Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.36 A 0.13 HN Overlap>> 1.E63 1.E63 C Shift Assignments>> C :: 175.395 CA :: 55.466 CB :: 34.208 CG :: 31.225 CE :: 16.843 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 :: 8.552 HA :: 4.557 HB2 :: 1.891 HB3 :: 1.946 HG2 :: 2.347 HG3 :: 2.389 HE1 :: 1.968 HE2 :: 1.968 HE3 :: 1.968 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.605 Ave N Shift Values>> N :: 120.09(3.57) 1.T2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 172.029 CA :: 63.577 CB :: 69.595 CG2 :: 21.986 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 :: 8.760 HA :: 4.006 HB :: 3.848 HG21 :: 0.706 HG22 :: 0.706 HG23 :: 0.706 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 :: 123.451 Ave N Shift Values>> N :: 115.42(4.75) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 M 0.35 E 0.24 Q 0.03 C Shift Assignments>> C :: 175.214 CA :: 53.954 CB :: 31.912 CG :: 36.078 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 :: 8.348 HA :: 5.307 HB2 :: 1.861 HB3 :: 1.777 HG2 :: 2.012 HG3 :: 2.187 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 :: 127.263 Ave N Shift Values>> N :: 120.67(3.48) 1.Y4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.25 C Shift Assignments>> C :: 174.693 CA :: 56.730 CB :: 41.870 CD1 :: 132.967 CE1 :: 118.118 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.768 HA :: 5.106 HB2 :: 2.646 HB3 :: 2.646 HD1 :: 6.889 HD2 :: 6.889 HE1 :: 6.634 HE2 :: 6.634 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 :: 122.605 Ave N Shift Values>> N :: 120.52(4.2) 1.K5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.51 C 0.37 R 0.1 HN Overlap>> 1.I55 1.K16 1.L53 1.I55 1.K16 1.L53 C Shift Assignments>> C :: 175.253 CA :: 55.530 CB :: 32.522 CG :: 24.943 CD :: 29.323 CE :: 42.004 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 :: 9.104 HA :: 5.122 HB2 :: 1.784 HB3 :: 1.913 HG2 :: 1.408 HG3 :: 1.464 HD2 :: 1.606 HD3 :: 1.606 HE2 :: 2.889 HE3 :: 2.889 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.691 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 R 0.21 C 0.2 G 0.09 A 0.01 C Shift Assignments>> C :: 175.273 CA :: 52.989 CB :: 43.118 CG :: 27.609 CD1 :: 24.391 CD2 :: 26.578 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 :: 9.234 HA :: 4.911 HB2 :: 1.886 HB3 :: 1.178 HG :: 1.721 HD11 :: 0.667 HD12 :: 0.667 HD13 :: 0.667 HD21 :: 0.948 HD22 :: 0.948 HD23 :: 0.948 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 126.425 Ave N Shift Values>> N :: 121.86(3.9) 1.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 HN Overlap>> 1.V45 1.V45 C Shift Assignments>> C :: 174.297 CA :: 60.766 CB :: 33.928 CG1 :: 22.010 CG2 :: 22.260 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 :: 8.103 HA :: 4.849 HB :: 1.748 HG11 :: 0.714 HG12 :: 0.714 HG13 :: 0.714 HG21 :: 0.992 HG22 :: 0.992 HG23 :: 0.992 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 :: 121.859 Ave N Shift Values>> N :: 121.14(4.54) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.36 C Shift Assignments>> C :: 175.439 CA :: 62.104 CB :: 32.660 CG1 :: 20.516 CG2 :: 22.350 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 :: 8.754 HA :: 4.684 HB :: 2.287 HG11 :: 0.944 HG12 :: 0.944 HG13 :: 0.944 HG21 :: 0.934 HG22 :: 0.934 HG23 :: 0.934 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 :: 128.748 Ave N Shift Values>> N :: 121.14(4.54) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.27 C Shift Assignments>> C :: 172.908 CA :: 59.050 CB :: 35.600 CG1 :: 20.925 CG2 :: 22.277 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 :: 9.103 HA :: 4.616 HB :: 2.064 HG11 :: 0.856 HG12 :: 0.856 HG13 :: 0.856 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.568 Ave N Shift Values>> N :: 121.14(4.54) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.29 G 0.22 D 0.04 F 0.04 C 0.04 Y 0.02 C Shift Assignments>> C :: 172.512 CA :: 43.937 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.413 HA2 :: 2.941 HA3 :: 4.641 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.076 Ave N Shift Values>> N :: 109.67(3.87) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.06 C 0.02 L 0.01 C Shift Assignments>> C :: 177.423 CA :: 52.410 CB :: 19.789 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.032 HA :: 4.552 HB1 :: 1.634 HB2 :: 1.634 HB3 :: 1.634 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.008 Ave N Shift Values>> N :: 123.23(3.54) 1.G12 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 :: 176.836 CA :: 46.522 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.674 HA2 :: 3.706 HA3 :: 4.798 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.217 Ave N Shift Values>> N :: 109.67(3.87) 1.G13 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 :: 174.653 CA :: 46.453 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.878 HA2 :: 3.915 HA3 :: 4.201 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.291 Ave N Shift Values>> N :: 109.67(3.87) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.18 C Shift Assignments>> C :: 174.560 CA :: 62.972 CB :: 32.080 CG1 :: 17.725 CG2 :: 22.108 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 :: 7.422 HA :: 3.997 HB :: 2.095 HG11 :: 0.961 HG12 :: 0.961 HG13 :: 0.961 HG21 :: 1.164 HG22 :: 1.164 HG23 :: 1.164 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 :: 112.000 Ave N Shift Values>> N :: 121.14(4.54) 1.G15 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 :: 173.340 CA :: 45.848 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.389 HA2 :: 4.608 HA3 :: 4.301 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.172 Ave N Shift Values>> N :: 109.67(3.87) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 I 0.19 V 0.12 E 0.09 R 0.07 H 0.06 Q 0.04 P 0.04 K 0.02 M 0.01 HN Overlap>> 1.K5 1.I55 1.K5 1.I55 1.L53 1.L53 C Shift Assignments>> C :: 179.165 CA :: 61.062 CB :: 29.951 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 9.096 HA :: 3.542 HB2 :: 2.457 HB3 :: 1.662 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 123.662 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.728 CA :: 61.329 CB :: 61.412 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.555 HA :: 4.325 HB2 :: 3.705 HB3 :: 3.705 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 120.007 Ave N Shift Values>> N :: 116.28(3.52) 1.A18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.37 C 0.03 I 0.01 C Shift Assignments>> C :: 181.842 CA :: 54.678 CB :: 18.702 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.234 HA :: 3.946 HB1 :: 1.441 HB2 :: 1.441 HB3 :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.591 Ave N Shift Values>> N :: 123.23(3.54) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 L 0.28 R 0.22 G 0.05 C Shift Assignments>> C :: 177.518 CA :: 58.914 CB :: 43.074 CG :: 27.326 CD1 :: 26.821 CD2 :: 24.568 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 :: 8.773 HA :: 3.880 HB2 :: 1.313 HB3 :: 2.227 HG :: 1.901 HD11 :: 0.631 HD12 :: 0.631 HD13 :: 0.631 HD21 :: 0.795 HD22 :: 0.795 HD23 :: 0.795 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.127 Ave N Shift Values>> N :: 121.86(3.9) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.726 CA :: 68.216 CB :: 68.255 CG2 :: 22.101 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 :: 7.557 HA :: 3.399 HB :: 4.088 HG21 :: 0.608 HG22 :: 0.608 HG23 :: 0.608 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 :: 116.923 Ave N Shift Values>> N :: 115.42(4.75) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 179.311 CA :: 64.200 CB :: 36.576 CG1 :: 29.569 CG2 :: 17.590 CD1 :: 11.648 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 :: 8.983 HA :: 3.318 HB :: 1.856 HG12 :: 1.086 HG13 :: 1.327 HG21 :: 0.662 HG22 :: 0.662 HG23 :: 0.662 HD11 :: 0.583 HD12 :: 0.583 HD13 :: 0.583 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.799 Ave N Shift Values>> N :: 121.46(4.28) 1.Q22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.25 Q 0.25 E 0.05 M 0.04 R 0.02 I 0.01 C Shift Assignments>> C :: 179.230 CA :: 59.086 CB :: 29.513 CG :: 33.539 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 :: 8.854 HA :: 4.377 HB2 :: 2.020 HB3 :: 2.359 HG2 :: 2.376 HG3 :: 2.602 HE21 :: 6.624 HE22 :: 7.754 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 :: 115.924 NE2 :: 107.506 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.53 C 0.45 C Shift Assignments>> C :: 178.148 CA :: 58.215 CB :: 40.767 CG :: 26.268 CD1 :: 24.064 CD2 :: 22.756 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 :: 7.718 HA :: 3.726 HB2 :: 0.972 HB3 :: 1.570 HG :: 0.910 HD11 :: -0.230(S) HD12 :: -0.230(S) HD13 :: -0.230(S) HD21 :: 0.622 HD22 :: 0.622 HD23 :: 0.622 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.590 Ave N Shift Values>> N :: 121.86(3.9) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 177.465 CA :: 62.104 CB :: 37.406 CG1 :: 26.387 CG2 :: 17.709 CD1 :: 10.747 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 :: 8.032 HA :: 3.689 HB :: 1.769 HG12 :: 1.540 HG13 :: 1.106 HG21 :: 0.964 HG22 :: 0.964 HG23 :: 0.964 HD11 :: 0.498 HD12 :: 0.498 HD13 :: 0.498 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 :: 113.827 Ave N Shift Values>> N :: 121.46(4.28) 1.Q25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 C 0.23 K 0.21 M 0.15 E 0.06 R 0.01 C Shift Assignments>> C :: 176.298 CA :: 55.398 CB :: 30.056 CG :: 33.720 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 :: 8.840 HA :: 4.538 HB2 :: 2.171 HB3 :: 1.823 HG2 :: 2.243 HG3 :: 2.421 HE21 :: 6.945 HE22 :: 7.491 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 :: 115.804 NE2 :: 110.456 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.34 C 0.18 Y 0.11 E 0.1 F 0.08 M 0.05 D 0.05 L 0.01 I 0.01 HN Overlap>> 1.R73 1.R73 C Shift Assignments>> C :: 174.216 CA :: 54.429 CB :: 37.412 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 :: 8.001 HA :: 4.827 HB2 :: 2.775 HB3 :: 3.071 HD21 :: 6.733 HD22 :: 7.461 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.398 ND2 :: 112.073 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H27 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 :: 172.420 CA :: 54.247 CB :: 31.734 CD2 :: 119.871 CE1 :: 136.610 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 :: 6.802 HA :: 4.879 HB2 :: 3.004 HB3 :: 3.121 HD2 :: 6.941 HE1 :: 8.534 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 :: 110.659 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.38 C 0.16 HN Overlap>> 1.K42 1.K42 1.E62 1.E62 C Shift Assignments>> C :: 174.937 CA :: 55.907 CB :: 40.416 CD2 :: 131.943 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.653 HA :: 4.945 HB2 :: 3.065 HB3 :: 2.828 HD1 :: 7.029 HD2 :: 7.029 HE1 :: 6.581 HE2 :: 6.581 HZ :: 6.717 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.359 Ave N Shift Values>> N :: 120.45(4.18) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.47 C Shift Assignments>> C :: 173.806 CA :: 61.256 CB :: 33.226 CG1 :: 19.700 CG2 :: 21.429 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 :: 7.430 HA :: 3.943 HB :: 1.795 HG11 :: 0.622 HG12 :: 0.622 HG13 :: 0.622 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 :: 125.397 Ave N Shift Values>> N :: 121.14(4.54) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 K 0.14 F 0.09 Y 0.07 N 0.07 C 0.05 R 0.02 C Shift Assignments>> C :: 176.125 CA :: 54.659 CB :: 41.367 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 :: 7.668 HA :: 4.203 HB2 :: 2.588 HB3 :: 2.510 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.258 Ave N Shift Values>> N :: 120.65(3.86) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.3 M 0.13 Q 0.09 K 0.06 I 0.01 HN Overlap>> 1.S65 1.S65 C Shift Assignments>> C :: 174.956 CA :: 56.266 CB :: 30.452 CG :: 35.901 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 :: 7.866 HA :: 4.272 HB2 :: 1.873 HB3 :: 1.956 HG2 :: 2.111 HG3 :: 2.111 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.603 Ave N Shift Values>> N :: 120.67(3.48) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 C Shift Assignments>> C :: 174.406 CA :: 57.553 CB :: 39.095 CD1 :: 132.933 CE1 :: 118.227 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.280 HA :: 4.497 HB2 :: 2.882 HB3 :: 2.882 HD1 :: 7.059 HD2 :: 7.059 HE1 :: 6.777 HE2 :: 6.777 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 121.811 Ave N Shift Values>> N :: 120.52(4.2) 1.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 N 0.2 L 0.19 C 0.05 K 0.05 F 0.04 Y 0.02 R 0.01 C Shift Assignments>> C :: 173.913 CA :: 51.325 CB :: 41.486 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 :: 8.139 HA :: 4.880 HB2 :: 2.462 HB3 :: 2.720 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 :: 126.010 Ave N Shift Values>> N :: 120.65(3.86) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 176.998 CA :: 63.278 CB :: 32.208 CG :: 26.931 CD :: 50.725 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 :: 4.417 HB2 :: 2.282 HB3 :: 1.997 HG2 :: 1.967 HG3 :: 1.967 HD2 :: 3.549 HD3 :: 3.746 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.740 CA :: 58.601 CB :: 63.797 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.501 HA :: 4.434 HB2 :: 3.855 HB3 :: 3.893 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 :: 116.437 Ave N Shift Values>> N :: 116.28(3.52) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 175.966 CA :: 61.633 CB :: 38.803 CG1 :: 27.192 CG2 :: 17.666 CD1 :: 13.299 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 :: 7.891 HA :: 4.210 HB :: 1.911 HG12 :: 1.154 HG13 :: 1.420 HG21 :: 0.917 HG22 :: 0.917 HG23 :: 0.917 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 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 :: 121.666 Ave N Shift Values>> N :: 121.46(4.28) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.32 M 0.15 Q 0.06 K 0.04 I 0.01 C Shift Assignments>> C :: 175.338 CA :: 56.224 CB :: 30.625 CG :: 36.135 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 :: 8.171 HA :: 4.409 HB2 :: 1.792 HB3 :: 1.979 HG2 :: 2.184 HG3 :: 2.184 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 :: 123.433 Ave N Shift Values>> N :: 120.67(3.48) 1.D38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.26 K 0.15 R 0.09 F 0.06 N 0.04 C 0.04 Y 0.04 HN Overlap>> 1.Y64 1.Y64 C Shift Assignments>> C :: 174.646 CA :: 54.043 CB :: 42.104 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 :: 8.142 HA :: 4.660 HB2 :: 2.544 HB3 :: 2.704 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.615 Ave N Shift Values>> N :: 120.65(3.86) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.377 CA :: 56.889 CB :: 64.861 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.767 HA :: 5.008 HB2 :: 3.640 HB3 :: 3.640 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 113.451 Ave N Shift Values>> N :: 116.28(3.52) 1.Y40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.24 HN Overlap>> 1.L52 1.L52 C Shift Assignments>> C :: 174.159 CA :: 56.982 CB :: 41.553 CD1 :: 133.242 CD2 :: 133.242 CE1 :: 117.917 CE2 :: 117.917 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.902 HA :: 4.679 HB2 :: 2.712 HB3 :: 2.910 HD1 :: 6.995 HD2 :: 6.995 HE1 :: 6.760 HE2 :: 6.760 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 :: 122.443 Ave N Shift Values>> N :: 120.52(4.2) 1.R41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.25 G 0.21 K 0.06 C Shift Assignments>> C :: 176.040 CA :: 54.382 CB :: 34.168 CG :: 27.588 CD :: 43.724 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 :: 8.322 HA :: 5.800 HB2 :: 1.678 HB3 :: 1.678 HG2 :: 1.564 HG3 :: 1.541 HD2 :: 3.082 HD3 :: 3.121 HE :: 7.418 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.790 NE :: 84.274 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.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 R 0.34 K 0.04 G 0.02 HN Overlap>> 1.F28 1.E62 1.F28 1.E62 C Shift Assignments>> C :: 173.739 CA :: 55.623 CB :: 38.030 CG :: 25.131 CD :: 30.340 CE :: 42.388 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 :: 8.686 HA :: 4.505 HB2 :: 1.474 HB3 :: 1.679 HG2 :: 1.255 HG3 :: 1.471 HD2 :: 1.397 HD3 :: 1.731 HE2 :: 3.057 HE3 :: 3.057 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.451 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.23 K 0.18 E 0.16 M 0.11 C Shift Assignments>> C :: 175.285 CA :: 55.369 CB :: 29.915 CG :: 34.550 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 :: 8.871 HA :: 5.300 HB2 :: 1.942 HB3 :: 1.942 HG2 :: 2.123 HG3 :: 2.231 HE21 :: 7.260 HE22 :: 6.783 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 :: 128.892 NE2 :: 111.512 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.2 C Shift Assignments>> C :: 173.179 CA :: 59.566 CB :: 36.105 CG1 :: 19.966 CG2 :: 21.677 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 :: 9.062 HA :: 4.734 HB :: 2.043 HG11 :: 0.706 HG12 :: 0.706 HG13 :: 0.706 HG21 :: 0.849 HG22 :: 0.849 HG23 :: 0.849 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 :: 121.463 Ave N Shift Values>> N :: 121.14(4.54) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 HN Overlap>> 1.V7 1.V7 C Shift Assignments>> C :: 175.647 CA :: 61.767 CB :: 32.289 CG1 :: 20.866 CG2 :: 20.964 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 :: 8.125 HA :: 4.602 HB :: 1.851 HG11 :: 0.636 