Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.V1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.37 C 0.29 P 0.09 K 0.07 Q 0.03 M 0.03 R 0.03 H 0.02 E 0.01 C Shift Assignments>> C :: 172.059 CA :: 61.127 CB :: 32.975 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>> HA :: 3.814 HB :: 2.207 HG11 :: 0.992 HG12 :: 0.992 HG13 :: 0.992 HG21 :: 1.012 HG22 :: 1.012 HG23 :: 1.012 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.086 Ave N Shift Values>> N :: 121.14(4.54) 1.H2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.17 H 0.16 C 0.13 R 0.12 E 0.11 M 0.04 L 0.03 I 0.01 C Shift Assignments>> C :: 173.874 CA :: 55.230 CB :: 28.953 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 :: 8.913 HA :: 4.766 HB2 :: 3.250 HB3 :: 3.189 HD2 :: 7.319 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 :: 123.184 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.21 K 0.2 Q 0.19 C 0.18 R 0.07 H 0.07 E 0.03 V 0.02 C Shift Assignments>> C :: 176.110 CA :: 56.385 CB :: 33.310 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 :: 8.597 HA :: 4.307 HB2 :: 1.787 HB3 :: 1.787 HG2 :: 1.379 HG3 :: 1.438 HD2 :: 1.719 HD3 :: 1.719 HE2 :: 2.985 HE3 :: 2.985 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 :: 124.726 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.2 K 0.18 C 0.17 R 0.07 H 0.07 E 0.02 V 0.01 C Shift Assignments>> C :: 175.677 CA :: 55.230 CB :: 33.310 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 :: 8.521 HA :: 4.474 HB2 :: 2.595 HB3 :: 2.560 HG2 :: 2.034 HG3 :: 1.991 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 :: 122.954 Ave N Shift Values>> N :: 120.09(3.57) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.07 C 0.02 L 0.01 C Shift Assignments>> C :: 177.560 CA :: 52.503 CB :: 19.569 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.453 HA :: 4.351 HB1 :: 1.413 HB2 :: 1.413 HB3 :: 1.413 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.710 Ave N Shift Values>> N :: 123.23(3.54) 1.K6 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> K 0.2 M 0.19 C 0.18 Q 0.13 R 0.1 H 0.09 E 0.05 V 0.02 C Shift Assignments>> C :: 176.367 CA :: 56.818 CB :: 32.807 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 :: 8.437 HA :: 4.220 HB2 :: 1.794 HB3 :: 1.733 HG2 :: 1.464 HG3 :: 1.394 HD2 :: 1.681 HD3 :: 1.681 HE2 :: 2.993 HE3 :: 2.993 HZ1 :: 7.543(U) HZ2 :: 7.543(U) HZ3 :: 7.543(U) Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.367 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.12 C 0.11 Y 0.08 F 0.07 L 0.03 E 0.01 M 0.01 C Shift Assignments>> C :: 174.595 CA :: 53.505 CB :: 38.337 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.409 HA :: 4.631 HB2 :: 2.917 HB3 :: 2.917 HD21 :: 7.538 HD22 :: 6.913 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 :: 119.016 ND2 :: 112.263 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.17 K 0.16 E 0.15 H 0.15 C 0.13 R 0.12 M 0.04 I 0.02 L 0.01 C Shift Assignments>> C :: 175.990 CA :: 56.889 CB :: 29.288 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 :: 8.194 HA :: 4.365 HB2 :: 2.061 HB3 :: 1.992 HG2 :: 2.218 HG3 :: 2.567 HE21 :: 7.546 HE22 :: 6.862 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 :: 121.234 NE2 :: 110.968 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.F9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.22 I 0.2 F 0.15 E 0.13 M 0.01 C Shift Assignments>> C :: 174.884 CA :: 59.200 CB :: 37.419 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 :: 8.322 HA :: 4.128 HB2 :: 3.034 HB3 :: 2.707 HD1 :: 6.917 HD2 :: 6.907 HE1 :: 7.008 HE2 :: 6.997 HZ :: 6.812 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 :: 116.314 Ave N Shift Values>> N :: 120.45(4.18) 1.G10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> C :: 174.306 CA :: 46.278 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.062 HA2 :: 4.051 HA3 :: 3.672 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.366 Ave N Shift Values>> N :: 109.67(3.87) 1.C11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 C 0.24 M 0.16 Y 0.07 N 0.06 K 0.06 Q 0.04 F 0.03 I 0.01 C Shift Assignments>> C :: 175.111 CA :: 55.446 CB :: 35.991 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.925 HA :: 5.129 HB2 :: 2.719 HB3 :: 2.870 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.211 Ave N Shift Values>> N :: 120.17(4.64) 1.