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.P3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.0003 CA :: 65.5581 CB :: 31.7785 CG :: 27.9928 CD :: 50.8834 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.3587 HB2 :: 2.4493 HB3 :: 2.0047 HG2 :: 2.2355 HG3 :: 2.0720 HD2 :: 3.9710 HD3 :: 3.9710 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.49 E 0.42 K 0.05 Q 0.01 C Shift Assignments>> C :: 179.0907 CA :: 59.8555 CB :: 29.0252 CG :: 36.8839 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.6850 HA :: 4.1370 HB2 :: 2.0000 HB3 :: 2.0000 HG2 :: 2.4110 HG3 :: 2.3150 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.4730 Ave N Shift Values>> N :: 120.67(3.48) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.27 K 0.09 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.0016 CA :: 59.0834 CB :: 29.4334 CG :: 36.5240 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.9650 HA :: 4.0510 HB2 :: 2.1250 HB3 :: 2.1250 HG2 :: 2.3300 HG3 :: 2.3300 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.9290 Ave N Shift Values>> N :: 120.67(3.48) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.77 G 0.16 K 0.05 C Shift Assignments>> C :: 178.1925 CA :: 59.5256 CB :: 29.9670 CG :: 27.5732 CD :: 43.4668 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.0650 HA :: 4.1310 HB2 :: 1.9560 HB3 :: 1.9560 HG2 :: 1.8060 HG3 :: 1.6100 HD2 :: 3.2480 HD3 :: 3.2480 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.1059 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.24 K 0.13 Q 0.07 M 0.02 HN Overlap>> 2.D33 2.D33 C Shift Assignments>> C :: 179.1708 CA :: 59.5105 CB :: 29.3761 CG :: 35.9949 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1390 HA :: 4.0060 HB2 :: 2.1310 HB3 :: 2.1310 HG2 :: 2.3950 HG3 :: 2.2800 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 118.5815 Ave N Shift Values>> N :: 120.67(3.48) 1.R8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.76 G 0.17 K 0.05 C Shift Assignments>> C :: 178.7717 CA :: 59.6978 CB :: 30.1615 CG :: 27.5382 CD :: 43.5146 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.9350 HA :: 4.0285 HB2 :: 1.9690 HB3 :: 1.9690 HG2 :: 1.8133 HG3 :: 1.6273 HD2 :: 3.2430 HD3 :: 3.2430 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 119.4317 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.M9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.98 A 0.01 HN Overlap>> 2.F5 2.F5 C Shift Assignments>> C :: 178.4698 CA :: 58.4833 CB :: 32.0044 CG :: 31.6853 CE :: 16.9758 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.0420 HA :: 4.2795 HB2 :: 2.2843 HB3 :: 2.2843 HG2 :: 2.6915 HG3 :: 2.5810 HE1 :: 2.1260 HE2 :: 2.1260 HE3 :: 2.1260 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 120.1733 Ave N Shift Values>> N :: 120.09(3.57) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.Q42 1.Q42 C Shift Assignments>> C :: 177.5418 CA :: 65.7533 CB :: 37.8730 CG1 :: 30.4872 CG2 :: 17.6562 CD1 :: 13.4576 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.3380 HA :: 3.5325 HB :: 1.9420 HG12 :: 1.7795 HG13 :: 0.9575 HG21 :: 0.9085 HG22 :: 0.9085 HG23 :: 0.9085 HD11 :: 0.8315 HD12 :: 0.8315 HD13 :: 0.8315 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.3126 Ave N Shift Values>> N :: 121.46(4.28) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.21 G 0.01 C Shift Assignments>> C :: 179.6023 CA :: 60.4589 CB :: 32.5412 CG :: 25.5820 CD :: 29.3790 CE :: 42.1609 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0850 HA :: 3.9260 HB2 :: 1.9700 HB3 :: 1.9700 HG2 :: 1.6515 HG3 :: 1.4475 HD2 :: 1.7180 HD3 :: 1.7180 HE2 :: 3.0192 HE3 :: 3.0192 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.2550 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.36 E 0.09 R 0.09 I 0.04 M 0.02 C Shift Assignments>> C :: 179.0960 CA :: 59.0485 CB :: 28.3708 CG :: 33.9222 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.0930 HA :: 