Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 175.063 CA :: 58.655 CB :: 63.644 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.501 HB2 :: 3.896 HB3 :: 3.896 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.934 CA :: 45.373 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.473 HA2 :: 3.967 HA3 :: 3.967 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.113 Ave N Shift Values>> N :: 109.91(4.29) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.2 C 0.02 C Shift Assignments>> C :: 177.902 CA :: 52.548 CB :: 19.403 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.197 HA :: 4.342 HB1 :: 1.379 HB2 :: 1.379 HB3 :: 1.379 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.788 Ave N Shift Values>> N :: 123.23(3.7) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 M 0.09 K 0.08 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.646 CA :: 56.763 CB :: 30.161 CG :: 36.360 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.524 HA :: 4.308 HB2 :: 2.077 HB3 :: 1.951 HG2 :: 2.283 HG3 :: 2.283 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.004 Ave N Shift Values>> N :: 120.68(3.68) 1.S10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T147 1.T147 C Shift Assignments>> C :: 174.267 CA :: 58.426 CB :: 63.933 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.305 HA :: 4.429 HB2 :: 3.854 HB3 :: 3.854 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.268 Ave N Shift Values>> N :: 116.3(3.95) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.14 K 0.05 Q 0.04 I 0.03 HN Overlap>> 1.Q144 1.Q144 C Shift Assignments>> C :: 175.800 CA :: 56.233 CB :: 30.692 CG :: 36.278 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.368 HA :: 4.367 HB2 :: 1.867 HB3 :: 1.999 HG2 :: 2.206 HG3 :: 2.206 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.435 Ave N Shift Values>> N :: 120.68(3.68) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.309 CA :: 58.355 CB :: 64.573 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.299 HA :: 4.457 HB2 :: 3.678 HB3 :: 3.678 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.596 Ave N Shift Values>> N :: 116.3(3.95) 1.F13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.33 G 0.03 C Shift Assignments>> C :: 174.500 CA :: 56.851 CB :: 42.542 CD1 :: 131.306 CD2 :: 131.306 CE1 :: 131.260 CE2 :: 131.260 CZ :: 129.861 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.346 HA :: 5.384 HB2 :: 2.900 HB3 :: 2.704 HD1 :: 7.039 HD2 :: 7.039 HE1 :: 7.193 HE2 :: 7.193 HZ :: 7.181 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.293 Ave N Shift Values>> N :: 120.69(4.18) 1.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 V 0.3 I 0.02 C Shift Assignments>> C :: 174.668 CA :: 60.141 CB :: 36.318 CG1 :: 21.583 CG2 :: 20.147 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.313 HA :: 4.455 HB :: 2.036 HG11 :: 0.876 HG12 :: 0.876 HG13 :: 0.876 HG21 :: 0.802 HG22 :: 0.802 HG23 :: 0.802 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.020 Ave N Shift Values>> N :: 121.02(4.96) 1.L15 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.53 C 0.42 A 0.03 C Shift Assignments>> C :: 177.001 CA :: 54.800 CB :: 39.816 CG :: 26.131 CD1 :: 26.139 CD2 :: 23.197 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.476 HA :: 4.403 HB2 :: 1.575 HB3 :: 0.378(S) HG :: 1.793 HD11 :: 0.728 HD12 :: 0.728 HD13 :: 0.728 HD21 :: 0.908 HD22 :: 0.908 HD23 :: 0.908 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.725 Ave N Shift Values>> N :: 121.98(4.07) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.25 C 0.11 K 0.1 R 0.1 N 0.07 F 0.04 Y 0.03 G 0.01 C Shift Assignments>> C :: 174.640 CA :: 52.828 CB :: 42.268 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.766 HA :: 5.081 HB2 :: 2.231 HB3 :: 2.939 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 126.576 Ave N Shift Values>> N :: 120.73(4.2) 1.F17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 F 0.24 C Shift Assignments>> C :: 173.746 CA :: 55.489 CB :: 39.154 CD1 :: 133.987 CD2 :: 133.987 CE1 :: 130.899 CE2 :: 130.899 CZ :: 130.025 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.915 HA :: 4.938 HB2 :: 3.669 HB3 :: 3.233 HD1 :: 7.446 HD2 :: 7.446 HE1 :: 7.073 HE2 :: 7.073 HZ :: 7.313 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.958 Ave N Shift Values>> N :: 120.69(4.18) 1.S18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.437 CA :: 57.046 CB :: 63.974 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.569 HA :: 4.670 HB2 :: 3.937 HB3 :: 3.937 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.977 Ave N Shift Values>> N :: 116.3(3.95) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 K 0.26 Q 0.24 R 0.14 M 0.04 E 0.02 C Shift Assignments>> C :: 177.642 CA :: 54.023 CB :: 27.994 CG :: 33.000 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.033 HA :: 4.558 HB2 :: 2.071 HB3 :: 2.325 HG2 :: 2.637 HG3 :: 2.637 HE21 :: 7.770 HE22 :: 7.039 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.586 NE2 :: 112.251 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.42 C Shift Assignments>> C :: 178.374 CA :: 65.836 CB :: 32.556 CG :: 29.100 CD :: 50.943 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.370 HB2 :: 2.663 HB3 :: 2.520 HG2 :: 2.372 HG3 :: 2.372 HD2 :: 3.374 HD3 :: 4.418 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.423 CA :: 58.886 CB :: 62.401 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.216 HA :: 3.271 HB2 :: 3.505 HB3 :: 2.914 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 104.386 Ave N Shift Values>> N :: 116.3(3.95) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 177.624 CA :: 53.968 CB :: 18.504 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.700 HA :: 4.198 HB1 :: 1.527 HB2 :: 1.527 HB3 :: 1.527 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.008 Ave N Shift Values>> N :: 123.23(3.7) 1.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.28 C 0.12 L 0.11 F 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 175.032 CA :: 52.151 CB :: 40.592 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.080 HA :: 4.893 HB2 :: 2.484 HB3 :: 3.282 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.789 Ave N Shift Values>> N :: 120.73(4.2) 1.Y24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.66 C 0.33 HN Overlap>> 1.L140 1.L140 C Shift Assignments>> C :: 177.434 CA :: 61.711 CB :: 38.456 CD1 :: 133.370 CD2 :: 133.370 CE1 :: 118.149 CE2 :: 118.149 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.217 HA :: 4.196 HB2 :: 3.277 HB3 :: 3.017 HD1 :: 7.199 HD2 :: 7.199 HE1 :: 6.871 HE2 :: 6.871 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.295 Ave N Shift Values>> N :: 120.79(4.69) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.37 R 0.03 HN Overlap>> 1.N29 1.N29 C Shift Assignments>> C :: 178.768 CA :: 57.691 CB :: 41.388 CG :: 27.046 CD1 :: 23.846 CD2 :: 24.603 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.074 HA :: 3.967 HB2 :: 1.716 HB3 :: 1.594 HG :: 1.618 HD11 :: 0.916 HD12 :: 0.916 HD13 :: 0.916 HD21 :: 0.968 HD22 :: 0.968 HD23 :: 0.968 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.429 Ave N Shift Values>> N :: 121.98(4.07) 1.D26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.19 K 0.13 C 0.12 F 0.09 Y 0.07 D 0.04 G 0.02 I 0.01 C Shift Assignments>> C :: 177.657 CA :: 57.625 CB :: 42.955 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.561 HA :: 4.367 HB2 :: 2.656 HB3 :: 2.616 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.881 Ave N Shift Values>> N :: 120.73(4.2) 