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: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.Q8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.26 K 0.25 E 0.14 R 0.05 I 0.01 C Shift Assignments>> CA :: 56.851 CB :: 28.887 CG :: 34.036 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>> HA :: 4.221 HB2 :: 2.075 HB3 :: 2.010 HG2 :: 2.352 HG3 :: 2.352 HE21 :: 6.828 HE22 :: 7.499 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>> NE2 :: 112.217 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.13 K 0.09 Q 0.04 C Shift Assignments>> CA :: 58.333 CB :: 29.545 CG :: 36.290 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 :: 8.480 HA :: 4.166 HB2 :: 2.040 HB3 :: 2.040 HG2 :: 2.323 HG3 :: 2.323 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 :: 121.149 Ave N Shift Values>> N :: 120.68(3.68) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.11 G 0.07 HN Overlap>> 1.L134 1.L134 C Shift Assignments>> C :: 177.350 CA :: 57.731 CB :: 30.061 CG :: 27.958 CD :: 43.399 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 :: 8.336 HA :: 4.131 HB2 :: 1.726 HB3 :: 1.726 HG2 :: 1.638 HG3 :: 1.638 HD2 :: 3.150 HD3 :: 3.080 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 :: 120.177 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.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.34 R 0.04 C Shift Assignments>> CA :: 56.781 CB :: 41.875 CG :: 27.126 CD1 :: 24.209 CD2 :: 24.263 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 :: 7.741 HA :: 4.219 HB2 :: 1.671 HB3 :: 1.671 HG :: 1.601 HD21 :: 0.864 HD22 :: 0.864 HD23 :: 0.864 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 :: 120.410 Ave N Shift Values>> N :: 121.98(4.07) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.21 G 0.01 HN Overlap>> 1.I128 1.I128 C Shift Assignments>> CA :: 58.234 CB :: 32.530 CG :: 25.136 CD :: 29.512 CE :: 42.223 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 :: 7.816 HA :: 4.091 HB2 :: 1.891 HB3 :: 1.891 HG2 :: 1.381 HG3 :: 1.550 HD2 :: 1.690 HD3 :: 1.690 HE2 :: 2.911 HE3 :: 2.911 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 :: 119.365 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.79 C 0.2 C Shift Assignments>> C :: 176.914 CA :: 62.713 CB :: 38.264 CG1 :: 27.706 CG2 :: 17.642 CD1 :: 13.859 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 :: 7.851 HA :: 3.951 HB :: 1.868 HG12 :: 1.101 HG13 :: 1.583 HG21 :: 0.772 HG22 :: 0.772 HG23 :: 0.772 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) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.95 C 0.04 C Shift Assignments>> C :: 174.818 CA :: 63.172 CB :: 68.985 CG2 :: 21.485 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 :: 7.750 HA :: 4.021 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 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 :: 110.999 Ave N Shift Values>> N :: 115.7(5.05) 1.A15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 C 0.03 HN Overlap>> 1.V64 1.V64 C Shift Assignments>> C :: 177.593 CA :: 53.007 CB :: 18.747 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.922 HA :: 4.141 HB1 :: 1.409 HB2 :: 1.409 HB3 :: 1.409 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.429 Ave N Shift Values>> N :: 123.23(3.7) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.19 C 0.11 A 0.01 C Shift Assignments>> C :: 173.182 CA :: 51.524 CB :: 45.831 CG :: 26.796 CD1 :: 25.542 CD2 :: 24.080 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 :: 7.442 HA :: 4.653 HB2 :: 1.690 HG :: 1.701 HD11 :: 1.073 HD12 :: 1.073 HD13 :: 1.073 HD21 :: 0.972 HD22 :: 0.972 HD23 :: 0.972 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 :: 120.226 Ave N Shift Values>> N :: 121.98(4.07) 1.P17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.7 C 0.28 C Shift Assignments>> C :: 174.296 CA :: 62.007 CB :: 32.013 CG :: 27.052 CD :: 49.943 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.140 HB2 :: 2.096 HB3 :: 1.723 HG2 :: 1.861 HG3 :: 2.047 HD2 :: 3.191 HD3 :: 3.771 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.