Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.A1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.92 M 0.04 C 0.02 L 0.01 C Shift Assignments>> C :: 172.585 CA :: 51.852 CB :: 19.843 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.718 HA :: 4.127 HB1 :: 1.455 HB2 :: 1.455 HB3 :: 1.455 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.638 Ave N Shift Values>> N :: 123.23(3.54) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.9 T 0.09 C Shift Assignments>> C :: 173.941 CA :: 56.265 CB :: 66.471 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.213 HA :: 5.665 HB2 :: 3.643 HB3 :: 3.581 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 :: 113.446 Ave N Shift Values>> N :: 116.28(3.52) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 Q 0.28 E 0.04 C Shift Assignments>> C :: 173.201 CA :: 55.242 CB :: 33.070 CG :: 33.836 CD :: 180.030 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 :: 8.990 HA :: 4.588 HB2 :: 2.013 HB3 :: 1.756 HG2 :: 2.260 HG3 :: 2.140 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 :: 122.905 Ave N Shift Values>> N :: 120.67(3.48) 1.K4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 C 0.4 R 0.04 C Shift Assignments>> C :: 175.313 CA :: 55.772 CB :: 33.581 CG :: 24.453 CD :: 29.205 CE :: 41.627 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 :: 8.797 HA :: 4.729 HB2 :: 1.671 HB3 :: 1.671 HG2 :: 1.347 HG3 :: 1.347 HD2 :: 1.623 HD3 :: 1.603 HE2 :: 2.994 HE3 :: 2.994 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.924 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.43 C Shift Assignments>> C :: 175.934 CA :: 61.086 CB :: 33.940 CG1 :: 21.965 CG2 :: 20.262 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 :: 9.240 HA :: 4.282 HB :: 2.116 HG11 :: 0.935 HG12 :: 0.935 HG13 :: 0.935 HG21 :: 0.790 HG22 :: 0.790 HG23 :: 0.790 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 :: 128.228 Ave N Shift Values>> N :: 121.14(4.54) 1.G6 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>> C :: 172.902 CA :: 45.849 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.970 HA2 :: 4.214 HA3 :: 3.684 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.136 Ave N Shift Values>> N :: 109.67(3.87) 1.M7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.26 C 0.21 C Shift Assignments>> C :: 175.903 CA :: 51.886 CB :: 32.963 CG :: 32.365 CE :: 15.928 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 :: 8.193 HA :: 5.106 HB2 :: 1.507 HB3 :: 1.339 HG2 :: 2.453 HG3 :: 2.201 HE1 :: 1.782 HE2 :: 1.782 HE3 :: 1.782 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.772 Ave N Shift Values>> N :: 120.09(3.57) 1.N8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.67 N 0.2 C 0.08 G 0.03 C Shift Assignments>> C :: 175.211 CA :: 52.350 CB :: 42.292 CG :: 177.829 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 :: 8.489 HA :: 5.475 HB2 :: 2.538 HB3 :: 2.196 HD21 :: 7.721 HD22 :: 7.077 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 119.939 ND2 :: 114.283 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.28 R 0.02 A 0.02 G 0.01 C Shift Assignments>> C :: 176.840 CA :: 55.654 CB :: 42.130 CG :: 26.414 CD1 :: 25.169 CD2 :: 23.206 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.397 HA :: 4.304 HB2 :: 1.570 HB3 :: 1.345 HG :: 1.648 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 HD21 :: 0.565 HD22 :: 0.565 HD23 :: 0.565 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 :: 121.222 Ave N Shift Values>> N :: 121.86(3.9) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 I 0.11 C Shift Assignments>> C :: 175.155 CA :: 58.981 CB :: 34.867 CG1 :: 24.913 CG2 :: 17.210 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 :: 7.271 HA :: 5.025 HB :: 2.218 HG11 :: 1.009 HG12 :: 1.009 HG13 :: 1.009 HG21 :: 0.263 HG22 :: 0.263 HG23 :: 0.263 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 :: 111.194 Ave N Shift Values>> N :: 121.14(4.54) 1.T11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 T 0.48 C Shift Assignments>> C :: 174.730 CA :: 59.626 CB :: 73.067 CG2 :: 21.044 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 :: 8.551 HA :: 4.600 HB :: 4.572 HG21 :: 1.028 HG22 :: 1.028 HG23 :: 1.028 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.010 Ave N Shift Values>> N :: 115.42(4.75) 1.A12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.41 C 0.02 I 0.01 C Shift Assignments>> C :: 175.587 CA :: 54.332 CB :: 18.194 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.995 HA :: 3.681 HB1 :: 1.330 HB2 :: 1.330 HB3 :: 1.330 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.243 Ave N Shift Values>> N :: 123.23(3.54) 1.Q13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 C 0.34 E 0.27 C Shift Assignments>> C :: 176.471 CA :: 56.163 CB :: 29.592 CG :: 34.671 CD :: 180.723 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 :: 7.552 HA :: 4.165 HB2 :: 2.061 HB3 :: 1.749 HG2 :: 2.331 HG3 :: 2.221 HE21 :: 7.541 HE22 :: 6.817 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 :: 111.225 NE2 :: 113.249 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G14 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>> C :: 171.063 CA :: 45.686 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.438 HA2 :: 4.421 HA3 :: 3.523 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.069 Ave N Shift Values>> N :: 109.67(3.87) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.7 C 0.29 C Shift Assignments>> C :: 176.070 CA :: 62.715 CB :: 32.470 CG1 :: 21.230 CG2 :: 21.230 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 :: 8.612 HA :: 4.140 HB :: 1.870 HG11 :: 0.894 HG12 :: 0.894 HG13 :: 0.894 HG21 :: 0.709 HG22 :: 0.709 HG23 :: 0.709 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 :: 125.670 Ave N Shift Values>> N :: 121.14(4.54) 1.G16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.34 L 0.3 G 0.14 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.342 CA :: 43.722 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.095 HA2 :: 4.458 HA3 :: 3.439 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 118.426 Ave N Shift Values>> N :: 109.67(3.87) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.49 C 0.42 E 0.07 C Shift Assignments>> C :: 175.529 CA :: 56.095 CB :: 29.915 CG :: 33.298 CD :: 180.623 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 :: 8.664 HA :: 4.105 HB2 :: 2.019 HB3 :: 2.019 HG2 :: 2.389 HG3 :: 2.314 HE21 :: 7.436 HE22 :: 6.921 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 :: 123.377 NE2 :: 112.981 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.293 CA :: 58.268 CB :: 63.430 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.612 HA :: 4.811 HB2 :: 3.991 HB3 :: 3.736 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 :: 116.326 Ave N Shift Values>> N :: 116.28(3.52) 1.I19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 174.078 CA :: 60.984 CB :: 37.580 CG1 :: 26.721 CG2 :: 18.558 CD1 :: 15.293 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 :: 8.499 HA :: 4.621 HB :: 2.856(S) HG12 :: 1.012 HG13 :: 0.514 HG21 :: 0.857 HG22 :: 0.857 HG23 :: 0.857 HD11 :: 0.674 HD12 :: 0.674 HD13 :: 0.674 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 :: 119.730 Ave N Shift Values>> N :: 121.46(4.28) 1.G20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.33 L 0.3 G 0.16 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 173.242 CA :: 43.762 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.800 HA2 :: 5.489(S) HA3 :: 3.736 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.038 Ave