Values>> N :: 121.86(3.9) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.31 M 0.26 Q 0.02 C Shift Assignments>> C :: 175.302 CA :: 55.715 CB :: 31.891 CG :: 36.313 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 :: 8.396 HA :: 4.573 HB2 :: 2.095 HB3 :: 2.095 HG2 :: 2.425 HG3 :: 2.521 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 :: 123.245 Ave N Shift Values>> N :: 120.67(3.48) 1.D53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.18 L 0.16 D 0.16 K 0.09 C 0.09 N 0.03 I 0.02 C Shift Assignments>> C :: 177.302 CA :: 56.662 CB :: 40.735 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 :: 4.478 HB2 :: 2.717 HB3 :: 2.717 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.752 Ave N Shift Values>> N :: 120.65(3.86) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> CA :: 44.982 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.513 HA2 :: 4.205 HA3 :: 4.205 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.415 Ave N Shift Values>> N :: 109.67(3.87) 1.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 C 0.33 K 0.26 G 0.01 C Shift Assignments>> C :: 175.042 CA :: 54.142 CB :: 32.337 CG :: 27.253 CD :: 42.208 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.525 HA :: 4.774 HB2 :: 2.154 HB3 :: 2.354 HG2 :: 1.718 HG3 :: 1.925 HD2 :: 3.171 HD3 :: 3.235 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.355 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.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 C 0.37 C Shift Assignments>> C :: 176.190 CA :: 59.618 CB :: 72.127 CG2 :: 22.010 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 :: 8.900 HA :: 5.329 HB :: 4.611 HG21 :: 1.253 HG22 :: 1.253 HG23 :: 1.253 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 :: 109.020 Ave N Shift Values>> N :: 115.42(4.75) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.4 C Shift Assignments>> C :: 180.337 CA :: 58.495 CB :: 40.064 CG :: 26.337 CD1 :: 26.367 CD2 :: 22.736 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 :: 8.319 HA :: 4.158 HB2 :: 1.325 HB3 :: 2.169 HG :: 1.866 HD11 :: 0.894 HD12 :: 0.894 HD13 :: 0.894 HD21 :: 0.735 HD22 :: 0.735 HD23 :: 0.735 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.152 Ave N Shift Values>> N :: 121.86(3.9) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 2.S58 2.S58 C Shift Assignments>> C :: 177.737 CA :: 60.916 CB :: 62.514 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.417 HA :: 4.375 HB2 :: 3.880 HB3 :: 3.966 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.289 Ave N Shift Values>> N :: 116.28(3.52) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.24 D 0.12 C 0.11 L 0.11 I 0.05 K 0.03 N 0.02 C Shift Assignments>> C :: 177.067 CA :: 57.180 CB :: 40.207 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 :: 8.000 HA :: 4.396 HB2 :: 2.378 HB3 :: 3.065 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 :: 124.551 Ave N Shift Values>> N :: 120.65(3.86) 1.Y60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.35 C Shift Assignments>> C :: 174.340 CA :: 57.901 CB :: 39.726 CD1 :: 133.638 CE1 :: 118.820 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 :: 7.363 HA :: 4.776 HB2 :: 2.632 HB3 :: 3.571 HD1 :: 7.374 HD2 :: 7.374 HE1 :: 7.007 HE2 :: 7.007 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 115.822 Ave N Shift Values>> N :: 120.52(4.2) 1.N61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 C 0.19 E 0.12 Y 0.09 M 0.07 F 0.06 D 0.03 K 0.01 L 0.01 HN Overlap>> 3.S4 3.S4 C Shift Assignments>> C :: 173.830 CA :: 54.116 CB :: 37.121 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 :: 8.213 HA :: 4.454 HB2 :: 2.937 HB3 :: 3.419 HD21 :: 7.566 HD22 :: 6.859 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 :: 115.717 ND2 :: 111.287 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.7 C 0.29 HN Overlap>> 2.R55 2.R55 C Shift Assignments>> C :: 174.101 CA :: 62.232 CB :: 36.615 CG1 :: 28.161 CG2 :: 17.216 CD1 :: 13.891 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 :: 7.342 HA :: 3.498 HB :: 1.491 HG12 :: -0.221(S) HG13 :: 1.172 HG21 :: 0.620 HG22 :: 0.620 HG23 :: 0.620 HD11 :: 0.491 HD12 :: 0.491 HD13 :: 0.491 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.372 Ave N Shift Values>> N :: 121.46(4.28) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 C 0.26 Q 0.18 K 0.02 E 0.01 HN Overlap>> 1.V9 1.R75 2.Q63 1.V9 1.R75 2.Q63 C Shift Assignments>> C :: 175.026 CA :: 53.625 CB :: 31.623 CG :: 33.083 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 :: 7.877 HA :: 4.646 HB2 :: 1.984 HB3 :: 1.984 HG2 :: 2.428 HG3 :: 2.428 HE21 :: 7.339 HE22 :: 6.846 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 :: 125.059 NE2 :: 111.942 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.06 C Shift Assignments>> C :: 176.015 CA :: 58.220 CB :: 32.046 CG :: 24.180 CD :: 29.339 CE :: 41.613 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 :: 8.377 HA :: 4.069 HB2 :: 1.991 HB3 :: 2.329 HG2 :: 1.655 HG3 :: 1.655 HD2 :: 1.683 HD3 :: 1.683 HE3 :: 2.936 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 :: 120.053 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.36 E 0.08 L 0.02 K 0.02 C Shift Assignments>> C :: 174.978 CA :: 58.591 CB :: 26.422 CG :: 37.367 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 :: 9.255 HA :: 3.551 HB2 :: 2.516 HB3 :: 2.612 HG2 :: 2.345 HG3 :: 2.345 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 :: 116.073 Ave N Shift Values>> N :: 120.67(3.48) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 3.R46 3.R46 C Shift Assignments>> C :: 171.060 CA :: 60.794 CB :: 64.733 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.005 HA :: 4.657 HB2 :: 3.838 HB3 :: 3.954 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 :: 115.844 Ave N Shift Values>> N :: 116.28(3.52) 1.A67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.9 C 0.04 L 0.04 C Shift Assignments>> C :: 176.429 CA :: 50.209 CB :: 21.041 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.541 HA :: 5.722(S) HB1 :: 1.585 HB2 :: 1.585 HB3 :: 1.585 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.767 Ave N Shift Values>> N :: 123.23(3.54) 1.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 C 0.28 L 0.24 R 0.13 C Shift Assignments>> C :: 175.217 CA :: 53.877 CB :: 44.197 CG :: 28.958 CD1 :: 24.420 CD2 :: 25.282 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 :: 9.153 HA :: 5.111 HB2 :: 1.756 HB3 :: 1.804 HG :: 1.884 HD11 :: 0.942 HD12 :: 0.942 HD13 :: 0.942 HD21 :: 0.784 HD22 :: 0.784 HD23 :: 0.784 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.994 Ave N Shift Values>> N :: 121.86(3.9) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.44 C Shift Assignments>> C :: 173.511 CA :: 59.764 CB :: 40.723 CG1 :: 28.214 CG2 :: 17.146 CD1 :: 13.282 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 :: 8.870 HA :: 4.950 HB :: 1.730 HG12 :: 0.952 HG13 :: 1.281 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 HD11 :: 1.108 HD12 :: 1.108 HD13 :: 1.108 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 :: 121.852 Ave N Shift Values>> N :: 121.46(4.28) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 G 0.26 C 0.16 R 0.01 C Shift Assignments>> C :: 173.750 CA :: 53.246 CB :: 44.064 CG :: 27.046 CD1 :: 24.683 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 :: 8.820 HA :: 5.327 HB2 :: 1.165 HB3 :: 1.789 HG :: 1.508 HD11 :: 0.929 HD12 :: 0.929 HD13 :: 0.929 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 128.576 Ave N Shift Values>> N :: 121.86(3.9) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 G 0.18 C 0.16 C Shift Assignments>> C :: 174.946 CA :: 53.443 CB :: 43.641 CD1 :: 25.045 CD2 :: 25.523 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 :: 8.896 HA :: 4.890 HB2 :: 1.220 HB3 :: 1.461 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 HD21 :: 0.159 HD22 :: 0.159 HD23 :: 0.159 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 :: 126.085 Ave N Shift Values>> N :: 121.86(3.9) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.19 G 0.12 R 0.03 A 0.02 C Shift Assignments>> C :: 176.605 CA :: 53.715 CB :: 43.551 CG :: 27.482 CD1 :: 24.613 CD2 :: 23.652 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 :: 8.513 HA :: 5.218 HB2 :: 1.712 HB3 :: 1.821 HG :: 1.715 HD11 :: 0.890 HD12 :: 0.890 HD13 :: 0.890 HD21 :: 0.976 HD22 :: 0.976 HD23 :: 0.976 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.853 Ave N Shift Values>> N :: 121.86(3.9) 1.