4.1330 HB2 :: 2.2370 HB3 :: 2.2370 HG2 :: 2.5470 HG3 :: 2.4280 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.0665 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 R 0.33 G 0.24 C Shift Assignments>> C :: 179.0234 CA :: 57.9372 CB :: 43.8261 CG :: 27.4223 CD1 :: 23.3755 CD2 :: 26.4453 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.4610 HA :: 4.2180 HB2 :: 2.0830 HB3 :: 1.2660 HG :: 1.8980 HD11 :: 0.9580 HD12 :: 0.9580 HD13 :: 0.9580 HD21 :: 0.7985 HD22 :: 0.7985 HD23 :: 0.7985 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.7569 Ave N Shift Values>> N :: 121.86(3.9) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.71 K 0.25 G 0.03 C Shift Assignments>> C :: 179.8544 CA :: 60.8134 CB :: 32.7338 CG :: 27.4147 CD :: 30.0303 CE :: 42.0128 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.6970 HA :: 3.9290 HB2 :: 1.8540 HB3 :: 1.9940 HG2 :: 1.3980 HG3 :: 1.3980 HD2 :: 1.6860 HD3 :: 1.6860 HE2 :: 2.8290 HE3 :: 2.8290 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.9095 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 K 0.21 Q 0.17 I 0.13 M 0.02 R 0.01 C Shift Assignments>> C :: 178.1662 CA :: 58.7092 CB :: 29.0125 CG :: 35.5019 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 7.7790 HA :: 4.3505 HB2 :: 2.1280 HB3 :: 2.1280 HG2 :: 2.3973 HG3 :: 2.3973 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.6352 Ave N Shift Values>> N :: 120.67(3.48) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.34 K 0.06 Q 0.02 M 0.02 C Shift Assignments>> C :: 178.9360 CA :: 59.9963 CB :: 29.7110 CG :: 36.5002 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.4490 HA :: 4.0440 HB2 :: 2.2200 HB3 :: 2.2200 HG2 :: 2.2320 HG3 :: 2.5233 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.0723 Ave N Shift Values>> N :: 120.67(3.48) 1.L17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.77 R 0.18 K 0.02 HN Overlap>> 1.E20 1.E20 C Shift Assignments>> C :: 177.8061 CA :: 58.4629 CB :: 41.4925 CG :: 27.0191 CD1 :: 24.4204 CD2 :: 27.1089 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.7490 HA :: 3.9905 HB2 :: 2.0650 HB3 :: 1.4810 HG :: 1.6520 HD11 :: 0.9700 HD12 :: 0.9700 HD13 :: 0.9700 HD21 :: 0.9155 HD22 :: 0.9155 HD23 :: 0.9155 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.5339 Ave N Shift Values>> N :: 121.86(3.9) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.12 K 0.06 C Shift Assignments>> C :: 180.3087 CA :: 59.6345 CB :: 30.1869 CG :: 27.3542 CD :: 43.2871 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.9030 HA :: 4.1450 HB2 :: 2.0750 HB3 :: 2.0750 HD2 :: 3.3460 HD3 :: 3.1540 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 118.6960 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.06 G 0.01 HN Overlap>> 1.E38 1.E38 C Shift Assignments>> C :: 180.6545 CA :: 58.3167 CB :: 42.0235 CG :: 27.0480 CD1 :: 25.1428 CD2 :: 23.5679 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.2810 HA :: 4.1370 HB2 :: 1.6715 HB3 :: 2.0390 HG :: 1.8097 HD11 :: 0.9477 HD12 :: 0.9477 HD13 :: 0.9477 HD21 :: 0.8945 HD22 :: 0.8945 HD23 :: 0.8945 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.6873 Ave N Shift Values>> N :: 121.86(3.9) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.35 K 0.31 E 0.2 R 0.06 I 0.04 M 0.01 HN Overlap>> 1.L17 1.L17 C Shift Assignments>> C :: 180.7561 CA :: 57.9447 CB :: 28.3473 CG :: 34.5465 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.7170 HA :: 4.5485 HB2 :: 1.9290 HB3 :: 1.8620 HG2 :: 2.9320 HG3 :: 2.1925 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.5699 Ave N Shift Values>> N :: 120.67(3.48) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.8 E 0.17 C Shift Assignments>> C :: 179.3522 CA :: 60.5463 CB :: 29.7131 CG :: 38.1641 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.3080 HA :: 4.0540 HB2 :: 2.0250 HB3 :: 2.2770 HG2 :: 2.5983 HG3 :: 2.1833 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.0909 