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: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.07 R 0.02 C Shift Assignments>> C :: 174.116 CA :: 45.420 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.413 HA2 :: 3.972 HA3 :: 3.972 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.586 Ave N Shift Values>> N :: 109.91(4.29) 1.L8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.28 R 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 177.723 CA :: 55.339 CB :: 42.453 CG :: 26.982 CD1 :: 24.984 CD2 :: 23.425 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 :: 8.113 HA :: 4.415 HB2 :: 1.651 HB3 :: 1.597 HG :: 1.608 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 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 :: 121.520 Ave N Shift Values>> N :: 121.98(4.07) 1.T9 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 :: 174.473 CA :: 61.887 CB :: 69.936 CG2 :: 21.648 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 :: 8.157 HA :: 4.341 HB :: 4.237 HG21 :: 1.200 HG22 :: 1.200 HG23 :: 1.200 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 :: 114.785 Ave N Shift Values>> N :: 115.7(5.05) 1.Q10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.23 E 0.12 M 0.08 R 0.04 C Shift Assignments>> C :: 175.745 CA :: 56.021 CB :: 29.482 CG :: 33.848 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 :: 8.424 HA :: 4.334 HB2 :: 2.106 HB3 :: 1.999 HG2 :: 2.362 HG3 :: 2.362 HE21 :: 7.537 HE22 :: 6.904 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 :: 122.535 NE2 :: 112.465 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.22 E 0.11 M 0.1 R 0.04 HN Overlap>> 1.Q19 1.Q19 C Shift Assignments>> C :: 176.038 CA :: 55.951 CB :: 29.676 CG :: 33.752 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 :: 8.394 HA :: 4.363 HB2 :: 2.108 HB3 :: 2.000 HG2 :: 2.371 HG3 :: 2.371 HE21 :: 7.555 HE22 :: 7.094 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 :: 121.526 NE2 :: 113.082 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 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 :: 174.861 CA :: 58.483 CB :: 63.829 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.500 HA :: 4.516 HB2 :: 3.901 HB3 :: 3.901 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 :: 118.079 Ave N Shift Values>> N :: 116.3(3.95) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 177.039 CA :: 61.733 CB :: 38.617 CG1 :: 27.511 CG2 :: 17.520 CD1 :: 13.116 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 :: 8.308 HA :: 4.183 HB :: 1.907 HG12 :: 1.494 HG13 :: 1.222 HG21 :: 0.931 HG22 :: 0.931 HG23 :: 0.931 HD11 :: 0.866 HD12 :: 0.866 HD13 :: 0.866 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 :: 123.253 Ave N Shift Values>> N :: 121.6(4.72) 1.G14 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 :: 173.855 CA :: 45.436 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.501 HA2 :: 3.979 HA3 :: 3.929 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.858 Ave N Shift Values>> N :: 109.91(4.29) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.32 C 0.05 L 0.04 V 0.01 C Shift Assignments>> C :: 179.709 CA :: 53.859 CB :: 20.122 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.909 HA :: 4.225 HB1 :: 1.228 HB2 :: 1.228 HB3 :: 1.228 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.949 Ave N Shift Values>> N :: 123.23(3.7) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.37 C 0.01 C Shift Assignments>> C :: 177.194 CA :: 53.311 CB :: 17.481 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.338 HA :: 4.315 HB1 :: 1.328 HB2 :: 1.328 HB3 :: 1.328 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.176 Ave N Shift Values>> N :: 123.23(3.7) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.09 L 0.07 R 0.01 C Shift Assignments>> C :: 174.069 CA :: 45.779 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.441 HA2 :: 4.331 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 :: 114.405 Ave N Shift Values>> N :: 109.91(4.29) 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 :: 173.358 CA :: 57.211 CB :: 63.155 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.523 HA :: 4.409 HB2 :: 4.057 HB3 :: 3.778 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 :: 114.945 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>> Q 0.27 C 0.25 K 0.19 M 0.15 E 0.09 R 0.02 HN Overlap>> 1.Q11 1.Q11 C Shift Assignments>> C :: 174.626 CA :: 54.108 CB :: 29.982 CG :: 33.904 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 :: 8.370 HA :: 4.571 HB2 :: 1.929 HB3 :: 1.751 HG2 :: 2.231 HG3 :: 2.231 HE21 :: 7.586 HE22 :: 7.005 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 :: 121.433 NE2 :: 113.145 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K20 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.A55 1.A83 1.A55 1.A83 C Shift Assignments>> C :: 175.070 CA :: 56.747 CB :: 32.995 CG :: 24.607 CD :: 29.117 CE :: 42.232 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 :: 7.865 HA :: 3.857 HB2 :: 1.565 HB3 :: 1.565 HG2 :: 1.349 HG3 :: 1.286 HD2 :: 1.621 HD3 :: 1.575 HE2 :: 2.946 HE3 :: 2.946 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 :: 121.705 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.31 M 0.22 Q 0.02 I 0.01 K 0.01 C Shift Assignments>> C :: 178.304 CA :: 56.108 CB :: 31.920 CG :: 36.357 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 :: 8.255 HA :: 4.420 HB2 :: 2.071 HB3 :: 1.862 HG2 :: 2.147 HG3 :: 2.110 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 :: 124.952 Ave N Shift Values>> N :: 120.68(3.68) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.36 L 0.27 G 0.1 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> CA :: 43.529 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.123 HA2 :: 4.432 HA3 :: 4.269 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.449 Ave N Shift Values>> N :: 109.91(4.29) 1.P23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.32 G 0.01 C Shift Assignments>> C :: 174.130 CA :: 62.487 CB :: 32.748 CG :: 27.247 CD :: 48.920 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 :: 4.479 HB2 :: 2.393 HB3 :: 1.916 HG2 :: 2.038 HG3 :: 1.664 HD2 :: 3.805 HD3 :: 3.576 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.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.32 K 0.11 I 0.11 Q 0.06 M 0.03 C Shift Assignments>> C :: 178.025 CA :: 58.323 CB :: 29.404 CG :: 35.982 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 :: 4.109 HB2 :: 2.062 HB3 :: 1.938 HG2 :: 2.322 HG3 :: 2.322 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 :: 119.479 Ave N Shift Values>> N :: 120.68(3.68) 1.G25 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 :: 173.606 CA :: 45.608 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.380 HA2 :: 4.380 HA3 :: 3.835 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.765 Ave N Shift Values>> N :: 109.91(4.29) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.11 C 0.07 L 0.06 C Shift Assignments>> C :: 175.012 CA :: 50.811 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 :: 8.464 HA :: 4.707 HB1 :: 1.185 HB2 :: 1.185 HB3 :: 1.185 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.258 Ave N Shift Values>> N :: 123.23(3.7) 1.N27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.17 L 0.16 C 0.11 K 0.07 F 0.06 Y 0.05 R 0.01 C Shift Assignments>> C :: 174.041 CA :: 53.170 CB :: 40.935 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 :: 7.765 HA :: 5.673 HB2 :: 2.957 HB3 :: 2.957 HD21 :: 8.207 HD22 :: 6.768 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 :: 115.128 ND2 :: 119.479 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.25 C 0.2 R 0.03 C Shift Assignments>> C :: 174.515 CA :: 54.126 CB :: 45.108 CG :: 26.904 CD1 :: 27.107 CD2 :: 24.895 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 :: 10.147 HA :: 4.962 HB2 :: 1.819 HB3 :: 1.131 HG :: 1.703 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 HD21 :: 0.758 HD22 :: 0.758 HD23 :: 0.758 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 :: 126.114 Ave N Shift Values>> N :: 121.98(4.07) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.32 G 0.07 C Shift Assignments>> C :: 172.895 CA :: 56.249 CB :: 42.936 CD1 :: 131.235 CD2 :: 131.235 CE1 :: 131.235 CE2 :: 131.235 CZ :: 128.094 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 :: 9.210 HA :: 4.582 HB2 :: 2.864 HB3 :: 2.504 HD1 :: 6.673 HD2 :: 6.673 HE1 :: 6.583 HE2 :: 6.583 HZ :: 6.230 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 :: 122.077 Ave N Shift Values>> N :: 120.69(4.18) 1.I30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 I 0.04 V 0.04 A 0.01 C Shift Assignments>> CA :: 58.967 CB :: 41.107 CG1 :: 29.716 CG2 :: 20.995 CD1 :: 16.903 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 :: 8.080 HA :: 4.909 HB :: 1.034 HG12 :: 1.064 HG13 :: 0.881 HG21 :: 0.704 HG22 :: 0.704 HG23 :: 0.704 HD11 :: 0.181 HD12 :: 0.181 HD13 :: 0.181 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 :: 126.652 Ave N Shift Values>> N :: 121.6(4.72) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.36 G 0.01 HN Overlap>> 1.K67 1.K67 C Shift Assignments>> CA :: 56.725 CB :: 41.998 CD1 :: 132.640 CD2 :: 132.640 CE1 :: 117.705 CE2 :: 117.705 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 :: 8.933 HA :: 4.531 HB2 :: 2.460 HB3 :: 2.210 HD1 :: 5.995 HD2 :: 5.995 HE1 :: 6.272 HE2 :: 6.272 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 :: 124.768 Ave N Shift Values>> N :: 120.79(4.69) 1.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.5 H 0.49 C Shift Assignments>> CA :: 57.350 CB :: 26.620 CD2 :: 120.640 CE1 :: 138.602 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 :: 6.579 HA :: 4.047 HB2 :: 3.807 HB3 :: 3.134 HD2 :: 7.045 HE1 :: 8.091 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.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.2 R 0.08 G 0.03 A 0.02 C Shift Assignments>> CA :: 52.951 CB :: 42.373 CG :: 27.076 CD1 :: 26.270 CD2 :: 23.935 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 :: 7.015 HA :: 3.839 HB2 :: 1.019 HB3 :: 0.802 HG :: 1.153 HD11 :: 0.518 HD12 :: 0.518 HD13 :: 0.518 HD21 :: 0.574 HD22 :: 0.574 HD23 :: 0.574 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 :: 113.995 Ave N Shift Values>> N :: 121.98(4.07) 1.P34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 62.670 CB :: 32.290 CG :: 28.279 CD :: 49.482 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 :: 4.263 HB2 :: 2.373 HB3 :: 1.467 HG2 :: 1.637 HG3 :: 1.349 HD2 :: 3.241 HD3 :: 2.256(S) 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.