HG12 :: 0.636 HG13 :: 0.636 HG21 :: 0.880 HG22 :: 0.880 HG23 :: 0.880 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 :: 121.946 Ave N Shift Values>> N :: 121.14(4.54) 1.I46 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.56 C 0.43 C Shift Assignments>> C :: 176.483 CA :: 60.283 CB :: 40.065 CG1 :: 26.020 CG2 :: 16.330 CD1 :: 15.140 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 :: 8.274 HA :: 3.969 HB :: 1.363 HG12 :: -0.322(S) HG13 :: 0.910 HG21 :: 0.526 HG22 :: 0.526 HG23 :: 0.526 HD11 :: 0.449 HD12 :: 0.449 HD13 :: 0.449 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 :: 125.850 Ave N Shift Values>> N :: 121.46(4.28) 1.D47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 N 0.2 F 0.17 Y 0.17 C 0.11 L 0.09 I 0.01 C Shift Assignments>> C :: 176.192 CA :: 55.284 CB :: 39.353 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 :: 9.548 HA :: 4.258 HB2 :: 2.784 HB3 :: 2.884 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 130.434 Ave N Shift Values>> N :: 120.65(3.86) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.202 CA :: 45.308 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.298 HA2 :: 4.140 HA3 :: 3.452 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.273 Ave N Shift Values>> N :: 109.67(3.87) 1.E49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 M 0.32 E 0.26 Q 0.03 C Shift Assignments>> C :: 175.628 CA :: 54.656 CB :: 32.051 CG :: 36.175 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 :: 7.703 HA :: 4.632 HB2 :: 1.816 HB3 :: 2.049 HG2 :: 2.269 HG3 :: 2.098 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 :: 122.515 Ave N Shift Values>> N :: 120.67(3.48) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.597 CA :: 63.828 CB :: 68.376 CG2 :: 22.045 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 :: 8.963 HA :: 4.629 HB :: 4.089 HG21 :: 1.175 HG22 :: 1.175 HG23 :: 1.175 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 125.741 Ave N Shift Values>> N :: 115.42(4.75) 1.C51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.16 C 0.15 M 0.15 H 0.15 K 0.13 E 0.12 Q 0.08 V 0.01 C Shift Assignments>> C :: 171.356 CA :: 56.606 CB :: 31.396 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.407 HA :: 5.134 HB2 :: 2.840 HB3 :: 2.903 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.703 Ave N Shift Values>> N :: 120.17(4.64) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.28 C 0.17 R 0.01 HN Overlap>> 1.Y40 1.Y40 C Shift Assignments>> C :: 175.034 CA :: 53.413 CB :: 44.167 CG :: 27.281 CD1 :: 24.588 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.811 HA :: 4.910 HB2 :: 1.461 HB3 :: 1.554 HG :: 1.454 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 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 :: 122.390 Ave N Shift Values>> N :: 121.86(3.9) 1.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.73 C 0.19 R 0.04 A 0.01 G 0.01 HN Overlap>> 1.K5 1.I55 1.K16 1.K5 1.I55 1.K16 C Shift Assignments>> C :: 174.535 CA :: 53.632 CB :: 42.125 CG :: 27.058 CD1 :: 25.418 CD2 :: 24.190 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 :: 9.112 HA :: 4.882 HB2 :: 1.930 HB3 :: 1.172 HG :: 1.856 HD11 :: 0.774 HD12 :: 0.774 HD13 :: 0.774 HD21 :: 0.783 HD22 :: 0.783 HD23 :: 0.783 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.666 Ave N Shift Values>> N :: 121.86(3.9) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.24 N 0.12 K 0.09 F 0.05 C 0.04 Y 0.03 R 0.03 C Shift Assignments>> C :: 174.826 CA :: 52.677 CB :: 41.676 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 :: 8.775 HA :: 5.285 HB2 :: 2.438 HB3 :: 2.789 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 :: 124.824 Ave N Shift Values>> N :: 120.65(3.86) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 C 0.49 HN Overlap>> 1.K5 1.K5 1.K16 1.L53 1.K16 1.L53 C Shift Assignments>> C :: 174.702 CA :: 60.149 CB :: 39.466 CG1 :: 28.089 CG2 :: 19.602 CD1 :: 14.535 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 :: 9.110 HA :: 4.707 HB :: 1.819 HG12 :: 1.034 HG13 :: 1.314 HG21 :: 0.863 HG22 :: 0.863 HG23 :: 0.863 HD11 :: 0.539 HD12 :: 0.539 HD13 :: 0.539 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 :: 123.696 Ave N Shift Values>> N :: 121.46(4.28) 1.L56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 C 0.21 R 0.02 A 0.01 G 0.01 C Shift Assignments>> C :: 174.128 CA :: 53.928 CB :: 42.069 CG :: 27.199 CD1 :: 25.009 CD2 :: 23.924 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 :: 8.945 HA :: 4.683 HB2 :: 1.369 HB3 :: 1.369 HG :: 1.293 HD11 :: 0.526 HD12 :: 0.526 HD13 :: 0.526 HD21 :: 0.604 HD22 :: 0.604 HD23 :: 0.604 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 :: 129.718 Ave N Shift Values>> N :: 121.86(3.9) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.26 K 0.12 N 0.08 F 0.05 R 0.05 C 0.04 Y 0.03 HN Overlap>> 1.A66 1.A66 C Shift Assignments>> C :: 176.376 CA :: 53.284 CB :: 41.837 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 :: 8.656 HA :: 4.784 HB2 :: 2.889 HB3 :: 2.553 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 127.092 Ave N Shift Values>> N :: 120.65(3.86) 1.T58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.22 C Shift Assignments>> C :: 172.844 CA :: 61.339 CB :: 71.545 CG2 :: 22.434 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 :: 7.361 HA :: 4.451 HB :: 4.258 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 113.463 Ave N Shift Values>> N :: 115.42(4.75) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 L 0.04 C 0.03 M 0.01 C Shift Assignments>> C :: 179.602 CA :: 51.616 CB :: 20.712 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.373 HA :: 4.761 HB1 :: 1.508 HB2 :: 1.508 HB3 :: 1.508 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.804 Ave N Shift Values>> N :: 123.23(3.54) 1.G60 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 :: 175.060 CA :: 46.259 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.387 HA2 :: 3.825 HA3 :: 4.326 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.496 Ave N Shift Values>> N :: 109.67(3.87) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.3 K 0.26 C 0.24 E 0.09 M 0.04 R 0.02 C Shift Assignments>> C :: 176.338 CA :: 56.385 CB :: 29.271 CG :: 34.025 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 :: 8.198 HA :: 4.419 HB2 :: 2.088 HB3 :: 2.229 HG2 :: 2.428 HG3 :: 2.428 HE21 :: 7.631 HE22 :: 7.062 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 :: 119.587 NE2 :: 112.739 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.39 C 0.35 K 0.07 I 0.06 M 0.04 Q 0.04 HN Overlap>> 1.K42 1.F28 1.K42 1.F28 C Shift Assignments>> C :: 177.032 CA :: 57.713 CB :: 29.847 CG :: 36.356 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 :: 8.687 HA :: 4.209 HB2 :: 2.081 HB3 :: 2.008 HG2 :: 2.321 HG3 :: 2.321 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 :: 122.411 Ave N Shift Values>> N :: 120.67(3.48) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.32 Q 0.09 M 0.09 K 0.08 I 0.02 HN Overlap>> 1.M1 1.M1 C Shift Assignments>> C :: 176.203 CA :: 57.129 CB :: 30.183 CG :: 35.877 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.537 HA :: 4.215 HB2 :: 1.889 HB3 :: 1.889 HG2 :: 2.098 HG3 :: 2.125 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 :: 120.635 Ave N Shift Values>> N :: 120.67(3.48) 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 HN Overlap>> 1.D38 1.D38 C Shift Assignments>> C :: 175.952 CA :: 58.160 CB :: 38.218 CD1 :: 133.008 CE1 :: 118.257 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.224 HA :: 4.571 HB2 :: 2.940 HB3 :: 3.087 HD1 :: 7.085 HD2 :: 7.085 HE1 :: 6.784 HE2 :: 6.784 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 120.543 Ave N Shift Values>> N :: 120.52(4.2) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E31 1.E31 C Shift Assignments>> C :: 174.848 CA :: 58.550 CB :: 63.887 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.827 HA :: 4.287 HB2 :: 3.781 HB3 :: 3.968 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 :: 118.533 Ave N Shift Values>> N :: 116.28(3.52) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.43 C 0.02 I 0.02 HN Overlap>> 1.D57 1.D57 C Shift Assignments>> C :: 179.850 CA :: 54.661 CB :: 18.330 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.698 HA :: 4.184 HB1 :: 1.465 HB2 :: 1.465 HB3 :: 1.465 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.171 Ave N Shift Values>> N :: 123.23(3.54) 1.M67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.45 A 0.04 HN Overlap>> 1.D153 1.D153 C Shift Assignments>> C :: 177.103 CA :: 56.879 CB :: 32.078 CG :: 32.078 CE :: 16.950 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 :: 8.038 HA :: 4.271 HB2 :: 1.902 HB3 :: 1.979 HG2 :: 2.436 HG3 :: 2.521 HE1 :: 2.054 HE2 :: 2.054 HE3 :: 2.054 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 :: 117.192 Ave N Shift Values>> N :: 120.09(3.57) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.4 G 0.1 K 0.02 C Shift Assignments>> C :: 177.834 CA :: 59.170 CB :: 29.920 CG :: 27.680 CD :: 43.665 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.754 HA :: 3.835 HB2 :: 1.947 HB3 :: 1.947 HG2 :: 1.689 HG3 :: 1.733 HD2 :: 3.360 HD3 :: 3.360 HE :: 7.412 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.282 NE :: 84.327 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.D69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 L 0.11 C 0.11 D 0.1 K 0.06 I 0.05 N 0.01 HN Overlap>> 1.R161 1.Y71 1.R161 1.Y71 C Shift Assignments>> C :: 178.062 CA :: 57.525 CB :: 40.472 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 :: 8.124 HA :: 4.301 HB2 :: 2.632 HB3 :: 2.759 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 :: 118.833 Ave N Shift Values>> N :: 120.65(3.86) 1.Q70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.24 Q 0.23 R 0.09 E 0.03 I 0.02 M 0.01 C Shift Assignments>> C :: 178.889 CA :: 59.006 CB :: 28.223 CG :: 33.527 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 :: 7.831 HA :: 4.049 HB2 :: 2.120 HB3 :: 2.168 HG2 :: 2.360 HG3 :: 2.360 HE21 :: 6.886 HE22 :: 7.442 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 118.208 NE2 :: 111.967 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Y 0.38 F 0.22 HN Overlap>> 1.D69 1.R161 1.D69 1.R161 C Shift Assignments>> C :: 178.626 CA :: 58.906 CB :: 36.987 CD2 :: 132.485 CE2 :: 118.358 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.149 HA :: 4.520 HB2 :: 2.990 HB3 :: 3.209 HD1 :: 7.014 HD2 :: 7.014 HE1 :: 6.818 HE2 :: 6.818 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.833 Ave N Shift Values>> N :: 120.52(4.2) 1.M72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 M 0.3 HN Overlap>> 1.R97 1.R97 C Shift Assignments>> C :: 177.105 CA :: 59.136 CB :: 32.875 CG :: 33.648 CE :: 17.796 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 :: 8.375 HA :: 4.389 HB2 :: 1.958 HB3 :: 2.365 HG2 :: 2.961 HG3 :: 2.469 HE1 :: 2.057 HE2 :: 2.057 HE3 :: 2.057 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 118.379 Ave N Shift Values>> N :: 120.09(3.57) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 R 0.31 K 0.09 G 0.08 HN Overlap>> 1.N26 1.N26 C Shift Assignments>> C :: 178.194 CA :: 59.577 CB :: 30.537 CG :: 28.695 CD :: 43.424 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.996 HA :: 3.916 HB2 :: 1.948 HB3 :: 1.948 HG2 :: 1.682 HG3 :: 1.794 HD2 :: 3.201 HD3 :: 3.284 HE :: 7.398 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 :: 116.485 NE :: 85.021 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.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 175.706 CA :: 63.071 CB :: 69.815 CG2 :: 21.934 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 :: 7.733 HA :: 4.218 HB :: 4.260 HG21 :: 1.277 HG22 :: 1.277 HG23 :: 1.277 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 109.062 Ave N Shift Values>> N :: 115.42(4.75) 1.G75 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 :: 172.424 CA :: 46.488 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.844 HA2 :: 3.510 HA3 :: 3.223 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.020 Ave N Shift Values>> N :: 109.67(3.87) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 E 0.14 M 0.12 C Shift Assignments>> C :: 176.517 CA :: 56.444 CB :: 32.452 CG :: 38.103 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 :: 8.760 HA :: 4.524 HB2 :: 2.154 HB3 :: 2.374 HG2 :: 2.396 HG3 :: 2.482 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 :: 120.604 Ave N Shift Values>> N :: 120.67(3.48) 1.G77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> C :: 170.813 CA :: 45.427 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.206 HA2 :: 4.914 HA3 :: 3.155 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 101.207 Ave N Shift Values>> N :: 109.67(3.87) 1.F78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 F 0.36 C 0.15 G 0.05 C Shift Assignments>> C :: 173.692 CA :: 57.042 CB :: 42.987 CD2 :: 132.699 CE2 :: 130.582 CZ :: 130.089 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.212 HA :: 5.427 HB2 :: 2.746 HB3 :: 2.746 HD1 :: 7.085 HD2 :: 7.085 HE1 :: 7.066 HE2 :: 7.066 HZ :: 7.685 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 :: 121.208 Ave N Shift Values>> N :: 120.45(4.18) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.2 R 0.08 G 0.06 C Shift Assignments>> C :: 174.735 CA :: 53.956 CB :: 43.118 CG :: 27.013 CD1 :: 25.027 CD2 :: 25.609 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 :: 9.246 HA :: 4.694 HB2 :: 1.184 HB3 :: 1.623 HG :: 1.082 HD11 :: 0.113 HD12 :: 0.113 HD13 :: 0.113 HD21 :: 0.161 HD22 :: 0.161 HD23 :: 0.161 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 :: 126.705 Ave N Shift Values>> N :: 121.86(3.9) 1.C80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.2 C 0.17 Q 0.13 L 0.1 K 0.1 H 0.09 I 0.08 E 0.08 M 0.01 C Shift Assignments>> C :: 172.783 CA :: 57.828 CB :: 27.614 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.762 HA :: 4.717 HB2 :: 2.665 HB3 :: 2.957 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.662 Ave N Shift Values>> N :: 120.17(4.64) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 175.216 CA :: 61.324 CB :: 33.341 CG1 :: 22.779 CG2 :: 22.090 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 :: 9.034 HA :: 4.985 HB :: 1.798 HG11 :: 0.556 HG12 :: 0.556 HG13 :: 0.556 HG21 :: 0.663 HG22 :: 0.663 HG23 :: 0.663 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 126.292 Ave N Shift Values>> N :: 121.14(4.54) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.19 F 0.15 Y 0.12 N 0.09 C 0.07 K 0.07 I 0.01 C Shift Assignments>> C :: 171.336 CA :: 55.335 CB :: 40.682 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 :: 9.353 HA :: 5.011 HB2 :: 2.932 HB3 :: 3.683 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 123.774 Ave N Shift Values>> N :: 120.45(4.18) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 L 0.1 C 0.08 HN Overlap>> 1.N116 1.N116 C Shift Assignments>> C :: 179.272 CA :: 49.873 CB :: 21.794 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.813 HA :: 5.075 HB1 :: 1.494 HB2 :: 1.494 HB3 :: 1.494 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.571 Ave N Shift Values>> N :: 123.23(3.54) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 174.031 CA :: 63.660 CB :: 38.304 CG1 :: 26.934 CG2 :: 19.455 CD1 :: 15.440 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 :: 8.474 HA :: 4.025 HB :: 2.290 HG12 :: 1.267 HG13 :: 1.028 HG21 :: 0.867 HG22 :: 0.867 HG23 :: 0.867 HD11 :: 0.791 HD12 :: 0.791 HD13 :: 0.791 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 :: 113.867 Ave N Shift Values>> N :: 121.46(4.28) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.12 C 0.09 Y 0.04 F 0.04 L 0.02 M 0.01 C Shift Assignments>> C :: 174.682 CA :: 52.296 CB :: 38.387 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.906 HA :: 5.013 HB2 :: 3.308 HB3 :: 2.394 HD21 :: 6.848 HD22 :: 7.773 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 116.934 ND2 :: 113.226 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.22 C 0.07 L 0.05 F 0.04 Y 0.04 C Shift Assignments>> C :: 175.217 CA :: 52.003 CB :: 39.364 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.892 HA :: 5.082 HB2 :: 2.488 HB3 :: 3.201 HD21 :: 7.187 HD22 :: 8.059 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 :: 119.089 ND2 :: 112.715 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 176.169 CA :: 66.943 CB :: 68.507 CG2 :: 22.695 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 :: 9.264 HA :: 3.782 HB :: 4.165 HG21 :: 1.318 HG22 :: 1.318 HG23 :: 1.318 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 124.579 Ave N Shift Values>> N :: 115.42(4.75) 1.