1.F27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 F 0.47 C Shift Assignments>> C :: 176.662 CA :: 61.323 CB :: 39.606 CD1 :: 132.091 CD2 :: 132.091 CE1 :: 128.014 CE2 :: 128.014 CZ :: 131.042 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.750 HA :: 4.088 HB2 :: 3.473 HB3 :: 3.009 HD1 :: 7.246 HD2 :: 7.246 HE1 :: 6.962 HE2 :: 6.962 HZ :: 7.253 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.946 Ave N Shift Values>> N :: 120.69(4.18) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.35 K 0.1 G 0.08 L 0.03 C Shift Assignments>> C :: 179.306 CA :: 59.051 CB :: 29.516 CG :: 26.863 CD :: 43.331 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.079 HA :: 3.590 HB2 :: 1.790 HB3 :: 1.790 HG2 :: 1.456 HG3 :: 1.656 HD2 :: 3.065 HD3 :: 3.065 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.744 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.N29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Y 0.18 E 0.14 N 0.12 F 0.11 D 0.05 I 0.03 M 0.03 L 0.01 K 0.01 HN Overlap>> 1.L25 1.L25 C Shift Assignments>> C :: 178.555 CA :: 55.861 CB :: 37.622 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.106 HA :: 4.361 HB2 :: 3.062 HB3 :: 2.813 HD21 :: 7.709 HD22 :: 6.770 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.381 ND2 :: 111.573 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 C 0.37 R 0.17 HN Overlap>> 1.R134 1.R134 C Shift Assignments>> C :: 178.651 CA :: 59.708 CB :: 30.910 CG :: 27.502 CD :: 45.058 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.640 HA :: 3.912 HB2 :: 1.816 HB3 :: 2.224 HG2 :: 1.648 HG3 :: 1.903 HD2 :: 3.330 HD3 :: 2.983 HE :: 7.758 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.244 NE :: 85.526 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.37 R 0.02 C Shift Assignments>> C :: 178.698 CA :: 58.049 CB :: 41.342 CG :: 26.755 CD1 :: 24.434 CD2 :: 24.466 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.988 HA :: 3.409 HB2 :: 1.135 HB3 :: 1.205 HG :: 1.010 HD11 :: 0.312 HD12 :: 0.312 HD13 :: 0.312 HD21 :: 0.199 HD22 :: 0.199 HD23 :: 0.199 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.911 Ave N Shift Values>> N :: 121.98(4.07) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.24 K 0.24 E 0.12 R 0.06 M 0.03 I 0.01 C Shift Assignments>> C :: 176.457 CA :: 58.019 CB :: 28.679 CG :: 33.865 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.416 HA :: 3.891 HB2 :: 2.039 HB3 :: 2.039 HG2 :: 2.316 HG3 :: 2.420 HE21 :: 7.395 HE22 :: 6.836 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 114.904 NE2 :: 111.557 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.55 M 0.34 C 0.04 L 0.03 V 0.01 C Shift Assignments>> C :: 178.303 CA :: 54.057 CB :: 19.921 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.791 HA :: 4.099 HB1 :: 1.356 HB2 :: 1.356 HB3 :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.088 Ave N Shift Values>> N :: 123.23(3.7) 1.D34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.23 K 0.18 D 0.17 R 0.11 C 0.1 F 0.08 Y 0.06 N 0.02 C Shift Assignments>> C :: 177.531 CA :: 55.153 CB :: 41.976 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.662 HA :: 4.698 HB2 :: 3.097 HB3 :: 2.926 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.377 Ave N Shift Values>> N :: 120.73(4.2) 1.H35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.37 C 0.33 H 0.28 C Shift Assignments>> C :: 171.507 CA :: 58.336 CB :: 26.472 CD2 :: 121.886 CE1 :: 137.246 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.018 HA :: 4.543 HB2 :: 3.370 HB3 :: 2.983 HD2 :: 6.300 HE1 :: 8.318 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 108.110 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 V 0.07 A 0.02 I 0.01 C Shift Assignments>> C :: 171.953 CA :: 58.549 CB :: 33.135 CG1 :: 17.674 CG2 :: 22.696 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.065 HA :: 4.867 HB :: 2.201 HG11 :: 0.833 HG12 :: 0.833 HG13 :: 0.833 HG21 :: 0.611 HG22 :: 0.611 HG23 :: 0.611 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 115.529 Ave N Shift Values>> N :: 121.02(4.96) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.18 W 0.15 C 0.14 E 0.11 K 0.09 Q 0.08 R 0.07 H 0.07 V 0.03 M 0.01 C Shift Assignments>> C :: 173.445 CA :: 59.979 CB :: 29.016 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.694 HA :: 4.594 HB2 :: 2.396 HB3 :: 2.084 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 124.685 Ave N Shift Values>> N :: 119.95(4.79) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.34 R 0.09 G 0.01 C Shift Assignments>> C :: 173.188 CA :: 57.958 CB :: 42.189 CG :: 26.785 CD1 :: 24.473 CD2 :: 25.516 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.625 HA :: 4.167 HB2 :: 2.030 HB3 :: 1.230 HG :: 1.349 HD11 :: 1.040 HD12 :: 1.040 HD13 :: 1.040 HD21 :: 0.080 HD22 :: 0.080 HD23 :: 0.080 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 132.291 Ave N Shift Values>> N :: 121.98(4.07) 1.E39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.33 M 0.19 I 0.03 Q 0.02 K 0.01 HN Overlap>> 1.M67 1.M67 C Shift Assignments>> C :: 175.300 CA :: 57.435 CB :: 31.891 CG :: 36.196 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.267 HA :: 4.521 HB2 :: 2.365 HB3 :: 1.753 HG2 :: 1.953 HG3 :: 1.751 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.988 Ave N Shift Values>> N :: 120.68(3.68) 1.N40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 G 0.17 D 0.16 R 0.14 C 0.13 K 0.03 N 0.02 F 0.02 Y 0.01 C Shift Assignments>> C :: 173.918 CA :: 52.151 CB :: 43.324 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 7.757 HA :: 5.353 HB2 :: 2.610 HB3 :: 2.565 HD21 :: 7.449 HD22 :: 6.602 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.109 ND2 :: 112.904 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 E 0.14 C 0.14 R 0.12 H 0.1 Q 0.08 K 0.06 I 0.06 M 0.04 V 0.04 C Shift Assignments>> C :: 171.600 CA :: 58.934 CB :: 30.293 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.646 HA :: 5.167 HB2 :: 3.052 HB3 :: 2.983 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.861 Ave N Shift Values>> N :: 119.95(4.79) 1.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 V 0.45 C Shift Assignments>> C :: 173.645 CA :: 60.463 CB :: 35.496 CG1 :: 20.875 CG2 :: 20.451 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.532 HA :: 4.454 HB :: 1.976 HG11 :: 0.854 HG12 :: 0.854 HG13 :: 0.854 HG21 :: 0.850 HG22 :: 0.850 HG23 :: 0.850 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.721 Ave N Shift Values>> N :: 121.02(4.96) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.23 R 0.16 G 0.1 C Shift Assignments>> C :: 176.151 CA :: 54.209 CB :: 43.450 CG :: 27.718 CD1 :: 25.754 CD2 :: 25.396 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.597 HA :: 5.050 HB2 :: 1.783 HB3 :: 1.437 HG :: 1.579 HD11 :: 0.806 HD12 :: 0.806 HD13 :: 0.806 HD21 :: 0.832 HD22 :: 0.832 HD23 :: 0.832 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.183 Ave N Shift Values>> N :: 121.98(4.07) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.37 R 0.13 M 0.02 C Shift Assignments>> C :: 175.176 CA :: 55.033 CB :: 34.147 CG :: 24.629 CD :: 29.270 CE :: 41.958 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.726 HA :: 4.552 HB2 :: 1.842 HB3 :: 1.565 HG2 :: 1.290 HG3 :: 1.290 HD2 :: 1.586 HD3 :: 1.586 HE2 :: 2.831 HE3 :: 2.831 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.086 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.21 F 0.21 C 0.18 D 0.14 L 0.09 N 0.06 I 0.04 K 0.03 E 0.01 C Shift Assignments>> C :: 175.339 CA :: 56.515 CB :: 39.782 