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.702 CA :: 60.933 CB :: 69.718 CG2 :: 20.909 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 :: 8.603 HA :: 4.694 HB :: 4.172 HG21 :: 1.021 HG22 :: 1.021 HG23 :: 1.021 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.073 Ave N Shift Values>> N :: 115.42(4.75) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.24 K 0.1 G 0.02 C Shift Assignments>> C :: 175.935 CA :: 55.097 CB :: 42.605 CG :: 26.706 CD1 :: 24.040 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 :: 8.431 HA :: 4.450 HB2 :: 1.603 HB3 :: 1.695 HG :: 1.486 HD11 :: 0.987 HD12 :: 0.987 HD13 :: 0.987 HD21 :: 0.987 HD22 :: 0.987 HD23 :: 0.987 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 :: 125.957 Ave N Shift Values>> N :: 121.86(3.9) 1.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.4 K 0.1 G 0.04 HN Overlap>> 1.Q63 1.Q63 2.Q63 2.Q63 C Shift Assignments>> C :: 180.193 CA :: 56.863 CB :: 31.469 CG :: 26.625 CD :: 43.204 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.771 HA :: 4.279 HB2 :: 1.783 HB3 :: 1.942 HG2 :: 1.585 HG3 :: 1.585 HD2 :: 3.183 HD3 :: 3.305 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 :: 125.050 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.M2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Q3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.33 W 0.31 HN Overlap>> 2.K28 2.K28 C Shift Assignments>> CA :: 55.163 CD1 :: 132.227 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 :: 8.514 HD1 :: 7.016 HD2 :: 7.016 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 :: 118.859 Ave N Shift Values>> N :: 120.45(4.18) 2.V6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.18 L 0.12 N 0.11 M 0.09 A 0.09 Q 0.06 R 0.06 K 0.05 C 0.05 W 0.04 E 0.03 F 0.03 Y 0.03 C Shift Assignments>> CA :: 54.554 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 :: 9.091 HA :: 5.272 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 130.765 Ave N Shift Values>> N :: 120.65(3.86) 2.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.23 T 0.18 V 0.17 C 0.09 S 0.05 F 0.05 Y 0.05 P 0.04 W 0.04 E 0.01 R 0.01 K 0.01 C Shift Assignments>> CA :: 61.232 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 :: 9.279 HA :: 4.725 HG21 :: 0.895 HG22 :: 0.895 HG23 :: 0.895 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.834 Ave N Shift Values>> N :: 115.42(4.75) 2.V9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 A 0.19 D 0.15 L 0.08 M 0.06 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.01 C Shift Assignments>> CA :: 53.673 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 :: 8.258 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 :: 123.738 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.W11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.97 Y 0.02 C Shift Assignments>> CZ2 :: 114.986 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>> HD1 :: 7.207 HE1 :: 10.050 HZ2 :: 7.397 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>> NE1 :: 129.357 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 2.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.72 K 0.25 G 0.01 C Shift Assignments>> CA :: 53.138 CB :: 36.019 CE :: 41.523 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 :: 8.640 HB2 :: 1.615 HB3 :: 1.615 HE2 :: 2.715 HE3 :: 2.715 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) 2.T13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.47 V 0.46 C 0.05 C Shift Assignments>> CA :: 61.705 CG2 :: 21.773 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 :: 8.669 HA :: 5.373 HG21 :: 1.128 HG22 :: 1.128 HG23 :: 1.128 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) 2.I14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 S 0.12 Y 0.1 F 0.1 I 0.1 W 0.08 T 0.07 V 0.07 E 0.04 K 0.04 R 0.03 Q 0.02 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.808 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 :: 9.352 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 :: 128.553 Ave N Shift Values>> N :: 121.46(4.28) 2.T15 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L16 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.31 N 0.25 D 0.12 L 0.06 M 0.05 C 0.03 R 0.03 Q 0.02 W 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 52.792 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 :: 8.393 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.909 Ave N Shift Values>> N :: 120.67(3.48) 2.V18 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.527 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 :: 116.704 Ave N Shift Values>> N :: 121.14(4.54) 2.E19 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P20 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S21 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D22 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T23 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.23 V 0.21 I 0.21 P 0.1 C 0.06 S 0.05 F 0.03 Y 0.02 W 0.02 C Shift Assignments>> CA :: 62.059 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.503 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 :: 121.735 Ave N Shift Values>> N :: 121.46(4.28) 2.E25 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N26 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.53 V 0.27 I 0.09 S 0.04 P 0.02 C 0.02 HN Overlap>> 1.Q3 3.D5 1.Q3 3.D5 C Shift Assignments>> CA :: 67.436 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 :: 8.148 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 :: 122.452 Ave N Shift Values>> N :: 121.14(4.54) 2.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.14 C 0.13 Y 0.11 F 0.11 W 0.09 E 0.06 K 0.05 R 0.05 I 0.04 Q 0.04 M 0.03 V 0.03 T 0.03 L 0.01 HN Overlap>> 3.L36 3.L36 2.F5 2.F5 C Shift Assignments>> CA :: 58.890 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 :: 8.496 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 :: 118.872 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 A 0.3 I 0.03 C 0.01 HN Overlap>> 1.R43 1.R43 C Shift Assignments>> CA :: 55.096 CB :: 17.432 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.871 HA :: 4.089 HB1 :: 1.548 HB2 :: 1.548 HB3 :: 1.548 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.152 Ave N Shift Values>> N :: 123.23(3.54) 2.K30 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.3 T 0.2 S 0.19 I 0.14 P 0.11 C 0.02 C Shift Assignments>> CA :: 65.939 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 :: 8.317 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.112 Ave N Shift Values>> N :: 121.46(4.28) 2.Q32 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D33 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.12 F 0.12 C 0.12 W 0.1 S 0.09 E 0.08 K 0.07 R 0.06 Q 0.05 M 0.04 L 0.02 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.147 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.565 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.143 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 S 0.13 Y 0.11 F 0.11 W 0.09 I 0.08 V 0.05 E 0.05 T 0.05 K 0.04 R 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.503 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 :: 8.581 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.967 Ave N Shift Values>> N :: 120.67(3.48) 2.