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.35 R 0.2 G 0.01 C Shift Assignments>> C :: 178.161 CA :: 59.539 CB :: 31.423 CG :: 24.912 CD :: 28.656 CE :: 42.436 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 :: 8.476 HA :: 4.176 HB2 :: 1.958 HB3 :: 2.054 HG2 :: 1.545 HG3 :: 1.545 HD2 :: 1.821 HD3 :: 1.691 HE2 :: 3.076 HE3 :: 3.076 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.234 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.777 CA :: 61.664 CB :: 63.784 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.011 HA :: 4.220 HB2 :: 4.064 HB3 :: 4.495 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 :: 114.325 Ave N Shift Values>> N :: 116.28(3.52) 1.F90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.55 Y 0.22 C 0.21 C Shift Assignments>> C :: 177.346 CA :: 59.968 CB :: 40.268 CD1 :: 131.544 CE1 :: 130.381 CZ :: 128.949 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.449 HA :: 4.055 HB2 :: 2.720 HB3 :: 3.263 HD1 :: 6.000(S) HD2 :: 6.000(S) HE1 :: 6.779 HE2 :: 6.779 HZ :: 6.745 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 :: 124.783 Ave N Shift Values>> N :: 120.45(4.18) 1.E91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.34 I 0.19 K 0.06 Q 0.02 M 0.01 C Shift Assignments>> C :: 179.418 CA :: 59.156 CB :: 29.212 CG :: 36.513 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 :: 8.486 HA :: 3.813 HB2 :: 2.120 HB3 :: 2.248 HG2 :: 2.546 HG3 :: 2.325 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.774 Ave N Shift Values>> N :: 120.67(3.48) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 D 0.2 K 0.16 F 0.15 Y 0.12 C 0.07 N 0.03 R 0.02 I 0.01 C Shift Assignments>> C :: 177.911 CA :: 55.978 CB :: 41.199 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 :: 8.463 HA :: 4.543 HB2 :: 2.899 HB3 :: 2.899 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.703 Ave N Shift Values>> N :: 120.65(3.86) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 I 0.13 C Shift Assignments>> C :: 177.844 CA :: 62.752 CB :: 34.451 CG1 :: 26.672 CG2 :: 17.363 CD1 :: 9.469 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 :: 7.661 HA :: 3.941 HB :: 2.216 HG12 :: 2.231 HG13 :: 1.392 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 HD11 :: 0.815 HD12 :: 0.815 HD13 :: 0.815 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 :: 121.273 Ave N Shift Values>> N :: 121.46(4.28) 1.H94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 H 0.47 HN Overlap>> 1.K104 1.D154 1.K104 1.D154 C Shift Assignments>> C :: 177.020 CA :: 59.456 CB :: 28.925 CD2 :: 120.180 CE1 :: 137.490 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 :: 8.097 HA :: 4.293 HB2 :: 3.132 HB3 :: 3.255 HD2 :: 7.247 HE1 :: 8.171 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.152 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.H95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.51 C 0.48 HN Overlap>> 1.Q129 1.Q129 C Shift Assignments>> C :: 177.850 CA :: 58.072 CB :: 28.164 CD2 :: 119.508 CE1 :: 137.412 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.331 HA :: 4.300 HB2 :: 3.034 HB3 :: 3.034 HD2 :: 6.502 HE1 :: 8.252 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 :: 117.175 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Y96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 177.569 CA :: 63.007 CB :: 37.813 CD1 :: 132.479 CE1 :: 118.581 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.645 HA :: 3.980 HB2 :: 2.882 HB3 :: 2.882 HD1 :: 7.078 HD2 :: 7.078 HE1 :: 6.887 HE2 :: 6.887 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.931 Ave N Shift Values>> N :: 120.52(4.2) 1.R97 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.51 R 0.38 G 0.04 K 0.03 L 0.01 HN Overlap>> 1.M72 1.M72 C Shift Assignments>> C :: 177.487 CA :: 59.998 CB :: 29.011 CG :: 27.672 CD :: 42.905 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 :: 8.396 HA :: 3.604 HB2 :: 1.381 HB3 :: 1.774 HG2 :: 1.095 HG3 :: 1.145 HD2 :: 2.024(S) HD3 :: 2.231(S) HE :: 7.089 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.465 NE :: 85.264 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.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.34 I 0.15 K 0.08 Q 0.04 M 0.01 HN Overlap>> 1.K165 1.K165 C Shift Assignments>> C :: 178.929 CA :: 59.078 CB :: 29.169 CG :: 36.175 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 :: 7.827 HA :: 3.807 HB2 :: 2.012 HB3 :: 2.012 HG2 :: 2.246 HG3 :: 2.205 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.128 Ave N Shift Values>> N :: 120.67(3.48) 1.Q99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.26 Q 0.24 R 0.07 E 0.03 M 0.02 I 0.01 C Shift Assignments>> C :: 177.724 CA :: 58.948 CB :: 28.496 CG :: 33.490 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 :: 7.850 HA :: 3.909 HB2 :: 2.005 HB3 :: 2.005 HG2 :: 2.168 HG3 :: 2.278 HE21 :: 7.223 HE22 :: 6.673 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 :: 119.739 NE2 :: 110.741 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I100 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.81 C 0.18 HN Overlap>> 1.K167 1.K167 C Shift Assignments>> C :: 177.177 CA :: 65.610 CB :: 37.963 CG1 :: 29.680 CG2 :: 18.035 CD1 :: 15.597 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 :: 7.958 HA :: 3.154 HB :: 1.388 HG12 :: -0.110(S) HG13 :: 1.571 HG21 :: -0.034 HG22 :: -0.034 HG23 :: -0.034 HD11 :: 0.359 HD12 :: 0.359 HD13 :: 0.359 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 :: 119.838 Ave N Shift Values>> N :: 121.46(4.28) 1.K101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.44 R 0.04 C Shift Assignments>> C :: 179.321 CA :: 59.741 CB :: 32.307 CG :: 24.973 CD :: 29.805 CE :: 41.660 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 :: 7.738 HA :: 3.927 HB2 :: 1.685 HB3 :: 1.773 HG2 :: 1.346 HG3 :: 1.346 HD2 :: 1.525 HD3 :: 1.549 HE2 :: 2.831 HE3 :: 2.831 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 :: 117.355 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.45 G 0.05 K 0.03 C Shift Assignments>> C :: 179.552 CA :: 58.996 CB :: 30.122 CG :: 27.118 CD :: 43.265 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.716 HA :: 4.091 HB2 :: 1.937 HB3 :: 1.877 HG2 :: 1.545 HG3 :: 1.663 HD2 :: 3.175 HD3 :: 3.241 HE :: 7.309 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 :: 117.820 NE :: 83.410 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.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 C 0.11 C Shift Assignments>> C :: 177.860 CA :: 65.353 CB :: 31.761 CG1 :: 22.349 CG2 :: 21.641 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 :: 8.221 HA :: 3.840 HB :: 2.046 HG11 :: 1.040 HG12 :: 1.040 HG13 :: 1.040 HG21 :: 0.940 HG22 :: 0.940 HG23 :: 0.940 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.039 Ave N Shift Values>> N :: 121.14(4.54) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 C 0.3 K 0.3 HN Overlap>> 1.D154 1.H94 1.D154 1.H94 C Shift Assignments>> C :: 175.949 CA :: 54.745 CB :: 30.839 CG :: 24.213 CD :: 27.650 CE :: 42.056 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 :: 8.066 HA :: 4.285 HB2 :: 1.861 HB3 :: 1.861 HG2 :: 1.589 HG3 :: 1.422 HD2 :: 1.917 HD3 :: 1.835 HE2 :: 3.220 HE3 :: 3.265 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.211 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 N 0.23 F 0.13 Y 0.12 L 0.12 C 0.08 C Shift Assignments>> C :: 174.636 CA :: 54.614 CB :: 39.780 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 :: 7.954 HA :: 4.325 HB2 :: 3.113 HB3 :: 2.360 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.862 Ave N Shift Values>> N :: 120.65(3.86) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.360 CA :: 57.098 CB :: 65.143 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.574 HA :: 4.546 HB2 :: 3.233 HB3 :: 3.802 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 :: 109.128 Ave N Shift Values>> N :: 116.28(3.52) 1.E107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.13 Q 0.05 K 0.04 I 0.01 C Shift Assignments>> C :: 176.222 CA :: 56.381 CB :: 30.514 CG :: 36.238 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 :: 8.432 HA :: 4.274 HB2 :: 1.886 HB3 :: 2.169 HG2 :: 2.208 HG3 :: 2.325 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.328 Ave N Shift Values>> N :: 120.67(3.48) 1.D108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 L 0.2 N 0.17 K 0.06 F 0.06 C 0.05 Y 0.04 C Shift Assignments>> C :: 174.258 CA :: 53.055 CB :: 41.124 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 :: 8.444 HA :: 4.863 HB2 :: 2.537 HB3 :: 2.760 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 :: 121.138 Ave N Shift Values>> N :: 120.65(3.86) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 V 0.38 C Shift Assignments>> C :: 174.002 CA :: 58.968 CB :: 34.803 CG1 :: 21.599 CG2 :: 21.202 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 :: 7.627 HA :: 4.266 HB :: 1.702 HG11 :: 0.743 HG12 :: 0.743 HG13 :: 0.743 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 122.092 Ave N Shift Values>> N :: 121.14(4.54) 1.