Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.09 C 0.02 R 0.01 HN Overlap>> 1.G5 1.G5 C Shift Assignments>> C :: 173.957 CA :: 45.283 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.253 HA2 :: 3.943 HA3 :: 3.846 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.961 Ave N Shift Values>> N :: 109.67(3.87) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.454 CA :: 58.280 CB :: 63.771 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.087 HA :: 4.456 HB2 :: 3.818 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 :: 116.003 Ave N Shift Values>> N :: 116.28(3.52) 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.31 K 0.1 Q 0.1 M 0.06 I 0.03 HN Overlap>> 1.N88 1.N88 C Shift Assignments>> C :: 176.358 CA :: 56.942 CB :: 29.857 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 :: 8.721 HA :: 4.210 HB2 :: 1.891 HB3 :: 1.813 HG2 :: 2.128 HG3 :: 2.066 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 :: 123.185 Ave N Shift Values>> N :: 120.67(3.48) 1.F4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 C 0.15 I 0.11 D 0.05 L 0.05 N 0.01 C Shift Assignments>> C :: 176.475 CA :: 58.010 CB :: 39.431 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 :: 8.328 HA :: 4.601 HB2 :: 3.162 HB3 :: 3.003 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 :: 121.000 Ave N Shift Values>> N :: 120.45(4.18) 1.G5 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 HN Overlap>> 1.G1 1.G1 C Shift Assignments>> C :: 174.318 CA :: 45.441 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.254 HA2 :: 3.933 HA3 :: 3.856 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.945 Ave N Shift Values>> N :: 109.67(3.87) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.083 CA :: 58.502 CB :: 63.780 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.146 HA :: 4.401 HB2 :: 3.858 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 115.649 Ave N Shift Values>> N :: 116.28(3.52) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.4 R 0.13 C Shift Assignments>> C :: 177.181 CA :: 56.892 CB :: 32.649 CG :: 24.740 CD :: 29.078 CE :: 42.189 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 :: 8.374 HA :: 4.242 HB2 :: 1.816 HB3 :: 1.748 HG2 :: 1.404 HD2 :: 1.654 HE2 :: 2.980 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 :: 123.174 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 R 0.01 C Shift Assignments>> C :: 174.167 CA :: 45.383 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.280 HA2 :: 3.733 HA3 :: 3.563 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.102 Ave N Shift Values>> N :: 109.67(3.87) 1.L9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 C 0.28 R 0.04 G 0.02 A 0.01 C Shift Assignments>> C :: 177.300 CA :: 55.334 CB :: 42.540 CG :: 27.067 CD1 :: 24.833 CD2 :: 23.447 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 :: 7.856 HA :: 4.291 HB2 :: 1.536 HB3 :: 1.413 HG :: 1.536 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 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 :: 121.037 Ave N Shift Values>> N :: 121.86(3.9) 1.T10 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 :: 174.279 CA :: 61.553 CB :: 69.704 CG2 :: 21.371 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 :: 8.088 HA :: 4.277 HB :: 4.140 HG21 :: 1.100 HG22 :: 1.100 HG23 :: 1.100 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.245 Ave N Shift Values>> N :: 115.42(4.75) 1.Y11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.2 D 0.19 N 0.12 C 0.11 L 0.11 I 0.02 C Shift Assignments>> C :: 176.423 CA :: 55.843 CB :: 39.615 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 :: 7.923 HA :: 4.787 HB2 :: 3.081 HB3 :: 2.851 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 :: 122.198 Ave N Shift Values>> N :: 120.52(4.2) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.88 C 0.11 C Shift Assignments>> C :: 174.027 CA :: 61.453 CB :: 70.133 CG2 :: 21.749 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 :: 8.460 HA :: 4.366 HB :: 4.207 HG21 :: 1.249 HG22 :: 1.249 HG23 :: 1.249 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 115.509 Ave N Shift Values>> N :: 115.42(4.75) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.642 CA :: 63.004 CB :: 32.132 CG1 :: 22.141 CG2 :: 20.999 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 :: 8.604 HA :: 4.280 HB :: 1.988 HG11 :: 1.054 HG12 :: 1.054 HG13 :: 1.054 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 :: 124.960 Ave N Shift Values>> N :: 121.14(4.54) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 N 0.12 F 0.1 K 0.08 Y 0.07 C 0.05 C Shift Assignments>> C :: 174.673 CA :: 54.305 CB :: 40.999 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.274 HA :: 4.592 HB2 :: 2.826 HB3 :: 2.172 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 :: 126.921 