Ave N Shift Values>> N :: 120.67(3.48) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.64 A 0.3 I 0.04 C Shift Assignments>> C :: 181.0145 CA :: 55.2490 CB :: 17.5571 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1220 HA :: 4.2260 HB1 :: 1.5710 HB2 :: 1.5710 HB3 :: 1.5710 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.5053 Ave N Shift Values>> N :: 123.23(3.54) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.16 C Shift Assignments>> C :: 178.3173 CA :: 59.4165 CB :: 32.3965 CG :: 25.3822 CD :: 29.3865 CE :: 41.8815 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.9600 HA :: 4.1446 HB2 :: 1.9699 HB3 :: 1.9699 HG2 :: 1.3512 HG3 :: 1.3512 HD2 :: 1.7404 HD3 :: 1.7404 HE2 :: 2.9214 HE3 :: 2.9214 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.9784 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.72 R 0.23 K 0.02 G 0.01 C Shift Assignments>> C :: 177.3338 CA :: 58.4836 CB :: 41.7494 CG :: 27.0634 CD1 :: 24.0216 CD2 :: 26.9802 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.7740 HA :: 4.0914 HB2 :: 2.4887 HB3 :: 2.5628 HG :: 1.6670 HD11 :: 1.0475 HD12 :: 1.0475 HD13 :: 1.0475 HD21 :: 1.1010 HD22 :: 1.1010 HD23 :: 1.1010 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.6894 Ave N Shift Values>> N :: 121.86(3.9) 1.V25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.7739 CA :: 66.9905 CB :: 31.9299 CG1 :: 21.1721 CG2 :: 23.0643 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.9480 HA :: 3.5545 HB :: 2.2133 HG11 :: 0.9900 HG12 :: 0.9900 HG13 :: 0.9900 HG21 :: 1.1487 HG22 :: 1.1487 HG23 :: 1.1487 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.3705 Ave N Shift Values>> N :: 121.14(4.54) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.96 R 0.02 C Shift Assignments>> C :: 178.9912 CA :: 58.4513 CB :: 41.8302 CG :: 27.0557 CD1 :: 24.7332 CD2 :: 24.2456 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.7810 HA :: 4.1310 HB2 :: 1.9510 HB3 :: 1.7485 HG :: 1.6480 HD11 :: 0.9390 HD12 :: 0.9390 HD13 :: 0.9390 HD21 :: 0.9390 HD22 :: 0.9390 HD23 :: 0.9390 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.4810 Ave N Shift Values>> N :: 121.86(3.9) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 R 0.28 G 0.07 C Shift Assignments>> C :: 179.4185 CA :: 58.4700 CB :: 42.6716 CG :: 26.6063 CD1 :: 22.8798 CD2 :: 26.4324 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.4270 HA :: 4.0570 HB2 :: 1.9930 HB3 :: 1.4303 HG :: 2.0427 HD11 :: 0.9395 HD12 :: 0.9395 HD13 :: 0.9395 HD21 :: 0.8525 HD22 :: 0.8525 HD23 :: 0.8525 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 118.6784 Ave N Shift Values>> N :: 121.86(3.9) 1.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.6 K 0.36 G 0.02 C Shift Assignments>> C :: 179.7571 CA :: 60.8155 CB :: 32.6108 CG :: 27.1003 CD :: 29.7540 CE :: 42.0750 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2700 HA :: 3.9240 HB2 :: 1.9780 HB3 :: 1.9780 HG2 :: 1.3910 HG3 :: 1.3910 HD2 :: 1.6960 HD3 :: 1.6960 HE2 :: 3.0010 HE3 :: 3.0010 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 117.2134 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.8 R 0.17 G 0.01 HN Overlap>> 1.K37 1.K37 C Shift Assignments>> C :: 179.8596 CA :: 59.5594 CB :: 32.5548 CG :: 25.2569 CD :: 29.4920 CE :: 42.0600 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.2310 HA :: 4.1230 HB2 :: 2.0220 HB3 :: 2.0220 HG2 :: 1.4600 HG3 :: 1.4600 HD2 :: 1.6870 HD3 :: 1.6870 HE2 :: 2.9610 HE3 :: 2.9610 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.4868 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.92 R 0.05 G 0.01 HN Overlap>> 2.L26 2.L26 C Shift Assignments>> C :: 179.9298 CA :: 57.8888 CB :: 41.9866 CG :: 26.8919 CD1 :: 25.1432 CD2 :: 23.2445 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.5970 HA :: 4.1590 HB2 :: 1.9620 HB3 :: 1.5845 HG :: 1.8140 HD11 :: 0.8880 HD12 :: 0.8880 HD13 :: 0.8880 HD21 :: 0.8950 