N Shift Values>> N :: 109.67(3.87) 1.T21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 T 0.16 A 0.01 C Shift Assignments>> C :: 173.641 CA :: 59.049 CB :: 73.890 CG2 :: 22.036 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 :: 7.719 HA :: 5.393 HB :: 3.750 HG21 :: 1.031 HG22 :: 1.031 HG23 :: 1.031 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.231 Ave N Shift Values>> N :: 115.42(4.75) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 174.469 CA :: 61.406 CB :: 35.124 CG1 :: 22.005 CG2 :: 22.005 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 :: 9.022 HA :: 4.488 HB :: 1.823 HG11 :: 0.935 HG12 :: 0.935 HG13 :: 0.935 HG21 :: 0.935 HG22 :: 0.935 HG23 :: 0.935 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 :: 121.272 Ave N Shift Values>> N :: 121.14(4.54) 1.V23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 175.005 CA :: 61.598 CB :: 32.997 CG1 :: 21.993 CG2 :: 21.151 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 :: 8.807 HA :: 4.580 HB :: 1.938 HG11 :: 0.984 HG12 :: 0.984 HG13 :: 0.984 HG21 :: 0.793 HG22 :: 0.793 HG23 :: 0.793 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 129.406 Ave N Shift Values>> N :: 121.14(4.54) 1.I24 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 :: 174.579 CA :: 59.558 CB :: 38.711 CG1 :: 26.082 CG2 :: 18.186 CD1 :: 15.222 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 :: 9.272 HA :: 4.801 HB :: 1.433 HG12 :: 1.508 HG13 :: 0.490 HG21 :: 0.007 HG22 :: 0.007 HG23 :: 0.007 HD11 :: 0.665 HD12 :: 0.665 HD13 :: 0.665 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 :: 130.483 Ave N Shift Values>> N :: 121.46(4.28) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.93 D 0.03 C 0.02 C Shift Assignments>> C :: 175.761 CA :: 52.905 CB :: 45.365 CG :: 179.408 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 :: 9.050 HA :: 5.234 HB2 :: 2.356 HB3 :: 2.219 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 125.184 Ave N Shift Values>> N :: 120.65(3.86) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 C 0.46 C Shift Assignments>> C :: 176.459 CA :: 56.488 CB :: 29.560 CG :: 36.642 CD :: 183.950 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.869 HA :: 4.229 HB2 :: 2.026 HB3 :: 1.969 HG2 :: 2.265 HG3 :: 2.049 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.792 Ave N Shift Values>> N :: 120.67(3.48) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 T 0.45 C Shift Assignments>> C :: 175.687 CA :: 59.897 CB :: 73.261 CG2 :: 21.479 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 :: 7.634 HA :: 4.989 HB :: 4.416 HG21 :: 1.125 HG22 :: 1.125 HG23 :: 1.125 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 :: 116.104 Ave N Shift Values>> N :: 115.42(4.75) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 E 0.48 C Shift Assignments>> C :: 176.925 CA :: 58.675 CB :: 28.905 CG :: 35.988 CD :: 184.113 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 :: 9.301 HA :: 4.117 HB2 :: 2.054 HB3 :: 2.002 HG2 :: 2.317 HG3 :: 2.297 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 :: 122.400 Ave N Shift Values>> N :: 120.67(3.48) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.26 R 0.16 C 0.04 F 0.03 D 0.03 Y 0.01 C Shift Assignments>> C :: 172.820 CA :: 44.350 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.025 HA2 :: 4.368 HA3 :: 3.477 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.896 Ave N Shift Values>> N :: 109.67(3.87) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 L 0.29 G 0.07 D 0.06 F 0.05 C 0.03 K 0.03 Y 0.03 C Shift Assignments>> C :: 175.075 CA :: 43.413 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.144 HA2 :: 4.694 HA3 :: 4.027 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.924 Ave N Shift Values>> N :: 109.67(3.87) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 C 0.33 L 0.28 A 0.02 G 0.01 C Shift Assignments>> C :: 174.221 CA :: 55.179 CB :: 42.407 CG :: 28.865 CD1 :: 26.086 CD2 :: 23.290 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 :: 7.684 HA :: 4.460 HB2 :: 1.665 HB3 :: 0.647 HG :: 1.559 HD11 :: 0.604 HD12 :: 0.604 HD13 :: 0.604 HD21 :: 0.438 HD22 :: 0.438 HD23 :: 0.438 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 :: 121.794 Ave N Shift Values>> N :: 121.86(3.9) 1.K32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.33 R 0.11 G 0.01 C Shift Assignments>> C :: 174.936 CA :: 54.367 CB :: 36.440 CG :: 24.663 CD :: 29.773 CE :: 41.899 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 :: 8.831 HA :: 5.091 HB2 :: 1.707 HB3 :: 1.512 HG2 :: 1.302 HG3 :: 1.302 HD2 :: 1.567 HD3 :: 1.567 HE2 :: 2.848 HE3 :: 2.761 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.700 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 C Shift Assignments>> C :: 175.184 CA :: 55.824 CB :: 39.331 CG :: 139.112 CD1 :: 131.812 CD2 :: 131.812 CE1 :: 129.385 CE2 :: 129.385 CZ :: 126.353 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 :: 9.855 HA :: 4.878 HB2 :: 3.417 HB3 :: 2.448 HD1 :: 7.025 HD2 :: 7.025 HE1 :: 6.622 HE2 :: 6.622 HZ :: 6.675 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 :: 128.087 Ave N Shift Values>> N :: 120.45(4.18) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.14 C Shift Assignments>> C :: 173.237 CA :: 60.135 CB :: 69.105 CG2 :: 21.037 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 :: 9.756 HA :: 4.626 HB :: 4.075 HG21 :: 0.983 HG22 :: 0.983 HG23 :: 0.983 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 121.983 Ave N Shift Values>> N :: 115.42(4.75) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 C 0.47 C Shift Assignments>> C :: 174.105 CA :: 62.342 CB :: 32.249 CG :: 25.888 CD :: 51.437 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 :: 4.597 HB2 :: 1.787 HB3 :: 1.587 HG2 :: 1.755 HG3 :: 1.702 HD2 :: 3.907 HD3 :: 3.401 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 :: 140.373 Ave N Shift Values>> N :: 134.16(6.62) 1.H36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.62 C 0.37 C Shift Assignments>> C :: 175.048 CA :: 55.320 CB :: 28.211 CG :: 133.143 CD2 :: 119.101 CE1 :: 136.681 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.842 HA :: 4.789 HB2 :: 3.218 HB3 :: 3.119 HD2 :: 6.875 HE1 :: 8.241 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.733 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 C 0.26 L 0.17 A 0.05 C Shift Assignments>> C :: 175.908 CA :: 52.837 CB :: 46.699 CG :: 26.102 CD1 :: 26.701 CD2 :: 23.832 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 :: 7.711 HA :: 5.540 HB2 :: 1.650 HB3 :: 1.329 HG :: 1.574 HD11 :: 0.514 HD12 :: 0.514 HD13 :: 0.514 HD21 :: 0.520 HD22 :: 0.520 HD23 :: 0.520 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 :: 121.978 Ave N Shift Values>> N :: 121.86(3.9) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.38 A 0.07 R 0.01 G 0.01 C Shift Assignments>> C :: 172.748 CA :: 54.228 CB :: 35.199 CG :: 23.184 CD :: 29.383 CE :: 42.043 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 :: 8.251 HA :: 4.943 HB2 :: 1.717 HB3 :: 1.717 HG2 :: 1.367 HG3 :: 1.202 HD2 :: 1.572 HD3 :: 1.572 HE2 :: 2.851 HE3 :: 2.851 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 :: 121.275 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A39 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 :: 176.914 CA :: 52.565 CB :: 16.642 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.056 HA :: 3.935 HB1 :: 1.417 HB2 :: 1.417 HB3 :: 1.417 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 114.869 Ave N Shift Values>> N :: 