Ave N Shift Values>> N :: 120.17(4.64) 1.D15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.21 K 0.19 F 0.09 R 0.08 Y 0.06 C 0.05 N 0.02 HN Overlap>> 1.V56 1.V56 C Shift Assignments>> C :: 177.441 CA :: 55.164 CB :: 41.972 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 :: 7.941 HA :: 4.401 HB2 :: 2.839 HB3 :: 2.708 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 :: 120.457 Ave N Shift Values>> N :: 120.65(3.86) 1.K16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 K 0.45 R 0.05 C Shift Assignments>> C :: 177.559 CA :: 58.744 CB :: 32.536 CG :: 24.437 CD :: 29.505 CE :: 41.937 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 :: 8.304 HA :: 4.213 HB2 :: 2.000 HB3 :: 1.887 HG2 :: 1.547 HD2 :: 1.698 HE2 :: 3.005 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 :: 124.866 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T17 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 :: 176.851 CA :: 63.176 CB :: 70.406 CG2 :: 22.095 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 :: 9.014 HA :: 4.650 HB :: 4.474 HG21 :: 1.334 HG22 :: 1.334 HG23 :: 1.334 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 :: 111.536 Ave N Shift Values>> N :: 115.42(4.75) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.32 R 0.21 G 0.01 C Shift Assignments>> C :: 175.218 CA :: 55.485 CB :: 32.708 CG :: 24.966 CD :: 28.449 CE :: 42.286 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 6.876 HA :: 4.491 HB2 :: 1.771 HB3 :: 1.039 HG2 :: 0.952 HD2 :: 1.118 HE2 :: 2.757 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 :: 119.907 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 F 0.31 Y 0.24 G 0.01 C Shift Assignments>> C :: 175.474 CA :: 58.623 CB :: 41.878 CD1 :: 129.800 CD2 :: 129.800 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 :: 9.008 HA :: 5.573 HB2 :: 3.185 HB3 :: 2.727 HD1 :: 7.400 HD2 :: 7.400 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.103 Ave N Shift Values>> N :: 120.45(4.18) 1.T20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.54 C 0.45 C Shift Assignments>> C :: 174.626 CA :: 60.013 CB :: 72.208 CG2 :: 22.586 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 :: 8.235 HA :: 4.367 HB :: 4.017 HG21 :: 1.093 HG22 :: 1.093 HG23 :: 1.093 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 :: 110.222 Ave N Shift Values>> N :: 115.42(4.75) 1.W21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 H 0.13 Q 0.13 C 0.13 R 0.12 K 0.11 M 0.04 I 0.02 C Shift Assignments>> C :: 176.844 CA :: 57.453 CB :: 29.761 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.000 HA :: 4.915 HB2 :: 3.323 HB3 :: 2.900 HE1 :: 9.717 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 121.209 NE1 :: 128.136 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.44 R 0.1 C Shift Assignments>> C :: 177.134 CA :: 58.085 CB :: 33.322 CG :: 25.166 CD :: 29.241 CE :: 41.968 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 :: 8.758 HA :: 4.478 HB2 :: 1.609 HB3 :: 1.425 HG2 :: 1.296 HD2 :: 1.645 HE2 :: 2.941 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 :: 126.675 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 R 0.39 G 0.17 C Shift Assignments>> C :: 174.499 CA :: 56.228 CB :: 33.004 CG :: 26.915 CD :: 44.057 CZ :: 159.820 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 :: 8.803 HA :: 4.488 HB2 :: 1.754 HB3 :: 1.668 HG2 :: 1.656 HD2 :: 3.166 HE :: 7.352 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 :: 119.971 NE :: 84.711 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.A24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.28 C 0.01 C Shift Assignments>> CA :: 50.956 CB :: 15.882 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.442 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 128.099 Ave N Shift Values>> N :: 123.23(3.54) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.65 G 0.18 P 0.16 C Shift Assignments>> C :: 174.258 CA :: 63.231 CB :: 31.239 CG :: 27.924 CD :: 47.612 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 :: 4.207 HB2 :: 1.160 HG2 :: 1.539 HG3 :: 1.388 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.T26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.74 C 0.25 HN Overlap>> 1.T70 1.T70 C Shift Assignments>> C :: 171.854 CA :: 60.767 CB :: 71.985 CG2 :: 20.075 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 :: 8.587 HA :: 4.610 HB :: 3.893 HG21 :: 1.115 HG22 :: 1.115 HG23 :: 1.115 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.552 Ave N Shift Values>> N :: 115.42(4.75) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 D 0.22 K 0.17 R 0.1 F 0.07 Y 0.05 C 0.04 N 0.02 C Shift Assignments>> C :: 177.682 CA :: 54.769 CB :: 42.163 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 :: 8.490 HA :: 4.702 HB2 :: 2.955 