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 HN Overlap>> 1.G36 1.G36 C Shift Assignments>> CA :: 45.707 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.430 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.085 Ave N Shift Values>> N :: 109.67(3.87) 2.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.11 F 0.1 Y 0.1 C 0.1 E 0.1 K 0.08 R 0.08 S 0.07 Q 0.07 M 0.05 L 0.03 I 0.01 D 0.01 V 0.01 C Shift Assignments>> CA :: 57.737 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 :: 6.094 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 :: 120.827 Ave N Shift Values>> N :: 121.46(4.28) 2.P38 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.P39 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.14 M 0.11 D 0.1 Q 0.09 R 0.08 K 0.07 C 0.05 W 0.05 E 0.05 N 0.04 F 0.04 Y 0.04 A 0.03 S 0.01 C Shift Assignments>> CA :: 55.436 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 :: 8.456 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 :: 113.493 Ave N Shift Values>> N :: 120.65(3.86) 2.Q41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.14 M 0.11 D 0.11 Q 0.09 R 0.08 K 0.07 C 0.05 W 0.05 E 0.05 N 0.05 F 0.04 Y 0.04 A 0.04 S 0.01 C Shift Assignments>> CA :: 55.368 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 :: 7.572 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 :: 117.591 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.12 L 0.1 Q 0.1 R 0.1 K 0.09 E 0.07 W 0.07 C 0.06 D 0.06 F 0.05 Y 0.05 S 0.02 N 0.02 A 0.01 C Shift Assignments>> CA :: 56.080 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 :: 7.187 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.268 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.R43 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.31 N 0.25 D 0.12 L 0.06 M 0.05 C 0.03 R 0.03 Q 0.02 W 0.02 K 0.02 F 0.01 Y 0.01 E 0.01 C Shift Assignments>> CA :: 52.807 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 :: 8.640 HA :: 5.509 HB2 :: 1.411 HB3 :: 1.411 HD11 :: 0.722 HD12 :: 0.722 HD13 :: 0.722 HD21 :: 0.722 HD22 :: 0.722 HD23 :: 0.722 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 :: 126.068 Ave N Shift Values>> N :: 121.86(3.9) 2.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.34 N 0.25 D 0.11 L 0.05 M 0.04 C 0.03 P 0.03 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 C Shift Assignments>> CA :: 52.167 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 :: 9.056 HA :: 5.400 HB2 :: 3.476 HB3 :: 3.476 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.956 Ave N Shift Values>> N :: 120.65(3.86) 2.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.11 Q 0.1 K 0.1 E 0.09 M 0.09 W 0.08 C 0.07 F 0.07 L 0.06 Y 0.06 S 0.04 D 0.03 N 0.01 HN Overlap>> 1.K12 1.K12 C Shift Assignments>> CA :: 56.753 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 :: 8.654 HA :: 4.954 HB2 :: 2.683 HB3 :: 2.978 HD1 :: 7.276 HD2 :: 7.276 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 :: 120.631 Ave N Shift Values>> N :: 120.45(4.18) 2.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.34 N 0.25 D 0.11 L 0.05 M 0.04 C 0.03 P 0.02 R 0.02 Q 0.02 W 0.01 K 0.01 F 0.01 C Shift Assignments>> CA :: 52.249 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.563 HA :: 3.577 HB1 :: 0.815 HB2 :: 0.815 HB3 :: 0.815 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.781 Ave N Shift Values>> N :: 123.23(3.54) 2.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.199 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.821 HA2 :: 3.630 HA3 :: 4.031 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.342 Ave N Shift Values>> N :: 109.67(3.87) 2.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.18 D 0.16 A 0.14 L 0.1 M 0.07 R 0.05 Q 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.023 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.710 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 :: 121.384 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Q50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.15 A 0.12 L 0.11 M 0.08 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.03 F 0.02 Y 0.02 C Shift Assignments>> CA :: 54.229 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 :: 8.553 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 :: 125.834 Ave N Shift Values>> N :: 121.86(3.9) 2.E52 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.D53 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.G54 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.R55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 N 0.16 A 0.13 L 0.1 M 0.08 Q 0.05 R 0.05 C 0.04 K 0.04 W 0.03 E 0.02 F 0.02 Y 0.02 HN Overlap>> 1.I62 1.I62 C Shift Assignments>> CA :: 54.114 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.388 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.419 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.13 S 0.13 Y 0.11 F 0.11 W 0.09 I 0.08 E 0.05 V 0.05 T 0.05 K 0.04 R 0.04 Q 0.03 M 0.02 L 0.01 C Shift Assignments>> CA :: 59.476 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 :: 8.748 HA :: 5.231 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 108.736 Ave N Shift Values>> N :: 115.42(4.75) 2.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.12 Y 0.12 F 0.12 S 0.1 W 0.1 E 0.08 K 0.07 R 0.06 Q 0.05 M 0.04 I 0.02 L 0.02 V 0.01 T 0.01 HN Overlap>> 3.E34 3.E34 C Shift Assignments>> CA :: 58.283 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.138 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 :: 117.791 Ave N Shift Values>> N :: 121.86(3.9) 2.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.2 T 0.15 V 0.14 C 0.11 S 0.07 F 0.07 Y 0.06 W 0.05 P 0.02 E 0.02 R 0.01 K 0.01 Q 0.01 HN Overlap>> 1.S58 1.S58 C Shift Assignments>> CA :: 60.893 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.390 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.216 Ave N Shift Values>> N :: 116.28(3.52) 2.D59 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.Y60 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.N61 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.I62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.23 V 0.23 I 0.19 P 0.12 S 0.07 C 0.05 F 0.02 Y 0.02 W 0.01 C Shift Assignments>> CA :: 62.283 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 :: 7.201 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.336 Ave N Shift Values>> N :: 121.46(4.28) 2.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.26 N 0.25 D 0.13 L 0.07 M 0.05 C 0.03 R 0.03 Q 0.03 K 0.02 W 0.02 F 0.01 E 0.01 Y 0.01 HN Overlap>> 1.Q63 1.V9 1.R75 1.Q63 1.V9 1.R75 C Shift Assignments>> CA :: 53.300 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 :: 7.820 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 :: 125.016 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.12 Y 0.12 C 0.11 W 0.1 S 0.09 E 0.08 K 0.07 R 0.07 Q 0.05 M 0.04 L 0.03 I 0.02 V 0.01 T 0.01 D 0.01 C Shift Assignments>> CA :: 58.078 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 :: 8.314 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.839 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.12 S 0.12 Y 0.12 F 0.11 W 0.1 E 0.07 K 0.06 R 0.06 Q 0.05 M 0.03 I 0.03 L 0.02 V 0.02 T 0.01 C Shift Assignments>> CA :: 58.461 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 :: 8.662 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 :: 118.239 Ave N Shift Values>> N :: 120.67(3.48) 2.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.19 T 0.15 V 0.14 C 0.11 S 0.07 F 0.07 Y 0.07 W 0.05 P 0.02 E 0.02 R 0.02 K 0.01 Q 0.01 HN Overlap>> 3.F48 3.F48 C Shift Assignments>> CA :: 60.825 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.899 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 :: 115.937 Ave N Shift Values>> N :: 116.28(3.52) 2.