HD22 :: 0.8950 HD23 :: 0.8950 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.0246 Ave N Shift Values>> N :: 121.86(3.9) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 G 0.13 K 0.11 L 0.01 C Shift Assignments>> C :: 177.9572 CA :: 58.9007 CB :: 29.8005 CG :: 26.6101 CD :: 43.4195 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.4410 HA :: 4.0547 HB2 :: 1.7281 HB3 :: 1.7281 HG2 :: 1.6550 HG3 :: 1.6550 HD2 :: 3.2260 HD3 :: 2.8790 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.2436 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.Q32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.37 K 0.37 R 0.11 E 0.07 I 0.03 M 0.02 C Shift Assignments>> C :: 178.1103 CA :: 58.5521 CB :: 28.3773 CG :: 33.7516 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.9540 HA :: 4.0990 HB2 :: 2.2260 HB3 :: 2.2260 HG2 :: 2.4970 HG3 :: 2.4970 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.1887 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.8820 CA :: 60.8939 CB :: 63.3573 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.0400 HA :: 4.3740 HB2 :: 4.0490 HB3 :: 4.0490 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 114.2068 Ave N Shift Values>> N :: 116.28(3.52) 1.Q34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.36 E 0.1 R 0.09 M 0.03 I 0.02 C Shift Assignments>> C :: 177.5755 CA :: 57.6159 CB :: 28.4603 CG :: 33.9466 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.9710 HA :: 4.2351 HB2 :: 2.1771 HB3 :: 2.1771 HG2 :: 2.6280 HG3 :: 2.4710 HE21 :: 7.1580 HE22 :: 7.5290 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.3847 NE2 :: 110.4118 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 2.I34 2.I34 C Shift Assignments>> C :: 177.4750 CA :: 63.1792 CB :: 38.5843 CG1 :: 27.9947 CG2 :: 17.2640 CD1 :: 13.4872 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9750 HA :: 4.0330 HB :: 1.9575 HG12 :: 1.2620 HG13 :: 1.6360 HG21 :: 0.9540 HG22 :: 0.9540 HG23 :: 0.9540 HD11 :: 0.8775 HD12 :: 0.8775 HD13 :: 0.8775 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.6424 Ave N Shift Values>> N :: 121.46(4.28) 1.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.39 K 0.36 E 0.12 R 0.05 M 0.04 I 0.01 C Shift Assignments>> C :: 176.7882 CA :: 57.0303 CB :: 28.9908 CG :: 33.9653 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.1100 HA :: 4.2610 HB2 :: 2.1455 HB3 :: 2.1455 HG2 :: 2.4585 HG3 :: 2.4585 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.6769 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.23 G 0.01 HN Overlap>> 1.K29 1.K29 C Shift Assignments>> C :: 177.3241 CA :: 57.2740 CB :: 32.8565 CG :: 24.7927 CD :: 28.9170 CE :: 42.1380 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.1380 HA :: 4.2470 HB2 :: 1.8860 HB3 :: 1.8860 HG2 :: 1.4900 HG3 :: 1.4900 HD2 :: 1.7030 HD3 :: 1.7030 HE2 :: 3.0070 HE3 :: 3.0070 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.4369 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.11 K 0.1 Q 0.07 I 0.06 HN Overlap>> 1.L19 1.L19 C Shift Assignments>> C :: 176.8851 CA :: 57.1196 CB :: 30.1020 CG :: 36.3934 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2640 HA :: 4.2490 HB2 :: 2.0290 HB3 :: 2.1010 HG2 :: 2.3670 HG3 :: 2.3130 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 120.7967 Ave N Shift Values>> N :: 120.67(3.48) 1.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.14 C Shift Assignments>> C :: 178.2390 CA :: 53.0703 CB :: 19.0714 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2470 HA :: 4.3590 HB1 :: 1.4660 HB2 :: 1.4660 HB3 :: 1.4660 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.1409 Ave N Shift Values>> N :: 123.23(3.54) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.3146 CA :: 61.8928 CB :: 69.8988 CG2 :: 21.6517 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.9780 HA :: 4.3260 HB :: 4.2740 HG21 :: 1.2500 HG22 :: 1.2500 HG23 :: 1.2500 