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.930 Ave N Shift Values>> N :: 120.65(3.86) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.94 T 0.05 C Shift Assignments>> C :: 175.433 CA :: 58.539 CB :: 65.856 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.816 HA :: 3.988 HB2 :: 3.464 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.952 Ave N Shift Values>> N :: 116.28(3.52) 1.G29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.241 CA :: 45.217 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.845 HA2 :: 4.459 HA3 :: 3.721 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.813 Ave N Shift Values>> N :: 109.67(3.87) 1.H30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 W 0.41 H 0.01 C Shift Assignments>> C :: 173.623 CA :: 54.283 CB :: 26.759 CD2 :: 119.080 CE1 :: 144.540 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 :: 8.000 HA :: 5.013 HB2 :: 3.388 HB3 :: 2.888 HD2 :: 7.126 HE1 :: 7.420 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 :: 117.030 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.22 F 0.2 C 0.15 N 0.15 D 0.12 L 0.05 I 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 175.398 CA :: 55.935 CB :: 38.777 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 :: 9.395 HA :: 4.453 HB2 :: 2.993 HB3 :: 2.800 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 116.635 Ave N Shift Values>> N :: 120.65(3.86) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 T 0.44 C Shift Assignments>> C :: 172.174 CA :: 59.180 CB :: 72.069 CG2 :: 22.730 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 :: 7.084 HA :: 4.857 HB :: 4.212 HG21 :: 1.143 HG22 :: 1.143 HG23 :: 1.143 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 :: 105.446 Ave N Shift Values>> N :: 115.42(4.75) 1.V33 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.54 C 0.44 M 0.01 C Shift Assignments>> C :: 175.194 CA :: 60.941 CB :: 33.318 CG1 :: 20.777 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 :: 9.188 HA :: 4.378 HB :: 1.154 HG11 :: 0.080 HG12 :: 0.080 HG13 :: 0.080 HG21 :: -0.332(S) HG22 :: -0.332(S) HG23 :: -0.332(S) 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 :: 121.860 Ave N Shift Values>> N :: 121.14(4.54) 1.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 V 0.04 A 0.04 C Shift Assignments>> C :: 174.534 CA :: 58.035 CB :: 35.237 CG1 :: 22.668 CG2 :: 18.001 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 :: 8.560 HA :: 5.178 HB :: 1.963 HG11 :: 0.836 HG12 :: 0.836 HG13 :: 0.836 HG21 :: 0.637 HG22 :: 0.637 HG23 :: 0.637 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 :: 117.795 Ave N Shift Values>> N :: 121.14(4.54) 1.M35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.23 E 0.17 K 0.16 M 0.13 C Shift Assignments>> C :: 172.157 CA :: 54.402 CB :: 34.737 CG :: 29.972 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 :: 8.017 HA :: 4.317 HB2 :: 2.371 HB3 :: 1.606 HG2 :: 2.510 HG3 :: 2.109 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 :: 115.365 Ave N Shift Values>> N :: 120.09(3.57) 1.E36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.82 M 0.11 E 0.06 C Shift Assignments>> C :: 176.593 CA :: 54.802 CB :: 34.335 CG :: 36.873 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.465 HA :: 5.623(S) HB2 :: 1.991 HB3 :: 1.943 HG2 :: 2.182 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 :: 118.336 Ave N Shift Values>> N :: 120.67(3.48) 1.V37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.11 I 0.01 C Shift Assignments>> C :: 175.707 CA :: 59.288 CB :: 34.408 CG1 :: 23.255 CG2 :: 18.315 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 :: 9.110 HA :: 5.329 HB :: 2.601 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 0.534 HG22 :: 0.534 HG23 :: 0.534 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 :: 120.279 Ave N Shift Values>> N :: 121.14(4.54) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 L 0.28 D 0.06 F 0.05 G 0.05 K 0.04 C 0.03 Y 0.03 I 0.01 C Shift Assignments>> C :: 172.685 CA :: 43.222 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.127 HA2 :: 4.510 HA3 :: 3.448 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 109.168 Ave N Shift Values>> N :: 109.67(3.87) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.41 G 0.28 Y 0.17 C 0.12 C Shift Assignments>> C :: 175.154 CA :: 56.837 CB :: 44.058 CD1 :: 131.480 CD2 :: 131.480 CE1 :: 129.880 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 :: 8.338 HA :: 5.251 HB2 :: 3.005 HB3 :: 2.533 HD1 :: 6.790 HD2 :: 6.790 HE1 :: 7.420 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 118.488 Ave N Shift Values>> N :: 120.45(4.18) 1.S40 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 7.628 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 119.451 Ave N Shift Values>> N :: 116.28(3.52) 1.