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.91 C 0.04 L 0.03 C Shift Assignments>> CA :: 50.079 CB :: 21.022 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.562 HA :: 5.688 HB1 :: 1.425 HB2 :: 1.425 HB3 :: 1.425 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.140 Ave N Shift Values>> N :: 123.23(3.54) 2.L68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.2 A 0.16 D 0.16 L 0.09 M 0.07 R 0.04 Q 0.04 C 0.04 K 0.03 W 0.03 F 0.02 E 0.02 Y 0.02 HN Overlap>> 3.V77 3.V77 C Shift Assignments>> CA :: 53.876 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 9.078 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 :: 124.132 Ave N Shift Values>> N :: 121.86(3.9) 2.I69 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.32 N 0.25 D 0.12 L 0.06 M 0.04 C 0.03 R 0.02 Q 0.02 W 0.02 K 0.01 F 0.01 Y 0.01 C Shift Assignments>> CA :: 52.588 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 :: 8.437 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 :: 127.392 Ave N Shift Values>> N :: 121.86(3.9) 2.L71 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.L72 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.T73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.45 T 0.32 A 0.14 L 0.03 C 0.02 C Shift Assignments>> CG2 :: 21.007 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 :: 8.529 HA :: 4.539 HB :: 3.994 HG21 :: 0.819 HG22 :: 0.819 HG23 :: 0.819 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.707 Ave N Shift Values>> N :: 115.42(4.75) 2.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.17 L 0.12 M 0.09 N 0.09 A 0.07 Q 0.07 R 0.07 K 0.05 C 0.05 W 0.04 E 0.04 F 0.03 Y 0.03 S 0.01 C Shift Assignments>> CA :: 54.763 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 :: 8.319 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 :: 126.062 Ave N Shift Values>> N :: 121.86(3.9) 2.R75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.11 R 0.11 Q 0.1 E 0.09 W 0.08 M 0.08 C 0.07 F 0.07 Y 0.07 L 0.06 S 0.04 D 0.03 C Shift Assignments>> CA :: 56.893 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.714 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 :: 125.628 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 3.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 3.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.28 P 0.21 V 0.18 T 0.15 I 0.11 C 0.02 C Shift Assignments>> CB :: 63.909 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HB2 :: 3.821 HB3 :: 3.821 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) 3.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.34 K 0.09 I 0.07 Q 0.05 M 0.03 C Shift Assignments>> CA :: 57.495 CB :: 29.491 CG :: 36.373 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 :: 8.828 HA :: 4.330 HB2 :: 2.053 HB3 :: 2.196 HG2 :: 2.375 HG3 :: 2.375 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 :: 122.809 Ave N Shift Values>> N :: 120.67(3.48) 3.S4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.N61 1.N61 C Shift Assignments>> CA :: 58.638 CB :: 63.674 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.254 HA :: 4.486 HB2 :: 3.894 HB3 :: 3.894 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 :: 115.676 Ave N Shift Values>> N :: 116.28(3.52) 3.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.23 K 0.12 F 0.1 N 0.08 Y 0.07 C 0.05 R 0.01 HN Overlap>> 1.Q3 1.V27 1.Q3 1.V27 2.V27 2.V27 C Shift Assignments>> CA :: 54.620 CB :: 41.265 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 :: 8.218 HA :: 4.683 HB2 :: 2.720 HB3 :: 2.770 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.500 Ave N Shift Values>> N :: 120.65(3.86) 3.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 59.060 CB :: 63.986 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.285 HA :: 4.440 HB2 :: 3.954 HB3 :: 3.954 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 :: 116.277 Ave N Shift Values>> N :: 116.28(3.52) 3.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> CA :: 45.720 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.441 HA2 :: 3.993 HA3 :: 3.993 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.665 Ave N Shift Values>> N :: 109.67(3.87) 3.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.36 A 0.12 C Shift Assignments>> C :: 176.217 CA :: 55.674 CB :: 33.057 CG :: 32.164 CE :: 17.069 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 :: 8.088 HA :: 4.486 HB2 :: 2.020 HB3 :: 2.116 HG2 :: 2.550 HG3 :: 2.623 HE1 :: 2.122 HE2 :: 2.122 HE3 :: 2.122 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 :: 119.705 Ave N Shift Values>> N :: 120.09(3.57) 3.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.85 M 0.11 C 0.02 C Shift Assignments>> CA :: 52.871 CB :: 19.302 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.313 HA :: 4.378 HB1 :: 1.429 HB2 :: 1.429 HB3 :: 1.429 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.124 Ave N Shift Values>> N :: 123.23(3.54) 3.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 58.436 CB :: 63.833 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.315 HA :: 4.456 HB2 :: 3.914 HB3 :: 3.914 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 :: 115.103 Ave N Shift Values>> N :: 116.28(3.52) 3.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.26 C 0.25 E 0.09 M 0.04 R 0.03 C Shift Assignments>> CA :: 56.496 CB :: 29.245 CG :: 34.031 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 :: 8.419 HA :: 4.343 HB2 :: 2.045 HB3 :: 2.171 HG2 :: 2.421 HG3 :: 2.421 HE21 :: 7.209 HE22 :: 5.933 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 :: 122.320 NE2 :: 110.451 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 3.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 C 0.02 C Shift Assignments>> C :: 178.357 CA :: 53.502 CB :: 19.097 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.276 HA :: 4.279 HB1 :: 1.430 HB2 :: 1.430 HB3 :: 1.430 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.460 Ave N Shift Values>> N :: 123.23(3.54) 3.D13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.21 F 0.13 K 0.11 Y 0.1 N 0.07 C 0.06 R 0.01 C Shift Assignments>> C :: 177.266 CA :: 55.233 CB :: 41.005 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 :: 8.260 HA :: 4.565 HB2 :: 2.728 HB3 :: 2.768 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 :: 119.739 Ave N Shift Values>> N :: 120.65(3.86) 3.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.27 K 0.26 E 0.09 R 0.04 M 0.02 I 0.01 C Shift Assignments>> C :: 177.370 CA :: 57.865 CB :: 28.913 CG :: 34.031 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 :: 8.302 HA :: 4.228 HB2 :: 2.126 HB3 :: 2.126 HG2 :: 2.409 HG3 :: 2.409 HE21 :: 7.292 HE22 :: 6.663 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 :: 121.418 NE2 :: 110.135 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 3.K15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.39 R 0.19 HN Overlap>> 3.S79 3.S79 C Shift Assignments>> C :: 177.538 CA :: 57.951 CB :: 31.489 CG :: 24.767 CD :: 28.650 CE :: 42.058 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 :: 8.206 HA :: 4.183 HB2 :: 1.901 HB3 :: 1.901 HG2 :: 1.461 HG3 :: 1.461 HD2 :: 1.710 HD3 :: 1.710 HE2 :: 2.959 HE3 :: 2.959 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 :: 120.596 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 3.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 I 0.17 K 0.05 Q 0.02 M 0.01 HN Overlap>> 3.E17 3.E17 C Shift Assignments>> C :: 179.519 CA :: 59.319 CB :: 29.508 CG :: 36.517 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 :: 8.046 HA :: 4.011 HB2 :: 2.122 HB3 :: 2.122 HG2 :: 2.336 HG3 :: 2.336 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 :: 119.109 Ave N Shift Values>> N :: 120.67(3.48) 3.