123.23(3.54) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.2 C 0.15 R 0.05 C Shift Assignments>> C :: 174.507 CA :: 52.086 CB :: 44.416 CG :: 26.189 CD1 :: 27.624 CD2 :: 24.730 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 :: 8.422 HA :: 4.661 HB2 :: 1.310 HB3 :: 0.616 HG :: 1.557 HD11 :: 0.437 HD12 :: 0.437 HD13 :: 0.437 HD21 :: 0.516 HD22 :: 0.516 HD23 :: 0.516 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 :: 119.630 Ave N Shift Values>> N :: 121.86(3.9) 1.P41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 P 0.23 C Shift Assignments>> C :: 175.595 CA :: 60.138 CB :: 30.918 CG :: 27.389 CD :: 49.769 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 :: 4.629 HB2 :: 2.322 HB3 :: 1.595 HG2 :: 1.671 HG3 :: 1.502 HD2 :: 3.318 HD3 :: 2.359 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 :: 136.698 Ave N Shift Values>> N :: 134.16(6.62) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.133 CA :: 63.653 CB :: 33.109 CG :: 27.786 CD :: 50.934 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 :: 3.885 HB2 :: 2.170 HB3 :: 1.737 HG2 :: 2.067 HG3 :: 1.938 HD2 :: 3.975 HD3 :: 3.528 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 :: 140.237 Ave N Shift Values>> N :: 134.16(6.62) 1.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.28 D 0.06 G 0.05 F 0.05 K 0.04 C 0.03 Y 0.03 I 0.01 HN Overlap>> 1.V109 1.V109 C Shift Assignments>> C :: 172.892 CA :: 43.273 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.522 HA2 :: 4.422 HA3 :: 3.679 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.996 Ave N Shift Values>> N :: 109.67(3.87) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 C 0.42 C Shift Assignments>> C :: 176.709 CA :: 55.552 CB :: 30.655 CG :: 36.660 CD :: 182.878 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 :: 4.583 HB2 :: 1.789 HB3 :: 1.592 HG2 :: 2.266 HG3 :: 1.983 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 :: 119.746 Ave N Shift Values>> N :: 120.67(3.48) 1.H45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.68 C 0.31 C Shift Assignments>> C :: 173.900 CA :: 53.448 CB :: 31.324 CG :: 131.067 CD2 :: 120.008 CE1 :: 135.973 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.950 HA :: 4.991 HB2 :: 3.505 HB3 :: 2.590 HD1 :: 12.765 HD2 :: 6.926 HE1 :: 8.540 HE2 :: 13.136 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.461 ND1 :: 175.378 NE2 :: 173.217 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 171.433 CA :: 46.453 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.716 HA2 :: 4.039 HA3 :: 3.080 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.432 Ave N Shift Values>> N :: 109.67(3.87) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.8 C 0.19 C Shift Assignments>> C :: 172.748 CA :: 53.192 CB :: 40.558 CG :: 141.338 CD1 :: 131.812 CD2 :: 131.812 CE1 :: 130.908 CE2 :: 130.908 CZ :: 128.385 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 :: 9.638 HA :: 5.807 HB2 :: 3.597 HB3 :: 2.677 HD1 :: 7.413 HD2 :: 7.413 HE1 :: 6.949 HE2 :: 6.949 HZ :: 6.771 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 :: 133.151 Ave N Shift Values>> N :: 120.45(4.18) 1.H48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 H 0.1 C Shift Assignments>> C :: 174.740 CA :: 51.445 CB :: 35.498 CG :: 137.188 CD2 :: 119.271 CE1 :: 138.113 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.072 HA :: 5.211 HB2 :: 2.784 HB3 :: 2.412 HD2 :: 7.431 HE1 :: 6.941 HE2 :: 11.137 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 117.140 NE2 :: 168.287 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.I49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.47 C Shift Assignments>> C :: 177.295 CA :: 60.064 CB :: 37.913 CG1 :: 28.070 CG2 :: 19.607 CD1 :: 13.803 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 :: 9.320 HA :: 4.993 HB :: 1.583 HG12 :: 1.459 HG13 :: 0.907 HG21 :: 0.986 HG22 :: 0.986 HG23 :: 0.986 HD11 :: 0.783 HD12 :: 0.783 HD13 :: 0.783 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 :: 123.112 Ave N Shift Values>> N :: 121.46(4.28) 1.H50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 H 0.3 C Shift Assignments>> C :: 174.137 CA :: 56.265 CB :: 31.182 CG :: 132.000 CD2 :: 128.174 CE1 :: 136.550 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 10.016 HA :: 5.031 HB2 :: 3.452 HB3 :: 2.825 HD1 :: 12.124 HD2 :: 7.049 HE1 :: 8.269 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 129.795 ND1 :: 171.444 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.15 L 0.11 C 0.11 V 0.04 T 0.01 I 0.01 C Shift Assignments>> C :: 176.713 CA :: 55.322 CB :: 20.299 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.261 HA :: 3.793 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) N Shift Assignments>> N :: 119.328 Ave N Shift Values>> N :: 123.23(3.54) 1.N52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.75 D 0.16 C 0.07 HN Overlap>> 1.G53 1.G53 C Shift Assignments>> C :: 175.794 CA :: 50.287 CB :: 40.407 CG :: 176.116 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 :: 8.750 HA :: 5.184 HB2 :: 2.804 HB3 :: 2.677 HD21 :: 6.933 HD22 :: 6.798 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.493 ND2 :: 112.607 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 HN Overlap>> 1.N52 1.N52 C Shift Assignments>> C :: 173.945 CA :: 46.590 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.788 HA2 :: 3.835 HA3 :: 3.076 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.457 Ave N Shift Values>> N :: 109.67(3.87) 1.S54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.215 CA :: 56.734 CB :: 64.411 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.511 HA :: 4.228 HB2 :: 3.630 HB3 :: 2.792(S) 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 :: 116.015 Ave N Shift Values>> N :: 116.28(3.52) 1.C55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.3 L 0.09 C 0.06 F 0.05 Y 0.04 C Shift Assignments>> C :: 174.147 CA :: 52.292 CB :: 39.974 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.658 HA :: 4.659 HB2 :: 3.120 HB3 :: 2.317 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.260 Ave N Shift Values>> N :: 120.17(4.64) 1.Q56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.52 C 0.46 C Shift Assignments>> C :: 172.090 CA :: 54.154 CB :: 26.859 CG :: 33.105 CD :: 179.670 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 :: 7.926 HA :: 3.975 HB2 :: 2.217 HB3 :: 1.508 HG2 :: 2.407 HG3 :: 2.344 HE21 :: 7.569 HE22 :: 6.837 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 :: 119.479 NE2 :: 114.055 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.6 C 0.39 C Shift Assignments>> C :: 176.050 CA :: 62.036 CB :: 32.934 CG :: 27.252 CD :: 50.325 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 :: 4.935 HB2 :: 2.111 HB3 :: 1.628 HG2 :: 1.802 HG3 :: 1.802 HD2 :: 3.571 HD3 :: 3.501 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 :: 133.556 Ave N Shift Values>> N :: 134.16(6.62) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 L 0.22 C 0.09 C Shift Assignments>> C :: 175.198 CA :: 50.936 CB :: 22.055 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.811 HA :: 4.493 HB1 :: 1.114 HB2 :: 1.114 HB3 :: 1.114 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.233 Ave N Shift Values>> N :: 123.23(3.54) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.38 C Shift Assignments>> C :: 176.272 CA :: 59.900 CB :: 36.488 CG1 :: 27.197 CG2 :: 16.964 CD1 :: 10.579 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 :: 8.390 HA :: 4.304 HB :: 1.709 HG12 :: 1.365 HG13 :: 1.079 HG21 :: 0.591 HG22 :: 0.591 HG23 :: 0.591 HD11 :: 0.604 