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.77 L 0.13 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 172.571 CA :: 45.066 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 4.208 HA3 :: 2.883 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.460 CA :: 64.302 CB :: 69.172 CG2 :: 22.277 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 :: 8.330 HA :: 4.042 HB :: 4.009 HG21 :: 1.216 HG22 :: 1.216 HG23 :: 1.216 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.436 Ave N Shift Values>> N :: 115.42(4.75) 1.R43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.55 C 0.43 C Shift Assignments>> CA :: 53.440 CB :: 32.075 CZ :: 159.296 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 :: 8.589 HA :: 4.170 HB2 :: 1.550 HG2 :: 1.330 HE :: 8.076 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 125.899 NE :: 86.188 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.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.98 C Shift Assignments>> C :: 175.746 CA :: 61.617 CB :: 35.372 CG :: 24.588 CD :: 50.213 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 :: 4.881 HB2 :: 2.225 HB3 :: 1.544 HG2 :: 1.756 HG3 :: 1.485 HD2 :: 3.462 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.C45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.24 G 0.19 D 0.07 C 0.05 F 0.04 Y 0.02 K 0.01 C Shift Assignments>> C :: 172.159 CA :: 55.113 CB :: 44.088 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.732 HA :: 5.008 HB2 :: 3.253 HB3 :: 2.930 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 :: 113.941 Ave N Shift Values>> N :: 120.17(4.64) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.54 C 0.38 G 0.06 C Shift Assignments>> C :: 174.824 CA :: 55.489 CB :: 31.631 CG :: 27.538 CD :: 43.224 CZ :: 159.391 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.316 HA :: 4.470 HB2 :: 1.754 HB3 :: 1.667 HG2 :: 1.515 HD2 :: 3.076 HE :: 7.066 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 :: 120.683 NE :: 83.757 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.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.34 F 0.24 Y 0.23 C 0.15 C Shift Assignments>> CA :: 60.838 CB :: 39.916 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 :: 8.448 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.806 Ave N Shift Values>> N :: 121.46(4.28) 1.P48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.71 P 0.27 C Shift Assignments>> C :: 173.983 CA :: 61.786 CB :: 29.270 CG :: 26.646 CD :: 50.437 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.787 HB2 :: 2.146 HB3 :: 1.868 HG2 :: 2.141 HG3 :: 1.988 HD2 :: 4.096 HD3 :: 3.339 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.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 V 0.37 C Shift Assignments>> C :: 173.588 CA :: 58.880 CB :: 33.721 CG1 :: 22.413 CG2 :: 20.126 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 :: 7.848 HA :: 5.218 HB :: 1.720 HG11 :: 0.814 HG12 :: 0.814 HG13 :: 0.814 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 :: 124.153 Ave N Shift Values>> N :: 121.14(4.54) 1.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.38 G 0.08 C Shift Assignments>> C :: 172.512 CA :: 54.736 CB :: 32.914 CG :: 26.864 CD :: 43.285 CZ :: 158.998 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 9.159 HA :: 4.603 HB2 :: 1.846 HB3 :: 1.719 HG2 :: 1.609 HG3 :: 1.234 HD2 :: 2.983 HE :: 6.822 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 124.631 NE :: 83.876 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.A51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 K 0.17 C 0.16 P 0.06 R 0.03 A 0.01 Q 0.01 C Shift Assignments>> C :: 175.203 CA :: 51.887 CB :: 24.767 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.502 HA :: 5.630 HB1 :: 1.239 HB2 :: 1.239 HB3 :: 1.239 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 119.265 Ave N Shift Values>> N :: 123.23(3.54) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.34 C Shift Assignments>> C :: 174.622 CA :: 58.907 CB :: 34.830 CG1 :: 21.402 CG2 :: 20.170 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 :: 9.132 HA :: 5.149 HB :: 2.469 HG11 :: 0.954 HG12 :: 0.954 HG13 :: 0.954 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 :: 113.902 Ave N Shift Values>> N :: 121.14(4.54) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.93 M 0.03 C 0.02 L 0.01 C Shift Assignments>> C :: 178.704 CA :: 51.414 CB :: 19.926 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.467 HA :: 4.875 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 127.342 Ave N Shift Values>> N :: 123.23(3.54) 1.H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.36 H 0.32 C 0.31 C Shift Assignments>> C :: 176.070 CA :: 57.902 CB :: 29.058 CD2 :: 120.110 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 :: 8.646 HA :: 4.105 HB2 :: 3.154 