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 112.2264 Ave N Shift Values>> N :: 115.42(4.75) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.1 C Shift Assignments>> C :: 177.4655 CA :: 52.6585 CB :: 19.2921 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.1390 HA :: 4.3530 HB1 :: 1.4280 HB2 :: 1.4280 HB3 :: 1.4280 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.2301 Ave N Shift Values>> N :: 123.23(3.54) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.4 K 0.34 E 0.11 M 0.1 R 0.02 HN Overlap>> 1.I10 1.I10 C Shift Assignments>> C :: 175.0587 CA :: 55.9036 CB :: 29.5368 CG :: 33.9335 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.3130 HA :: 4.3180 HB2 :: 2.1400 HB3 :: 2.0030 HG2 :: 2.4030 HG3 :: 2.4030 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.3673 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.82 R 0.15 G 0.01 C Shift Assignments>> CA :: 57.6784 CB :: 33.6746 CG :: 24.7364 CD :: 29.1647 CE :: 42.2344 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.0080 HA :: 4.1765 HB2 :: 1.8342 HB3 :: 1.7278 HG2 :: 1.4082 HG3 :: 1.4082 HD2 :: 1.6925 HD3 :: 1.6925 HE2 :: 3.0100 HE3 :: 3.0100 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 128.3508 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.79 R 0.18 G 0.01 C Shift Assignments>> C :: 176.0660 CA :: 56.2030 CB :: 33.1272 CG :: 24.7455 CD :: 29.1298 CE :: 42.1875 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> HA :: 4.3533 HB2 :: 1.8334 HB3 :: 1.7420 HG2 :: 1.4530 HG3 :: 1.4530 HD2 :: 1.7087 HD3 :: 1.7087 HE2 :: 3.0290 HE3 :: 3.0290 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 2.A4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 M 0.08 C Shift Assignments>> C :: 176.8844 CA :: 52.4066 CB :: 19.3844 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.2810 HA :: 4.2790 HB1 :: 1.3160 HB2 :: 1.3160 HB3 :: 1.3160 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.4726 Ave N Shift Values>> N :: 123.23(3.54) 2.F5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 HN Overlap>> 1.M9 1.M9 C Shift Assignments>> C :: 174.6375 CA :: 56.9312 CB :: 39.5693 CD1 :: 131.8150 CD2 :: 131.8150 CE1 :: 131.4200 CE2 :: 131.4200 CZ :: 129.6520 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 8.0820 HA :: 4.6830 HB2 :: 3.1100 HB3 :: 3.0495 HD1 :: 7.1860 HD2 :: 7.1860 HE1 :: 7.2750 HE2 :: 7.2750 HZ :: 7.2120 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 120.0696 Ave N Shift Values>> N :: 120.45(4.18) 2.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.2634 CA :: 60.1997 CB :: 38.7715 CG1 :: 27.1412 CG2 :: 17.4474 CD1 :: 12.0977 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.0450 HA :: 4.1290 HB :: 1.7956 HG12 :: 1.4200 HG13 :: 1.1700 HG21 :: 0.8115 HG22 :: 0.8115 HG23 :: 0.8115 HD11 :: 0.7998 HD12 :: 0.7998 HD13 :: 0.7998 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.3447 Ave N Shift Values>> N :: 121.46(4.28) 2.V7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.0869 CA :: 62.0898 CB :: 33.4786 CG1 :: 22.5455 CG2 :: 22.6797 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.5480 HA :: 4.2860 HB :: 1.8045 HG11 :: 1.1090 HG12 :: 1.1090 HG13 :: 1.1090 HG21 :: 1.0480 HG22 :: 1.0480 HG23 :: 1.0480 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 127.0177 Ave N Shift Values>> N :: 121.14(4.54) 2.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.6673 CA :: 60.0140 CB :: 72.2167 CG2 :: 21.5520 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 9.2740 HA :: 4.6940 HB :: 3.7250 HG21 :: 1.2845 HG22 :: 1.2845 HG23 :: 1.2845 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) N Shift Assignments>> N :: 118.8529 Ave N Shift Values>> N :: 115.42(4.75) 2.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 I 0.15 L 0.14 D 0.13 K 0.04 C Shift Assignments>> C :: 179.1791 CA :: 57.8738 CB :: 40.0888 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.9660 HA :: 4.4290 HB2 :: 2.7160 HB3 :: 2.6550 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.0979 Ave N Shift Values>> N :: 120.65(3.86) 2.