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 175.967 CA :: 63.692 CB :: 32.287 CG :: 28.651 CD :: 51.100 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 :: 4.459 HB2 :: 1.826 HB3 :: 2.125 HG2 :: 2.228 HG3 :: 1.506 HD2 :: 3.572 HD3 :: 3.781 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.M111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 A 0.31 M 0.18 C Shift Assignments>> C :: 173.674 CA :: 55.088 CB :: 37.986 CG :: 32.698 CE :: 17.353 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 :: 8.315 HA :: 5.755 HB2 :: 2.099 HB3 :: 2.119 HG2 :: 2.607 HG3 :: 2.695 HE1 :: 1.858 HE2 :: 1.858 HE3 :: 1.858 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.023 Ave N Shift Values>> N :: 120.09(3.57) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.82 V 0.17 C Shift Assignments>> C :: 173.332 CA :: 60.986 CB :: 37.243 CG1 :: 21.177 CG2 :: 22.706 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 :: 8.112 HA :: 4.337 HB :: 1.756 HG11 :: 0.748 HG12 :: 0.748 HG13 :: 0.748 HG21 :: 0.783 HG22 :: 0.783 HG23 :: 0.783 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 117.896 Ave N Shift Values>> N :: 121.14(4.54) 1.L113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.26 R 0.26 C 0.25 L 0.2 C Shift Assignments>> C :: 173.758 CA :: 53.911 CB :: 44.045 CG :: 28.044 CD1 :: 25.402 CD2 :: 27.262 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 :: 8.968 HA :: 5.163 HB2 :: 2.491 HB3 :: 1.476 HG :: 2.050 HD11 :: 1.339 HD12 :: 1.339 HD13 :: 1.339 HD21 :: 1.068 HD22 :: 1.068 HD23 :: 1.068 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 :: 128.709 Ave N Shift Values>> N :: 121.86(3.9) 1.V114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 V 0.2 C Shift Assignments>> C :: 173.933 CA :: 60.037 CB :: 35.255 CG1 :: 23.073 CG2 :: 23.404 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 :: 9.191 HA :: 5.106 HB :: 1.692 HG11 :: 0.609 HG12 :: 0.609 HG13 :: 0.609 HG21 :: 0.699 HG22 :: 0.699 HG23 :: 0.699 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.871 Ave N Shift Values>> N :: 121.14(4.54) 1.G115 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 171.279 CA :: 45.599 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.209 HA2 :: 2.414(S) HA3 :: 2.899 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.453 Ave N Shift Values>> N :: 109.67(3.87) 1.N116 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> D 0.38 N 0.22 L 0.18 C 0.05 K 0.05 F 0.04 Y 0.02 R 0.01 HN Overlap>> 1.A83 1.A83 C Shift Assignments>> C :: 174.577 CA :: 51.617 CB :: 41.299 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 :: 8.859 HA :: 5.632 HB2 :: 2.182 HB3 :: 2.543 HD21 :: 8.842 HD22 :: 7.454 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.667 ND2 :: 120.160(S) Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.18 Q 0.18 H 0.17 C 0.16 R 0.15 M 0.05 K 0.03 I 0.03 C Shift Assignments>> C :: 177.067 CA :: 57.358 CB :: 29.542 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 :: 7.349 HA :: 4.290 HB2 :: 1.647 HB3 :: 2.395 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 :: 112.175 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.315 CA :: 60.951 CB :: 63.151 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.896 HA :: 4.006 HB2 :: 3.653 HB3 :: 3.881 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 112.811 Ave N Shift Values>> N :: 116.28(3.52) 1.D119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.25 K 0.14 N 0.07 F 0.07 Y 0.05 C 0.04 R 0.04 C Shift Assignments>> C :: 175.718 CA :: 53.968 CB :: 41.654 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.548 HA :: 4.444 HB2 :: 2.592 HB3 :: 2.592 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.116 Ave N Shift Values>> N :: 120.65(3.86) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.23 A 0.2 R 0.07 C Shift Assignments>> C :: 176.341 CA :: 53.096 CB :: 41.826 CG :: 26.402 CD1 :: 27.211 CD2 :: 22.390 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 :: 7.793 HA :: 4.507 HB2 :: 1.948 HB3 :: 1.431 HG :: 1.730 HD11 :: 0.892 HD12 :: 0.892 HD13 :: 0.892 HD21 :: 0.923 HD22 :: 0.923 HD23 :: 0.923 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 :: 121.537 Ave N Shift Values>> N :: 121.86(3.9) 1.P121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 177.112 CA :: 63.336 CB :: 31.766 CG :: 26.881 CD :: 50.426 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 :: 4.590 HB2 :: 2.115 HB3 :: 2.264 HG2 :: 2.129 HG3 :: 1.985 HD2 :: 3.833 HD3 :: 3.894 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.S122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.714 CA :: 56.392 CB :: 62.381 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.303 HA :: 4.531 HB2 :: 3.806 HB3 :: 3.988 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 :: 113.307 Ave N Shift Values>> N :: 116.28(3.52) 1.R123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.35 G 0.2 K 0.01 C Shift Assignments>> C :: 176.084 CA :: 56.096 CB :: 32.476 CG :: 26.967 CD :: 44.179 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.755 HA :: 4.048 HB2 :: 1.659 HB3 :: 1.890 HG2 :: 1.468 HG3 :: 1.435 HD2 :: 3.120 HD3 :: 3.468 HE :: 7.200 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.094 NE :: 83.068 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.T124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 174.341 CA :: 61.735 CB :: 69.383 CG2 :: 22.323 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 :: 9.112 HA :: 4.531 HB :: 4.258 HG21 :: 1.138 HG22 :: 1.138 HG23 :: 1.138 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 114.313 Ave N Shift Values>> N :: 115.42(4.75) 1.V125 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.53 V 0.46 C Shift Assignments>> C :: 175.076 CA :: 61.455 CB :: 33.304 CG1 :: 19.346 CG2 :: 20.295 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 :: 7.584 HA :: 3.973 HB :: 1.809 HG11 :: -0.125(S) HG12 :: -0.125(S) HG13 :: -0.125(S) HG21 :: 0.703 HG22 :: 0.703 HG23 :: 0.703 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 124.280 Ave N Shift Values>> N :: 121.14(4.54) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.24 K 0.15 R 0.1 F 0.06 C 0.04 Y 0.04 N 0.03 C Shift Assignments>> C :: 176.736 CA :: 54.228 CB :: 42.212 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 :: 8.608 HA :: 4.549 HB2 :: 2.664 HB3 :: 2.664 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 :: 128.356 Ave N Shift Values>> N :: 120.65(3.86) 1.T127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.817 CA :: 67.121 CB :: 69.064 CG2 :: 22.334 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 :: 8.777 HA :: 3.801 HB :: 4.030 HG21 :: 1.349 HG22 :: 1.349 HG23 :: 1.349 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 :: 121.766 Ave N Shift Values>> N :: 115.42(4.75) 1.K128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.4 R 0.14 HN Overlap>> 1.D132 1.D132 C Shift Assignments>> C :: 178.420 CA :: 59.480 CB :: 32.009 CG :: 24.972 CD :: 28.807 CE :: 42.270 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 :: 8.455 HA :: 4.021 HB2 :: 1.805 HB3 :: 1.805 HG2 :: 1.396 HG3 :: 1.434 HD2 :: 1.620 HD3 :: 1.708 HE2 :: 3.006 HE3 :: 3.006 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 120.404 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.22 K 0.21 E 0.16 I 0.04 R 0.02 M 0.01 HN Overlap>> 1.H95 1.H95 C Shift Assignments>> C :: 179.325 CA :: 58.607 CB :: 28.819 CG :: 34.607 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 :: 7.280 HA :: 4.060 HB2 :: 1.918 HB3 :: 2.034 HG2 :: 2.293 HG3 :: 2.368 HE21 :: 6.911 HE22 :: 7.574 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 :: 117.235 NE2 :: 111.447 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.A130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 M 0.39 C 0.03 I 0.02 C Shift Assignments>> C :: 178.086 CA :: 54.949 CB :: 18.782 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.078 HA :: 3.872 HB1 :: 0.700 HB2 :: 0.700 HB3 :: 0.700 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.686 Ave N Shift Values>> N :: 123.23(3.54) 1.Q131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.21 K 0.2 E 0.14 I 0.05 R 0.02 C Shift Assignments>> C :: 179.484 CA :: 59.007 CB :: 28.582 CG :: 34.619 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 :: 8.424 HA :: 3.724 HB2 :: 2.233 HB3 :: 2.018 HG2 :: 2.518 HG3 :: 2.518 HE21 :: 7.552 HE22 :: 6.960 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 :: 117.822 NE2 :: 111.742 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.27 C 0.13 D 0.1 L 0.09 I 0.06 N 0.03 K 0.01 HN Overlap>> 1.K128 1.K128 C Shift Assignments>> C :: 178.943 CA :: 57.277 CB :: 39.806 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 :: 8.488 HA :: 4.353 HB2 :: 2.562 HB3 :: 2.751 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.337 Ave N Shift Values>> N :: 