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.2 K 0.19 E 0.19 I 0.05 M 0.03 R 0.02 C Shift Assignments>> C :: 175.904 CA :: 59.186 CB :: 29.078 CG :: 34.472 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 :: 9.097 HA :: 4.033 HB2 :: 2.065 HB3 :: 2.016 HG2 :: 2.461 HG3 :: 2.382 HE21 :: 7.624 HE22 :: 7.058 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 :: 126.472 NE2 :: 113.027 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.33 K 0.12 I 0.1 Q 0.04 M 0.01 C Shift Assignments>> C :: 176.974 CA :: 57.139 CB :: 28.621 CG :: 36.357 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 :: 9.105 HA :: 4.296 HB2 :: 2.150 HB3 :: 2.095 HG2 :: 2.354 HG3 :: 2.354 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 :: 113.980 Ave N Shift Values>> N :: 120.68(3.68) 1.F37 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 :: 176.954 CA :: 58.452 CB :: 39.559 CD1 :: 129.735 CD2 :: 129.735 CE1 :: 131.927 CE2 :: 131.927 CZ :: 130.278 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 :: 7.571 HA :: 4.608 HB2 :: 3.370 HB3 :: 2.803 HD1 :: 6.971 HD2 :: 6.971 HE1 :: 7.351 HE2 :: 7.351 HZ :: 7.346 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 :: 122.129 Ave N Shift Values>> N :: 120.69(4.18) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.27 C 0.08 G 0.07 D 0.05 K 0.04 F 0.04 Y 0.02 I 0.01 C Shift Assignments>> C :: 174.721 CA :: 43.357 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.612 HA2 :: 4.658 HA3 :: 3.896 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.960 Ave N Shift Values>> N :: 109.91(4.29) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.18 Y 0.16 C 0.15 L 0.09 I 0.06 R 0.06 D 0.03 C Shift Assignments>> C :: 178.130 CA :: 58.608 CB :: 41.357 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 :: 4.074 HB2 :: 2.750 HB3 :: 2.536 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 :: 119.948 Ave N Shift Values>> N :: 120.73(4.2) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.23 Q 0.23 R 0.11 E 0.07 I 0.02 M 0.01 HN Overlap>> 1.F71 1.F71 C Shift Assignments>> C :: 177.914 CA :: 58.737 CB :: 27.809 CG :: 33.578 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 :: 8.738 HA :: 3.898 HB2 :: 2.045 HB3 :: 1.986 HG2 :: 2.364 HG3 :: 2.364 HE21 :: 7.534 HE22 :: 6.797 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 :: 115.835 NE2 :: 111.234 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.22 Y 0.22 C 0.18 D 0.12 L 0.09 I 0.05 N 0.04 K 0.03 C Shift Assignments>> C :: 178.209 CA :: 56.858 CB :: 39.872 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 :: 7.096 HA :: 3.989 HB2 :: 1.939 HB3 :: 1.100(S) 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 :: 118.340 Ave N Shift Values>> N :: 120.73(4.2) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.32 R 0.12 G 0.03 C Shift Assignments>> C :: 177.495 CA :: 57.873 CB :: 42.670 CG :: 26.529 CD1 :: 26.501 CD2 :: 24.869 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 :: 7.725 HA :: 4.144 HB2 :: 1.901 HB3 :: 1.322 HG :: 1.397 HD11 :: 0.690 HD12 :: 0.690 HD13 :: 0.690 HD21 :: 0.899 HD22 :: 0.899 HD23 :: 0.899 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 :: 120.215 Ave N Shift Values>> N :: 121.98(4.07) 1.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.36 R 0.2 G 0.02 K 0.02 C Shift Assignments>> C :: 178.356 CA :: 59.014 CB :: 42.411 CG :: 27.279 CD1 :: 26.685 CD2 :: 24.791 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 :: 8.132 HA :: 3.784 HB2 :: 2.036 HB3 :: 1.438 HG :: 1.555 HD11 :: 0.988 HD12 :: 0.988 HD13 :: 0.988 HD21 :: 0.870 HD22 :: 0.870 HD23 :: 0.870 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 :: 118.190 Ave N Shift Values>> N :: 121.98(4.07) 1.Q44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.22 E 0.14 R 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 178.349 CA :: 59.108 CB :: 28.467 CG :: 34.189 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 :: 8.094 HA :: 3.979 HB2 :: 2.129 HB3 :: 2.129 HG2 :: 2.514 HG3 :: 2.440 HE21 :: 7.376 HE22 :: 6.843 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 :: 115.496 NE2 :: 111.496 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.M45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.45 A 0.02 I 0.02 C Shift Assignments>> C :: 175.712 CA :: 58.170 CB :: 34.247 CG :: 32.246 CE :: 18.169 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 :: 7.592 HA :: 4.003 HB2 :: 2.311 HB3 :: 2.122 HG2 :: 1.945 HG3 :: 2.237 HE1 :: 2.027 HE2 :: 2.027 HE3 :: 2.027 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 :: 116.082 Ave N Shift Values>> N :: 120.1(3.88) 1.F46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.36 C Shift Assignments>> C :: 177.537 CA :: 60.011 CB :: 39.372 CD1 :: 132.274 CD2 :: 132.274 CE1 :: 130.418 CE2 :: 130.418 CZ :: 128.242 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 :: 7.579 HA :: 4.772 HB2 :: 3.720 HB3 :: 2.688 HD1 :: 7.904 HD2 :: 7.904 HE1 :: 6.937 HE2 :: 6.937 HZ :: 6.878 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 :: 112.801 Ave N Shift Values>> N :: 120.69(4.18) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 M 0.45 C Shift Assignments>> CA :: 59.667 CB :: 32.222 CG :: 32.100 CE :: 16.478 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 :: 8.326 HA :: 4.677 HB2 :: 2.279 HB3 :: 2.232 HG2 :: 2.796 HG3 :: 2.796 HE1 :: 2.120 HE2 :: 2.120 HE3 :: 2.120 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 :: 127.608 Ave N Shift Values>> N :: 120.1(3.88) 1.P48 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.61 C 0.37 C Shift Assignments>> C :: 177.221 CA :: 65.667 CB :: 31.100 CG :: 27.916 CD :: 51.647 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 :: 4.104 HB2 :: 1.913 HB3 :: 0.161(S) HG2 :: 1.657 HG3 :: 1.621 HD2 :: 3.613 HD3 :: 2.915 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.