HD12 :: 0.604 HD13 :: 0.604 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 :: 121.026 Ave N Shift Values>> N :: 121.46(4.28) 1.K60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.41 R 0.06 G 0.02 C Shift Assignments>> C :: 175.653 CA :: 55.237 CB :: 35.162 CG :: 24.330 CD :: 28.929 CE :: 42.430 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 :: 8.991 HA :: 4.460 HB2 :: 1.716 HB3 :: 1.458 HG2 :: 1.316 HG3 :: 1.173 HD2 :: 1.304 HD3 :: 1.168 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 :: 130.443 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.56 C 0.39 E 0.03 C Shift Assignments>> C :: 176.438 CA :: 55.392 CB :: 39.368 CG :: 181.223 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 :: 9.482 HA :: 4.207 HB2 :: 2.849 HB3 :: 2.603 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 :: 128.980 Ave N Shift Values>> N :: 120.65(3.86) 1.G62 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 :: 173.716 CA :: 45.371 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.205 HA2 :: 4.097 HA3 :: 3.477 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.789 Ave N Shift Values>> N :: 109.67(3.87) 1.Q63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 Q 0.38 E 0.01 C Shift Assignments>> C :: 173.849 CA :: 53.299 CB :: 31.923 CG :: 32.886 CD :: 180.732 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 :: 7.589 HA :: 4.680 HB2 :: 2.026 HB3 :: 1.867 HG2 :: 2.252 HG3 :: 2.252 HE21 :: 7.543 HE22 :: 6.817 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 :: 119.195 NE2 :: 113.290 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C 0.01 C Shift Assignments>> C :: 177.329 CA :: 52.773 CB :: 18.755 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.632 HA :: 4.233 HB1 :: 1.290 HB2 :: 1.290 HB3 :: 1.290 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.637 Ave N Shift Values>> N :: 123.23(3.54) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 176.063 CA :: 61.779 CB :: 34.245 CG1 :: 22.605 CG2 :: 22.151 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 :: 8.582 HA :: 4.153 HB :: 1.828 HG11 :: 1.008 HG12 :: 1.008 HG13 :: 1.008 HG21 :: 0.983 HG22 :: 0.983 HG23 :: 0.983 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.748 Ave N Shift Values>> N :: 121.14(4.54) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.29 C 0.01 C Shift Assignments>> C :: 177.011 CA :: 53.804 CB :: 18.463 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.794 HA :: 3.644 HB1 :: 0.999 HB2 :: 0.999 HB3 :: 0.999 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.282 Ave N Shift Values>> N :: 123.23(3.54) 1.A67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.21 C 0.01 C Shift Assignments>> C :: 178.345 CA :: 52.429 CB :: 17.944 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.963 HA :: 3.638 HB1 :: 1.060 HB2 :: 1.060 HB3 :: 1.060 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.952 Ave N Shift Values>> N :: 123.23(3.54) 1.E68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 C 0.38 E 0.18 C Shift Assignments>> C :: 178.231 CA :: 56.944 CB :: 29.544 CG :: 34.225 CD :: 180.319 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.374 HA :: 4.233 HB2 :: 1.912 HB3 :: 1.735 HG2 :: 2.184 HG3 :: 1.897 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 :: 123.131 Ave N Shift Values>> N :: 120.67(3.48) 1.A69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.3 C 0.01 HN Overlap>> 1.H90 1.H90 C Shift Assignments>> C :: 178.417 CA :: 53.756 CB :: 18.376 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.438 HA :: 3.974 HB1 :: 1.126 HB2 :: 1.126 HB3 :: 1.126 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.330 Ave N Shift Values>> N :: 123.23(3.54) 1.A70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 L 0.13 C 0.07 M 0.05 V 0.01 C Shift Assignments>> C :: 177.567 CA :: 53.967 CB :: 20.723 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.072 HA :: 4.268 HB1 :: 1.517 HB2 :: 1.517 HB3 :: 1.517 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.932 Ave N Shift Values>> N :: 123.23(3.54) 1.G71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.64 L 0.18 R 0.06 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 176.795 CA :: 44.762 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.745 HA2 :: 4.038 HA3 :: 3.948 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.275 Ave N Shift Values>> N :: 109.67(3.87) 1.G72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.3 G 0.17 D 0.05 F 0.04 C 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.841 CA :: 43.790 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.897 HA2 :: 4.261 HA3 :: 4.261 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.698 Ave N Shift Values>> N :: 109.67(3.87) 1.H73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 H 0.45 HN Overlap>> 1.D118 1.D118 C Shift Assignments>> C :: 174.969 CA :: 54.568 CB :: 29.939 CG :: 137.013 CD2 :: 116.716 CE1 :: 136.501 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.373 HA :: 3.700 HB2 :: 2.018 HB3 :: 1.259(S) HD2 :: 5.820 HE1 :: 5.973(S) Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 118.277 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.37 R 0.04 A 0.01 C Shift Assignments>> C :: 176.452 CA :: 56.887 CB :: 41.845 CG :: 27.325 CD1 :: 25.238 CD2 :: 22.795 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 :: 9.326 HA :: 3.743 HB2 :: 1.329 HB3 :: 1.054 HG :: 1.338 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 HD21 :: 0.922 HD22 :: 0.922 HD23 :: 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 :: 124.861 Ave N Shift Values>> N :: 121.86(3.9) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.67 C 0.29 G 0.02 HN Overlap>> 1.L125 1.L125 C Shift Assignments>> C :: 174.178 CA :: 52.327 CB :: 41.565 CG :: 182.679 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 :: 9.560 HA :: 5.368 HB2 :: 2.855 HB3 :: 2.377 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 126.920 Ave N Shift Values>> N :: 120.65(3.86) 1.P76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.797 CA :: 64.786 CB :: 31.456 CG :: 27.219 CD :: 50.477 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 :: 4.453 HB2 :: 2.374 HB3 :: 2.040 HG2 :: 2.059 HG3 :: 2.033 HD2 :: 3.903 HD3 :: 3.498 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 :: 140.192 Ave N Shift Values>> N :: 134.16(6.62) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.49 C 0.36 E 0.13 C Shift Assignments>> C :: 175.594 CA :: 55.403 CB :: 28.203 CG :: 34.371 CD :: 180.337 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 :: 8.089 HA :: 4.360 HB2 :: 2.273 HB3 :: 1.856 HG2 :: 2.325 HG3 :: 2.325 HE21 :: 7.617 HE22 :: 7.435 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 :: 114.712 NE2 :: 113.246 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.39 D 0.06 E 0.04 Q 0.02 C Shift Assignments>> C :: 175.243 CA :: 54.291 CB :: 36.597 CG :: 178.105 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 :: 8.518 HA :: 4.219 HB2 :: 2.978 HB3 :: 2.612 HD21 :: 7.542 HD22 :: 6.741 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.336 ND2 :: 113.826 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 178.056 CA :: 64.318 CB :: 69.957 CG2 :: 22.312 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 :: 8.711 HA :: 4.045 HB :: 3.997 HG21 :: 1.252 HG22 :: 1.252 HG23 :: 1.252 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.229 Ave N Shift Values>> N :: 115.42(4.75) 1.G80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.332 CA :: 46.125 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.874 HA2 :: 3.946 HA3 :: 3.946 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.733 Ave N Shift Values>> N :: 109.67(3.87) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 K 0.4 A 0.03 R 0.02 G 0.01 C Shift Assignments>> C :: 172.263 CA :: 54.322 CB :: 36.161 CG :: 23.884 CD :: 28.956 CE :: 41.957 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 :: 7.093 HA :: 4.467 HB2 :: 1.523 HB3 :: 1.226 HG2 :: 1.204 HG3 :: 1.174 HD2 :: 1.548 HD3 :: 1.459 HE2 :: 2.756 HE3 :: 2.756 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 :: 117.088 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 C 0.49 C Shift Assignments>> C :: 172.769 CA :: 55.322 CB :: 31.700 CG :: 135.240 CD2 :: 119.467 CE1 :: 139.768 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.347 HA :: 4.207 HB2 :: 3.303 HB3 :: 2.302 HD2 :: 6.724 HE1 :: 7.590 HE2 :: 16.191 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 125.833 NE2 :: 182.423 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.E83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 E 0.28 C Shift Assignments>> C :: 177.044 CA :: 54.262 CB :: 33.396 CG :: 35.979 CD :: 182.406 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 6.443 HA :: 4.749 HB2 :: 1.511 HB3 :: 1.511 HG2 :: 2.187 HG3 :: 1.679 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 :: 122.261 Ave N Shift Values>> N :: 120.67(3.48) 1.G84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 C 0.1 P 0.1 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 174.340 CA :: 47.788 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.534 HA2 :: 4.622 HA3 :: 3.963 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.082 Ave N Shift Values>> N :: 109.67(3.87) 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.599 CA :: 64.310 CB :: 32.448 CG :: 27.574 CD :: 50.546 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 :: 4.420 HB2 :: 2.349 HB3 :: 2.194 HG2 :: 2.054 HG3 :: 2.054 HD2 :: 2.938 HD3 :: 2.938 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 :: 134.053 Ave N Shift Values>> N :: 134.16(6.62) 1.E86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 C 0.39 HN Overlap>> 1.T110 1.T110 C Shift Assignments>> C :: 176.352 CA :: 55.153 CB :: 29.708 CG :: 36.529 CD :: 182.857 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 :: 8.775 HA :: 4.643 HB2 :: 2.337 HB3 :: 1.758 HG2 :: 2.133 HG3 :: 2.133 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 :: 119.191 Ave N Shift Values>> N :: 120.67(3.48) 1.G87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.29 G 0.11 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 172.194 CA :: 43.603 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.867 HA2 :: 4.460 HA3 :: 3.442 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.174 Ave N Shift Values>> N :: 109.67(3.87) 1.Q88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.53 C 0.39 E 0.06 C Shift Assignments>> C :: 176.338 CA :: 53.889 CB :: 28.688 CG :: 33.476 CD :: 181.173 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 :: 8.548 HA :: 4.571 HB2 :: 2.295 HB3 :: 1.670 HG2 :: 2.261 HG3 :: 2.179 HE21 :: 7.540 HE22 :: 6.717 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 :: 117.764 NE2 :: 113.552 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.33 L 0.28 R 0.22 C 0.04 F 0.04 D 0.03 Y 0.02 C Shift Assignments>> C :: 175.948 CA :: 44.176 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.057 HA2 :: 4.396 HA3 :: 3.303 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.861 Ave N Shift Values>> N :: 109.67(3.87) 1.H90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 H 0.45 HN Overlap>> 1.A69 1.A69 C Shift Assignments>> C :: 176.962 CA :: 55.892 CB :: 30.495 CG :: 136.636 CD2 :: 117.124 CE1 :: 138.466 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.352 HA :: 4.358 HB2 :: 3.462 HB3 :: 3.046 HD2 :: 6.822 HE1 :: 7.850 HE2 :: 10.561 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 122.352 NE2 :: 164.409 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.3 G 0.11 R 0.05 C Shift Assignments>> C :: 177.205 CA :: 56.868 CB :: 43.671 CG :: 26.511 CD1 :: 25.454 CD2 :: 23.069 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 :: 7.653 HA :: 4.097 HB2 :: 1.621 HB3 :: 1.354 HG :: 1.626 HD11 :: 0.856 HD12 :: 0.856 HD13 :: 0.856 HD21 :: 0.844 HD22 :: 0.844 HD23 :: 0.844 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 :: 129.811 Ave N Shift Values>> N :: 121.86(3.9) 1.G92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.03 C Shift Assignments>> C :: 172.240 CA :: 45.640 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.482 HA2 :: 3.999 HA3 :: 3.885 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 99.954 Ave N Shift Values>> N :: 109.67(3.87) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.54 C 0.39 E 0.03 N 0.02 C Shift Assignments>> C :: 173.919 CA :: 56.061 CB :: 39.307 CG :: 180.486 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 :: 6.761 HA :: 4.505 HB2 :: 3.241 HB3 :: 2.195 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 :: 121.441 Ave N Shift Values>> N :: 120.65(3.86) 1.L94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.52 C 0.31 A 0.16 C Shift Assignments>> C :: 174.865 CA :: 52.497 CB :: 38.660 CG :: 26.060 CD1 :: 23.595 CD2 :: 23.236 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 :: 7.193 HA :: 4.874 HB2 :: 1.865 HB3 :: 0.731 HG :: 1.365 HD11 :: 0.156 HD12 :: 0.156 HD13 :: 0.156 HD21 :: -1.116(S) HD22 :: -1.116(S) HD23 :: -1.116(S) 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 :: 125.528 Ave N Shift Values>> N :: 121.86(3.9) 1.P95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 P 0.42 C Shift Assignments>> C :: 172.648 CA :: 62.579 CB :: 31.204 CG :: 29.410 CD :: 50.338 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 :: 4.421 HB2 :: 2.582 HB3 :: 1.692 HG2 :: 2.406 HG3 :: 2.081 HD2 :: 3.468 HD3 :: 3.166 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 :: 134.011 Ave N Shift Values>> N :: 134.16(6.62) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 175.756 CA :: 61.592 CB :: 32.692 CG1 :: 22.590 CG2 :: 19.555 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 :: 7.250 HA :: 4.256 HB :: 1.799 HG11 :: 0.993 HG12 :: 0.993 HG13 :: 0.993 HG21 :: 0.793 HG22 :: 0.793 HG23 :: 0.793 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 :: 110.851 Ave N Shift Values>> N :: 121.14(4.54) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.15 G 0.1 A 0.06 R 0.05 C Shift Assignments>> C :: 176.588 CA :: 53.142 CB :: 43.221 CG :: 26.212 CD1 :: 26.199 CD2 :: 23.260 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 :: 8.155 HA :: 4.256 HB2 :: 1.270 HB3 :: 0.461 HG :: 0.870 HD11 :: 0.080 HD12 :: 0.080 HD13 :: 0.080 HD21 :: 0.091 HD22 :: 0.091 HD23 :: 0.091 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 :: 122.670 Ave N Shift Values>> N :: 121.86(3.9) 1.V98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 175.164 CA :: 62.973 CB :: 32.121 CG1 :: 21.884 CG2 :: 21.034 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 :: 8.300 HA :: 4.055 HB :: 1.869 HG11 :: 0.855 HG12 :: 0.855 HG13 :: 0.855 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 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 :: 128.316 Ave N Shift Values>> N :: 121.14(4.54) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 177.049 CA :: 60.712 CB :: 32.295 CG1 :: 23.315 CG2 :: 21.523 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 :: 8.647 HA :: 4.090 HB :: 2.317 HG11 :: 0.585 HG12 :: 0.585 HG13 :: 0.585 HG21 :: 0.696 HG22 :: 0.696 HG23 :: 0.696 