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 K 0.19 Y 0.18 C 0.12 I 0.1 L 0.06 R 0.06 D 0.01 C Shift Assignments>> C :: 175.749 CA :: 59.778 CB :: 41.856 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 :: 8.990 HA :: 4.299 HB2 :: 3.075 HB3 :: 2.873 HD1 :: 7.259 HD2 :: 7.248 HE1 :: 7.374 HE2 :: 7.364 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 :: 121.725 Ave N Shift Values>> N :: 120.45(4.18) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.46 C 0.01 C Shift Assignments>> C :: 176.038 CA :: 53.505 CB :: 16.720 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.968 HA :: 3.738 HB1 :: 1.097 HB2 :: 1.097 HB3 :: 1.097 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 131.722 Ave N Shift Values>> N :: 123.23(3.54) 1.N14 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> Y 0.2 C 0.19 N 0.17 F 0.16 E 0.08 D 0.07 I 0.03 M 0.03 L 0.02 C Shift Assignments>> C :: 174.018 CA :: 55.761 CB :: 38.002 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 :: 8.031 HA :: 3.925 HB2 :: 3.207 HB3 :: 3.508 HD21 :: 7.609 HD22 :: 6.967 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 :: 104.151(S) ND2 :: 115.140 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.V15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.46 C 0.25 P 0.16 K 0.03 Q 0.01 I 0.01 M 0.01 R 0.01 C Shift Assignments>> C :: 174.667 CA :: 62.089 CB :: 33.310 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 :: 8.404 HA :: 4.189 HB :: 2.344 HG11 :: 0.922 HG12 :: 0.922 HG13 :: 0.922 HG21 :: 1.013 HG22 :: 1.013 HG23 :: 1.013 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 123.160 Ave N Shift Values>> N :: 121.14(4.54) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.18 C 0.07 F 0.05 Y 0.04 L 0.04 C Shift Assignments>> C :: 177.673 CA :: 52.236 CB :: 39.007 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 :: 8.948 HA :: 4.961 HB2 :: 3.096 HB3 :: 2.580 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 :: 128.572 Ave N Shift Values>> N :: 120.65(3.86) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.82 P 0.08 C 0.08 C Shift Assignments>> C :: 177.356 CA :: 67.441 CB :: 32.400 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 :: 7.851 HA :: 3.540 HB :: 2.227 HG11 :: 1.025 HG12 :: 1.025 HG13 :: 1.025 HG21 :: 1.309 HG22 :: 1.309 HG23 :: 1.309 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 :: 124.366 Ave N Shift Values>> N :: 121.14(4.54) 1.K18 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> M 0.25 Q 0.18 K 0.18 C 0.17 R 0.08 H 0.08 E 0.02 C Shift Assignments>> C :: 176.896 CA :: 54.802 CB :: 33.185 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 :: 8.930 HA :: 4.627 HB2 :: 2.092 HB3 :: 2.092 HG2 :: 1.523 HG3 :: 1.441 HD2 :: 1.759 HD3 :: 1.759 HE2 :: 3.023 HE3 :: 3.023 HZ1 :: 7.142(U) HZ2 :: 7.142(U) HZ3 :: 7.142(U) 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 :: 115.731 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G19 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 :: 175.206 CA :: 46.086 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.372 HA2 :: 4.142 HA3 :: 3.730 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.761 Ave N Shift Values>> N :: 109.67(3.87) 1.D20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.25 F 0.22 C 0.16 N 0.11 D 0.09 L 0.05 I 0.04 E 0.02 M 0.01 HN Overlap>> 1.S46 1.S46 C Shift Assignments>> C :: 177.875 CA :: 56.330 CB :: 38.692 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 :: 8.187 HA :: 4.602 HB2 :: 3.783(S) HB3 :: 3.783(S) 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 :: 119.252 Ave N Shift Values>> N :: 120.65(3.86) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.23 M 0.12 K 0.09 Q 0.08 Y 0.05 I 0.03 V 0.03 F 0.02 H 0.01 R 0.01 C Shift Assignments>> C :: 176.493 CA :: 58.142 CB :: 35.317 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 10.470 HA :: 4.610 HB2 :: 2.586 HB3 :: 3.169 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 :: 127.565 Ave N Shift Values>> N :: 120.17(4.64) 1.K22 Overall: Clerical Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Unknown N Shifts: Consistent PRTL>> C 0.28 V 0.28 P 0.09 K 0.07 R 0.07 E 0.05 H 0.05 M 0.04 Q 0.01 I 0.01 C Shift Assignments>> C :: 180.136 CA :: 60.803 CB :: 31.799 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 :: 9.488 HA :: 3.752 HB2 :: 1.996 HB3 :: 1.826 HG2 :: 1.390 HG3 :: 1.390 HD2 :: 1.634 HD3 :: 1.634 HE2 :: 3.099 HE3 :: 3.099 HZ1 :: 7.670(U) HZ2 :: 7.670(U) HZ3 :: 7.670(U) 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 :: 123.352 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 0.29 V 0.18 E 0.1 R 0.09 H 0.07 I 0.06 K 0.05 P 0.05 Q 0.04 M 0.03 C Shift Assignments>> C :: 178.493 CA :: 60.577 CB :: 30.874 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 :: 7.916 HA :: 3.970 HB2 :: 1.889 HB3 :: 1.963 HG2 :: 0.942 HG3 :: 0.942 HD2 :: 3.333 HD3 :: 3.270 HE :: 7.337 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 :: 118.015 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.H24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 R 0.17 I 0.13 Q 0.12 K 0.1 E 0.09 H 0.08 L 0.06 C Shift Assignments>> C :: 176.958 CA :: 58.570 CB :: 27.741 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 :: 8.142 HA :: 4.269 HB2 :: 3.018 HB3 :: 3.018 HD2 :: 6.518 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 :: 119.673 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.C25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 C 0.24 M 0.14 Y 0.07 K 0.06 Q 0.04 N 0.04 F 0.04 I 0.01 HN Overlap>> 1.D29 1.D29 C Shift Assignments>> C :: 177.831 CA :: 56.001 CB :: 35.978 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.237 HA :: 4.042 HB2 :: 2.153 HB3 :: 2.357 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 :: 115.849 Ave N Shift Values>> N :: 120.17(4.64) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.17 K 0.12 R 0.1 H 0.08 E 0.08 M 0.08 Q 0.03 P 0.01 C Shift Assignments>> C :: 179.633 CA :: 59.705 CB :: 31.969 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 :: 8.474 HA :: 4.130 HB2 :: 2.020 HB3 :: 1.986 HG2 :: 1.468 HG3 :: 1.401 HD2 :: 1.718 HD3 :: 1.637 HE2 :: 2.989 HE3 :: 2.989 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 125.012 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.A27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 A 0.45 I 0.02 C 0.02 C Shift Assignments>> C :: 178.063 CA :: 54.580 CB :: 17.893 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.257 HA :: 4.264 HB1 :: 1.515 HB2 :: 1.515 HB3 :: 1.515 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.198 Ave N Shift Values>> N :: 123.23(3.54) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.15 C 0.14 K 0.14 R 0.13 L 0.12 E 0.07 M 0.02 C Shift Assignments>> C :: 174.734 CA :: 54.075 CB :: 28.283 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 :: 7.309 HA :: 4.575 HB2 :: 1.952 HB3 :: 2.221 HG2 :: 2.239 HG3 :: 2.345 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 114.358 Ave N Shift Values>> N :: 120.67(3.48) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 N 0.21 E 0.2 M 0.12 Y 0.08 F 0.05 K 0.03 Q 0.01 D 0.01 HN Overlap>> 1.C25 1.C25 C Shift Assignments>> C :: 174.451 CA :: 54.436 CB :: 36.494 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 :: 8.272 HA :: 4.362 HB2 :: 2.890 HB3 :: 3.323 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 115.911 Ave N Shift Values>> N :: 120.65(3.86) 1.K30 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Unknown N Shifts: Consistent PRTL>> N 0.23 Y 0.18 F 0.17 D 0.15 C 0.13 L 0.06 I 0.02 E 0.01 M 0.01 C Shift Assignments>> C :: 175.533 CA :: 55.260 CB :: 38.840(S) 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 :: 7.866 HA :: 4.823 HB2 :: 1.757 HB3 :: 1.757 HG2 :: 1.455 HG3 :: 1.455 HD2 :: 1.132 HD3 :: 1.132 HE2 :: 2.965 HE3 :: 2.965 HZ1 :: 7.568(U) HZ2 :: 7.568(U) HZ3 :: 7.568(U) 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 :: 116.975 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.18 H 0.17 K 0.15 R 0.14 E 0.13 C 0.12 M 0.05 L 0.01 C Shift Assignments>> C :: 176.327 CA :: 55.591 CB :: 29.456 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 :: 8.669 HA :: 4.290 HB2 :: 1.908 HB3 :: 2.048 HG2 :: 2.347 HG3 :: 2.441 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 :: 120.020 Ave N Shift Values>> N :: 120.67(3.48) 1.