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 I 0.28 K 0.1 Q 0.04 M 0.02 C Shift Assignments>> C :: 177.9998 CA :: 59.3975 CB :: 29.3420 CG :: 36.3170 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.3280 HA :: 4.1490 HB2 :: 1.9410 HB3 :: 2.0960 HG2 :: 2.3515 HG3 :: 2.3010 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 121.3276 Ave N Shift Values>> N :: 120.67(3.48) 2.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.35 K 0.23 L 0.19 D 0.12 I 0.07 R 0.02 C Shift Assignments>> C :: 179.8870 CA :: 57.8515 CB :: 41.0926 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.8400 HA :: 4.3740 HB2 :: 3.2290 HB3 :: 2.6300 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.0966 Ave N Shift Values>> N :: 120.65(3.86) 2.I12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.9615 CA :: 65.0706 CB :: 37.2917 CG1 :: 29.8234 CG2 :: 17.7079 CD1 :: 13.0616 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.4590 HA :: 3.5654 HB :: 2.1107 HG12 :: 1.1270 HG13 :: 1.6533 HG21 :: 0.9240 HG22 :: 0.9240 HG23 :: 0.9240 HD11 :: 0.8277 HD12 :: 0.8277 HD13 :: 0.8277 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.0071 Ave N Shift Values>> N :: 121.46(4.28) 2.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 G 0.1 K 0.08 C Shift Assignments>> C :: 179.7621 CA :: 59.6244 CB :: 29.9649 CG :: 27.4830 CD :: 43.1361 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.2450 HA :: 4.1700 HB2 :: 1.9627 HB3 :: 1.9627 HG2 :: 1.7670 HG3 :: 1.6520 HD2 :: 3.2660 HD3 :: 3.2120 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.1791 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.23 G 0.01 C Shift Assignments>> C :: 179.4587 CA :: 59.4399 CB :: 32.5551 CG :: 25.5688 CD :: 29.2826 CE :: 42.1375 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.5000 HA :: 4.0835 HB2 :: 2.0977 HB3 :: 2.0977 HG2 :: 1.7250 HG3 :: 1.5410 HD2 :: 1.7400 HD3 :: 1.7400 HE2 :: 2.9970 HE3 :: 2.9970 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.0434 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.Q15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 K 0.34 Q 0.22 M 0.01 C Shift Assignments>> C :: 177.9593 CA :: 57.1686 CB :: 26.5062 CG :: 32.7108 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 7.7660 HA :: 4.3830 HB2 :: 2.2055 HB3 :: 2.0605 HG2 :: 2.3705 HG3 :: 2.1910 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 120.8914 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.65 E 0.31 K 0.02 C Shift Assignments>> C :: 179.8281 CA :: 60.3439 CB :: 29.3697 CG :: 37.4562 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.1110 HA :: 3.9630 HB2 :: 2.4260 HB3 :: 2.0780 HG2 :: 2.5140 HG3 :: 2.2660 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 122.9775 Ave N Shift Values>> N :: 120.67(3.48) 2.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.51 I 0.36 K 0.07 Q 0.02 M 0.01 C Shift Assignments>> C :: 178.6952 CA :: 59.5836 CB :: 29.3042 CG :: 36.6232 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.1150 HA :: 4.0910 HB2 :: 2.1670 HB3 :: 2.1670 HG2 :: 2.4830 HG3 :: 2.2400 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.9053 Ave N Shift Values>> N :: 120.67(3.48) 2.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.81 K 0.08 G 0.08 L 0.01 C Shift Assignments>> C :: 178.8850 CA :: 59.3896 CB :: 29.5071 CG :: 27.4747 CD :: 42.9698 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 7.7800 HA :: 4.1240 HB2 :: 2.0170 HB3 :: 2.0170 HG2 :: 1.6425 HG3 :: 1.6425 HD2 :: 3.3615 HD3 :: 3.2306 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 121.1340 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.V19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 2.K24 2.K24 C Shift Assignments>> C :: 177.3431 CA :: 67.6192 CB :: 31.8136 CG1 :: 21.8949 CG2 :: 24.5655 