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 :: 130.289 Ave N Shift Values>> N :: 121.14(4.54) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.77 D 0.11 C 0.1 C Shift Assignments>> C :: 176.265 CA :: 52.267 CB :: 38.227 CG :: 176.983 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 :: 8.604 HA :: 4.598 HB2 :: 3.548 HB3 :: 2.999 HD21 :: 7.681 HD22 :: 6.840 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 :: 128.974 ND2 :: 112.646 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 C 0.37 D 0.1 C Shift Assignments>> C :: 175.938 CA :: 55.699 CB :: 37.864 CG :: 176.810 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 :: 8.474 HA :: 4.364 HB2 :: 2.792 HB3 :: 2.743 HD21 :: 7.615 HD22 :: 6.925 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 :: 115.417 ND2 :: 113.629 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.82 C 0.14 N 0.02 C Shift Assignments>> C :: 176.499 CA :: 54.054 CB :: 41.176 CG :: 180.410 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 :: 7.932 HA :: 4.722 HB2 :: 2.832 HB3 :: 2.674 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.985 Ave N Shift Values>> N :: 120.65(3.86) 1.G103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.04 C Shift Assignments>> C :: 172.649 CA :: 46.322 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.324 HA2 :: 4.048 HA3 :: 3.871 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.444 Ave N Shift Values>> N :: 109.67(3.87) 1.I104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.44 C Shift Assignments>> C :: 175.633 CA :: 58.758 CB :: 39.822 CG1 :: 27.460 CG2 :: 17.898 CD1 :: 12.497 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 :: 7.150 HA :: 4.644 HB :: 1.78 HG12 :: 1.382 HG13 :: 1.075 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 117.697 Ave N Shift Values>> N :: 121.46(4.28) 1.A105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 L 0.09 C 0.06 C Shift Assignments>> C :: 176.102 CA :: 50.460 CB :: 21.494 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.149 HA :: 5.061 HB1 :: 1.125 HB2 :: 1.125 HB3 :: 1.125 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 130.795 Ave N Shift Values>> N :: 123.23(3.54) 1.T106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 175.104 CA :: 61.048 CB :: 71.025 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 :: 8.459 HA :: 4.826 HB :: 4.311 HG21 :: 1.078 HG22 :: 1.078 HG23 :: 1.078 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.935 Ave N Shift Values>> N :: 115.42(4.75) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 C 0.46 C Shift Assignments>> C :: 173.910 CA :: 53.950 CB :: 29.756 CG :: 35.506 CD :: 184.067 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 :: 8.724 HA :: 4.702 HB2 :: 2.076 HB3 :: 2.019 HG2 :: 2.351 HG3 :: 2.305 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 :: 127.021 Ave N Shift Values>> N :: 120.67(3.48) 1.P108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.52 C 0.47 C Shift Assignments>> C :: 177.347 CA :: 61.866 CB :: 33.167 CG :: 27.119 CD :: 50.967 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 :: 5.258 HB2 :: 2.389 HB3 :: 1.729 HG2 :: 2.050 HG3 :: 2.014 HD2 :: 4.116 HD3 :: 3.760 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) N Shift Assignments>> N :: 135.555 Ave N Shift Values>> N :: 134.16(6.62) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.17 A 0.01 HN Overlap>> 1.G43 1.G43 C Shift Assignments>> C :: 174.528 CA :: 58.752 CB :: 35.104 CG1 :: 21.846 CG2 :: 18.817 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.541 HA :: 4.921 HB :: 2.026 HG11 :: 1.031 HG12 :: 1.031 HG13 :: 1.031 HG21 :: 1.037 HG22 :: 1.037 HG23 :: 1.037 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 :: 112.053 Ave N Shift Values>> N :: 121.14(4.54) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 HN Overlap>> 1.E86 1.E86 C Shift Assignments>> C :: 172.332 CA :: 61.663 CB :: 71.083 CG2 :: 21.319 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 :: 8.691 HA :: 5.388 HB :: 3.779 HG21 :: 0.787 HG22 :: 0.787 HG23 :: 0.787 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 :: 119.243 Ave N Shift Values>> N :: 115.42(4.75) 1.A111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 A 0.16 L 0.04 C 0.01 C Shift Assignments>> C :: 174.608 CA :: 47.896 CB :: 21.440 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.159 HA :: 5.185 HB1 :: 1.559 HB2 :: 1.559 HB3 :: 1.559 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.173 Ave N Shift Values>> N :: 123.23(3.54) 1.P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.76 C 0.23 C Shift Assignments>> C :: 178.499 CA :: 63.733 CB :: 32.645 CG :: 27.094 CD :: 51.196 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 :: 4.864 HB2 :: 2.324 HB3 :: 1.925 HG2 :: 1.980 HG3 :: 1.980 HD2 :: 3.825 HD3 :: 3.800 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 :: 132.897 Ave N Shift Values>> N :: 134.16(6.62) 1.R113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.27 G 0.26 C Shift Assignments>> C :: 177.204 CA :: 57.419 CB :: 31.542 CG :: 27.231 CD :: 44.578 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.141 HA :: 4.107 HB2 :: 2.012 HB3 :: 1.636 HG2 :: 1.865 HG3 :: 1.604 HD2 :: 3.254 HD3 :: 3.150 HE :: 6.721 HH11 :: 6.429 HH12 :: 6.058 HH21 :: 6.429 HH22 :: 6.058 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 114.826 NE :: 85.981 NH1 :: 71.896 NH2 :: 71.896 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.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 G 0.28 C 0.17 R 0.05 C Shift Assignments>> C :: 174.658 CA :: 53.753 CB :: 44.264 CG :: 26.764 CD1 :: 26.408 CD2 :: 24.395 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 :: 7.557 HA :: 4.355 HB2 :: 1.892 HB3 :: 1.173 HG :: 1.452 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 HD21 :: 0.686 HD22 :: 0.686 HD23 :: 0.686 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 :: 121.211 Ave N Shift Values>> N :: 121.86(3.9) 1.K115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.39 R 0.1 G 0.01 C Shift Assignments>> C :: 177.752 CA :: 55.247 CB :: 34.495 CG :: 24.303 CD :: 28.064 CE :: 42.227 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.090 HA :: 4.545 HB2 :: 1.799 HB3 :: 1.721 HG2 :: 1.374 HG3 :: 1.354 HD2 :: 1.530 HD3 :: 1.530 HE2 :: 2.918 HE3 :: 2.918 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 :: 119.500 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S116 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 :: 175.383 CA :: 55.719 CB :: 65.791 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.450 HA :: 5.005 HB2 :: 3.887 HB3 :: 3.618 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.924 Ave N Shift Values>> N :: 116.28(3.52) 1.L117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.42 R 0.01 C Shift Assignments>> C :: 179.278 CA :: 57.136 CB :: 41.244 CG :: 27.530 CD1 :: 24.990 CD2 :: 22.802 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 :: 10.150 HA :: 3.853 HB2 :: 1.572 HB3 :: 1.330 HG :: 1.423 HD11 :: 0.603 HD12 :: 0.603 HD13 :: 0.603 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 :: 128.550 Ave N Shift Values>> N :: 121.86(3.9) 1.D118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.59 C 0.36 N 0.03 HN Overlap>> 1.H73 1.H73 C Shift Assignments>> C :: 178.295 CA :: 57.084 CB :: 40.253 CG :: 179.542 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 :: 8.289 HA :: 4.155 HB2 :: 2.527 HB3 :: 2.527 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.301 Ave N Shift Values>> N :: 120.65(3.86) 1.E119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.65 