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 C 0.45 C Shift Assignments>> C :: 174.791 CA :: 58.376 CB :: 38.560 CD1 :: 131.101 CD2 :: 131.101 CE1 :: 131.836 CE2 :: 131.836 CZ :: 129.764 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 :: 6.631 HA :: 4.357 HB2 :: 3.414 HB3 :: 2.870 HD1 :: 7.310 HD2 :: 7.310 HE1 :: 7.229 HE2 :: 7.229 HZ :: 7.180 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 :: 110.121 Ave N Shift Values>> N :: 120.69(4.18) 1.G50 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 :: 170.374 CA :: 44.897 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.700 HA2 :: 4.254 HA3 :: 3.947 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.726 Ave N Shift Values>> N :: 109.91(4.29) 1.N51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.21 D 0.09 Y 0.08 F 0.05 E 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 173.743 CA :: 53.248 CB :: 37.747 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 :: 9.058 HA :: 4.707 HB2 :: 2.851 HB3 :: 2.809 HD21 :: 7.834 HD22 :: 6.834 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 :: 117.420 ND2 :: 113.004 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 176.316 CA :: 62.713 CB :: 32.232 CG1 :: 23.842 CG2 :: 22.467 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 :: 8.435 HA :: 3.815 HB :: 1.863 HG11 :: 0.642 HG12 :: 0.642 HG13 :: 0.642 HG21 :: 0.750 HG22 :: 0.750 HG23 :: 0.750 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 :: 128.067 Ave N Shift Values>> N :: 121.02(4.96) 1.V53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.81 C 0.17 C Shift Assignments>> C :: 176.138 CA :: 63.344 CB :: 32.716 CG1 :: 20.989 CG2 :: 20.669 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 :: 9.093 HA :: 3.889 HB :: 1.736 HG11 :: 0.747 HG12 :: 0.747 HG13 :: 0.747 HG21 :: 0.728 HG22 :: 0.728 HG23 :: 0.728 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 :: 127.956 Ave N Shift Values>> N :: 121.02(4.96) 1.S54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.050 CA :: 57.170 CB :: 63.483 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.627 HA :: 4.824 HB2 :: 3.978 HB3 :: 3.727 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 :: 111.234 Ave N Shift Values>> N :: 116.3(3.95) 1.A55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 L 0.18 M 0.15 C 0.1 HN Overlap>> 1.K20 1.K20 1.A83 1.A83 C Shift Assignments>> C :: 174.389 CA :: 51.643 CB :: 21.732 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.865 HA :: 5.239 HB1 :: 1.207 HB2 :: 1.207 HB3 :: 1.207 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.605 Ave N Shift Values>> N :: 123.23(3.7) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 R 0.36 G 0.11 K 0.05 C Shift Assignments>> C :: 174.454 CA :: 54.592 CB :: 37.560 CG :: 25.263 CD :: 29.091 CE :: 43.357 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 :: 9.189 HA :: 4.849 HB2 :: 2.113 HB3 :: 2.040 HG2 :: 1.621 HG3 :: 1.327 HD2 :: 1.877 HD3 :: 1.690 HE2 :: 3.155 HE3 :: 3.114 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 :: 124.739 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.76 C 0.23 C Shift Assignments>> C :: 175.022 CA :: 63.170 CB :: 33.045 CG1 :: 23.357 CG2 :: 21.653 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 :: 9.181 HA :: 3.972 HB :: 1.926 HG11 :: 0.777 HG12 :: 0.777 HG13 :: 0.777 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 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 :: 129.049 Ave N Shift Values>> N :: 121.02(4.96) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.37 C Shift Assignments>> C :: 173.487 CA :: 58.389 CB :: 40.772 CD1 :: 131.489 CD2 :: 131.489 CE1 :: 130.852 CE2 :: 130.852 CZ :: 129.790 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 :: 8.899 HA :: 4.206 HB2 :: 1.953 HB3 :: 1.792 HD1 :: 6.690 HD2 :: 6.690 HE1 :: 7.096 HE2 :: 7.096 HZ :: 7.180 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 :: 130.809 Ave N Shift Values>> N :: 120.69(4.18) 1.I59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 I 0.35 A 0.03 C Shift Assignments>> C :: 176.318 CA :: 57.871 CB :: 39.232 CG1 :: 26.349 CG2 :: 16.914 CD1 :: 10.341 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 :: 8.505 HA :: 4.377 HB :: 1.680 HG12 :: 1.417 HG13 :: 1.316 HG21 :: 0.632 HG22 :: 0.632 HG23 :: 0.632 HD11 :: 0.663 HD12 :: 0.663 HD13 :: 0.663 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 :: 129.045 Ave N Shift Values>> N :: 121.6(4.72) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.19 D 0.16 C 0.1 K 0.1 F 0.04 Y 0.03 G 0.03 N 0.02 C Shift Assignments>> C :: 177.346 CA :: 54.165 CB :: 42.850 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 :: 8.672 HA :: 4.842 HB2 :: 3.397 HB3 :: 2.568 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 :: 127.101 Ave N Shift Values>> N :: 120.73(4.2) 1.K61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.18 M 0.02 C Shift Assignments>> C :: 177.788 CA :: 58.608 CB :: 32.291 CG :: 24.842 CD :: 29.146 CE :: 41.901 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 :: 9.180 HA :: 4.066 HB2 :: 1.880 HB3 :: 1.829 