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 C 0.07 L 0.04 A 0.01 C Shift Assignments>> C :: 171.930 CA :: 47.217 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.343 HA2 :: 5.187 HA3 :: 3.048 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.595 Ave N Shift Values>> N :: 109.67(3.87) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.19 K 0.18 C 0.12 I 0.11 L 0.06 R 0.04 D 0.01 C Shift Assignments>> C :: 174.566 CA :: 59.771 CB :: 41.688 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 :: 8.651 HA :: 4.308 HB :: 1.798 HG12 :: 1.384 HG13 :: 1.110 HG21 :: 0.834 HG22 :: 0.834 HG23 :: 0.834 HD11 :: 0.709 HD12 :: 0.709 HD13 :: 0.709 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 :: 126.450 Ave N Shift Values>> N :: 121.46(4.28) 1.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 N 0.19 E 0.18 M 0.17 K 0.05 Y 0.05 Q 0.04 F 0.02 C Shift Assignments>> C :: 174.518 CA :: 53.881 CB :: 35.991 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.971 HA :: 5.312 HB2 :: 2.439 HB3 :: 2.439 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 :: 124.364 Ave N Shift Values>> N :: 120.17(4.64) 1.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 H 0.17 K 0.16 C 0.14 R 0.11 E 0.09 L 0.05 M 0.04 C Shift Assignments>> C :: 175.048 CA :: 54.075 CB :: 28.785 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.509 HA :: 4.892 HB2 :: 3.029 HB3 :: 3.187 HD1 :: 8.659 HD2 :: 7.141 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 :: 123.699 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.G36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 C 0.1 P 0.1 A 0.06 L 0.03 N 0.02 C Shift Assignments>> C :: 174.420 CA :: 47.794 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.629 HA2 :: 3.415 HA3 :: 4.145 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.739 Ave N Shift Values>> N :: 109.67(3.87) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.712 CA :: 60.961 CB :: 69.170 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 :: 8.354 HA :: 4.324 HB :: 4.265 HG21 :: 1.330 HG22 :: 1.330 HG23 :: 1.330 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 :: 117.615 Ave N Shift Values>> N :: 115.42(4.75) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 Q 0.23 C 0.18 K 0.18 H 0.05 R 0.05 E 0.02 HN Overlap>> 1.V43 1.V43 C Shift Assignments>> C :: 174.671 CA :: 55.260 CB :: 33.772 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 :: 8.052 HA :: 4.540 HB2 :: 2.009 HB3 :: 2.031 HG2 :: 1.519 HG3 :: 1.365 HD2 :: 1.820 HD3 :: 1.665 HE2 :: 3.000 HE3 :: 3.000 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.635 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.24 Y 0.18 C 0.17 F 0.15 D 0.09 E 0.05 L 0.03 I 0.02 M 0.02 C Shift Assignments>> C :: 173.540 CA :: 55.322 CB :: 38.213 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.805 HA :: 5.037 HB2 :: 3.231 HB3 :: 2.782 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 :: 123.390 Ave N Shift Values>> N :: 120.17(4.64) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 Q 0.21 C 0.2 K 0.14 E 0.06 H 0.03 R 0.03 N 0.01 Y 0.01 C Shift Assignments>> C :: 175.305 CA :: 54.445 CB :: 34.483 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 :: 9.160 HA :: 4.754 HB2 :: 1.881 HB3 :: 1.711 HG2 :: 1.319 HG3 :: 1.319 HD2 :: 1.576 HD3 :: 1.576 HE2 :: 2.918 HE3 :: 2.918 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 131.804 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 M 0.23 N 0.16 Q 0.09 K 0.06 E 0.05 H 0.01 Y 0.01 R 0.01 P 0.01 C Shift Assignments>> C :: 175.488 CA :: 51.909 CB :: 35.153 