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.876 HA :: 4.321 HB2 :: 2.693 HB3 :: 2.819 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 123.045 Ave N Shift Values>> N :: 120.73(4.2) 1.K46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.31 R 0.28 M 0.02 G 0.01 C Shift Assignments>> C :: 174.615 CA :: 56.158 CB :: 30.929 CG :: 25.068 CD :: 29.107 CE :: 42.262 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.620 HA :: 4.079 HB2 :: 2.095 HB3 :: 1.808 HG2 :: 1.459 HG3 :: 1.359 HD2 :: 1.721 HD3 :: 1.653 HE2 :: 2.956 HE3 :: 2.956 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.201 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 A 0.23 C 0.15 M 0.12 K 0.05 C Shift Assignments>> C :: 175.508 CA :: 51.809 CB :: 22.739 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.611 HA :: 5.105 HB1 :: 1.269 HB2 :: 1.269 HB3 :: 1.269 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.283 Ave N Shift Values>> N :: 123.23(3.7) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.51 C 0.45 A 0.01 G 0.01 HN Overlap>> 1.T71 1.T71 C Shift Assignments>> C :: 172.954 CA :: 59.017 CB :: 41.811 CG1 :: 26.919 CG2 :: 18.107 CD1 :: 14.432 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.819 HA :: 5.230 HB :: 1.591 HG12 :: 1.583 HG13 :: 0.831 HG21 :: 0.794 HG22 :: 0.794 HG23 :: 0.794 HD11 :: 0.494 HD12 :: 0.494 HD13 :: 0.494 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 114.639 Ave N Shift Values>> N :: 121.6(4.72) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.38 L 0.27 C 0.21 M 0.08 K 0.02 C Shift Assignments>> C :: 175.812 CA :: 50.095 CB :: 22.651 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.652 HA :: 4.769 HB1 :: 1.224 HB2 :: 1.224 HB3 :: 1.224 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.155 Ave N Shift Values>> N :: 123.23(3.7) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 172.510 CA :: 46.134 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.754 HA2 :: 3.803 HA3 :: 4.077 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.980 Ave N Shift Values>> N :: 109.91(4.29) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 T 0.21 C Shift Assignments>> C :: 174.087 CA :: 59.116 CB :: 72.737 CG2 :: 23.607 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.556 HA :: 5.588 HB :: 4.182 HG21 :: 1.008 HG22 :: 1.008 HG23 :: 1.008 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 108.648 Ave N Shift Values>> N :: 115.7(5.05) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 V 0.27 I 0.01 C Shift Assignments>> C :: 174.687 CA :: 61.371 CB :: 36.986 CG1 :: 22.835 CG2 :: 21.840 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.746 HA :: 4.463 HB :: 1.848 HG11 :: 0.750 HG12 :: 0.750 HG13 :: 0.750 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.025 Ave N Shift Values>> N :: 121.02(4.96) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.4 G 0.04 K 0.04 C Shift Assignments>> C :: 174.697 CA :: 53.668 CB :: 37.855 CG :: 26.129 CD :: 29.620 CE :: 42.625 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.567 HA :: 5.599 HB2 :: 1.616 HB3 :: 1.905 HG2 :: 1.544 HG3 :: 1.613 HD2 :: 1.788 HD3 :: 1.550 HE2 :: 2.827 HE3 :: 2.931 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.115 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.7 V 0.22 A 0.06 C Shift Assignments>> C :: 176.105 CA :: 57.682 CB :: 34.634 CG1 :: 21.565 CG2 :: 19.462 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.498 HA :: 4.825 HB :: 1.565 HG11 :: -0.068(S) HG12 :: -0.068(S) HG13 :: -0.068(S) HG21 :: 0.496 HG22 :: 0.496 HG23 :: 0.496 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 110.661 Ave N Shift Values>> N :: 121.02(4.96) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.22 E 0.19 K 0.15 M 0.14 R 0.01 HN Overlap>> 1.E112 1.E112 C Shift Assignments>> C :: 176.800 CA :: 56.023 CB :: 30.216 CG :: 34.547 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.924 HA :: 4.456 HB2 :: 1.989 HB3 :: 1.989 HG2 :: 2.157 HG3 :: 2.339 HE21 :: 6.862 HE22 :: 7.671 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.414 NE2 :: 112.661 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.39 C 0.28 E 0.08 Y 0.07 M 0.06 D 0.03 F 0.03 K 0.01 C Shift Assignments>> C :: 174.747 CA :: 53.190 CB :: 36.855 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.837 HA :: 4.575 HB2 :: 2.970 HB3 :: 2.531 HD21 :: 6.713 HD22 :: 7.755 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 125.676 ND2 :: 110.959 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.47 C 0.24 G 0.12 R 0.08 A 0.05 C Shift Assignments>> C :: 176.186 CA :: 55.224 CB :: 43.634 CG :: 27.061 CD1 :: 25.248 CD2 :: 22.323 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 7.284 HA :: 4.326 HB2 :: 1.931 HB3 :: 1.519 HG :: 1.459 HD11 :: 0.553 HD12 :: 0.553 HD13 :: 0.553 HD21 :: 0.703 HD22 :: 0.703 HD23 :: 0.703 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.779 Ave N Shift Values>> N :: 121.98(4.07) 1.A58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.68 M 0.15 L 0.08 C 0.06 C Shift Assignments>> C :: 175.847 CA :: 51.687 CB :: 21.122 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.724 HA :: 4.343 HB1 :: 1.376 HB2 :: 1.376 HB3 :: 1.376 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.342 Ave N Shift Values>> N :: 123.23(3.7) 1.F59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.66 C 0.33 C Shift Assignments>> C :: 176.670 CA :: 60.105 CB :: 40.386 CD1 :: 131.770 CD2 :: 131.770 CE1 :: 131.648 CE2 :: 131.648 CZ :: 130.050 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.231 HA :: 4.428 HB2 :: 3.116 HB3 :: 3.150 HD1 :: 7.277 HD2 :: 7.277 HE1 :: 7.361 HE2 :: 7.361 HZ :: 7.293 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.235 Ave N Shift Values>> N :: 120.69(4.18) 1.E60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 K 0.1 I 0.08 M 0.04 Q 0.04 C Shift Assignments>> C :: 175.584 CA :: 57.134 CB :: 29.569 CG :: 36.387 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.482 HA :: 4.306 HB2 :: 2.050 HB3 :: 2.050 HG2 :: 2.336 HG3 :: 2.336 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.295 Ave N Shift Values>> N :: 120.68(3.68) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.37 K 0.06 G 0.04 M 0.01 C Shift Assignments>> C :: 175.510 CA :: 55.939 CB :: 37.890 CG :: 24.765 CD :: 29.963 CE :: 42.773 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.377 HA :: 5.038 HB2 :: 2.008 HB3 :: 1.822 HG2 :: 1.806 HG3 :: 1.729 HD2 :: 1.851 HD3 :: 2.006 HE2 :: 3.303 HE3 :: 3.303 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.512 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 172.156 CA :: 62.340 CB :: 71.605 CG2 :: 22.048 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.285 HA :: 4.435 HB :: 4.074 HG21 :: 1.184 HG22 :: 1.184 HG23 :: 1.184 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.107 Ave N Shift Values>> N :: 115.7(5.05) 1.V63 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.52 C 0.46 C Shift Assignments>> C :: 174.313 CA :: 60.707 CB :: 35.210 CG1 :: 21.428 CG2 :: 21.820 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.719 HA :: 4.755 HB :: 0.823(S) HG11 :: 0.459 HG12 :: 0.459 HG13 :: 0.459 HG21 :: -0.328(S) HG22 :: -0.328(S) HG23 :: -0.328(S) Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.402 Ave N Shift Values>> N :: 121.02(4.96) 1.K64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.47 C 0.41 K 0.07 G 0.03 C Shift Assignments>> C :: 173.348 CA :: 54.850 CB :: 37.343 CG :: 25.895 CD :: 30.155 CE :: 42.546 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.519 