HG2 :: 1.491 HG3 :: 1.491 HD2 :: 1.644 HD3 :: 1.644 HE2 :: 2.974 HE3 :: 2.974 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 :: 128.138 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 Q 0.21 E 0.2 K 0.19 M 0.05 I 0.03 R 0.02 C Shift Assignments>> C :: 177.840 CA :: 58.030 CB :: 29.371 CG :: 34.529 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 :: 8.826 HA :: 4.331 HB2 :: 2.310 HB3 :: 2.232 HG2 :: 2.493 HG3 :: 2.407 HE21 :: 7.693 HE22 :: 6.914 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 :: 117.167 NE2 :: 112.348 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 175.609 CA :: 61.678 CB :: 70.905 CG2 :: 21.452 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 :: 7.871 HA :: 4.347 HB :: 4.343 HG21 :: 1.228 HG22 :: 1.228 HG23 :: 1.228 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 :: 107.066 Ave N Shift Values>> N :: 115.7(5.05) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.23 C 0.23 Y 0.16 F 0.11 D 0.1 E 0.07 L 0.02 M 0.02 I 0.02 C Shift Assignments>> C :: 173.676 CA :: 55.018 CB :: 38.077 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 :: 8.604 HA :: 4.279 HB2 :: 3.121 HB3 :: 2.830 HD21 :: 7.433 HD22 :: 6.739 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 :: 117.020 ND2 :: 112.004 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.42 L 0.36 C 0.14 A 0.05 C Shift Assignments>> C :: 176.915 CA :: 53.420 CB :: 44.843 CG :: 26.246 CD1 :: 25.232 CD2 :: 22.903 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 :: 7.597 HA :: 4.695 HB2 :: 1.745 HB3 :: 1.450 HG :: 1.612 HD11 :: 0.926 HD12 :: 0.926 HD13 :: 0.926 HD21 :: 0.903 HD22 :: 0.903 HD23 :: 0.903 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 :: 117.379 Ave N Shift Values>> N :: 121.98(4.07) 1.S66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.106 CA :: 57.997 CB :: 63.887 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.667 HA :: 4.560 HB2 :: 4.053 HB3 :: 3.956 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 :: 114.666 Ave N Shift Values>> N :: 116.3(3.95) 1.K67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 K 0.33 R 0.31 M 0.01 HN Overlap>> 1.Y31 1.Y31 C Shift Assignments>> C :: 176.100 CA :: 56.224 CB :: 31.747 CG :: 26.419 CD :: 28.742 CE :: 42.106 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 :: 8.862 HA :: 4.640 HB2 :: 2.358 HB3 :: 1.426 HG2 :: 1.914 HG3 :: 1.660 HD2 :: 2.168 HD3 :: 2.020 HE2 :: 3.482 HE3 :: 3.422 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 :: 124.754 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.29 V 0.2 C 0.16 K 0.11 T 0.11 L 0.03 R 0.03 P 0.01 M 0.01 C Shift Assignments>> C :: 173.005 CA :: 61.248 CB :: 24.230 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 10.071 HA :: 3.277 HB2 :: 3.310 HB3 :: 3.214 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 :: 112.274 Ave N Shift Values>> N :: 119.95(4.79) 1.F69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.48 C 0.46 G 0.04 C Shift Assignments>> C :: 172.290 CA :: 55.045 CB :: 42.357 CD1 :: 133.204 CD2 :: 133.204 CE1 :: 130.751 CE2 :: 130.751 CZ :: 129.704 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 :: 7.325 HA :: 5.124 HB2 :: 2.960 HB3 :: 2.751 HD1 :: 6.851 HD2 :: 6.851 HE1 :: 6.890 HE2 :: 6.890 HZ :: 5.919 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 :: 112.903 Ave N Shift Values>> N :: 120.69(4.18) 1.G70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.1 L 0.06 C Shift Assignments>> C :: 181.567(S) CA :: 46.125 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.863 HA2 :: 4.315 HA3 :: 3.836 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.074 Ave N Shift Values>> N :: 109.91(4.29) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.31 G 0.08 HN Overlap>> 1.Q40 1.Q40 C Shift Assignments>> C :: 174.773 CA :: 56.077 CB :: 43.053 CD1 :: 131.110 CD2 :: 131.110 CE1 :: 131.095 CE2 :: 131.095 CZ :: 128.369 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 :: 8.790 HA :: 5.442 HB2 :: 2.269 HB3 :: 2.269 HD1 :: 6.842 HD2 :: 6.842 HE1 :: 7.398 HE2 :: 7.398 HZ :: 7.493 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 :: 115.863 Ave N Shift Values>> N :: 120.69(4.18) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.37 I 0.01 C Shift Assignments>> C :: 173.781 CA :: 61.115 CB :: 36.600 CG1 :: 21.411 CG2 :: 22.209 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 :: 7.725 HA :: 4.449 HB :: 1.152 HG11 :: 0.380 HG12 :: 0.380 HG13 :: 0.380 HG21 :: 0.297 HG22 :: 0.297 HG23 :: 0.297 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 :: 118.631 Ave N Shift Values>> N :: 121.02(4.96) 1.S73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.745 CA :: 58.063 CB :: 64.868 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.945 HA :: 5.444 HB2 :: 4.195 HB3 :: 3.874 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 :: 123.893 Ave N Shift Values>> N :: 116.3(3.95) 1.Y74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.35 G 0.03 C Shift Assignments>> C :: 173.849 CA :: 57.615 CB :: 42.504 CD1 :: 132.235 CD2 :: 132.235 CE1 :: 118.360 CE2 :: 118.360 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 :: 8.774 HA :: 5.445 HB2 :: 3.494 HB3 :: 3.005 HD1 :: 6.913 HD2 :: 6.913 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 :: 123.141 Ave N Shift Values>> N :: 120.79(4.69) 1.D75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 N 0.2 L 