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.32 I 0.21 K 0.03 M 0.01 Q 0.01 HN Overlap>> 3.E16 3.E16 C Shift Assignments>> C :: 179.456 CA :: 59.642 CB :: 29.692 CG :: 36.811 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 :: 8.130 HA :: 4.079 HB2 :: 2.136 HB3 :: 2.136 HG2 :: 2.311 HG3 :: 2.408 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 :: 119.169 Ave N Shift Values>> N :: 120.67(3.48) 3.E18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.34 I 0.19 K 0.05 Q 0.01 M 0.01 HN Overlap>> 3.V71 3.A54 3.V71 3.A54 C Shift Assignments>> C :: 179.016 CA :: 59.336 CB :: 29.424 CG :: 36.581 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 :: 8.109 HA :: 3.952 HB2 :: 1.890 HB3 :: 1.890 HG2 :: 2.081 HG3 :: 2.081 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.482 Ave N Shift Values>> N :: 120.67(3.48) 3.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.47 A 0.01 C Shift Assignments>> C :: 178.607 CA :: 57.659 CB :: 40.745 CG :: 26.953 CD1 :: 25.472 CD2 :: 22.139 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 :: 7.992 HA :: 3.827 HB2 :: 0.651 HB3 :: 1.508 HG :: 1.555 HD11 :: 0.682 HD12 :: 0.682 HD13 :: 0.682 HD21 :: 0.540 HD22 :: 0.540 HD23 :: 0.540 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.834 Ave N Shift Values>> N :: 121.86(3.9) 3.L20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.44 R 0.02 C Shift Assignments>> C :: 180.357 CA :: 58.180 CB :: 41.811 CG :: 27.434 CD1 :: 24.462 CD2 :: 24.720 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 :: 7.852 HA :: 4.345 HB2 :: 1.794 HB3 :: 1.875 HG :: 1.783 HD11 :: 1.096 HD12 :: 1.096 HD13 :: 1.096 HD21 :: 1.046 HD22 :: 1.046 HD23 :: 1.046 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.561 Ave N Shift Values>> N :: 121.86(3.9) 3.L21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.45 R 0.01 C Shift Assignments>> CA :: 58.497 CB :: 41.285 CG :: 27.064 CD1 :: 25.567 CD2 :: 23.622 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 :: 7.838 HA :: 4.162 HB2 :: 1.657 HB3 :: 2.025 HG :: 1.790 HD11 :: 0.966 HD12 :: 0.966 HD13 :: 0.966 HD21 :: 0.948 HD22 :: 0.948 HD23 :: 0.948 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.606 Ave N Shift Values>> N :: 121.86(3.9) 3.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.38 C 0.37 F 0.23 C Shift Assignments>> CA :: 59.942 CB :: 37.406 CD1 :: 130.040 CE1 :: 131.374 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 :: 8.255 HA :: 4.443 HB2 :: 3.035 HB3 :: 3.415 HD1 :: 7.002 HD2 :: 7.002 HE1 :: 7.214 HE2 :: 7.214 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 117.508 Ave N Shift Values>> N :: 120.45(4.18) 3.W23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.49 C Shift Assignments>> C :: 177.411 CA :: 58.993 CB :: 30.918 CD1 :: 127.887 CE3 :: 121.690 CZ2 :: 115.191 CZ3 :: 120.581 CH2 :: 123.832 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 :: 8.936 HA :: 4.913 HB2 :: 3.764 HB3 :: 3.821 HD1 :: 7.269 HE1 :: 10.106 HE3 :: 7.424 HZ2 :: 7.491 HZ3 :: 6.737 HH2 :: 7.078 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 119.705 NE1 :: 129.221 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 3.T24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 176.503 CA :: 67.583 CB :: 68.121 CG2 :: 21.595 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 :: 8.271 HA :: 3.621 HB :: 4.384 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.748 Ave N Shift Values>> N :: 115.42(4.75) 3.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 C Shift Assignments>> C :: 177.153 CA :: 63.023 CB :: 39.005 CD1 :: 132.505 CE1 :: 118.303 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 :: 7.886 HA :: 3.990 HB2 :: 2.638 HB3 :: 3.195 HD1 :: 7.069 HD2 :: 7.069 HE1 :: 6.581 HE2 :: 6.581 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 :: 119.676 Ave N Shift Values>> N :: 120.52(4.2) 3.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> CA :: 65.837 CB :: 38.187 CG1 :: 30.070 CG2 :: 17.253 CD1 :: 14.983 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 :: 8.774 HA :: 3.462 HB :: 1.966 HG12 :: 0.741 HG13 :: 0.828 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 HD11 :: 0.962 HD12 :: 0.962 HD13 :: 0.962 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 :: 120.474 Ave N Shift Values>> N :: 121.46(4.28) 3.Q27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.39 E 0.2 Q 0.15 K 0.13 I 0.05 M 0.04 C Shift Assignments>> C :: 178.142 CA :: 59.929 CB :: 29.940 CG :: 34.774 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 :: 8.279 HA :: 3.374 HB2 :: 1.475 HB3 :: 1.641 HG2 :: 1.050(S) HG3 :: 1.191(S) HE21 :: 6.623 HE22 :: 5.829 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 :: 118.015 NE2 :: 109.398 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 3.A28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.52 M 0.32 C 0.06 I 0.02 L 0.02 V 0.02 C Shift Assignments>> C :: 181.037 CA :: 55.419 CB :: 19.417 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.524 HA :: 4.175 HB1 :: 1.612 HB2 :: 1.612 HB3 :: 1.612 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.345 Ave N Shift Values>> N :: 123.23(3.54) 3.M29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 M 0.27 I 0.01 C Shift Assignments>> C :: 178.990 CA :: 59.649 CB :: 32.669 CG :: 30.377 CE :: 16.592 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 :: 8.323 HA :: 2.953 HB2 :: 1.036 HB3 :: 1.357 HG2 :: 1.294 HG3 :: 1.471 HE1 :: 1.612 HE2 :: 1.612 HE3 :: 1.612 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.589 Ave N Shift Values>> N :: 120.09(3.57) 3.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.35 K 0.1 A 0.01 C Shift Assignments>> CA :: 56.454 CB :: 41.759 CG :: 27.024 CD1 :: 22.909 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 :: 8.091 HA :: 4.167 HB2 :: 1.655 HB3 :: 1.655 HG :: 1.580 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 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 :: 117.426 Ave N Shift Values>> N :: 121.86(3.9) 3.T31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 174.816 CA :: 66.761 CB :: 69.034 CG2 :: 21.199 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.789 HA :: 4.023 HB :: 4.514 HG21 :: 1.196 HG22 :: 1.196 HG23 :: 1.196 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 :: 116.912 Ave N Shift Values>> N :: 115.42(4.75) 3.N32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 K 0.2 D 0.17 R 0.11 F 0.09 Y 0.06 C 0.05 N 0.01 C Shift Assignments>> C :: 175.339 CA :: 55.554 CB :: 42.135 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.160 HA :: 4.890 HB2 :: 2.815 HB3 :: 3.218 HD21 :: 7.625 HD22 :: 6.932 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.782 ND2 :: 112.754 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 3.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.29 A 0.12 R 0.09 G 0.01 C Shift Assignments>> C :: 177.271 CA :: 54.609 CB :: 42.186 CG :: 27.045 CD1 :: 22.256 CD2 :: 25.797 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 :: 8.377 HA :: 4.531 HB2 :: 1.479 HB3 :: 1.518 HG :: 1.637 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.710 HD22 :: 0.710 HD23 :: 0.710 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.443 Ave N Shift Values>> N :: 121.86(3.9) 3.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 I 0.34 E 0.19 K 0.01 HN Overlap>> 2.L57 2.L57 C Shift Assignments>> C :: 176.915 CA :: 61.300 CB :: 29.777 CG :: 36.672 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 :: 8.142 HA :: 3.924 HB2 :: 2.185 HB3 :: 2.296 HG2 :: 2.192 HG3 :: 2.287 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.834 Ave N Shift Values>> N :: 120.67(3.48) 3.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.748 CA :: 56.983 CB :: 65.475 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.022 HA :: 5.264 HB2 :: 3.526 HB3 :: 3.745 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 :: 111.771 Ave N Shift Values>> N :: 116.28(3.52) 3.L36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 A 0.14 HN Overlap>> 2.K28 2.K28 C Shift Assignments>> C :: 176.093 CA :: 54.694 CB :: 50.031(S) CG :: 26.890 CD1 :: 26.704 CD2 :: 23.118 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 :: 8.401 HA :: 4.924 HB2 :: 1.531 HB3 :: 1.592 HG :: 1.371 HD11 :: 0.645 HD12 :: 0.645 HD13 :: 0.645 HD21 :: 0.735 HD22 :: 0.735 HD23 :: 0.735 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.896 Ave N Shift Values>> N :: 121.86(3.9) 3.S37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.K34 1.K34 C Shift Assignments>> C :: 174.679 CA :: 56.965 CB :: 65.238 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.680 HA :: 4.981 HB2 :: 4.206 HB3 :: 4.640 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 :: 116.218 Ave N Shift Values>> N :: 116.28(3.52) 3.