120.65(3.86) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.41 R 0.04 C Shift Assignments>> C :: 179.016 CA :: 57.828 CB :: 41.716 CG :: 26.607 CD1 :: 26.185 CD2 :: 22.873 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 :: 7.569 HA :: 3.868 HB2 :: 1.753 HB3 :: 1.449 HG :: 0.832 HD11 :: 0.424 HD12 :: 0.424 HD13 :: 0.424 HD21 :: 0.463 HD22 :: 0.463 HD23 :: 0.463 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.528 Ave N Shift Values>> N :: 121.86(3.9) 1.A134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.28 I 0.07 C 0.03 C Shift Assignments>> C :: 179.913 CA :: 55.915 CB :: 18.312 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.263 HA :: 3.794 HB1 :: 1.742 HB2 :: 1.742 HB3 :: 1.742 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.621 Ave N Shift Values>> N :: 123.23(3.54) 1.R135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.41 G 0.07 K 0.04 C Shift Assignments>> C :: 180.071 CA :: 59.471 CB :: 29.822 CG :: 27.834 CD :: 43.343 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 :: 8.473 HA :: 4.184 HB2 :: 1.957 HB3 :: 2.016 HG2 :: 1.660 HG3 :: 1.803 HD2 :: 3.271 HD3 :: 3.271 HE :: 7.258 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.251 NE :: 84.276 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.S136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.143 CA :: 61.572 CB :: 62.610 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.966 HA :: 4.258 HB2 :: 3.925 HB3 :: 3.925 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.598 Ave N Shift Values>> N :: 116.28(3.52) 1.Y137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 Y 0.33 HN Overlap>> 1.V160 1.V160 C Shift Assignments>> C :: 176.261 CA :: 54.789 CB :: 38.869 CD1 :: 130.255 CE1 :: 118.153 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 7.583 HA :: 4.926 HB2 :: 3.076 HB3 :: 3.269 HD1 :: 6.801 HD2 :: 6.801 HE1 :: 6.593 HE2 :: 6.593 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.758 Ave N Shift Values>> N :: 120.52(4.2) 1.G138 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 :: 175.221 CA :: 46.523 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.301 HA2 :: 4.175 HA3 :: 4.014 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.051 Ave N Shift Values>> N :: 109.67(3.87) 1.I139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 I 0.19 A 0.02 C Shift Assignments>> C :: 172.911 CA :: 58.471 CB :: 38.557 CG1 :: 23.770 CG2 :: 18.032 CD1 :: 15.195 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 :: 8.048 HA :: 5.235 HB :: 2.442 HG12 :: 1.413 HG13 :: 1.691 HG21 :: 0.977 HG22 :: 0.977 HG23 :: 0.977 HD11 :: 0.888 HD12 :: 0.888 HD13 :: 0.888 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 112.908 Ave N Shift Values>> N :: 121.46(4.28) 1.P140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.55 C 0.44 C Shift Assignments>> C :: 174.630 CA :: 62.323 CB :: 33.147 CG :: 28.193 CD :: 50.818 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 :: 4.656 HB2 :: 2.533 HB3 :: 1.669 HG2 :: 1.957 HG3 :: 1.783 HD2 :: 3.974 HD3 :: 4.068 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.F141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.55 Y 0.28 C 0.13 G 0.02 C Shift Assignments>> C :: 173.831 CA :: 54.831 CB :: 42.423 CD1 :: 131.842 CE1 :: 131.193 CZ :: 130.127 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.302 HA :: 6.109 HB2 :: 2.788 HB3 :: 3.099 HD1 :: 7.168 HD2 :: 7.168 HE1 :: 7.287 HE2 :: 7.287 HZ :: 7.441 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.115 Ave N Shift Values>> N :: 120.45(4.18) 1.I142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.35 G 0.03 C Shift Assignments>> C :: 172.742 CA :: 59.441 CB :: 42.596 CG1 :: 28.490 CG2 :: 17.409 CD1 :: 13.987 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 :: 8.357 HA :: 3.865 HB :: 1.330 HG12 :: 1.024 HG13 :: 1.253 HG21 :: 0.646 HG22 :: 0.646 HG23 :: 0.646 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 129.684 Ave N Shift Values>> N :: 121.46(4.28) 1.E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.79 E 0.1 M 0.07 I 0.02 C Shift Assignments>> C :: 176.603 CA :: 55.268 CB :: 31.158 CG :: 38.846 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 :: 7.898 HA :: 4.836 HB2 :: 1.744 HB3 :: 1.873 HG2 :: 2.123 HG3 :: 2.280 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.992 Ave N Shift Values>> N :: 120.67(3.48) 1.T144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 T 0.27 C Shift Assignments>> C :: 175.779 CA :: 59.795 CB :: 73.675 CG2 :: 22.040 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 :: 8.910 HA :: 5.030 HB :: 3.916 HG21 :: 0.668 HG22 :: 0.668 HG23 :: 0.668 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 :: 113.646 Ave N Shift Values>> N :: 115.42(4.75) 1.S145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.703 CA :: 57.556 CB :: 64.382 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.665 HA :: 4.871 HB2 :: 3.995 HB3 :: 3.995 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 111.866 Ave N Shift Values>> N :: 116.28(3.52) 1.A146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.58 M 0.36 C 0.02 I 0.01 C Shift Assignments>> C :: 175.852 CA :: 54.525 CB :: 18.614 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.166 HA :: 3.898 HB1 :: 1.573 HB2 :: 1.573 HB3 :: 1.573 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.234 Ave N Shift Values>> N :: 123.23(3.54) 1.K147 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 C Shift Assignments>> C :: 177.030 CA :: 58.325 CB :: 33.859 CG :: 24.752 CD :: 29.678 CE :: 42.137 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 :: 7.080 HA :: 2.590(S) HB2 :: 0.391(S) HB3 :: 1.071 HG2 :: 0.434(S) HG3 :: 0.676 HD2 :: 1.210 HD3 :: 1.338 HE2 :: 2.733 HE3 :: 2.785 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.257 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HA > HE2 : 0.9935) (HA > HE3 : 0.9935) 1.T148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 175.766 CA :: 61.427 CB :: 69.643 CG2 :: 21.243 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 :: 7.733 HA :: 4.136 HB :: 4.425 HG21 :: 1.049 HG22 :: 1.049 HG23 :: 1.049 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 :: 106.364 Ave N Shift Values>> N :: 115.42(4.75) 1.R149 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 K 0.15 G 0.09 C Shift Assignments>> C :: 175.793 CA :: 58.937 CB :: 30.598 CG :: 32.619(S) CD :: 43.292 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.787 HA :: 3.475 HB2 :: 1.671 HB3 :: 2.218 HG2 :: 1.166 HG3 :: 1.935 HD2 :: 3.118 HD3 :: 3.118 HE :: 6.896 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.471 NE :: 85.118 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.Q150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.28 Q 0.27 C 0.27 R 0.06 M 0.05 E 0.03 C Shift Assignments>> C :: 177.036 CA :: 57.434 CB :: 28.943 CG :: 33.357 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 :: 7.819 HA :: 4.100 HB2 :: 1.929 HB3 :: 1.752 HG2 :: 2.192 HG3 :: 2.306 HE21 :: 7.342 HE22 :: 6.927 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 :: 123.993 NE2 :: 112.464 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 C 0.05 L 0.05 C Shift Assignments>> C :: 173.456 CA :: 46.791 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.909 HA2 :: 3.804 HA3 :: 4.058 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 115.089 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 0.88 C 0.11 C Shift Assignments>> C :: 176.649 CA :: 68.243 CB :: 31.622 CG1 :: 20.933 CG2 :: 24.145 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 :: 7.063 HA :: 3.207 HB :: 1.803 HG11 :: 0.929 HG12 :: 0.929 HG13 :: 0.929 HG21 :: 0.766 HG22 :: 0.766 HG23 :: 0.766 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.319 Ave N Shift Values>> N :: 121.14(4.54) 1.D153 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.29 F 0.28 C 0.15 I 0.09 D 0.07 L 0.05 N 0.02 HN Overlap>> 1.M67 1.M67 C Shift Assignments>> C :: 177.232 CA :: 57.542 CB :: 39.327 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 :: 7.990 HA :: 3.849 HB2 :: 1.846(S) HB3 :: 2.204 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 :: 117.260 Ave N Shift Values>> N :: 120.65(3.86) 1.D154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.24 D 0.12 C 0.11 L 0.11 I 0.05 K 0.03 N 0.02 HN Overlap>> 1.K104 1.K104 1.H94 1.H94 C Shift Assignments>> C :: 179.404 CA :: 57.221 CB :: 40.229 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 :: 8.049 HA :: 4.143 HB2 :: 2.428 HB3 :: 2.481 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.213 Ave N Shift Values>> N :: 120.65(3.86) 1.A155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.72 