HA :: 4.997 HB2 :: 1.097 HB3 :: 0.530(S) HG2 :: 1.107 HG3 :: 0.878 HD2 :: 1.434 HD3 :: 1.326 HE2 :: 2.706 HE3 :: 2.706 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.629 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 I 0.32 A 0.04 C Shift Assignments>> C :: 174.893 CA :: 57.894 CB :: 37.638 CG1 :: 26.633 CG2 :: 17.604 CD1 :: 10.340 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.637 HA :: 4.451 HB :: 1.714 HG12 :: 0.044 HG13 :: 0.850 HG21 :: 0.332 HG22 :: 0.332 HG23 :: 0.332 HD11 :: -0.195 HD12 :: -0.195 HD13 :: -0.195 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.250 Ave N Shift Values>> N :: 121.6(4.72) 1.R66 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.4 C 0.35 K 0.19 G 0.03 C Shift Assignments>> C :: 174.161 CA :: 55.930 CB :: 31.514 CG :: 26.619 CD :: 42.911 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.244 HA :: 5.440 HB2 :: 1.996 HB3 :: 2.103 HG2 :: 1.791 HG3 :: 1.644 HD2 :: 2.798 HD3 :: 1.948(S) HE :: 9.891(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 130.193 NE :: 86.499 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) SRO Rule Breaks>> (HD3 > HB2 : 0.9950) (HD3 > HB3 : 0.9958) 1.M67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.44 C 0.36 M 0.17 I 0.01 HN Overlap>> 1.E39 1.E39 C Shift Assignments>> C :: 173.432 CA :: 54.217 CB :: 37.533 CG :: 32.149 CE :: 17.831 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.343 HA :: 5.318 HB2 :: 2.138 HB3 :: 1.724 HG2 :: 1.728 HG3 :: 2.012 HE1 :: 1.545 HE2 :: 1.545 HE3 :: 1.545 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 128.046 Ave N Shift Values>> N :: 120.1(3.88) 1.T68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.73 A 0.21 T 0.05 C Shift Assignments>> C :: 170.783 CA :: 58.903 CB :: 71.091 CG2 :: 16.523(S) Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.474 HA :: 3.948 HB :: 2.695(S) HG21 :: -0.300(S) HG22 :: -0.300(S) HG23 :: -0.300(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.404 Ave N Shift Values>> N :: 115.7(5.05) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 174.951 CA :: 55.772 CB :: 39.748 CD1 :: 132.120 CD2 :: 132.120 CE1 :: 130.701 CE2 :: 130.701 CZ :: 128.972 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.910 HA :: 4.783 HB2 :: 3.334 HB3 :: 2.619 HD1 :: 7.122 HD2 :: 7.122 HE1 :: 7.256 HE2 :: 7.256 HZ :: 7.217 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.029 Ave N Shift Values>> N :: 120.69(4.18) 1.D70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.3 C 0.12 L 0.08 F 0.05 Y 0.05 K 0.01 C Shift Assignments>> C :: 177.065 CA :: 52.288 CB :: 40.026 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.841 HA :: 4.661 HB2 :: 2.850 HB3 :: 2.362 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.457 Ave N Shift Values>> N :: 120.73(4.2) 1.T71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 S 0.1 T 0.1 HN Overlap>> 1.I48 1.I48 C Shift Assignments>> C :: 173.648 CA :: 63.824 CB :: 66.535 CG2 :: 25.281 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.724 HA :: 3.181 HB :: 4.632 HG21 :: 1.458 HG22 :: 1.458 HG23 :: 1.458 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.661 Ave N Shift Values>> N :: 115.7(5.05) 1.W72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 W 0.42 C Shift Assignments>> C :: 176.875 CA :: 58.910 CB :: 24.332 CD1 :: 126.908 CE3 :: 120.462 CZ2 :: 114.387 CZ3 :: 120.443 CH2 :: 123.448 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.854 HA :: 3.951 HB2 :: 3.612 HB3 :: 3.612 HD1 :: 6.897 HE1 :: 10.996 HE3 :: 7.540 HZ2 :: 6.893 HZ3 :: 6.479 HH2 :: 7.033 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 111.097 NE1 :: 132.501 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.39 R 0.16 M 0.01 C Shift Assignments>> C :: 177.622 CA :: 60.463 CB :: 31.024 CG :: 25.459 CD :: 29.225 CE :: 41.473 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.785 HA :: 4.174 HB2 :: 1.792 HB3 :: 1.792 HG2 :: 1.503 HG3 :: 1.720 HD2 :: 1.851 HD3 :: 1.750 HE2 :: 3.095 HE3 :: 3.095 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.701 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.86 T 0.13 C Shift Assignments>> C :: 171.956 CA :: 57.539 CB :: 66.372 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.002 HA :: 4.556 HB2 :: 3.821 HB3 :: 3.821 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.041 Ave N Shift Values>> N :: 116.3(3.95) 1.Y75 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 :: 174.262 CA :: 57.155 CB :: 40.745 CD1 :: 133.592 CD2 :: 133.592 CE1 :: 118.174 CE2 :: 118.174 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.735 HA :: 5.229 HB2 :: 2.862 HB3 :: 3.100 HD1 :: 6.941 HD2 :: 6.941 HE1 :: 6.800 HE2 :: 6.800 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 113.320 Ave N Shift Values>> N :: 120.79(4.69) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 171.344 CA :: 62.104 CB :: 72.675 CG2 :: 21.414 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.212 HA :: 4.318 HB :: 3.643 HG21 :: 0.483 HG22 :: 0.483 HG23 :: 0.483 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.158 Ave N Shift Values>> N :: 115.7(5.05) 1.D77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.33 L 0.19 N 0.14 C 0.11 K 0.08 F 0.04 Y 0.03 R 0.03 C Shift Assignments>> C :: 175.921 CA :: 52.422 CB :: 41.512 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.569 HA :: 5.865(S) HB2 :: 2.689 HB3 :: 2.159 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 125.875 Ave N Shift Values>> N :: 120.73(4.2) 1.F78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.59 C 0.4 C Shift Assignments>> C :: 173.610 CA :: 55.578 CB :: 40.375 CD1 :: 132.483 CD2 :: 132.483 CE1 :: 131.357 CE2 :: 131.357 CZ :: 129.637 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.992 HA :: 4.943 HB2 :: 2.782 HB3 :: 3.156 HD1 :: 7.328 HD2 :: 7.328 HE1 :: 7.370 HE2 :: 7.370 HZ :: 7.415 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.666 Ave N Shift Values>> N :: 120.69(4.18) 1.P79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.681 CA :: 63.363 CB :: 32.787 CG :: 27.429 CD :: 50.905 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.615 HB2 :: 2.100 HB3 :: 2.367 HG2 :: 2.149 HG3 :: 2.315 HD2 :: 4.091 HD3 :: 3.973 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.C80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 R 0.14 E 0.14 C 0.13 H 0.12 Q 0.09 M 0.07 K 0.07 V 0.02 I 0.02 C Shift Assignments>> C :: 174.899 CA :: 57.675 CB :: 30.658 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.308 HA :: 5.242 HB2 :: 2.727 HB3 :: 2.957 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.289 Ave N Shift Values>> N :: 119.95(4.79) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.3 C 0.27 Q 0.21 E 0.11 K 0.08 C Shift Assignments>> C :: 175.035 CA :: 54.620 CB :: 31.213 CG :: 34.078 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.312 HA :: 4.911 HB2 :: 2.103 HB3 :: 2.103 HG2 :: 2.419 HG3 :: 2.470 HE21 :: 7.622 HE22 :: 6.809 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.188 NE2 :: 112.462 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 175.413 CA :: 58.764 CB :: 38.346 CD1 :: 132.674 CD2 :: 132.674 CE1 :: 118.016 CE2 :: 118.016 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.919 HA :: 3.403 HB2 :: 2.790 HB3 :: 2.641 HD1 :: 6.574 HD2 :: 6.574 HE1 :: 6.636 HE2 :: 6.636 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 125.814 Ave N Shift Values>> N :: 120.79(4.69) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 173.771 CA :: 61.693 CB :: 32.564 CG1 :: 20.911 CG2 :: 21.124 