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 L 0.44 R 0.08 C Shift Assignments>> C :: 177.755 CA :: 58.794 CB :: 41.935 CG :: 27.061 CD1 :: 26.203 CD2 :: 23.142 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 :: 9.493 HA :: 4.058 HB2 :: 1.887 HB3 :: 2.046 HG :: 1.591 HD11 :: 0.953 HD12 :: 0.953 HD13 :: 0.953 HD21 :: 0.853 HD22 :: 0.853 HD23 :: 0.853 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.040 Ave N Shift Values>> N :: 121.86(3.9) 3.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 K 0.17 L 0.14 C 0.09 D 0.09 I 0.04 R 0.01 C Shift Assignments>> C :: 178.685 CA :: 57.682 CB :: 41.135 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 :: 8.557 HA :: 4.310 HB2 :: 2.680 HB3 :: 2.680 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.080 Ave N Shift Values>> N :: 120.65(3.86) 3.R40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.29 R 0.17 C Shift Assignments>> C :: 179.244 CA :: 59.900 CB :: 32.463 CG :: 27.621 CD :: 41.927 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.532 HA :: 4.205 HB2 :: 1.744 HB3 :: 1.744 HG2 :: 1.903 HG3 :: 1.903 HD2 :: 2.972 HD3 :: 2.972 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 :: 118.657 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 3.I41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.836 CA :: 66.060 CB :: 38.894 CG1 :: 27.029 CG2 :: 17.685 CD1 :: 13.458 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 :: 8.029 HA :: 3.478 HB :: 1.944 HG12 :: 0.930 HG13 :: 1.941 HG21 :: 0.808 HG22 :: 0.808 HG23 :: 0.808 HD11 :: 0.680 HD12 :: 0.680 HD13 :: 0.680 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.505 Ave N Shift Values>> N :: 121.46(4.28) 3.Y42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> C :: 176.915 CA :: 61.918 CB :: 38.901 CD1 :: 132.956 CE1 :: 118.013 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 :: 8.939 HA :: 3.783 HB2 :: 2.891 HB3 :: 3.066 HD1 :: 6.894 HD2 :: 6.894 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 :: 119.139 Ave N Shift Values>> N :: 120.52(4.2) 3.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.24 F 0.2 C 0.18 N 0.12 D 0.08 I 0.04 E 0.04 L 0.04 M 0.01 C Shift Assignments>> C :: 178.357 CA :: 56.246 CB :: 38.431 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 :: 8.409 HA :: 4.101 HB2 :: 2.589 HB3 :: 2.931 HD21 :: 7.941 HD22 :: 6.942 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 :: 115.407 ND2 :: 113.420 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 3.M44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 M 0.22 C Shift Assignments>> C :: 178.499 CA :: 59.451 CB :: 33.577 CG :: 33.924 CE :: 18.105 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.729 HA :: 4.229 HB2 :: 1.974 HB3 :: 1.974 HG2 :: 2.602 HG3 :: 2.692 HE1 :: 1.988 HE2 :: 1.988 HE3 :: 1.988 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 :: 118.118 Ave N Shift Values>> N :: 120.09(3.57) 3.L45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 L 0.41 R 0.08 C Shift Assignments>> C :: 178.244 CA :: 57.924 CB :: 41.789 CG :: 26.749 CD1 :: 23.292 CD2 :: 26.497 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 :: 8.402 HA :: 3.810 HB2 :: 1.059 HB3 :: 1.678 HG :: 1.688 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 HD21 :: 0.580 HD22 :: 0.580 HD23 :: 0.580 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.311 Ave N Shift Values>> N :: 121.86(3.9) 3.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.42 K 0.07 G 0.04 L 0.01 HN Overlap>> 1.S66 1.S66 C Shift Assignments>> C :: 179.242 CA :: 58.435 CB :: 29.797 CG :: 26.920 CD :: 43.093 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.953 HA :: 3.810 HB2 :: 1.609 HB3 :: 1.609 HG2 :: 1.263 HG3 :: 1.328 HD2 :: 2.842 HD3 :: 2.842 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 :: 115.771 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 3.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 C 0.38 A 0.13 C Shift Assignments>> C :: 177.426 CA :: 56.032 CB :: 32.260 CG :: 31.839 CE :: 17.713 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.388 HA :: 4.407 HB2 :: 2.441 HB3 :: 2.519 HG2 :: 1.914 HG3 :: 1.914 HE1 :: 1.936 HE2 :: 1.936 HE3 :: 1.936 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 :: 114.462 Ave N Shift Values>> N :: 120.09(3.57) 3.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.25 F 0.23 HN Overlap>> 2.S66 2.S66 C Shift Assignments>> CA :: 58.622 CB :: 39.821 CD1 :: 131.677 CE1 :: 131.086 CZ :: 132.310 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 :: 7.813 HA :: 4.784 HB2 :: 2.984 HB3 :: 3.249 HD1 :: 7.334 HD2 :: 7.334 HE1 :: 7.333 HE2 :: 7.333 HZ :: 7.425 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 :: 115.971 Ave N Shift Values>> N :: 120.45(4.18) 3.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 C Shift Assignments>> C :: 176.386 CA :: 63.848 CB :: 32.083 CG1 :: 21.424 CG2 :: 21.532 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.662 HA :: 3.999 HB :: 2.124 HG11 :: 0.759 HG12 :: 0.759 HG13 :: 0.759 HG21 :: 0.657 HG22 :: 0.657 HG23 :: 0.657 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.864 Ave N Shift Values>> N :: 121.14(4.54) 3.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.68 C 0.3 C Shift Assignments>> C :: 176.667 CA :: 62.624 CB :: 32.083 CG1 :: 20.959 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.500 HA :: 4.168 HB :: 2.141 HG11 :: 0.899 HG12 :: 0.899 HG13 :: 0.899 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 :: 119.089 Ave N Shift Values>> N :: 121.14(4.54) 3.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 173.762 CA :: 61.398 CB :: 70.067 CG2 :: 21.772 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.797 HA :: 4.378 HB :: 4.233 HG21 :: 1.087 HG22 :: 1.087 HG23 :: 1.087 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 :: 114.291 Ave N Shift Values>> N :: 115.42(4.75) 3.G52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 171.631 CA :: 45.366 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.971 HA2 :: 3.867 HA3 :: 4.069 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.415 Ave N Shift Values>> N :: 109.67(3.87) 3.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> CA :: 64.238 CB :: 31.870 CG :: 27.235 CD :: 50.118 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 :: 4.330 HB2 :: 1.951 HB3 :: 2.260 HG2 :: 1.946 HG3 :: 1.946 HD2 :: 3.481 HD3 :: 3.662 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) 3.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.15 C 0.01 HN Overlap>> 3.E18 3.V71 3.E18 3.V71 C Shift Assignments>> C :: 178.695 CA :: 52.832 CB :: 18.779 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.055 HA :: 4.261 HB1 :: 1.337 HB2 :: 1.337 HB3 :: 1.337 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.383 Ave N Shift Values>> N :: 123.23(3.54) 3.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.26 R 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 177.703 CA :: 55.227 CB :: 42.637 CG :: 27.018 CD1 :: 25.370 CD2 :: 23.758 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 :: 7.817 HA :: 4.256 HB2 :: 1.542 HB3 :: 1.542 HG :: 1.564 HD11 :: 0.736 HD12 :: 0.736 HD13 :: 0.736 HD21 :: 0.699 HD22 :: 0.699 HD23 :: 0.699 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.446 Ave N Shift Values>> N :: 121.86(3.9) 3.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.05 C 0.02 L 0.01 C Shift Assignments>> C :: 177.559 CA :: 52.411 CB :: 19.851 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.986 HA :: 4.269 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.067 Ave N Shift Values>> N :: 123.23(3.54) 3.