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.2020 HA :: 3.3700 HB :: 2.3210 HG11 :: 0.9852 HG12 :: 0.9852 HG13 :: 0.9852 HG21 :: 1.0950 HG22 :: 1.0950 HG23 :: 1.0950 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 118.8633 Ave N Shift Values>> N :: 121.14(4.54) 2.Q20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.35 R 0.15 E 0.05 I 0.03 M 0.02 C Shift Assignments>> C :: 178.7468 CA :: 58.9315 CB :: 28.0037 CG :: 33.6082 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.0480 HA :: 4.0145 HB2 :: 2.2120 HB3 :: 2.2120 HG2 :: 2.5293 HG3 :: 2.5293 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 117.6030 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.36 K 0.35 E 0.1 R 0.09 I 0.05 M 0.01 C Shift Assignments>> C :: 179.3591 CA :: 59.0761 CB :: 28.3180 CG :: 34.0047 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.3350 HA :: 4.0850 HB2 :: 2.3587 HB3 :: 2.3587 HG2 :: 2.6493 HG3 :: 2.4643 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 119.1629 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 2.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.5579 CA :: 66.5914 CB :: 31.2455 CG1 :: 22.8472 CG2 :: 22.6726 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 8.0590 HA :: 3.7175 HB :: 2.1493 HG11 :: 1.1250 HG12 :: 1.1250 HG13 :: 1.1250 HG21 :: 1.0353 HG22 :: 1.0353 HG23 :: 1.0353 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 120.6084 Ave N Shift Values>> N :: 121.14(4.54) 2.R23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 G 0.27 K 0.08 C Shift Assignments>> C :: 178.7392 CA :: 60.7816 CB :: 29.8613 CG :: 28.3970 CD :: 43.4441 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.6940 HA :: 3.8617 HB2 :: 1.9225 HB3 :: 1.9225 HG2 :: 1.7790 HG3 :: 1.6270 HD2 :: 3.2730 HD3 :: 3.1765 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 120.8221 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 2.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.76 R 0.21 G 0.01 HN Overlap>> 2.V19 2.V19 C Shift Assignments>> C :: 178.7230 CA :: 59.1140 CB :: 32.1774 CG :: 24.8866 CD :: 28.9807 CE :: 42.1465 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.1670 HA :: 4.1470 HB2 :: 1.9716 HB3 :: 1.9716 HG2 :: 1.5625 HG3 :: 1.4860 HD2 :: 1.7280 HD3 :: 1.7280 HE2 :: 3.0090 HE3 :: 3.0090 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 118.8163 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.75 R 0.23 G 0.01 C Shift Assignments>> C :: 179.8957 CA :: 59.3412 CB :: 32.5383 CG :: 25.5429 CD :: 29.3024 CE :: 42.1233 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.6880 HA :: 4.1360 HB2 :: 1.9150 HB3 :: 1.9150 HG2 :: 1.7305 HG3 :: 1.5370 HD2 :: 1.7355 HD3 :: 1.7355 HE2 :: 2.9710 HE3 :: 2.9710 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.3430 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 2.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.67 R 0.23 K 0.08 HN Overlap>> 1.L30 1.L30 C Shift Assignments>> C :: 177.3595 CA :: 58.2141 CB :: 41.3251 CG :: 27.4967 CD1 :: 24.1941 CD2 :: 27.4513 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.5340 HA :: 4.1660 HB2 :: 2.1925 HB3 :: 1.4287 HG :: 1.6520 HD11 :: 0.9975 HD12 :: 0.9975 HD13 :: 0.9975 HD21 :: 0.9447 HD22 :: 0.9447 HD23 :: 0.9447 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 121.9491 Ave N Shift Values>> N :: 121.86(3.9) 2.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.46 I 0.44 K 0.05 Q 0.01 M 0.01 C Shift Assignments>> C :: 179.7481 CA :: 59.9514 CB :: 29.3420 CG :: 36.7916 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.5400 HA :: 3.9180 HB2 :: 2.2200 HB3 :: 2.0990 HG2 :: 2.4860 HG3 :: 2.2470 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 119.2271 Ave N Shift Values>> N :: 120.67(3.48) 2.