0.14 C 0.11 F 0.06 K 0.06 Y 0.05 R 0.01 C Shift Assignments>> C :: 176.802 CA :: 53.211 CB :: 40.725 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 :: 7.973 HA :: 4.582 HB2 :: 3.209 HB3 :: 2.484 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 :: 113.126 Ave N Shift Values>> N :: 120.73(4.2) 1.N76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.18 L 0.16 C 0.13 K 0.05 F 0.03 R 0.03 Y 0.02 G 0.01 C Shift Assignments>> C :: 173.388 CA :: 51.287 CB :: 41.553 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 :: 7.290 HA :: 5.139 HB2 :: 2.977 HB3 :: 2.923 HD21 :: 8.064 HD22 :: 7.298 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 :: 114.090 ND2 :: 114.801 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 C 0.31 C Shift Assignments>> C :: 177.622 CA :: 64.742 CB :: 32.864 CG :: 27.489 CD :: 51.701 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 :: 4.289 HB2 :: 2.299 HB3 :: 2.148 HG2 :: 2.205 HG3 :: 2.055 HD2 :: 4.093 HD3 :: 3.632 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.V78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.D107 1.D107 C Shift Assignments>> C :: 179.651 CA :: 66.490 CB :: 31.408 CG1 :: 22.395 CG2 :: 21.114 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 :: 8.157 HA :: 3.727 HB :: 2.128 HG11 :: 1.058 HG12 :: 1.058 HG13 :: 1.058 HG21 :: 0.976 HG22 :: 0.976 HG23 :: 0.976 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 :: 121.032 Ave N Shift Values>> N :: 121.02(4.96) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.034 CA :: 61.492 CB :: 62.944 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.918 HA :: 4.056 HB2 :: 3.310 HB3 :: 3.021 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 :: 118.067 Ave N Shift Values>> N :: 116.3(3.95) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.38 I 0.03 C 0.03 C Shift Assignments>> C :: 178.605 CA :: 55.053 CB :: 18.239 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 6.446 HA :: 3.844 HB1 :: 1.611 HB2 :: 1.611 HB3 :: 1.611 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.191 Ave N Shift Values>> N :: 123.23(3.7) 1.Q81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 K 0.23 Q 0.23 R 0.12 E 0.06 I 0.02 M 0.02 C Shift Assignments>> C :: 178.464 CA :: 58.615 CB :: 27.786 CG :: 33.475 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 :: 7.738 HA :: 3.910 HB2 :: 2.193 HB3 :: 2.157 HG2 :: 2.533 HG3 :: 2.533 HE21 :: 7.929 HE22 :: 6.917 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 :: 115.645 NE2 :: 112.472 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.37 I 0.03 C 0.02 HN Overlap>> 1.R103 1.R103 C Shift Assignments>> C :: 180.002 CA :: 55.037 CB :: 17.974 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.852 HA :: 4.088 HB1 :: 1.632 HB2 :: 1.632 HB3 :: 1.632 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.245 Ave N Shift Values>> N :: 123.23(3.7) 1.A83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.47 M 0.43 C 0.04 L 0.01 I 0.01 V 0.01 HN Overlap>> 1.K20 1.A55 1.K20 1.A55 C Shift Assignments>> C :: 179.844 CA :: 54.678 CB :: 19.302 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.917 HA :: 2.437(S) HB1 :: 1.492 HB2 :: 1.492 HB3 :: 1.492 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.656 Ave N Shift Values>> N :: 123.23(3.7) 1.I84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 C Shift Assignments>> C :: 177.947 CA :: 66.553 CB :: 38.787 CG1 :: 30.443 CG2 :: 17.458 CD1 :: 13.974 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 :: 8.069 HA :: 3.245 HB :: 1.823 HG12 :: 1.836 HG13 :: 0.598 HG21 :: 0.944 HG22 :: 0.944 HG23 :: 0.944 HD11 :: 0.796 HD12 :: 0.796 HD13 :: 0.796 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 :: 118.964 Ave N Shift Values>> N :: 121.6(4.72) 1.Q85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.23 K 0.23 E 0.1 R 0.07 I 0.02 M 0.02 C Shift Assignments>> C :: 178.615 CA :: 58.710 CB :: 28.375 CG :: 33.850 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 :: 7.836 HA :: 3.980 HB2 :: 2.149 HB3 :: 2.149 HG2 :: 2.487 HG3 :: 2.487 HE21 :: 7.508 HE22 :: 6.887 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 :: 116.270 NE2 :: 112.004 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.92 T 0.07 C Shift Assignments>> C :: 175.535 CA :: 61.569 CB :: 64.947 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.527 HA :: 4.457 HB2 :: 3.679 HB3 :: 3.463 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 :: 110.699 Ave N Shift Values>> N :: 116.3(3.95) 1.M87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 C 0.34 A 0.14 C Shift Assignments>> C :: 177.799 CA :: 53.803 CB :: 31.703 CG :: 32.673 CE :: 15.798 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 :: 8.368 HA :: 4.926 HB2 :: 2.045 HB3 :: 1.825 HG2 :: 1.915 HG3 :: 1.830 HE1 :: 1.063 HE2 :: 1.063 HE3 :: 1.063 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 :: 114.508 Ave N Shift Values>> N :: 120.1(3.88) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.25 C 0.22 F 0.2 D 0.08 N 0.06 I 0.06 E 0.05 L 0.03 C Shift Assignments>> C :: 176.629 CA :: 56.725 CB :: 38.709 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 :: 8.338 HA :: 4.486 HB2 :: 3.081 HB3 :: 3.081 HD21 :: 7.864 HD22 :: 7.029 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 :: 118.742 ND2 :: 114.800 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G89 