HB3 :: 3.052 HD2 :: 7.280 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 :: 120.341 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 L 0.11 C 0.03 R 0.01 F 0.01 C Shift Assignments>> C :: 174.208 CA :: 45.176 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.692 HA2 :: 4.100 HA3 :: 3.676 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.568 Ave N Shift Values>> N :: 109.67(3.87) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.17 K 0.12 W 0.1 R 0.08 M 0.07 H 0.06 E 0.05 Q 0.04 P 0.01 HN Overlap>> 1.D15 1.D15 C Shift Assignments>> CA :: 59.772 CB :: 32.322 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 :: 7.872 HA :: 4.620 HB :: 2.170 HG11 :: 1.030 HG12 :: 1.030 HG13 :: 1.030 HG21 :: 0.875 HG22 :: 0.875 HG23 :: 0.875 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 :: 120.503 Ave N Shift Values>> N :: 121.14(4.54) 1.P57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 177.719 CA :: 64.533 CB :: 32.369 CG :: 27.168 CD :: 50.609 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 :: 4.306 HB2 :: 2.280 HB3 :: 1.943 HG2 :: 1.941 HD2 :: 3.448 HD3 :: 3.818 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.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.35 I 0.11 K 0.08 Q 0.03 M 0.01 C Shift Assignments>> C :: 176.370 CA :: 58.169 CB :: 29.320 CG :: 36.447 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 :: 8.891 HA :: 4.161 HB2 :: 2.133 HB3 :: 1.996 HG2 :: 2.250 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 :: 115.412 Ave N Shift Values>> N :: 120.67(3.48) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.37 C Shift Assignments>> C :: 175.037 CA :: 61.943 CB :: 33.918 CG1 :: 20.932 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 :: 6.919 HA :: 4.188 HB :: 2.005 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.108 Ave N Shift Values>> N :: 121.14(4.54) 1.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 D 0.15 C 0.09 Y 0.05 F 0.05 L 0.03 C Shift Assignments>> C :: 176.714 CA :: 52.525 CB :: 38.644 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 :: 8.818 HA :: 5.426 HB2 :: 3.024 HB3 :: 2.878 HD21 :: 7.303 HD22 :: 7.682 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 126.033 ND2 :: 113.540 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.19 C Shift Assignments>> C :: 176.038 CA :: 60.313 CB :: 32.097 CG1 :: 21.650 CG2 :: 17.704 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 :: 9.002 HA :: 4.474 HB :: 2.390 HG11 :: 0.982 HG12 :: 0.982 HG13 :: 0.982 HG21 :: 0.613 HG22 :: 0.613 HG23 :: 0.613 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 :: 119.575 Ave N Shift Values>> N :: 121.14(4.54) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.14 C 0.02 C Shift Assignments>> C :: 177.285 CA :: 53.294 CB :: 19.256 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.745 HA :: 4.130 HB1 :: 1.312 HB2 :: 1.312 HB3 :: 1.312 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.414 Ave N Shift Values>> N :: 123.23(3.54) 1.M63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 C 0.29 Q 0.14 K 0.01 C Shift Assignments>> C :: 175.835 CA :: 54.202 CB :: 32.698 CG :: 31.891 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 :: 8.174 HA :: 4.694 HB2 :: 2.096 HB3 :: 1.998 HG2 :: 2.438 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 124.388 Ave N Shift Values>> N :: 120.09(3.57) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 L 0.45 R 0.03 A 0.01 C Shift Assignments>> C :: 176.512 CA :: 56.051 CB :: 41.143 CG :: 25.654 CD1 :: 27.400 CD2 :: 23.703 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 :: 8.814 HA :: 4.156 HB2 :: 1.758 HB3 :: 1.522 HG :: 1.720 HD11 :: 0.935 HD12 :: 0.935 HD13 :: 0.935 HD21 :: 0.750 HD22 :: 0.750 HD23 :: 0.750 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.809 Ave N Shift Values>> N :: 121.86(3.9) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 177.558 CA :: 61.216 CB :: 37.663 CG1 :: 28.909 CG2 :: 17.381 CD1 :: 11.171 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 :: 8.647 HA :: 3.993 HB :: 1.491 HG12 :: 1.495 HG13 :: 1.365 HG21 :: 0.892 HG22 :: 0.892 HG23 :: 0.892 HD11 :: 0.756 HD12 :: 0.756 HD13 :: 0.756 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 126.373 Ave N Shift Values>> N :: 121.46(4.28) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 56.831 CB :: 70.701 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 :: 7.465 HA :: 4.660 HB :: 4.350 HG21 :: 1.410 HG22 :: 1.410 HG23 :: 1.410 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.005 Ave N Shift Values>> N :: 115.42(4.75) 1.P67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 176.466 CA :: 63.009 CB :: 32.400 CG :: 27.132 CD :: 51.306 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 :: 4.241 HB2 :: 2.242 HB3 :: 1.870 HG2 :: 2.038 HG3 :: 1.896 