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.52 I 0.37 K 0.06 M 0.01 Q 0.01 C Shift Assignments>> C :: 179.2277 CA :: 59.4260 CB :: 29.4530 CG :: 36.9044 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.2130 HA :: 4.0280 HB2 :: 2.0810 HB3 :: 2.0810 HG2 :: 2.5020 HG3 :: 2.2500 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.7771 Ave N Shift Values>> N :: 120.67(3.48) 2.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.54 M 0.41 I 0.02 C Shift Assignments>> C :: 180.0539 CA :: 54.8108 CB :: 18.6229 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.0170 HA :: 4.2240 HB1 :: 1.4900 HB2 :: 1.4900 HB3 :: 1.4900 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.7911 Ave N Shift Values>> N :: 123.23(3.54) 2.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.2 G 0.03 C Shift Assignments>> C :: 179.0131 CA :: 56.7929 CB :: 42.5068 CG :: 27.0185 CD1 :: 23.4235 CD2 :: 25.9145 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.3310 HA :: 4.0920 HB2 :: 1.9290 HB3 :: 1.5330 HG :: 1.8452 HD11 :: 0.9265 HD12 :: 0.9265 HD13 :: 0.9265 HD21 :: 0.8877 HD22 :: 0.8877 HD23 :: 0.8877 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 117.4813 Ave N Shift Values>> N :: 121.86(3.9) 2.M31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.86 A 0.13 C Shift Assignments>> C :: 176.5484 CA :: 56.1549 CB :: 32.6551 CG :: 32.1721 CE :: 16.8818 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.6830 HA :: 4.4470 HB2 :: 2.1680 HB3 :: 2.1680 HG2 :: 2.7730 HG3 :: 2.6770 HE1 :: 2.1220 HE2 :: 2.1220 HE3 :: 2.1220 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 116.9269 Ave N Shift Values>> N :: 120.09(3.57) 2.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C Shift Assignments>> C :: 177.7014 CA :: 53.2785 CB :: 19.1279 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.6340 HA :: 4.2590 HB1 :: 1.4585 HB2 :: 1.4585 HB3 :: 1.4585 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 122.5316 Ave N Shift Values>> N :: 123.23(3.54) 2.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.3 K 0.19 F 0.12 R 0.04 HN Overlap>> 1.E7 1.E7 C Shift Assignments>> C :: 176.4038 CA :: 54.8255 CB :: 41.4790 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.1450 HA :: 4.5925 HB2 :: 2.7340 HB3 :: 2.6390 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 118.6644 Ave N Shift Values>> N :: 120.65(3.86) 2.I34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.I35 1.I35 C Shift Assignments>> C :: 176.2315 CA :: 61.4590 CB :: 38.7451 CG1 :: 27.3455 CG2 :: 17.6627 CD1 :: 13.1583 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.9290 HA :: 4.2212 HB :: 1.9552 HG12 :: 1.5120 HG13 :: 1.2240 HG21 :: 0.9390 HG22 :: 0.9390 HG23 :: 0.9390 HD11 :: 0.8930 HD12 :: 0.8930 HD13 :: 0.8930 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.6425 Ave N Shift Values>> N :: 121.46(4.28) 2.L35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.06 A 0.03 G 0.02 C Shift Assignments>> C :: 176.5281 CA :: 55.1427 CB :: 42.3744 CG :: 27.0175 CD1 :: 25.0957 CD2 :: 23.3393 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.1940 HA :: 4.4770 HB2 :: 1.6763 HB3 :: 1.6763 HG :: 1.6643 HD11 :: 0.9535 HD12 :: 0.9535 HD13 :: 0.9535 HD21 :: 0.8942 HD22 :: 0.8942 HD23 :: 0.8942 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.0452 Ave N Shift Values>> N :: 121.86(3.9) 2.S36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> CA :: 60.1086 CB :: 64.9898 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.8050 HA :: 4.2675 HB2 :: 3.8575 HB3 :: 3.8575 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 122.1946 Ave N Shift Values>> N :: 116.28(3.52) ########################################################################### Overall Results: #Consistent: 79 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 75 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 79 #Suspicious: 0 C Shift Results: #Consistent: 357 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 588 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 74 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0