A 0.13 I 0.1 C 0.02 C Shift Assignments>> C :: 177.852 CA :: 56.344 CB :: 17.383 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.565 HA :: 3.722 HB1 :: 1.111 HB2 :: 1.111 HB3 :: 1.111 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.677 Ave N Shift Values>> N :: 123.23(3.54) 1.F156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.42 F 0.38 C 0.19 C Shift Assignments>> C :: 178.173 CA :: 62.900 CB :: 39.364 CD2 :: 132.363 CE2 :: 131.174 CZ :: 129.356 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 7.237 HA :: 3.926 HB2 :: 2.652 HB3 :: 2.845 HD1 :: 7.377 HD2 :: 7.377 HE1 :: 6.931 HE2 :: 6.931 HZ :: 6.954 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 :: 112.867 Ave N Shift Values>> N :: 120.45(4.18) 1.Y157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 Y 0.21 H 0.07 C Shift Assignments>> C :: 179.064 CA :: 58.667 CB :: 35.505 CD1 :: 131.155 CE1 :: 117.546 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 :: 9.553 HA :: 4.305 HB2 :: 2.931 HB3 :: 3.286 HD1 :: 6.910 HD2 :: 6.910 HE1 :: 6.676 HE2 :: 6.676 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 119.696 Ave N Shift Values>> N :: 120.52(4.2) 1.T158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 175.744 CA :: 67.609 CB :: 67.902 CG2 :: 21.474 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 :: 8.598 HA :: 3.890 HB :: 4.230 HG21 :: 1.204 HG22 :: 1.204 HG23 :: 1.204 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 :: 116.539 Ave N Shift Values>> N :: 115.42(4.75) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.76 L 0.21 A 0.02 C Shift Assignments>> C :: 177.743 CA :: 57.915 CB :: 40.195 CG :: 26.462 CD1 :: 27.425 CD2 :: 21.665 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 :: 7.294 HA :: 3.888 HB2 :: 1.241 HB3 :: 2.131 HG :: 1.387 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 HD21 :: 0.826 HD22 :: 0.826 HD23 :: 0.826 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 :: 121.916 Ave N Shift Values>> N :: 121.86(3.9) 1.V160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 HN Overlap>> 1.Y137 1.Y137 C Shift Assignments>> C :: 177.582 CA :: 67.614 CB :: 30.811 CG1 :: 19.849 CG2 :: 23.950 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 :: 7.671 HA :: 3.054 HB :: 2.058 HG11 :: 0.078 HG12 :: 0.078 HG13 :: 0.078 HG21 :: 0.704 HG22 :: 0.704 HG23 :: 0.704 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.745 Ave N Shift Values>> N :: 121.14(4.54) 1.R161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 G 0.22 R 0.14 K 0.01 HN Overlap>> 1.D69 1.D69 1.Y71 1.Y71 C Shift Assignments>> C :: 179.618 CA :: 60.905 CB :: 29.515 CG :: 29.120 CD :: 43.775 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 :: 8.121 HA :: 3.784 HB2 :: 1.869 HB3 :: 2.069 HG2 :: 1.551 HG3 :: 1.793 HD2 :: 3.142 HD3 :: 3.142 HE :: 8.943 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.752 NE :: 88.470 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.E162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.37 I 0.12 M 0.03 K 0.02 Q 0.01 C Shift Assignments>> C :: 179.784 CA :: 58.977 CB :: 30.188 CG :: 36.866 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 :: 8.279 HA :: 4.104 HB2 :: 2.428 HB3 :: 2.242 HG2 :: 2.160 HG3 :: 2.506 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 :: 119.168 Ave N Shift Values>> N :: 120.67(3.48) 1.I163 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 C Shift Assignments>> C :: 178.735 CA :: 66.355 CB :: 38.075 CG1 :: 28.442 CG2 :: 18.076 CD1 :: 15.732 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 :: 8.401 HA :: 3.634 HB :: 1.994 HG12 :: 0.851 HG13 :: 1.825 HG21 :: 1.080 HG22 :: 1.080 HG23 :: 1.080 HD11 :: 0.646 HD12 :: 0.646 HD13 :: 0.646 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 :: 123.181 Ave N Shift Values>> N :: 121.46(4.28) 1.R164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 G 0.35 R 0.16 C Shift Assignments>> C :: 178.951 CA :: 60.186 CB :: 30.644 CG :: 27.497 CD :: 44.654 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 :: 8.628 HA :: 4.013 HB2 :: 1.991 HB3 :: 1.936 HG2 :: 1.845 HG3 :: 1.845 HD2 :: 3.116 HD3 :: 3.051 HE :: 6.781 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.684 NE :: 84.464 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.K165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.44 R 0.08 HN Overlap>> 1.E98 1.E98 C Shift Assignments>> C :: 178.262 CA :: 58.923 CB :: 32.728 CG :: 25.059 CD :: 29.636 CE :: 42.004 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 :: 7.843 HA :: 4.122 HB2 :: 1.897 HB3 :: 1.931 HG2 :: 1.590 HG3 :: 1.590 HD2 :: 1.708 HD3 :: 1.708 HE2 :: 2.923 HE3 :: 2.923 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.120 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.53 C 0.46 C Shift Assignments>> C :: 175.520 CA :: 57.615 CB :: 29.063 CD2 :: 120.701 CE1 :: 137.088 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 7.817 HA :: 4.516 HB2 :: 3.617 HB3 :: 3.313 HD2 :: 7.490 HE1 :: 8.678 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 116.659 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.41 R 0.13 HN Overlap>> 1.I100 1.I100 C Shift Assignments>> C :: 176.855 CA :: 57.371 CB :: 33.333 CG :: 25.232 CD :: 29.503 CE :: 42.074 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 :: 7.980 HA :: 4.325 HB2 :: 1.956 HB3 :: 2.002 HG2 :: 1.736 HG3 :: 1.568 HD2 :: 1.782 HD3 :: 1.749 HE2 :: 2.999 HE3 :: 2.999 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 :: 119.817 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.33 M 0.08 K 0.07 Q 0.06 I 0.03 C Shift Assignments>> C :: 175.610 CA :: 56.669 CB :: 30.089 CG :: 36.181 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 :: 7.989 HA :: 4.316 HB2 :: 2.020 HB3 :: 2.154 HG2 :: 2.436 HG3 :: 2.333 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 :: 120.445 Ave N Shift Values>> N :: 120.67(3.48) 1.K169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.45 R 0.08 C Shift Assignments>> C :: 181.362 CA :: 57.952 CB :: 33.598 CG :: 24.825 CD :: 29.281 CE :: 42.145 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 :: 7.715 HA :: 4.146 HB2 :: 1.762 HB3 :: 1.846 HG2 :: 1.445 HG3 :: 1.445 HD2 :: 1.446 HD3 :: 1.691 HE2 :: 3.004 HE3 :: 3.004 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 126.605 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.GNP1 Overall Status: Residue type GNP not supported. 3.MG1 Overall Status: Residue type MG not supported. ########################################################################### Overall Results: #Consistent: 158 #Clerical: 0 #Suspicious: 11 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 168 #Suspicious: 1 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 168 #Suspicious: 1 C Shift Results: #Consistent: 728 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1182 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 0 N Shift Results: #Consistent: 187 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.L23 HD11 = -0.230(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.6526e-04 1.L23 HD12 = -0.230(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.6526e-04 1.L23 HD13 = -0.230(S), Expected = 0.75, Std = 0.2800, ChiSquare = 4.6526e-04 1.I46 HG12 = -0.322(S), Expected = 1.28, Std = 0.4000, ChiSquare = 6.2017e-05 1.F90 HD1 = 6.000(S), Expected = 7.06, Std = 0.3100, ChiSquare = 6.2770e-04 1.F90 HD2 = 6.000(S), Expected = 7.06, Std = 0.3100, ChiSquare = 6.2770e-04 1.R97 HD2 = 2.024(S), Expected = 3.12, Std = 0.2400, ChiSquare = 4.9554e-06 1.R97 HD3 = 2.231(S), Expected = 3.10, Std = 0.2600, ChiSquare = 8.3085e-04 1.I100 HG12 = -0.110(S), Expected = 1.28, Std = 0.4000, ChiSquare = 5.1085e-04 1.G115 HA2 = 2.414(S), Expected = 3.97, Std = 0.3700, ChiSquare = 2.6061e-05 1.N116 ND2 = 120.160(S), Expected = 112.75, Std = 2.2300, ChiSquare = 8.9096e-04 1.V125 HG11 = -0.125(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.3965e-04 1.V125 HG12 = -0.125(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.3965e-04 1.V125 HG13 = -0.125(S), Expected = 0.83, Std = 0.2600, ChiSquare = 2.3965e-04 1.K147 HA = 2.590(S), Expected = 4.27, Std = 0.4400, ChiSquare = 1.3444e-04 1.K147 HB2 = 0.391(S), Expected = 1.78, Std = 0.2500, ChiSquare = 2.7603e-08 1.K147 HG2 = 0.434(S), Expected = 1.37, Std = 0.2600, ChiSquare = 3.1822e-04 1.K147 SRO Rule Break>> HA > HE2 : 0.99351606248158 1.K147 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.R149 Typing: Suspicious 1.R149 CG = 32.619(S), Expected = 27.21, Std = 1.2000, ChiSquare = 6.5596e-06 1.D153 HB2 = 1.846(S), Expected = 2.72, Std = 0.2600, ChiSquare = 7.7510e-04