E 0.33 C Shift Assignments>> C :: 177.482 CA :: 58.347 CB :: 31.471 CG :: 37.906 CD :: 182.858 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.584 HA :: 4.062 HB2 :: 2.317 HB3 :: 1.963 HG2 :: 2.289 HG3 :: 2.289 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 :: 116.419 Ave N Shift Values>> N :: 120.67(3.48) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.16 C Shift Assignments>> C :: 172.340 CA :: 59.117 CB :: 31.058 CG1 :: 23.557 CG2 :: 19.343 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 :: 7.206 HA :: 4.368 HB :: 2.507 HG11 :: 0.683 HG12 :: 0.683 HG13 :: 0.683 HG21 :: 0.791 HG22 :: 0.791 HG23 :: 0.791 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 :: 107.073 Ave N Shift Values>> N :: 121.14(4.54) 1.K121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.46 C 0.46 R 0.06 C Shift Assignments>> C :: 177.602 CA :: 57.650 CB :: 32.896 CG :: 24.227 CD :: 29.188 CE :: 41.736 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 :: 6.493 HA :: 3.645 HB2 :: 1.635 HB3 :: 1.635 HG2 :: 1.533 HG3 :: 1.347 HD2 :: 1.632 HD3 :: 1.632 HE2 :: 2.919 HE3 :: 2.919 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 :: 120.080 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 D 0.41 E 0.08 C Shift Assignments>> C :: 174.060 CA :: 55.361 CB :: 39.082 CG :: 181.821 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 :: 8.959 HA :: 4.306 HB2 :: 2.992 HB3 :: 2.513 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 :: 124.851 Ave N Shift Values>> N :: 120.65(3.86) 1.K123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 R 0.3 K 0.15 G 0.1 A 0.02 C Shift Assignments>> C :: 175.201 CA :: 52.650 CB :: 33.815 CG :: 24.332 CD :: 26.871 CE :: 42.846 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 :: 7.122 HA :: 4.231 HB2 :: 2.260 HB3 :: 1.681 HG2 :: 1.124 HG3 :: 0.979 HD2 :: 1.522 HD3 :: 1.522 HE2 :: 3.017 HE3 :: 2.703 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 :: 114.212 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 L 0.06 C 0.04 C Shift Assignments>> C :: 175.279 CA :: 51.066 CB :: 21.112 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 6.756 HA :: 5.096 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.111 Ave N Shift Values>> N :: 123.23(3.54) 1.L125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 G 0.19 C 0.18 R 0.07 A 0.01 HN Overlap>> 1.D75 1.D75 C Shift Assignments>> C :: 173.458 CA :: 53.947 CB :: 43.968 CG :: 27.063 CD1 :: 25.911 CD2 :: 24.114 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 :: 9.555 HA :: 4.648 HB2 :: 1.918 HB3 :: 1.096 HG :: 1.313 HD11 :: 0.935 HD12 :: 0.935 HD13 :: 0.935 HD21 :: 0.246 HD22 :: 0.246 HD23 :: 0.246 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 :: 126.976 Ave N Shift Values>> N :: 121.86(3.9) 1.M126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.65 C 0.31 M 0.03 C Shift Assignments>> C :: 174.682 CA :: 52.837 CB :: 39.355 CG :: 32.906 CE :: 17.019 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 :: 9.207 HA :: 5.138 HB2 :: 2.721 HB3 :: 1.394 HG2 :: 1.788 HG3 :: 1.582 HE1 :: 1.289 HE2 :: 1.289 HE3 :: 1.289 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 :: 130.155 Ave N Shift Values>> N :: 120.09(3.57) 1.I127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.49 C Shift Assignments>> C :: 177.042 CA :: 59.796 CB :: 40.913 CG1 :: 27.689 CG2 :: 16.852 CD1 :: 15.410 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 :: 8.416 HA :: 5.155 HB :: 1.328 HG12 :: 1.521 HG13 :: 0.818 HG21 :: 0.646 HG22 :: 0.646 HG23 :: 0.646 HD11 :: 0.425 HD12 :: 0.425 HD13 :: 0.425 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 :: 123.074 Ave N Shift Values>> N :: 121.46(4.28) 1.H128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 H 0.24 C Shift Assignments>> C :: 175.082 CA :: 56.265 CB :: 30.348 CG :: 128.644 CD2 :: 128.312 CE1 :: 139.309 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.294 HA :: 4.857 HB2 :: 3.847 HB3 :: 2.764 HE1 :: 7.455 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 128.844 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.V129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 177.570 CA :: 66.279 CB :: 32.812 CG1 :: 23.280 CG2 :: 20.907 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 :: 9.179 HA :: 3.644 HB :: 2.146 HG11 :: 1.112 HG12 :: 1.112 HG13 :: 1.112 HG21 :: 1.048 HG22 :: 1.048 HG23 :: 1.048 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 :: 121.035 Ave N Shift Values>> N :: 121.14(4.54) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 L 0.28 D 0.06 G 0.06 F 0.05 K 0.03 C 0.03 Y 0.03 C Shift Assignments>> C :: 173.365 CA :: 43.311 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.632 HA2 :: 4.362 HA3 :: 3.856 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.751 Ave N Shift Values>> N :: 109.67(3.87) 1.G131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 L 0.29 R 0.24 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 171.762 CA :: 44.096 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.865 HA2 :: 3.811 HA3 :: 3.481 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.110 Ave N Shift Values>> N :: 109.67(3.87) 1.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 C 0.17 D 0.05 C Shift Assignments>> C :: 174.998 CA :: 53.397 CB :: 43.795 CG :: 183.656 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 :: 8.034 HA :: 4.921 HB2 :: 3.065 HB3 :: 2.448 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 :: 117.004 Ave N Shift Values>> N :: 120.65(3.86) 1.N133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.65 C 0.18 D 0.15 C Shift Assignments>> C :: 176.518 CA :: 51.457 CB :: 37.473 CG :: 178.673 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 :: 8.462 HA :: 4.845 HB2 :: 3.216 HB3 :: 2.622 HD21 :: 7.500 HD22 :: 6.818 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 126.469 ND2 :: 113.375 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 A 0.42 M 0.09 C Shift Assignments>> C :: 173.438 CA :: 55.186 CB :: 27.375 CG :: 32.168 CE :: 18.479 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 :: 9.446 HA :: 3.458 HB2 :: 2.409 HB3 :: 1.614 HG2 :: 2.719 HG3 :: 2.110 HE1 :: 2.216 HE2 :: 2.216 HE3 :: 2.216 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 :: 112.943 Ave N Shift Values>> N :: 120.09(3.57) 1.S135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.608 CA :: 55.673 CB :: 63.935 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.387 HA :: 5.050 HB2 :: 3.733 HB3 :: 3.623 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 109.296 Ave N Shift Values>> N :: 116.28(3.52) 1.D136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.61 C 0.31 G 0.06 C Shift Assignments>> C :: 174.044 CA :: 55.450 CB :: 42.543 CG :: 181.824 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 :: 7.814 HA :: 5.272 HB2 :: 2.970 HB3 :: 2.420 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 :: 121.246 Ave N Shift Values>> N :: 120.65(3.86) 1.Q137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.54 C 0.44 C Shift Assignments>> C :: 174.782 CA :: 52.599 CB :: 30.062 CG :: 32.624 CD :: 180.440 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 :: 8.371 HA :: 4.394 HB2 :: 1.901 HB3 :: 1.704 HG2 :: 2.230 HG3 :: 2.185 HE21 :: 7.367 HE22 :: 6.704 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 :: 117.683 NE2 :: 112.422 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 P 0.23 C Shift Assignments>> C :: 176.105 CA :: 63.814 CB :: 33.677 CG :: 24.669 CD :: 49.547 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 :: 4.602 