HD2 :: 4.098 HD3 :: 3.717 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.N68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 D 0.24 C 0.07 L 0.07 F 0.06 Y 0.06 C Shift Assignments>> CA :: 52.853 CB :: 39.395 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 :: 8.668 HA :: 4.525 HB2 :: 2.699 HB3 :: 2.568 HD21 :: 6.539 HD22 :: 7.606 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 115.372 ND2 :: 112.800 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.P69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.2 C Shift Assignments>> C :: 177.233 CA :: 64.014 CB :: 31.710 CG :: 28.021 CD :: 49.612 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 :: 4.503 HB2 :: 2.138 HB3 :: 1.879 HG2 :: 2.070 HG3 :: 1.774 HD2 :: 3.875 HD3 :: 3.624 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.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.63 C 0.36 HN Overlap>> 1.T26 1.T26 C Shift Assignments>> C :: 174.277 CA :: 60.633 CB :: 72.652 CG2 :: 21.939 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 :: 8.503 HA :: 4.961 HB :: 4.059 HG21 :: 1.001 HG22 :: 1.001 HG23 :: 1.001 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 117.612 Ave N Shift Values>> N :: 115.42(4.75) 1.M71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 R 0.25 K 0.22 M 0.05 C Shift Assignments>> C :: 175.625 CA :: 53.308 CB :: 29.904 CG :: 29.184 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 :: 8.712 HA :: 5.059 HB2 :: 1.987 HB3 :: 1.616 HG2 :: 2.108 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 :: 118.881 Ave N Shift Values>> N :: 120.09(3.57) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.29 E 0.15 Q 0.11 C Shift Assignments>> C :: 176.801 CA :: 54.028 CB :: 31.855 CG :: 35.090 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 :: 8.324 HA :: 4.694 HB2 :: 2.324 HB3 :: 1.664 HG2 :: 2.360 HG3 :: 2.218 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 :: 121.491 Ave N Shift Values>> N :: 120.67(3.48) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.23 C 0.22 F 0.17 E 0.14 I 0.06 N 0.05 M 0.03 D 0.02 L 0.01 C Shift Assignments>> C :: 176.087 CA :: 56.938 CB :: 37.698 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 :: 9.597 HA :: 4.312 HB2 :: 2.705 HD21 :: 6.802 HD22 :: 7.514 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 :: 121.008 ND2 :: 111.407 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.19 C 0.08 F 0.05 Y 0.05 L 0.05 C Shift Assignments>> C :: 174.715 CA :: 52.550 CB :: 39.042 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 :: 8.208 HA :: 4.832 HB2 :: 2.813 HD21 :: 6.860 HD22 :: 7.575 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 :: 114.120 ND2 :: 112.413 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.551 CA :: 45.714 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.447 HA2 :: 4.288 HA3 :: 4.088 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.108 Ave N Shift Values>> N :: 109.67(3.87) 1.G76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.24 R 0.13 C 0.04 F 0.03 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.291 CA :: 44.472 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.446 HA2 :: 5.045 HA3 :: 4.118 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.344 Ave N Shift Values>> N :: 109.67(3.87) 1.G77 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 :: 173.332 CA :: 46.073 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.901 HA2 :: 4.686 HA3 :: 3.556 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.778 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>> F 0.3 Y 0.28 C 0.13 I 0.1 L 0.06 D 0.05 K 0.01 N 0.01 C Shift Assignments>> C :: 174.845 CA :: 58.173 CB :: 39.982 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 :: 8.110 HA :: 5.087 HB2 :: 3.077 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 :: 122.348 Ave N Shift Values>> N :: 120.45(4.18) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 I 0.4 G 0.01 C Shift Assignments>> C :: 172.295 CA :: 60.195 CB :: 42.230 CG1 :: 27.149 CG2 :: 18.847 CD1 :: 14.702 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 :: 7.962 HA :: 4.298 HB :: 1.249 HG12 :: 1.507 HG13 :: 1.267 HG21 :: 0.595 HG22 :: 0.595 HG23 :: 0.595 HD11 :: 0.595 HD12 :: 0.595 HD13 :: 0.595 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.520 Ave N Shift Values>> N :: 121.46(4.28) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.42 C 0.39 E 0.13 Q 0.04 C Shift Assignments>> C :: 175.555 CA :: 53.663 CB :: 32.719 CG :: 35.592 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 :: 8.195 HA :: 5.294 HB2 :: 1.861 HB3 :: 1.847 HG2 :: 2.186 HG3 :: 1.863 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 :: 126.437 Ave N Shift Values>> N :: 120.67(3.48) 1.M81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 E 0.29 