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.33 M 0.12 Q 0.05 K 0.04 I 0.01 C Shift Assignments>> C :: 176.271 CA :: 56.187 CB :: 30.484 CG :: 36.307 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 :: 8.183 HA :: 4.320 HB2 :: 1.918 HB3 :: 1.918 HG2 :: 2.292 HG3 :: 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 :: 118.715 Ave N Shift Values>> N :: 120.67(3.48) 3.I58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.057 CA :: 60.376 CB :: 39.854 CG1 :: 27.650 CG2 :: 16.931 CD1 :: 13.669 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 :: 7.912 HA :: 4.279 HB :: 1.644 HG12 :: 1.008 HG13 :: 1.359 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 HD11 :: 0.410 HD12 :: 0.410 HD13 :: 0.410 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 122.121 Ave N Shift Values>> N :: 121.46(4.28) 3.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 D 0.23 R 0.18 K 0.07 C 0.04 F 0.04 G 0.03 N 0.02 Y 0.02 C Shift Assignments>> C :: 175.633 CA :: 53.287 CB :: 42.855 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 :: 8.694 HA :: 4.849 HB2 :: 2.765 HB3 :: 2.801 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 :: 128.072 Ave N Shift Values>> N :: 120.65(3.86) 3.L60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.42 R 0.04 G 0.01 C Shift Assignments>> C :: 178.429 CA :: 58.918 CB :: 42.318 CG :: 26.926 CD1 :: 25.281 CD2 :: 23.711 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 :: 8.435 HA :: 3.547 HB2 :: 0.960 HB3 :: 1.463 HG :: 1.199 HD11 :: 0.576 HD12 :: 0.576 HD13 :: 0.576 HD21 :: 0.448 HD22 :: 0.448 HD23 :: 0.448 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 :: 125.537 Ave N Shift Values>> N :: 121.86(3.9) 3.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 Q 0.19 K 0.16 E 0.12 I 0.07 R 0.04 C Shift Assignments>> C :: 179.374 CA :: 59.083 CB :: 27.954 CG :: 34.647 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 :: 8.111 HA :: 4.026 HB2 :: 2.101 HB3 :: 2.180 HG2 :: 2.398 HG3 :: 2.398 HE21 :: 7.607 HE22 :: 6.804 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 116.863 NE2 :: 112.121 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 3.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.35 I 0.16 K 0.04 M 0.02 Q 0.01 HN Overlap>> 1.E17 1.V27 1.E17 1.V27 C Shift Assignments>> C :: 179.821 CA :: 59.376 CB :: 29.739 CG :: 36.575 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 :: 8.311 HA :: 4.093 HB2 :: 2.084 HB3 :: 2.213 HG2 :: 2.220 HG3 :: 2.380 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 :: 122.694 Ave N Shift Values>> N :: 120.67(3.48) 3.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 L 0.33 R 0.05 C Shift Assignments>> C :: 177.934 CA :: 58.061 CB :: 41.363 CG :: 27.056 CD1 :: 22.635 CD2 :: 26.491 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 :: 8.324 HA :: 4.083 HB2 :: 1.422 HB3 :: 2.063 HG :: 1.615 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 HD21 :: 0.924 HD22 :: 0.924 HD23 :: 0.924 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.889 Ave N Shift Values>> N :: 121.86(3.9) 3.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.21 Q 0.19 E 0.07 I 0.06 R 0.03 C Shift Assignments>> C :: 178.331 CA :: 60.082 CB :: 28.619 CG :: 34.093 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 :: 8.704 HA :: 3.807 HB2 :: 2.109 HB3 :: 2.208 HG2 :: 2.252 HG3 :: 2.318 HE21 :: 7.532 HE22 :: 6.772 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.053 NE2 :: 111.900 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 3.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 176.262 CA :: 47.156 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.139 HA2 :: 3.818 HA3 :: 3.992 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.603 Ave N Shift Values>> N :: 109.67(3.87) 3.Y66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.68 C 0.31 C Shift Assignments>> C :: 178.376 CA :: 61.771 CB :: 39.184 CD1 :: 132.580 CE1 :: 118.304 CE2 :: 118.304 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 :: 8.077 HA :: 4.206 HB2 :: 3.088 HB3 :: 3.188 HD1 :: 6.896 HD2 :: 6.896 HE1 :: 6.609 HE2 :: 6.609 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 :: 124.827 Ave N Shift Values>> N :: 120.52(4.2) 3.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 L 0.22 A 0.03 C Shift Assignments>> C :: 179.213 CA :: 57.702 CB :: 39.486 CG :: 26.205 CD1 :: 21.748 CD2 :: 25.543 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 :: 8.616 HA :: 3.609 HB2 :: 0.985 HB3 :: 1.774 HG :: 0.957 HD11 :: 0.670 HD12 :: 0.670 HD13 :: 0.670 HD21 :: 0.276 HD22 :: 0.276 HD23 :: 0.276 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 :: 117.998 Ave N Shift Values>> N :: 121.86(3.9) 3.Q68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.22 K 0.18 E 0.08 R 0.06 I 0.05 C Shift Assignments>> C :: 178.952 CA :: 58.925 CB :: 27.913 CG :: 34.297 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 :: 8.356 HA :: 3.850 HB2 :: 2.107 HB3 :: 2.107 HG2 :: 2.382 HG3 :: 2.382 HE21 :: 7.470 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 :: 117.250 NE2 :: 112.289 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 3.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.37 R 0.14 G 0.01 C Shift Assignments>> C :: 178.119 CA :: 59.917 CB :: 31.400 CG :: 25.336 CD :: 29.355 CE :: 42.378 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.552 HA :: 3.870 HB2 :: 1.776 HB3 :: 1.850 HG2 :: 1.223 HG3 :: 1.449 HD2 :: 1.595 HD3 :: 1.595 HE2 :: 2.886 HE3 :: 2.886 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 :: 122.202 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 3.K70 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 R 0.36 K 0.1 C Shift Assignments>> C :: 179.196 CA :: 57.349 CB :: 31.412 CG :: 22.578 CD :: 27.266 CE :: 41.859 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.278 HA :: 3.722 HB2 :: 0.946(S) HB3 :: 1.890 HG2 :: -0.122(S) HG3 :: 0.578 HD2 :: 0.290(S) HD3 :: 0.862(S) HE2 :: 1.332(S) HE3 :: 1.646(S) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.382 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE2 > HB3 : 0.9957) (HE3 > HB3 : 0.9974) 3.V71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 HN Overlap>> 3.E18 3.E18 3.A54 3.A54 C Shift Assignments>> C :: 180.911 CA :: 64.840 CB :: 31.769 CG1 :: 23.400 CG2 :: 21.633 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 :: 8.088 HA :: 4.319 HB :: 2.334 HG11 :: 1.067 HG12 :: 1.067 HG13 :: 1.067 HG21 :: 1.113 HG22 :: 1.113 HG23 :: 1.113 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 :: 121.382 Ave N Shift Values>> N :: 121.14(4.54) 3.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.37 G 0.13 K 0.01 HN Overlap>> 1.D22 1.D22 C Shift Assignments>> CA :: 59.819 CB :: 29.709 CG :: 27.322 CD :: 43.742 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 :: 8.120 HA :: 4.070 HB2 :: 2.027 HB3 :: 2.027 HG2 :: 1.640 HG3 :: 1.904 HD2 :: 3.239 HD3 :: 3.239 HE :: 9.458 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.023 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 3.D73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 N 0.13 F 0.12 Y 0.09 C 0.06 K 0.05 C Shift Assignments>> C :: 175.068 CA :: 54.659 CB :: 40.654 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.963 HA :: 4.718 HB2 :: 2.485 HB3 :: 2.880 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 :: 117.628 Ave N Shift Values>> N :: 120.65(3.86) 3.Q74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 K 0.28 Q 0.13 R 0.06 E 0.03 I 0.02 C Shift Assignments>> C :: 175.120 CA :: 57.421 CB :: 25.936 CG :: 34.612 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 :: 8.203 HA :: 4.158 HB2 :: 2.398 HB3 :: 2.440 HG2 :: 2.358 HG3 :: 2.358 HE21 :: 7.531 HE22 :: 6.835 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 :: 113.191 NE2 :: 112.214 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 3.Q75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 M 0.25 C 0.24 E 0.12 K 0.09 C Shift Assignments>> C :: 174.234 CA :: 55.608 CB :: 30.780 CG :: 34.265 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 :: 8.375 HA :: 4.474 HB2 :: 2.551 HB3 :: 2.551 HG2 :: 2.341 HG3 :: 2.341 HE21 :: 7.531 HE22 :: 6.838 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 :: 114.879 NE2 :: 112.198 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 3.