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.984 HA :: 5.576 HB2 :: 2.780 HB3 :: 2.738 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 :: 123.280 Ave N Shift Values>> N :: 120.17(4.64) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.14 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.661 CA :: 44.979 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.942 HA2 :: 4.333 HA3 :: 3.858 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.226 Ave N Shift Values>> N :: 109.67(3.87) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 V 0.22 R 0.09 K 0.08 E 0.07 H 0.07 M 0.05 P 0.05 Q 0.02 I 0.01 HN Overlap>> 1.K38 1.K38 C Shift Assignments>> C :: 173.666 CA :: 60.341 CB :: 31.686 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 :: 8.139 HA :: 4.376 HB :: 2.185 HG11 :: 1.039 HG12 :: 1.039 HG13 :: 1.039 HG21 :: 0.947 HG22 :: 0.947 HG23 :: 0.947 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 :: 121.567 Ave N Shift Values>> N :: 121.14(4.54) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.4 V 0.38 C 0.15 I 0.01 C Shift Assignments>> C :: 176.958 CA :: 63.000 CB :: 32.034 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 :: 4.680 HB2 :: 2.329 HB3 :: 1.800 HG2 :: 2.059 HG3 :: 1.926 HD2 :: 3.629 HD3 :: 3.891 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.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 C 0.17 Y 0.16 F 0.14 C Shift Assignments>> C :: 176.272 CA :: 61.776 CB :: 38.505 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 :: 7.845 HA :: 3.981 HB :: 1.632 HG12 :: 0.969 HG13 :: 1.316 HG21 :: 0.788 HG22 :: 0.788 HG23 :: 0.788 HD11 :: 0.733 HD12 :: 0.733 HD13 :: 0.733 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 :: 121.296 Ave N Shift Values>> N :: 121.46(4.28) 1.S46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D20 1.D20 C Shift Assignments>> C :: 173.792 CA :: 58.079 CB :: 63.976 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.163 HA :: 4.438 HB2 :: 3.804 HB3 :: 3.769 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 :: 119.156 Ave N Shift Values>> N :: 116.28(3.52) 1.Y47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.25 C 0.19 I 0.12 E 0.03 D 0.03 L 0.02 N 0.02 M 0.01 C Shift Assignments>> C :: 175.362 CA :: 57.901 CB :: 38.599 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 :: 8.221 HA :: 4.604 HB2 :: 2.944 HB3 :: 3.091 HD1 :: 7.136 HD2 :: 7.122 HE1 :: 6.820 HE2 :: 6.803 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 :: 122.585 Ave N Shift Values>> N :: 120.52(4.2) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.22 K 0.16 R 0.11 F 0.07 Y 0.04 C 0.04 N 0.03 C Shift Assignments>> C :: 179.131 CA :: 54.633 CB :: 42.191 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 :: 8.100 HA :: 4.323 HB2 :: 1.616 HB3 :: 1.616 HG :: 1.533 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 HD21 :: 0.859 HD22 :: 0.859 HD23 :: 0.859 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 :: 124.719 Ave N Shift Values>> N :: 121.86(3.9) ########################################################################### Overall Results: #Consistent: 42 #Clerical: 3 #Suspicious: 2 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 47 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 48 #Suspicious: 0 C Shift Results: #Consistent: 138 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 317 #Duplicate: 0 #Unknown: 12 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 49 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.K6 HZ1 = 7.543(U) 1.K6 HZ2 = 7.543(U) 1.K6 HZ3 = 7.543(U) 1.N14 N = 104.151(S), Expected = 118.93, Std = 4.0300, ChiSquare = 2.4518e-04 1.K18 HZ1 = 7.142(U) 1.K18 HZ2 = 7.142(U) 1.K18 HZ3 = 7.142(U) 1.D20 HB2 = 3.783(S), Expected = 2.72, Std = 0.2600, ChiSquare = 4.3424e-05 1.D20 HB3 = 3.783(S), Expected = 2.66, Std = 0.2800, ChiSquare = 6.0535e-05 1.K22 HZ1 = 7.670(U) 1.K22 HZ2 = 7.670(U) 1.K22 HZ3 = 7.670(U) 1.K30 Typing: Mistyped 1.K30 CB = 38.840(S), Expected = 32.79, Std = 1.7800, ChiSquare = 6.7663e-04 1.K30 HZ1 = 7.568(U) 1.K30 HZ2 = 7.568(U) 1.K30 HZ3 = 7.568(U)