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 :: 173.118 CA :: 45.644 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.149 HA2 :: 4.386 HA3 :: 3.636 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 118.404 Ave N Shift Values>> N :: 109.91(4.29) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 174.745 CA :: 59.365 CB :: 41.053 CD1 :: 132.016 CD2 :: 132.016 CE1 :: 131.226 CE2 :: 131.226 CZ :: 129.706 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 :: 7.978 HA :: 4.228 HB2 :: 3.355 HB3 :: 2.951 HD1 :: 7.097 HD2 :: 7.097 HE1 :: 7.300 HE2 :: 7.300 HZ :: 7.309 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 :: 123.376 Ave N Shift Values>> N :: 120.69(4.18) 1.Q91 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 M 0.07 R 0.06 C Shift Assignments>> C :: 174.269 CA :: 55.779 CB :: 29.068 CG :: 33.561 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 :: 7.989 HA :: 4.619 HB2 :: 1.806 HB3 :: 1.700 HG2 :: 2.081 HG3 :: 2.081 HE21 :: 7.398 HE22 :: 6.664 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 :: 128.462 NE2 :: 110.693 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.36 C Shift Assignments>> C :: 175.576 CA :: 59.912 CB :: 39.741 CG1 :: 27.794 CG2 :: 16.848 CD1 :: 14.893 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 :: 8.502 HA :: 4.207 HB :: 1.697 HG12 :: 1.538 HG13 :: 1.069 HG21 :: 0.851 HG22 :: 0.851 HG23 :: 0.851 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 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 :: 126.402 Ave N Shift Values>> N :: 121.6(4.72) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.18 L 0.04 C Shift Assignments>> CA :: 46.990 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.948 HA2 :: 3.898 HA3 :: 3.651 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.789 Ave N Shift Values>> N :: 109.91(4.29) 1.M94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.38 A 0.13 C Shift Assignments>> C :: 175.969 CA :: 55.412 CB :: 32.258 CG :: 32.291 CE :: 16.786 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 :: 8.938 HA :: 4.422 HB2 :: 2.252 HB3 :: 1.982 HG2 :: 2.644 HG3 :: 2.509 HE1 :: 2.073 HE2 :: 2.073 HE3 :: 2.073 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 :: 123.019 Ave N Shift Values>> N :: 120.1(3.88) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.37 R 0.21 G 0.01 C Shift Assignments>> C :: 174.498 CA :: 54.960 CB :: 35.178 CG :: 25.271 CD :: 28.864 CE :: 42.319 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 :: 7.823 HA :: 4.476 HB2 :: 1.772 HB3 :: 1.643 HG2 :: 1.265 HG3 :: 1.172 HD2 :: 1.331 HD3 :: 1.278 HE2 :: 2.876 HE3 :: 2.810 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 :: 119.532 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.33 K 0.16 G 0.1 C Shift Assignments>> C :: 177.910 CA :: 54.362 CB :: 31.813 CG :: 28.068 CD :: 43.475 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 :: 4.795 HB2 :: 1.554 HB3 :: 1.354 HG2 :: 1.499 HG3 :: 1.259 HD2 :: 3.140 HD3 :: 3.109 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 :: 119.458 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.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.26 G 0.11 R 0.1 C Shift Assignments>> C :: 178.216 CA :: 55.850 CB :: 43.615 CG :: 26.739 CD1 :: 25.849 CD2 :: 23.927 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 :: 8.984 HA :: 4.304 HB2 :: 2.120 HB3 :: 1.399 HG :: 1.961 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 HD21 :: 0.669 HD22 :: 0.669 HD23 :: 0.669 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 :: 122.285 Ave N Shift Values>> N :: 121.98(4.07) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.35 R 0.17 M 0.02 G 0.01 C Shift Assignments>> C :: 174.600 CA :: 54.865 CB :: 33.927 CG :: 24.922 CD :: 29.302 CE :: 42.109 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 :: 8.161 HA :: 5.035 HB2 :: 1.343 HB3 :: 1.608 HG2 :: 1.421 HG3 :: 1.354 HD2 :: 1.772 HD3 :: 1.675 HE2 :: 3.031 HE3 :: 3.031 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 :: 123.443 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.51 C 0.48 C Shift Assignments>> C :: 173.642 CA :: 61.335 CB :: 34.787 CG1 :: 22.239 CG2 :: 23.364 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 :: 8.704 HA :: 4.754 HB :: 1.815 HG11 :: 0.973 HG12 :: 0.973 HG13 :: 0.973 HG21 :: 0.884 HG22 :: 0.884 HG23 :: 0.884 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 :: 124.057 Ave N Shift Values>> N :: 121.02(4.96) 1.Q100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 C 0.37 Q 0.06 K 0.01 E 0.01 C Shift Assignments>> C :: 174.188 CA :: 53.461 CB :: 32.709 CG :: 32.483 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 :: 8.868 HA :: 4.788 HB2 :: 2.133 HB3 :: 2.133 HG2 :: 2.352 HG3 :: 2.352 HE21 :: 7.798 HE22 :: 6.754 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 :: 121.773 NE2 :: 112.333 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.31 R 0.06 A 0.02 C Shift Assignments>> C :: 178.821 CA :: 56.108 CB :: 41.625 CG :: 26.747 CD1 :: 25.919 CD2 :: 22.746 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 :: 8.852 HA :: 4.584 HB2 :: 1.806 HB3 :: 1.627 HG :: 1.740 HD11 :: 0.999 HD12 :: 0.999 HD13 :: 0.999 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 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 :: 121.043 Ave N Shift Values>> N :: 121.98(4.07) 1.K102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.34 