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.782 HA :: 3.758 HB :: 1.616 HG11 :: 0.701 HG12 :: 0.701 HG13 :: 0.701 HG21 :: 0.742 HG22 :: 0.742 HG23 :: 0.742 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.316 Ave N Shift Values>> N :: 121.02(4.96) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.35 R 0.2 M 0.03 C Shift Assignments>> C :: 175.610 CA :: 56.144 CB :: 32.170 CG :: 25.067 CD :: 29.354 CE :: 42.130 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.174 HA :: 4.016 HB2 :: 1.628 HB3 :: 1.785 HG2 :: 1.413 HG3 :: 1.380 HD2 :: 1.718 HD3 :: 1.718 HE2 :: 3.015 HE3 :: 3.015 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 126.665 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.22 K 0.12 C 0.1 N 0.09 R 0.05 F 0.05 Y 0.04 C Shift Assignments>> C :: 176.841 CA :: 53.349 CB :: 41.683 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.864 HA :: 4.678 HB2 :: 2.672 HB3 :: 2.765 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.262 Ave N Shift Values>> N :: 120.73(4.2) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.589 CA :: 63.274 CB :: 69.257 CG2 :: 21.393 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.065 HA :: 4.086 HB :: 4.003 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.656 Ave N Shift Values>> N :: 115.7(5.05) 1.Y87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 175.590 CA :: 58.054 CB :: 38.297 CD1 :: 133.356 CD2 :: 133.356 CE1 :: 118.199 CE2 :: 118.199 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.064 HA :: 4.527 HB2 :: 3.192 HB3 :: 2.922 HD1 :: 7.148 HD2 :: 7.148 HE1 :: 6.805 HE2 :: 6.805 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.837 Ave N Shift Values>> N :: 120.79(4.69) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.7 M 0.25 C 0.02 C Shift Assignments>> C :: 178.497 CA :: 53.104 CB :: 19.127 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.963 HA :: 4.389 HB1 :: 1.471 HB2 :: 1.471 HB3 :: 1.471 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.226 Ave N Shift Values>> N :: 123.23(3.7) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.563 CA :: 45.426 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.479 HA2 :: 3.952 HA3 :: 4.079 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.029 Ave N Shift Values>> N :: 109.91(4.29) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.T143 1.T143 C Shift Assignments>> C :: 174.212 CA :: 58.443 CB :: 63.865 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.232 HA :: 4.574 HB2 :: 4.073 HB3 :: 3.945 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.638 Ave N Shift Values>> N :: 116.3(3.95) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.16 C 0.12 F 0.12 Y 0.1 N 0.1 K 0.09 R 0.01 C Shift Assignments>> C :: 176.350 CA :: 55.012 CB :: 40.643 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.691 HA :: 4.684 HB2 :: 2.736 HB3 :: 2.821 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.185 Ave N Shift Values>> N :: 120.73(4.2) 1.R92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.32 G 0.13 K 0.12 C Shift Assignments>> C :: 174.072 CA :: 54.941 CB :: 32.816 CG :: 26.376 CD :: 43.669 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.072 HA :: 5.022 HB2 :: 1.631 HB3 :: 1.673 HG2 :: 1.487 HG3 :: 1.487 HD2 :: 2.904 HD3 :: 2.904 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 119.690 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.12 L 0.1 R 0.01 C Shift Assignments>> C :: 174.776 CA :: 53.411 CB :: 46.005 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.550 HA :: 5.108 HB2 :: 2.627 HB3 :: 2.627 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.716 Ave N Shift Values>> N :: 120.73(4.2) 1.T94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 171.982 CA :: 62.287 CB :: 70.008 CG2 :: 22.018 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.932 HA :: 5.232 HB :: 3.821 HG21 :: 1.229 HG22 :: 1.229 HG23 :: 1.229 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.481 Ave N Shift Values>> N :: 115.7(5.05) 1.F95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.53 C 0.29 G 0.16 C Shift Assignments>> C :: 174.780 CA :: 55.834 CB :: 43.478 CD1 :: 131.235 CD2 :: 131.235 CE1 :: 131.207 CE2 :: 131.207 CZ :: 129.997 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.347 HA :: 5.321 HB2 :: 2.596 HB3 :: 2.684 HD1 :: 6.852 HD2 :: 6.852 HE1 :: 7.192 HE2 :: 7.192 HZ :: 7.137 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.488 Ave N Shift Values>> N :: 120.69(4.18) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.6 T 0.39 C Shift Assignments>> C :: 173.079 CA :: 56.388 CB :: 67.188 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.108 HA :: 5.575 HB2 :: 4.054 HB3 :: 3.565 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.417 Ave N Shift Values>> N :: 116.3(3.95) 1.F97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.61 C 0.36 G 0.01 C Shift Assignments>> C :: 174.316 CA :: 56.003 CB :: 42.008 CD1 :: 132.499 CD2 :: 132.499 CE1 :: 129.889 CE2 :: 129.889 CZ :: 129.323 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.991 HA :: 5.249 HB2 :: 3.558 HB3 :: 2.739 HD1 :: 6.693 HD2 :: 6.693 HE1 :: 6.704 HE2 :: 6.704 HZ :: 6.920 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 114.813 Ave N Shift Values>> N :: 120.69(4.18) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.26 D 0.17 K 0.16 R 0.14 C 0.1 F 0.06 Y 0.04 N 0.02 C Shift Assignments>> C :: 174.959 CA :: 54.789 CB :: 42.282 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.297 HA :: 5.006 HB2 :: 2.690 HB3 :: 2.478 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.809 Ave N Shift Values>> N :: 120.73(4.2) 1.I99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.48 C 0.48 G 0.02 C Shift Assignments>> C :: 175.019 CA :: 60.455 CB :: 42.110 CG1 :: 26.936 CG2 :: 15.300 CD1 :: 14.737 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.331 HA :: 4.016 HB :: 1.263 HG12 :: 0.333 HG13 :: 1.396 HG21 :: -0.065 HG22 :: -0.065 HG23 :: -0.065 HD11 :: 0.201 HD12 :: 0.201 HD13 :: 0.201 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.714 Ave N Shift Values>> N :: 121.6(4.72) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.557 CA :: 58.848 CB :: 63.482 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.345 HA :: 4.527 HB2 :: 3.760 HB3 :: 3.879 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.590 Ave N Shift Values>> N :: 116.3(3.95) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.25 A 0.15 C Shift Assignments>> C :: 174.363 CA :: 52.430 CB :: 40.427 CG :: 27.306 CD1 :: 25.303 CD2 :: 22.532 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.277 HA :: 4.375 HB2 :: 1.329 HB3 :: 1.113 HG :: 1.419 HD11 :: 0.461 HD12 :: 0.461 HD13 :: 0.461 HD21 :: 0.660 HD22 :: 0.660 HD23 :: 0.660 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.776 Ave N Shift Values>> N :: 121.98(4.07) 1.P102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.75 C 0.24 C Shift Assignments>> C :: 175.687 CA :: 62.488 CB :: 32.073 CG :: 27.043 CD :: 50.501 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.259 HB2 :: 1.619 HB3 :: 2.034 HG2 :: 1.270 HG3 :: 1.316 HD2 :: 2.969 HD3 :: 3.109 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.09 M 0.07 K 0.06 Q 0.03 C Shift Assignments>> C :: 176.869 CA :: 58.131 CB :: 30.344 CG :: 36.360 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.286 HA :: 4.013 HB2 :: 1.986 HB3 :: 1.986 HG2 :: 2.241 HG3 :: 2.312 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.843 Ave N Shift Values>> N :: 120.68(3.68) 1.K104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.36 