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 G 0.14 L 0.02 A 0.01 C Shift Assignments>> C :: 173.559 CA :: 53.580 CB :: 47.994 CG :: 27.406 CD1 :: 24.884 CD2 :: 27.758 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 :: 7.423 HA :: 4.725 HB2 :: 1.469 HB3 :: 1.469 HG :: 1.906 HD11 :: 1.127 HD12 :: 1.127 HD13 :: 1.127 HD21 :: 1.048 HD22 :: 1.048 HD23 :: 1.048 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 :: 117.861 Ave N Shift Values>> N :: 121.86(3.9) 3.V77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 V 0.23 HN Overlap>> 2.L68 2.L68 C Shift Assignments>> C :: 173.855 CA :: 61.750 CB :: 34.285 CG1 :: 24.708 CG2 :: 21.164 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 :: 9.168 HA :: 4.398 HB :: 1.903 HG11 :: 1.126 HG12 :: 1.126 HG13 :: 1.126 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 :: 124.145 Ave N Shift Values>> N :: 121.14(4.54) 3.Y78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.25 C Shift Assignments>> C :: 174.515 CA :: 55.922 CB :: 41.482 CD1 :: 133.293 CE1 :: 117.618 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 :: 8.527 HA :: 5.203 HB2 :: 2.607 HB3 :: 2.740 HD1 :: 6.066 HD2 :: 6.066 HE1 :: 6.368 HE2 :: 6.368 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 :: 126.619 Ave N Shift Values>> N :: 120.52(4.2) 3.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 3.K15 3.K15 C Shift Assignments>> C :: 173.761 CA :: 57.168 CB :: 64.037 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.155 HA :: 4.194 HB2 :: 3.505 HB3 :: 3.590 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.637 Ave N Shift Values>> N :: 116.28(3.52) 3.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.62 M 0.36 C 0.01 C Shift Assignments>> CA :: 52.967 CB :: 17.258 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.129 HA :: 3.877 HB1 :: 1.288 HB2 :: 1.288 HB3 :: 1.288 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 3.G81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 174.207 CA :: 45.455 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.127 HA2 :: 3.577 HA3 :: 4.151 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 100.936 Ave N Shift Values>> N :: 109.67(3.87) 3.V82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 V 0.13 C Shift Assignments>> C :: 172.512 CA :: 59.578 CB :: 35.841 CG1 :: 22.216 CG2 :: 18.628 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.394 HA :: 4.619 HB :: 1.831 HG11 :: 0.790 HG12 :: 0.790 HG13 :: 0.790 HG21 :: 0.752 HG22 :: 0.752 HG23 :: 0.752 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 :: 114.659 Ave N Shift Values>> N :: 121.14(4.54) 3.Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.26 HN Overlap>> 3.N88 3.N88 C Shift Assignments>> C :: 175.293 CA :: 57.394 CB :: 41.254 CD1 :: 133.125 CE1 :: 118.227 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 :: 8.590 HA :: 5.604 HB2 :: 2.839 HB3 :: 2.954 HD1 :: 7.117 HD2 :: 7.117 HE1 :: 6.480 HE2 :: 6.480 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 :: 120.079 Ave N Shift Values>> N :: 120.52(4.2) 3.R84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.31 R 0.12 K 0.02 C Shift Assignments>> C :: 174.931 CA :: 54.694 CB :: 34.969 CG :: 26.638 CD :: 43.959 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 :: 8.869 HA :: 4.935 HB2 :: 1.673 HB3 :: 1.925 HG2 :: 1.378 HG3 :: 1.667 HD2 :: 3.097 HD3 :: 3.097 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 :: 115.045 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 3.L85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.26 A 0.12 C Shift Assignments>> C :: 175.540 CA :: 53.372 CB :: 40.602 CG :: 26.913 CD1 :: 22.925 CD2 :: 25.828 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 :: 9.049 HA :: 4.820 HB2 :: 1.569 HB3 :: 1.661 HG :: 1.701 HD11 :: 1.017 HD12 :: 1.017 HD13 :: 1.017 HD21 :: 0.934 HD22 :: 0.934 HD23 :: 0.934 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.400 Ave N Shift Values>> N :: 121.86(3.9) 3.P86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> CA :: 63.117 CB :: 32.071 CG :: 27.598 CD :: 50.530 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 :: 4.347 HB2 :: 1.968 HB3 :: 2.210 HG2 :: 1.748 HG3 :: 2.097 HD2 :: 3.682 HD3 :: 3.682 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) 3.K87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.12 G 0.01 C Shift Assignments>> C :: 176.212 CA :: 56.272 CB :: 33.571 CG :: 24.793 CD :: 28.830 CE :: 42.297 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.249 HA :: 4.354 HB2 :: 1.762 HB3 :: 1.847 HG2 :: 1.467 HG3 :: 1.467 HD2 :: 1.723 HD3 :: 1.723 HE2 :: 3.028 HE3 :: 3.028 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 :: 121.069 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 3.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.2 C 0.08 F 0.08 Y 0.07 L 0.05 HN Overlap>> 3.Y83 3.Y83 C Shift Assignments>> C :: 175.025 CA :: 53.360 CB :: 39.004 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 :: 8.536 HA :: 4.787 HB2 :: 2.803 HB3 :: 2.899 HD21 :: 7.466 HD22 :: 6.903 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 :: 120.175 ND2 :: 112.377 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 3.C89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.16 W 0.16 Q 0.14 E 0.13 R 0.08 I 0.08 L 0.02 M 0.01 C Shift Assignments>> CA :: 58.386 CB :: 28.650 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.329 HA :: 4.631 HB2 :: 3.004 HB3 :: 3.004 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.523 Ave N Shift Values>> N :: 120.17(4.64) 3.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.A29 1.A29 C Shift Assignments>> C :: 178.537 CA :: 60.230 CB :: 64.977 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.012 HA :: 4.299 HB2 :: 3.881 HB3 :: 3.881 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 :: 123.199 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 233 #Clerical: 0 #Suspicious: 7 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 206 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 34 Shift Relative Order (SRO) Results: #Consistent: 239 #Suspicious: 1 C Shift Results: #Consistent: 757 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1306 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 219 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.S21 N = 104.194(S), Expected = 116.28, Std = 3.5200, ChiSquare = 5.9579e-04 1.Q42 NE2 = 104.059(S), Expected = 111.87, Std = 1.7200, ChiSquare = 5.5914e-06 1.I62 HG12 = -0.221(S), Expected = 1.28, Std = 0.4000, ChiSquare = 1.7508e-04 1.A67 HA = 5.722(S), Expected = 4.26, Std = 0.4400, ChiSquare = 8.9142e-04 3.Q27 HG2 = 1.050(S), Expected = 2.32, Std = 0.2700, ChiSquare = 2.5548e-06 3.Q27 HG3 = 1.191(S), Expected = 2.29, Std = 0.2900, ChiSquare = 1.5086e-04 3.L36 CB = 50.031(S), Expected = 42.31, Std = 1.8800, ChiSquare = 4.0098e-05 3.K70 HB2 = 0.946(S), Expected = 1.78, Std = 0.2500, ChiSquare = 8.4993e-04 3.K70 HG2 = -0.122(S), Expected = 1.37, Std = 0.2600, ChiSquare = 9.5540e-09 3.K70 HD2 = 0.290(S), Expected = 1.61, Std = 0.2200, ChiSquare = 1.9732e-09 3.K70 HD3 = 0.862(S), Expected = 1.60, Std = 0.2200, ChiSquare = 7.9495e-04 3.K70 HE2 = 1.332(S), Expected = 2.92, Std = 0.1900, ChiSquare = 6.3847e-17 3.K70 HE3 = 1.646(S), Expected = 2.91, Std = 0.2000, ChiSquare = 2.6156e-10 3.K70 SRO Rule Break>> HE2 > HB3 : 0.995656220912194 3.K70 SRO Rule Break>> HE3 > HB3 : 0.997380484610347