R 0.18 M 0.08 G 0.01 C Shift Assignments>> C :: 174.828 CA :: 56.452 CB :: 33.326 CG :: 24.467 CD :: 30.372 CE :: 42.260 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 :: 8.618 HA :: 4.436 HB2 :: 2.258 HB3 :: 1.700 HG2 :: 1.510 HG3 :: 1.311 HD2 :: 2.033 HD3 :: 1.729 HE2 :: 3.046 HE3 :: 3.046 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 :: 122.257 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.38 G 0.11 K 0.06 HN Overlap>> 1.A82 1.A82 C Shift Assignments>> C :: 176.016 CA :: 56.537 CB :: 30.872 CG :: 26.835 CD :: 43.718 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 :: 7.883 HA :: 4.223 HB2 :: 1.665 HB3 :: 1.468 HG2 :: 1.540 HG3 :: 1.493 HD2 :: 2.952 HD3 :: 2.952 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 :: 123.278 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.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.999 CA :: 58.088 CB :: 64.116 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.711 HA :: 4.534 HB2 :: 3.954 HB3 :: 3.886 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 :: 121.159 Ave N Shift Values>> N :: 116.3(3.95) 1.K105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.18 M 0.03 C Shift Assignments>> C :: 176.714 CA :: 57.154 CB :: 32.725 CG :: 24.732 CD :: 29.072 CE :: 41.973 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 :: 8.792 HA :: 4.238 HB2 :: 1.841 HB3 :: 1.782 HG2 :: 1.465 HG3 :: 1.465 HD2 :: 1.658 HD3 :: 1.658 HE2 :: 2.980 HE3 :: 2.980 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 :: 124.469 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.2 C 0.15 Y 0.08 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 175.005 CA :: 53.263 CB :: 38.901 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 :: 8.457 HA :: 4.710 HB2 :: 2.831 HB3 :: 2.701 HD21 :: 7.634 HD22 :: 6.963 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 :: 118.595 ND2 :: 113.231 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.2 K 0.14 C 0.1 F 0.08 N 0.07 Y 0.07 R 0.04 HN Overlap>> 1.V78 1.V78 C Shift Assignments>> C :: 176.520 CA :: 54.512 CB :: 41.295 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 :: 8.126 HA :: 4.610 HB2 :: 2.684 HB3 :: 2.684 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 :: 121.113 Ave N Shift Values>> N :: 120.73(4.2) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S110 1.S110 C Shift Assignments>> C :: 174.755 CA :: 58.763 CB :: 63.699 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.268 HA :: 4.386 HB2 :: 3.903 HB3 :: 3.864 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 :: 116.355 Ave N Shift Values>> N :: 116.3(3.95) 1.K109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.36 R 0.19 M 0.03 C Shift Assignments>> C :: 176.626 CA :: 56.356 CB :: 32.715 CG :: 24.643 CD :: 29.004 CE :: 42.013 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 :: 8.342 HA :: 4.364 HB2 :: 1.881 HB3 :: 1.787 HG2 :: 1.405 HG3 :: 1.405 HD2 :: 1.663 HD3 :: 1.663 HE2 :: 2.975 HE3 :: 2.975 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 :: 122.828 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.S108 1.S108 C Shift Assignments>> C :: 174.458 CA :: 58.358 CB :: 63.976 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.223 HA :: 4.480 HB2 :: 3.857 HB3 :: 3.857 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 :: 116.340 Ave N Shift Values>> N :: 116.3(3.95) 1.G111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.686 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.207 HA2 :: 4.133 HA3 :: 4.094 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.641 Ave N Shift Values>> N :: 109.91(4.29) 1.P112 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 :: 63.274 CB :: 32.205 CG :: 27.169 CD :: 49.791 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 :: 4.462 HB2 :: 2.269 HB3 :: 1.956 HG2 :: 2.001 HG3 :: 2.001 HD2 :: 3.614 HD3 :: 3.614 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.S113 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> H :: 8.513 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 :: 116.401 Ave N Shift Values>> N :: 116.3(3.95) 1.S114 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G115 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.U1 Overall Status: Residue type U not supported. 2.G2 Overall Status: Residue type G not supported. 2.U3 Overall Status: Residue type U not supported. 2.G4 Overall Status: Residue type G not supported. 2.U5 Overall Status: Residue type U not supported. 2.G6 Overall Status: Residue type G not supported. ########################################################################### Overall Results: #Consistent: 110 #Clerical: 0 #Suspicious: 5 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 115 #Suspicious: 0 C Shift Results: #Consistent: 462 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 751 #Duplicate: 0 #Unknown: 0 #Suspicious: 4 #Anomalous: 0 N Shift Results: #Consistent: 118 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.P34 HD3 = 2.256(S), Expected = 3.63, Std = 0.4000, ChiSquare = 5.9255e-04 1.D41 HB3 = 1.100(S), Expected = 2.70, Std = 0.2900, ChiSquare = 3.4436e-08 1.P48 HB3 = 0.161(S), Expected = 2.05, Std = 0.3900, ChiSquare = 1.2751e-06 1.G70 C = 181.567(S), Expected = 174.04, Std = 1.9400, ChiSquare = 1.0450e-04 1.A83 HA = 2.437(S), Expected = 4.26, Std = 0.4200, ChiSquare = 1.4217e-05