I 0.04 K 0.02 M 0.02 L 0.01 C Shift Assignments>> C :: 171.992 CA :: 54.175 CB :: 37.865 CG :: 29.300 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 9.307 HA :: 5.352 HB2 :: 1.918 HB3 :: 1.561 HG2 :: 2.077 HG3 :: 1.760 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 :: 123.018 Ave N Shift Values>> N :: 120.09(3.57) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.43 C 0.31 E 0.13 Q 0.11 C Shift Assignments>> C :: 174.282 CA :: 54.568 CB :: 32.203 CG :: 34.919 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 9.220 HA :: 4.936 HB2 :: 2.065 HB3 :: 1.874 HG2 :: 2.375 HE21 :: 6.753 HE22 :: 7.492 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.392 NE2 :: 111.644 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.15 R 0.05 D 0.05 C 0.03 C Shift Assignments>> CA :: 51.485 CB :: 44.247 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 :: 8.676 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.376 Ave N Shift Values>> N :: 121.86(3.9) 1.P84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.P85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.29 C Shift Assignments>> C :: 177.377 CA :: 62.838 CB :: 32.381 CG :: 27.757 CD :: 50.150 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 3.900 HB2 :: 2.200 HB3 :: 1.707 HG2 :: 2.208 HD2 :: 3.764 HD3 :: 3.503 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.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 L 0.29 G 0.09 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> C :: 172.432 CA :: 43.510 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.019 HA2 :: 4.489 HA3 :: 3.303 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.064 Ave N Shift Values>> N :: 109.67(3.87) 1.D87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.24 K 0.17 F 0.1 Y 0.07 C 0.05 N 0.05 R 0.03 C Shift Assignments>> C :: 175.047 CA :: 54.940 CB :: 41.563 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 :: 8.349 HA :: 4.686 HB2 :: 2.690 HB3 :: 2.529 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.853 Ave N Shift Values>> N :: 120.65(3.86) 1.N88 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.66 L 0.19 R 0.05 D 0.04 C 0.03 HN Overlap>> 1.E3 1.E3 C Shift Assignments>> C :: 174.703 CA :: 52.701 CB :: 44.671(S) 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 :: 8.794 HA :: 5.795 HB2 :: 2.872 HB3 :: 2.301 HD21 :: 6.639 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 :: 123.257 ND2 :: 112.988 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.I89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 174.865 CA :: 61.831 CB :: 39.996 CG1 :: 27.933 CG2 :: 18.312 CD1 :: 13.381 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 :: 9.597 HA :: 4.444 HB :: 1.676 HG12 :: 1.680 HG21 :: 0.732 HG22 :: 0.732 HG23 :: 0.732 HD11 :: 0.302 HD12 :: 0.302 HD13 :: 0.302 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 :: 121.734 Ave N Shift Values>> N :: 121.46(4.28) 1.I90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.36 C Shift Assignments>> C :: 174.238 CA :: 61.522 CB :: 40.858 CG1 :: 28.132 CG2 :: 17.491 CD1 :: 14.961 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 :: 8.765 HA :: 4.123 HB :: 1.681 HG12 :: 0.965 HG21 :: 0.809 HG22 :: 0.809 HG23 :: 0.809 HD11 :: 0.507 HD12 :: 0.507 HD13 :: 0.507 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 127.188 Ave N Shift Values>> N :: 121.46(4.28) 1.Y91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 175.667 CA :: 56.733 CB :: 41.476 CE1 :: 119.410 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 :: 9.112 HA :: 5.491 HB2 :: 3.133 HB3 :: 2.614 HE1 :: 6.700 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 124.293 Ave N Shift Values>> N :: 120.52(4.2) 1.V92 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.54 C 0.43 I 0.01 C Shift Assignments>> C :: 175.188 CA :: 61.426 CB :: 31.220 CG1 :: 20.814 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 :: 8.437 HA :: 3.925 HB :: 1.171 HG11 :: 0.452 HG12 :: 0.452 HG13 :: 0.452 HG21 :: -0.407(S) HG22 :: -0.407(S) HG23 :: -0.407(S) 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 :: 122.904 Ave N Shift Values>> N :: 121.14(4.54) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.04 C Shift Assignments>> C :: 174.197 CA :: 47.046 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.934 HA2 :: 4.029 HA3 :: 3.594 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.602 Ave N Shift Values>> N :: 109.67(3.87) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 L 0.22 K 0.15 F 0.12 Y 0.09 C 0.06 N 0.05 R 0.02 C Shift Assignments>> C :: 177.647 CA :: 55.360 CB :: 41.262 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.750 HA :: 4.688 HB2 :: 2.826 HB3 :: 2.518 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 :: 126.141 Ave N Shift Values>> N :: 120.65(3.86) 