R 0.14 M 0.03 C Shift Assignments>> C :: 175.231 CA :: 55.314 CB :: 33.428 CG :: 24.665 CD :: 29.152 CE :: 42.048 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.869 HA :: 4.474 HB2 :: 1.670 HB3 :: 1.745 HG2 :: 1.283 HG3 :: 1.283 HD2 :: 1.632 HD3 :: 1.632 HE2 :: 2.931 HE3 :: 2.931 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.544 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 176.091 CA :: 60.636 CB :: 39.685 CG1 :: 27.549 CG2 :: 17.595 CD1 :: 13.990 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.236 HA :: 4.190 HB :: 1.824 HG12 :: 1.086 HG13 :: 1.393 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 HD11 :: 0.789 HD12 :: 0.789 HD13 :: 0.789 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.507 Ave N Shift Values>> N :: 121.6(4.72) 1.Q106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 K 0.25 C 0.24 E 0.08 R 0.08 M 0.05 C Shift Assignments>> C :: 177.593 CA :: 56.244 CB :: 28.717 CG :: 33.574 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.752 HA :: 4.243 HB2 :: 1.775 HB3 :: 1.636 HG2 :: 2.430 HG3 :: 2.430 HE21 :: 6.877 HE22 :: 7.537 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.467 NE2 :: 112.508 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.222 CA :: 60.530 CB :: 63.187 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.623 HA :: 4.152 HB2 :: 3.781 HB3 :: 3.815 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.963 Ave N Shift Values>> N :: 116.3(3.95) 1.Y108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.48 C Shift Assignments>> C :: 175.768 CA :: 56.727 CB :: 37.491 CD1 :: 133.246 CD2 :: 133.246 CE1 :: 118.624 CE2 :: 118.624 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.330 HA :: 4.655 HB2 :: 3.252 HB3 :: 3.059 HD1 :: 7.059 HD2 :: 7.059 HE1 :: 6.824 HE2 :: 6.824 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.323 Ave N Shift Values>> N :: 120.79(4.69) 1.E109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 M 0.26 E 0.21 Q 0.15 K 0.05 C Shift Assignments>> C :: 176.013 CA :: 55.573 CB :: 31.360 CG :: 34.899 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.587 HA :: 4.582 HB2 :: 1.874 HB3 :: 2.047 HG2 :: 2.061 HG3 :: 2.280 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.523 Ave N Shift Values>> N :: 120.68(3.68) 1.R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.37 K 0.15 G 0.09 C Shift Assignments>> C :: 174.387 CA :: 55.667 CB :: 32.404 CG :: 27.590 CD :: 43.575 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.441 HA :: 4.786 HB2 :: 1.721 HB3 :: 1.865 HG2 :: 1.559 HG3 :: 1.763 HD2 :: 3.340 HD3 :: 3.189 HE :: 7.823 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.559 NE :: 83.987 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.M111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.38 A 0.21 I 0.01 C Shift Assignments>> C :: 174.924 CA :: 54.151 CB :: 35.735 CG :: 31.355 CE :: 16.323 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.665 HA :: 5.167 HB2 :: 2.090 HB3 :: 2.090 HG2 :: 2.365 HG3 :: 2.540 HE1 :: 1.547 HE2 :: 1.547 HE3 :: 1.547 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 122.471 Ave N Shift Values>> N :: 120.1(3.88) 1.E112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 M 0.09 E 0.02 HN Overlap>> 1.Q55 1.Q55 C Shift Assignments>> C :: 174.483 CA :: 53.909 CB :: 35.198 CG :: 35.940 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.951 HA :: 5.662 HB2 :: 1.680 HB3 :: 2.315 HG2 :: 2.187 HG3 :: 2.077 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.500 Ave N Shift Values>> N :: 120.68(3.68) 1.F113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.47 C 0.3 G 0.21 C Shift Assignments>> C :: 172.253 CA :: 55.857 CB :: 43.656 CD1 :: 132.402 CD2 :: 132.402 CE1 :: 130.438 CE2 :: 130.438 CZ :: 128.606 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 9.278 HA :: 6.262 HB2 :: 3.169 HB3 :: 2.946 HD1 :: 6.771 HD2 :: 6.771 HE1 :: 6.742 HE2 :: 6.742 HZ :: 6.896 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 115.033 Ave N Shift Values>> N :: 120.69(4.18) 1.A114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.2 A 0.19 M 0.08 K 0.05 P 0.01 C Shift Assignments>> C :: 174.903 CA :: 50.860 CB :: 23.129 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.475 HA :: 5.026 HB1 :: 1.715 HB2 :: 1.715 HB3 :: 1.715 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.461 Ave N Shift Values>> N :: 123.23(3.7) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.56 C 0.42 I 0.01 C Shift Assignments>> C :: 174.444 CA :: 61.379 CB :: 34.712 CG1 :: 22.817 CG2 :: 20.779 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.928 HA :: 4.798 HB :: 2.271 HG11 :: 0.789 HG12 :: 0.789 HG13 :: 0.789 HG21 :: 1.053 HG22 :: 1.053 HG23 :: 1.053 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.899 Ave N Shift Values>> N :: 121.02(4.96) 1.Y116 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 172.208 CA :: 55.480 CB :: 38.928 CD1 :: 133.308 CD2 :: 133.308 CE1 :: 116.915 CE2 :: 116.915 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.963 HA :: 5.081 HB2 :: 1.561(S) HB3 :: 0.813(S) HD1 :: 6.343 HD2 :: 6.343 HE1 :: 6.483 HE2 :: 6.483 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.426 Ave N Shift Values>> N :: 120.79(4.69) 1.Y117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.36 G 0.01 C Shift Assignments>> C :: 173.159 CA :: 52.371 CB :: 41.509 CD1 :: 132.029 CD2 :: 132.029 CE1 :: 118.544 CE2 :: 118.544 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.858 HA :: 5.528 HB2 :: 2.636 HB3 :: 2.912 HD1 :: 6.881 HD2 :: 6.881 HE1 :: 6.612 HE2 :: 6.612 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.249 Ave N Shift Values>> N :: 120.79(4.69) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.28 E 0.23 Q 0.02 K 0.01 C Shift Assignments>> C :: 175.565 CA :: 54.179 CB :: 32.099 CG :: 36.216 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.368 HA :: 5.085 HB2 :: 1.815 HB3 :: 1.855 HG2 :: 2.044 HG3 :: 2.044 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.681 Ave N Shift Values>> N :: 120.68(3.68) 1.C119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 K 0.13 E 0.13 Q 0.12 C 0.12 H 0.11 R 0.09 I 0.06 M 0.02 L 0.01 V 0.01 HN Overlap>> 1.K141 1.K141 C Shift Assignments>> C :: 174.586 CA :: 58.248 CB :: 29.065 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.323 HA :: 4.479 HB2 :: 2.497 HB3 :: 2.291 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 122.152 Ave N Shift Values>> N :: 119.95(4.79) 1.N120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.4 C 0.21 Y 0.1 D 0.1 F 0.06 E 0.05 M 0.02 L 0.01 C Shift Assignments>> C :: 174.943 CA :: 53.735 CB :: 37.873 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.858 HA :: 4.342 HB2 :: 3.100 HB3 :: 2.377 HD21 :: 7.498 HD22 :: 6.610 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.917 ND2 :: 111.570 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 173.804 CA :: 45.586 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.776 HA2 :: 4.041 HA3 :: 3.553 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.866 Ave N Shift Values>> N :: 109.91(4.29) 1.Q122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 C 0.29 Q 0.18 K 0.06 E 0.05 C Shift Assignments>> C :: 174.029 CA :: 53.624 CB :: 31.456 CG :: 33.480 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.677 HA :: 4.395 HB2 :: 1.642 HB3 :: 1.518 HG2 :: 2.133 HG3 :: 2.133 HE21 :: 6.787 HE22 :: 7.390 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.988 NE2 :: 112.770 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T123 