HB2 :: 2.382 HB3 :: 2.121 HG2 :: 1.990 HG3 :: 1.670 HD2 :: 3.507 HD3 :: 3.400 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 :: 133.900 Ave N Shift Values>> N :: 134.16(6.62) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.6 C 0.3 R 0.06 G 0.02 C Shift Assignments>> C :: 172.995 CA :: 52.060 CB :: 34.376 CG :: 24.973 CD :: 29.026 CE :: 41.947 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 :: 7.444 HA :: 4.890 HB2 :: 1.628 HB3 :: 1.291 HG2 :: 1.305 HG3 :: 1.305 HD2 :: 1.627 HD3 :: 1.627 HE2 :: 3.339 HE3 :: 3.339 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 :: 121.205 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 178.145 CA :: 63.088 CB :: 32.412 CG :: 27.270 CD :: 50.556 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 :: 4.402 HB2 :: 2.346 HB3 :: 1.681 HG2 :: 2.052 HG3 :: 2.021 HD2 :: 3.856 HD3 :: 3.517 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 :: 134.944 Ave N Shift Values>> N :: 134.16(6.62) 1.L141 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 L 0.31 A 0.08 C Shift Assignments>> C :: 177.141 CA :: 54.704 CB :: 37.797 CG :: 25.637 CD1 :: 25.068 CD2 :: 23.182 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 :: 10.223 HA :: 2.771(S) HB2 :: 1.763 HB3 :: 0.727 HG :: 1.222 HD11 :: 0.563 HD12 :: 0.563 HD13 :: 0.563 HD21 :: 0.187 HD22 :: 0.187 HD23 :: 0.187 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 :: 118.447 Ave N Shift Values>> N :: 121.86(3.9) 1.G142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 175.186 CA :: 45.572 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.163 HA2 :: 4.755 HA3 :: 4.595 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.428 Ave N Shift Values>> N :: 109.67(3.87) 1.G143 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>> C :: 175.032 CA :: 45.824 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.604 HA2 :: 3.884 HA3 :: 3.509 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.209 Ave N Shift Values>> N :: 109.67(3.87) 1.G144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 175.470 CA :: 47.188 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.063 HA2 :: 3.984 HA3 :: 3.466 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.672 Ave N Shift Values>> N :: 109.67(3.87) 1.G145 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>> C :: 177.132 CA :: 45.674 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.427 HA2 :: 4.039 HA3 :: 3.679 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.398 Ave N Shift Values>> N :: 109.67(3.87) 1.T146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 172.923 CA :: 64.287 CB :: 69.806 CG2 :: 22.257 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 :: 8.887 HA :: 3.929 HB :: 4.097 HG21 :: 1.305 HG22 :: 1.305 HG23 :: 1.305 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 :: 123.941 Ave N Shift Values>> N :: 115.42(4.75) 1.R147 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.58 K 0.24 R 0.13 G 0.03 C Shift Assignments>> C :: 172.400 CA :: 57.691 CB :: 28.732 CG :: 29.740 CD :: 42.779 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 :: 8.854 HA :: 3.406 HB2 :: 1.637 HB3 :: 1.463 HG2 :: 0.939 HG3 :: 0.939 HD2 :: 3.233 HD3 :: 3.233 HE :: 7.295 HH11 :: 9.114(S) HH12 :: 6.766 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 :: 128.623 NE :: 89.093 NH1 :: 75.691 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.Y148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.76 C 0.21 G 0.01 C Shift Assignments>> C :: 175.124 CA :: 59.479 CB :: 42.153 CG :: 128.834 CD1 :: 132.222 CD2 :: 132.222 CE1 :: 117.720 CE2 :: 117.720 CZ :: 157.725 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 :: 9.076 HA :: 4.318 HB2 :: 2.752 HB3 :: 2.338 HD1 :: 6.708 HD2 :: 6.708 HE1 :: 6.728 HE2 :: 6.728 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 :: 126.380 Ave N Shift Values>> N :: 120.52(4.2) 1.A149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 A 0.26 C 0.17 K 0.04 C Shift Assignments>> C :: 174.612 CA :: 50.800 CB :: 23.186 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.138 HA :: 5.120 HB1 :: 1.060 HB2 :: 1.060 HB3 :: 1.060 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.245 Ave N Shift Values>> N :: 123.23(3.54) 1.C150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 L 0.3 R 0.12 C 0.05 D 0.04 F 0.03 Y 0.01 C Shift Assignments>> C :: 172.645 CA :: 55.315 CB :: 44.671 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.198 HA :: 5.793 HB2 :: 3.147 HB3 :: 2.492 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 121.442 Ave N Shift Values>> N :: 120.17(4.64) 1.G151 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> G 0.88 L 0.05 C 0.05 C Shift Assignments>> C :: 171.371 CA :: 46.736 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.091 HA2 :: 4.644 HA3 :: 4.365 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 122.577(S) Ave N Shift Values>> N :: 109.67(3.87) 1.V152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 C Shift Assignments>> C :: 174.857 CA :: 62.870 CB :: 32.786 CG1 :: 21.979 CG2 :: 21.316 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 :: 8.812 HA :: 4.205 HB :: 1.854 HG11 :: 0.703 HG12 :: 0.703 HG13 :: 0.703 HG21 :: 0.615 HG22 :: 0.615 HG23 :: 0.615 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.376 Ave N Shift Values>> N :: 121.14(4.54) 1.I153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> C :: 175.318 CA :: 61.968 CB :: 37.578 CG1 :: 27.441 CG2 :: 18.295 CD1 :: 14.111 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 :: 8.859 HA :: 3.778 HB :: 2.284 HG12 :: 1.800 HG13 :: 0.789 HG21 :: 0.695 HG22 :: 0.695 HG23 :: 0.695 HD11 :: 0.845 HD12 :: 0.845 HD13 :: 0.845 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 :: 131.096 Ave N Shift Values>> N :: 121.46(4.28) 1.K154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.41 R 0.14 C Shift Assignments>> C :: 181.692 CA :: 57.114 CB :: 33.109 CG :: 24.660 CD :: 28.512 CE :: 41.999 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 :: 8.214 HA :: 4.266 HB2 :: 1.858 HB3 :: 1.726 HG2 :: 1.468 HG3 :: 1.433 HD2 :: 1.672 HD3 :: 1.672 HE2 :: 2.997 HE3 :: 2.919 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 :: 133.238 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.CU11 Overall Status: Residue type CU1 not supported. 3.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 146 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 154 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 154 #Suspicious: 0 C Shift Results: #Consistent: 679 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1024 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 177 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.I19 HB = 2.856(S), Expected = 1.78, Std = 0.2900, ChiSquare = 2.0698e-04 1.G20 HA2 = 5.489(S), Expected = 3.97, Std = 0.3700, ChiSquare = 4.0361e-05 1.S54 HB3 = 2.792(S), Expected = 3.85, Std = 0.2700, ChiSquare = 8.9095e-05 1.H73 HB3 = 1.259(S), Expected = 3.04, Std = 0.3800, ChiSquare = 2.7745e-06 1.H73 HE1 = 5.973(S), Expected = 7.95, Std = 0.4800, ChiSquare = 3.8093e-05 1.L94 HD21 = -1.116(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9463e-10 1.L94 HD22 = -1.116(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9463e-10 1.L94 HD23 = -1.116(S), Expected = 0.73, Std = 0.2900, ChiSquare = 1.9463e-10 1.L141 HA = 2.771(S), Expected = 4.32, Std = 0.4700, ChiSquare = 9.8161e-04 1.R147 HH11 = 9.114(S), Expected = 6.91, Std = 0.4600, ChiSquare = 1.6570e-06 1.G151 N = 122.577(S), Expected = 109.67, Std = 3.8700, ChiSquare = 8.5256e-04