1.L95 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.62 C 0.28 K 0.06 A 0.01 C Shift Assignments>> C :: 175.863 CA :: 55.609 CB :: 41.955 CG :: 26.298 CD1 :: 23.510 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 :: 8.159 HA :: 4.193 HB2 :: 1.647 HB3 :: 1.404 HG :: 1.076 HD11 :: 0.219 HD12 :: 0.219 HD13 :: 0.219 HD21 :: -0.317(S) HD22 :: -0.317(S) HD23 :: -0.317(S) Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.690 Ave N Shift Values>> N :: 121.86(3.9) 1.N96 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.27 G 0.26 D 0.18 R 0.15 C 0.04 N 0.02 F 0.02 K 0.01 Y 0.01 C Shift Assignments>> C :: 175.334 CA :: 51.685 CB :: 43.391 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 :: 8.593 HA :: 6.145(S) HB2 :: 2.358 HB3 :: 1.866 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 118.048 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 H 0.17 W 0.11 Y 0.04 C Shift Assignments>> C :: 174.027 CA :: 57.002 CB :: 34.518 CD2 :: 119.790 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 :: 8.828 HA :: 4.502 HB2 :: 3.029 HB3 :: 2.495 HD2 :: 7.450 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 119.338 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.Q98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 K 0.27 C 0.25 E 0.08 M 0.04 R 0.03 C Shift Assignments>> C :: 175.561 CA :: 56.802 CB :: 29.201 CG :: 33.878 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 :: 8.710 HA :: 4.621 HB2 :: 2.053 HB3 :: 1.895 HG2 :: 2.369 HG3 :: 2.255 HE21 :: 6.614 HE22 :: 7.790 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 127.895 NE2 :: 112.267 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.19 C 0.18 M 0.17 Q 0.16 R 0.07 H 0.07 W 0.05 E 0.03 V 0.03 C Shift Assignments>> C :: 173.130 CA :: 57.261 CB :: 33.147 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.017 HA :: 4.759 HB2 :: 2.960 HB3 :: 2.682 HE1 :: 10.013 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 125.032 NE1 :: 129.113 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 Y 0.05 C Shift Assignments>> C :: 173.052 CA :: 56.623 CB :: 38.947 CD1 :: 128.510 CD2 :: 128.510 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 :: 7.788 HA :: 4.767 HB2 :: 2.699 HB3 :: 2.535 HD1 :: 6.930 HD2 :: 6.930 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 :: 130.476 Ave N Shift Values>> N :: 120.45(4.18) 1.Q101 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> M 0.26 C 0.25 Q 0.25 K 0.19 R 0.01 C Shift Assignments>> C :: 174.040 CA :: 53.269 CB :: 30.228 CG :: 32.756 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 :: 8.409 HA :: 4.179 HB2 :: 2.267 HB3 :: 1.710 HG2 :: 2.251 HG3 :: 2.104 HE21 :: 7.144 HE22 :: 8.229 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 :: 129.276 NE2 :: 118.358(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K102 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.22 K 0.17 M 0.13 Q 0.12 V 0.07 R 0.07 W 0.06 H 0.06 E 0.04 C Shift Assignments>> CA :: 58.381 CB :: 33.033 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 :: 8.332 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 :: 135.323(S) Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) ########################################################################### Overall Results: #Consistent: 94 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 100 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 102 #Suspicious: 0 C Shift Results: #Consistent: 382 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 547 #Duplicate: 0 #Unknown: 0 #Suspicious: 11 #Anomalous: 0 N Shift Results: #Consistent: 105 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 Error Summary: 1.V33 HG21 = -0.332(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.2804e-05 1.V33 HG22 = -0.332(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.2804e-05 1.V33 HG23 = -0.332(S), Expected = 0.80, Std = 0.2800, ChiSquare = 5.2804e-05 1.E36 HA = 5.623(S), Expected = 4.25, Std = 0.4100, ChiSquare = 8.1168e-04 1.N88 CB = 44.671(S), Expected = 38.69, Std = 1.6900, ChiSquare = 4.0156e-04 1.V92 HG21 = -0.407(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.6273e-05 1.V92 HG22 = -0.407(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.6273e-05 1.V92 HG23 = -0.407(S), Expected = 0.80, Std = 0.2800, ChiSquare = 1.6273e-05 1.L95 HD21 = -0.317(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.0579e-04 1.L95 HD22 = -0.317(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.0579e-04 1.L95 HD23 = -0.317(S), Expected = 0.73, Std = 0.2900, ChiSquare = 3.0579e-04 1.N96 HA = 6.145(S), Expected = 4.67, Std = 0.3600, ChiSquare = 4.1814e-05 1.Q101 NE2 = 118.358(S), Expected = 111.87, Std = 1.7200, ChiSquare = 1.6188e-04 1.K102 N = 135.323(S), Expected = 121.05, Std = 3.7700, ChiSquare = 1.5313e-04