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 :: 172.596 CA :: 61.935 CB :: 70.005 CG2 :: 22.018 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.990 HA :: 4.620 HB :: 3.685 HG21 :: 0.611 HG22 :: 0.611 HG23 :: 0.611 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.337 Ave N Shift Values>> N :: 115.7(5.05) 1.Y124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 174.284 CA :: 56.388 CB :: 40.688 CD1 :: 133.459 CD2 :: 133.459 CE1 :: 117.443 CE2 :: 117.443 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.416 HA :: 4.962 HB2 :: 2.781 HB3 :: 3.869 HD1 :: 6.957 HD2 :: 6.957 HE1 :: 6.444 HE2 :: 6.444 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 128.915 Ave N Shift Values>> N :: 120.79(4.69) 1.W125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 W 0.46 H 0.01 C Shift Assignments>> C :: 176.973 CA :: 56.940 CB :: 33.031 CD1 :: 126.423 CE3 :: 120.807 CZ2 :: 114.059 CZ3 :: 120.171 CH2 :: 124.011 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.738 HA :: 5.388 HB2 :: 2.944 HB3 :: 3.053 HD1 :: 7.110 HE1 :: 9.938 HE3 :: 7.373 HZ2 :: 6.931 HZ3 :: 6.738 HH2 :: 6.557 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 119.850 NE1 :: 129.730 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.19 R 0.16 K 0.11 C 0.1 F 0.04 Y 0.03 N 0.03 G 0.02 C Shift Assignments>> C :: 176.043 CA :: 53.968 CB :: 42.641 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.436 HA :: 5.213 HB2 :: 2.993 HB3 :: 2.821 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.759 Ave N Shift Values>> N :: 120.73(4.2) 1.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.840 CA :: 55.118 CB :: 63.866 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.520 HA :: 4.811 HB2 :: 4.110 HB3 :: 3.510 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.074 Ave N Shift Values>> N :: 116.3(3.95) 1.N128 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.29 M 0.23 Q 0.16 K 0.12 E 0.05 H 0.03 N 0.02 W 0.02 R 0.02 Y 0.01 C Shift Assignments>> C :: 176.607 CA :: 53.224 CB :: 34.281 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.242 HA :: 4.071 HB2 :: 2.187 HB3 :: -0.172(A) HD21 :: 6.517 HD22 :: 6.759 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.865 ND2 :: 107.840 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 L 0.2 R 0.19 G 0.11 K 0.1 C Shift Assignments>> C :: 176.132 CA :: 56.798 CB :: 27.145 CG :: 28.395 CD :: 43.506 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.475 HA :: 3.774 HB2 :: 1.865 HB3 :: 1.865 HG2 :: 1.398 HG3 :: 1.576 HD2 :: 3.175 HD3 :: 3.175 HE :: 7.326 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 114.718 NE :: 85.636 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.G130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 174.521 CA :: 44.896 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.568 HA2 :: 4.103 HA3 :: 3.425 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.337 Ave N Shift Values>> N :: 109.91(4.29) 1.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.4 R 0.17 M 0.01 G 0.01 C Shift Assignments>> C :: 177.813 CA :: 57.336 CB :: 33.719 CG :: 24.984 CD :: 28.815 CE :: 42.151 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.278 HA :: 4.132 HB2 :: 1.869 HB3 :: 1.918 HG2 :: 1.393 HG3 :: 1.451 HD2 :: 1.647 HD3 :: 1.647 HE2 :: 2.981 HE3 :: 2.981 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.902 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 N 0.22 C 0.16 Y 0.13 F 0.12 L 0.08 I 0.01 K 0.01 E 0.01 C Shift Assignments>> C :: 172.611 CA :: 54.717 CB :: 39.462 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.268 HA :: 3.691 HB2 :: 3.432 HB3 :: 2.593 HD21 :: 6.198 HD22 :: 7.278 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 107.489 ND2 :: 111.250 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Y133 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 Y 0.39 H 0.03 W 0.01 C Shift Assignments>> C :: 175.026 CA :: 58.334 CB :: 35.955 CD2 :: 133.073 CE1 :: 118.612 CE2 :: 115.374 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.696 HA :: 3.879 HB2 :: 0.462(S) HB3 :: 1.348(S) HD2 :: 6.289 HE1 :: 6.197 HE2 :: 6.437 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.541 Ave N Shift Values>> N :: 120.79(4.69) 1.R134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.33 G 0.15 K 0.09 HN Overlap>> 1.R30 1.R30 C Shift Assignments>> C :: 174.511 CA :: 56.025 CB :: 32.734 CG :: 27.510 CD :: 43.945 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.584 HA :: 5.043 HB2 :: 2.079 HB3 :: 2.079 HG2 :: 1.674 HG3 :: 1.806 HD2 :: 3.329 HD3 :: 3.329 HE :: 7.595 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.205 NE :: 84.858 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 C 0.34 C Shift Assignments>> C :: 175.279 CA :: 61.078 CB :: 39.875 CG1 :: 27.999 CG2 :: 19.298 CD1 :: 15.094 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.429 HA :: 4.797 HB :: 1.805 HG12 :: 1.158 HG13 :: 1.763 HG21 :: 0.820 HG22 :: 0.820 HG23 :: 0.820 HD11 :: 0.942 HD12 :: 0.942 HD13 :: 0.942 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.430 Ave N Shift Values>> N :: 121.6(4.72) 1.I136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.43 G 0.02 C Shift Assignments>> C :: 175.144 CA :: 59.359 CB :: 42.170 CG1 :: 26.819 CG2 :: 17.729 CD1 :: 13.457 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.000 HA :: 5.028 HB :: 2.040 HG12 :: 0.982 HG13 :: 1.406 HG21 :: 0.964 HG22 :: 0.964 HG23 :: 0.964 HD11 :: 0.799 HD12 :: 0.799 HD13 :: 0.799 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.496 Ave N Shift Values>> N :: 121.6(4.72) 1.R137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.34 K 0.16 G 0.06 C Shift Assignments>> C :: 176.646 CA :: 56.339 CB :: 30.696 CG :: 28.175 CD :: 43.333 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.535 HA :: 4.402 HB2 :: 1.827 HB3 :: 1.652 HG2 :: 1.441 HG3 :: 1.597 HD2 :: 3.075 HD3 :: 3.075 HE :: 7.461 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.183 NE :: 84.981 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.A138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.22 C 0.03 L 0.01 C Shift Assignments>> C :: 177.637 CA :: 52.808 CB :: 19.536 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.353 HA :: 4.134 HB1 :: 1.212 HB2 :: 1.212 HB3 :: 1.212 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.694 Ave N Shift Values>> N :: 123.23(3.7) 1.E139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.09 K 0.09 Q 0.06 I 0.04 C Shift Assignments>> C :: 176.488 CA :: 56.586 CB :: 30.137 CG :: 36.113 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.615 HA :: 4.268 HB2 :: 1.927 HB3 :: 1.996 HG2 :: 2.192 HG3 :: 2.264 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.890 Ave N Shift Values>> N :: 120.68(3.68) 1.L140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.28 R 0.08 G 0.01 A 0.01 HN Overlap>> 1.Y24 1.Y24 C Shift Assignments>> C :: 177.456 CA :: 55.185 CB :: 42.294 CG :: 27.128 CD1 :: 25.072 CD2 :: 23.501 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.224 HA :: 4.339 HB2 :: 1.671 HB3 :: 1.595 HG :: 1.578 HD11 :: 0.936 HD12 :: 0.936 HD13 :: 0.936 HD21 :: 0.858 HD22 :: 0.858 HD23 :: 0.858 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.350 Ave N Shift Values>> N :: 121.98(4.07) 1.K141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.37 R 0.18 M 0.03 G 0.01 HN Overlap>> 1.C119 1.C119 C Shift Assignments>> C :: 176.734 CA :: 56.480 CB :: 32.976 CG :: 24.820 CD :: 29.080 CE :: 42.178 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.239 HA :: 4.309 HB2 :: 1.744 HB3 :: 1.861 HG2 :: 1.442 HG3 :: 1.442 HD2 :: 1.666 HD3 :: 1.666 HE2 :: 2.968 HE3 :: 2.968 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.155 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.185 CA :: 58.425 CB :: 63.836 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.369 HA :: 4.529 HB2 :: 3.932 HB3 :: 3.932 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.816 Ave N Shift Values>> N :: 116.3(3.95) 1.T143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.S90 1.S90 C Shift Assignments>> C :: 174.937 CA :: 61.999 CB :: 69.634 CG2 :: 21.757 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.235 HA :: 4.389 HB :: 4.316 HG21 :: 1.212 HG22 :: 1.212 HG23 :: 1.212 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.566 Ave N Shift Values>> N :: 115.7(5.05) 1.Q144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.24 E 0.12 M 0.07 R 0.05 HN Overlap>> 1.E11 1.E11 C Shift Assignments>> C :: 176.536 CA :: 56.480 CB :: 29.307 CG :: 33.805 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.345 HA :: 4.307 HB2 :: 2.127 HB3 :: 2.016 HG2 :: 2.389 HG3 :: 2.389 HE21 :: 7.603 HE22 :: 6.895 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.469 NE2 :: 112.356 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 174.123 CA :: 45.355 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.461 HA2 :: 3.967 HA3 :: 3.967 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.021 Ave N Shift Values>> N :: 109.91(4.29) 1.M146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.39 A 0.13 C Shift Assignments>> C :: 176.454 CA :: 55.594 CB :: 33.090 CG :: 32.029 CE :: 16.998 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.197 HA :: 4.538 HB2 :: 2.025 HB3 :: 2.110 HG2 :: 2.524 HG3 :: 2.595 HE1 :: 2.101 HE2 :: 2.101 HE3 :: 2.101 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.836 Ave N Shift Values>> N :: 120.1(3.88) 1.T147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 HN Overlap>> 1.S10 1.S10 C Shift Assignments>> C :: 174.141 CA :: 61.959 CB :: 69.875 CG2 :: 21.703 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.239 HA :: 4.318 HB :: 4.154 HG21 :: 1.215 HG22 :: 1.215 HG23 :: 1.215 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.248 Ave N Shift Values>> N :: 115.7(5.05) 1.K148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.32 R 0.15 M 0.04 G 0.01 C Shift Assignments>> C :: 174.388 CA :: 54.186 CB :: 32.651 CG :: 24.549 CD :: 29.294 CE :: 42.134 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.387 HA :: 4.617 HB2 :: 1.719 HB3 :: 1.814 HG2 :: 1.453 HG3 :: 1.453 HD2 :: 1.652 HD3 :: 1.652 HE2 :: 3.009 HE3 :: 3.009 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.399 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P149 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> CA :: 63.178 CB :: 32.164 CG :: 27.370 CD :: 50.696 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.406 HB2 :: 2.260 HB3 :: 1.847 HG2 :: 1.994 HG3 :: 1.994 HD2 :: 3.819 HD3 :: 3.635 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.H150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.35 W 0.35 C 0.29 C Shift Assignments>> CA :: 56.264 CB :: 30.574 CD2 :: 120.043 CE1 :: 138.131 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> HA :: 4.626 HB2 :: 3.146 HD2 :: 7.081 HE1 :: 7.976 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) 1.S151 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.253 CA :: 58.018 CB :: 64.139 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.475 HB2 :: 3.840 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.G152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.52 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.668 CA :: 44.637 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.276 HA2 :: 4.120 HA3 :: 4.120 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.964 Ave N Shift Values>> N :: 109.91(4.29) 1.P153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.656 CA :: 63.147 CB :: 32.149 CG :: 27.071 CD :: 49.742 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.425 HB2 :: 2.257 HB3 :: 1.910 HG2 :: 1.993 HG3 :: 1.993 HD2 :: 3.597 HD3 :: 3.654 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.D154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.18 C 0.11 K 0.11 N 0.1 F 0.09 Y 0.08 R 0.02 C Shift Assignments>> C :: 176.163 CA :: 54.429 CB :: 40.979 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.463 HA :: 4.575 HB2 :: 2.732 HB3 :: 2.579 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.420 Ave N Shift Values>> N :: 120.73(4.2) 1.L155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.27 R 0.08 A 0.03 G 0.01 C Shift Assignments>> C :: 176.990 CA :: 55.022 CB :: 42.157 CG :: 27.185 CD1 :: 25.187 CD2 :: 23.066 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.266 HA :: 4.358 HB2 :: 1.667 HB3 :: 1.597 HG :: 1.576 HD11 :: 0.902 HD12 :: 0.902 HD13 :: 0.902 HD21 :: 0.831 HD22 :: 0.831 HD23 :: 0.831 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.563 Ave N Shift Values>> N :: 121.98(4.07) 1.G156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 179.148 CA :: 46.176 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.034 HA2 :: 3.703 HA3 :: 3.761 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.518 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 146 #Clerical: 0 #Suspicious: 9 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 151 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 155 #Suspicious: 1 C Shift Results: #Consistent: 688 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent:1032 #Duplicate: 0 #Unknown: 0 #Suspicious: 20 #Anomalous: 1 N Shift Results: #Consistent: 164 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L15 HB3 = 0.378(S), Expected = 1.57, Std = 0.3600, ChiSquare = 9.2926e-04 1.V54 HG11 = -0.068(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.7111e-04 1.V54 HG12 = -0.068(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.7111e-04 1.V54 HG13 = -0.068(S), Expected = 0.84, Std = 0.2700, ChiSquare = 7.7111e-04 1.V63 HB = 0.823(S), Expected = 1.99, Std = 0.3300, ChiSquare = 4.0568e-04 1.V63 HG21 = -0.328(S), Expected = 0.83, Std = 0.2900, ChiSquare = 6.5214e-05 1.V63 HG22 = -0.328(S), Expected = 0.83, Std = 0.2900, ChiSquare = 6.5214e-05 1.V63 HG23 = -0.328(S), Expected = 0.83, Std = 0.2900, ChiSquare = 6.5214e-05 1.K64 HB3 = 0.530(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.5268e-06 1.R66 HD3 = 1.948(S), Expected = 3.13, Std = 0.2200, ChiSquare = 7.7555e-08 1.R66 HE = 9.891(S), Expected = 7.32, Std = 0.5200, ChiSquare = 7.6445e-07 1.R66 SRO Rule Break>> HD3 > HB2 : 0.994991652754591 1.R66 SRO Rule Break>> HD3 > HB3 : 0.995794785534062 1.T68 CG2 = 16.523(S), Expected = 21.44, Std = 1.3900, ChiSquare = 4.0407e-04 1.T68 HB = 2.695(S), Expected = 4.17, Std = 0.3700, ChiSquare = 6.7059e-05 1.T68 HG21 = -0.300(S), Expected = 1.16, Std = 0.2800, ChiSquare = 1.8453e-07 1.T68 HG22 = -0.300(S), Expected = 1.16, Std = 0.2800, ChiSquare = 1.8453e-07 1.T68 HG23 = -0.300(S), Expected = 1.16, Std = 0.2800, ChiSquare = 1.8453e-07 1.D77 HA = 5.865(S), Expected = 4.61, Std = 0.3100, ChiSquare = 5.1572e-05 1.Y116 HB2 = 1.561(S), Expected = 2.91, Std = 0.3700, ChiSquare = 2.6641e-04 1.Y116 HB3 = 0.813(S), Expected = 2.91, Std = 0.3700, ChiSquare = 1.4484e-08 1.N128 HB3 = -0.172(A), Expected = 2.78, Std = 0.3400, ChiSquare = 3.8766e-18 1.Y133 HB2 = 0.462(S), Expected = 2.91, Std = 0.3700, ChiSquare = 3.6851e-11 1.Y133 HB3 = 1.348(S), Expected = 2.91, Std = 0.3700, ChiSquare = 2.4255e-05