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.27 R 0.12 G 0.02 C Shift Assignments>> C :: 176.974 CA :: 55.043 CB :: 42.376 CG :: 27.051 CD1 :: 24.446 CD2 :: 26.013 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 :: 8.071 HA :: 4.097 HB2 :: 1.827 HB3 :: 1.040 HG :: 1.191 HD11 :: 0.732 HD12 :: 0.732 HD13 :: 0.732 HD21 :: 0.751 HD22 :: 0.751 HD23 :: 0.751 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.963 Ave N Shift Values>> N :: 121.98(4.07) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 174.515 CA :: 55.160 CB :: 39.292 CD1 :: 131.820 CD2 :: 131.820 CE1 :: 117.673 CE2 :: 117.673 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.108 HA :: 5.121 HB2 :: 3.077 HB3 :: 2.764 HD1 :: 7.052 HD2 :: 7.052 HE1 :: 6.853 HE2 :: 6.853 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 :: 127.955 Ave N Shift Values>> N :: 120.79(4.69) 1.F20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> F 0.61 C 0.38 C Shift Assignments>> C :: 171.170 CA :: 57.031 CB :: 40.937 CD1 :: 130.608 CD2 :: 130.608 CE1 :: 130.503 CE2 :: 130.503 CZ :: 130.121 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 :: 7.560 HA :: 4.281 HB2 :: 1.622(S) HB3 :: 1.263(S) HD1 :: 5.457 HD2 :: 5.457 HE1 :: 6.018 HE2 :: 6.018 HZ :: 6.912 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 :: 115.328 Ave N Shift Values>> N :: 120.69(4.18) 1.E21 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.55 Q 0.26 E 0.1 K 0.06 C Shift Assignments>> C :: 173.024 CA :: 53.025 CB :: 31.760 CG :: 33.987 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 :: 5.556(S) HA :: 5.191 HB2 :: 1.875 HB3 :: 1.441 HG2 :: 1.931 HG3 :: 1.860 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.643 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>> G 0.68 L 0.12 C 0.09 R 0.06 F 0.01 C Shift Assignments>> C :: 171.994 CA :: 45.013 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.721 HA2 :: 4.024 HA3 :: 3.107 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.155 Ave N Shift Values>> N :: 109.91(4.29) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.6 C 0.39 C Shift Assignments>> C :: 176.926 CA :: 60.013 CB :: 40.937 CD1 :: 132.360 CD2 :: 132.360 CE1 :: 132.229 CE2 :: 132.229 CZ :: 130.235 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 :: 8.881 HA :: 5.303 HB2 :: 3.118 HB3 :: 2.993 HD1 :: 7.384 HD2 :: 7.384 HE1 :: 7.588 HE2 :: 7.588 HZ :: 7.477 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 :: 119.442 Ave N Shift Values>> N :: 120.69(4.18) 1.L24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.77 L 0.1 G 0.06 A 0.06 HN Overlap>> 1.E35 1.E35 C Shift Assignments>> C :: 174.406 CA :: 54.437 CB :: 48.381 CG :: 26.831 CD1 :: 23.870 CD2 :: 23.670 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.072 HA :: 4.562 HB2 :: 1.440 HB3 :: 1.262 HG :: 1.009 HD11 :: -0.008 HD12 :: -0.008 HD13 :: -0.008 HD21 :: -0.181(S) HD22 :: -0.181(S) HD23 :: -0.181(S) 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 :: 122.488 Ave N Shift Values>> N :: 121.98(4.07) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.26 R 0.21 G 0.03 K 0.01 C Shift Assignments>> C :: 176.175 CA :: 54.242 CB :: 42.576 CG :: 28.356 CD1 :: 25.494 CD2 :: 24.986 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 :: 8.120 HA :: 5.480 HB2 :: 1.660 HB3 :: 1.078 HG :: 1.412 HD11 :: 0.595 HD12 :: 0.595 HD13 :: 0.595 HD21 :: 0.617 HD22 :: 0.617 HD23 :: 0.617 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 :: 120.790 Ave N Shift Values>> N :: 121.98(4.07) 1.I26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.45 A 0.03 C Shift Assignments>> C :: 174.757 CA :: 57.613 CB :: 41.343 CG1 :: 26.912 CG2 :: 16.411 CD1 :: 12.849 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.110 HA :: 5.232 HB :: 1.599 HG12 :: 0.990 HG13 :: 1.102 HG21 :: 0.480 HG22 :: 0.480 HG23 :: 0.480 HD11 :: 0.461 HD12 :: 0.461 HD13 :: 0.461 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.679 Ave N Shift Values>> N :: 121.6(4.72) 1.K27 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.41 K 0.39 R 0.17 C Shift Assignments>> C :: 175.557 CA :: 56.095 CB :: 35.056 CG :: 25.185 CD :: 29.378 CE :: 41.636 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 :: 9.150 HA :: 4.425 HB2 :: 0.333(S) HB3 :: 1.211 HG2 :: 0.968 HG3 :: 0.709 HD2 :: 0.980 HD3 :: 0.923 HE2 :: 2.283 HE3 :: 2.334 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.778 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R28 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.39 C 0.31 K 0.24 G 0.04 C Shift Assignments>> C :: 176.078 CA :: 54.542 CB :: 31.602 CG :: 27.983 CD :: 42.952 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 :: 5.868(S) HA :: 4.429 HB2 :: 1.989 HB3 :: 0.767(S) HG2 :: 1.240 HG3 :: 1.149 HD2 :: 2.981 HD3 :: 2.890 HE :: 7.940 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 :: 124.548 NE :: 82.701 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.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V58 1.V58 C Shift Assignments>> C :: 176.066 CA :: 61.019 CB :: 63.057 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.067 HA :: 4.181 HB2 :: 4.002 HB3 :: 3.951 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 :: 116.823 Ave N Shift Values>> N :: 116.3(3.95) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.73 L 0.1 C 0.08 R 0.04 C Shift Assignments>> CA :: 45.171 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.810 HA3 :: 4.172 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.Y31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.98 H 0.01 C Shift Assignments>> CB :: 37.249 CD1 :: 131.810 CD2 :: 131.810 CE1 :: 118.886 CE2 :: 118.886 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 :: 8.001 HA :: 4.729 HB2 :: 3.375 HB3 :: 3.291 HD1 :: 7.296 HD2 :: 7.296 HE1 :: 6.820 HE2 :: 6.820 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 :: 121.120 Ave N Shift Values>> N :: 120.79(4.69) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.41 C 0.36 K 0.16 G 0.04 C Shift Assignments>> C :: 176.066 CA :: 57.631 CB :: 30.861 CG :: 27.407 CD :: 43.117 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>> HA :: 4.204 HB2 :: 1.914 HB3 :: 1.822 HG2 :: 1.711 HG3 :: 1.651 HD2 :: 3.222 HD3 :: 3.222 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) 1.E33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.75 E 0.19 Q 0.04 HN Overlap>> 1.E135 1.E135 C Shift Assignments>> C :: 175.569 CA :: 53.695 CB :: 33.000 CG :: 35.632 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.700 HA :: 4.600 HB2 :: 2.107 HB3 :: 1.831 HG2 :: 2.192 HG3 :: 2.418 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 :: 115.988 Ave N Shift Values>> N :: 120.68(3.68) 1.Y34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 C Shift Assignments>> C :: 176.999 CA :: 59.537 CB :: 39.744 CD1 :: 134.076 CD2 :: 134.076 CE1 :: 118.159 CE2 :: 118.159 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 :: 8.755 HA :: 4.311 HB2 :: 2.799 HB3 :: 2.593 HD1 :: 6.950 HD2 :: 6.950 HE1 :: 6.516 HE2 :: 6.516 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 :: 118.663 Ave N Shift Values>> N :: 120.79(4.69) 1.E35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 E 0.29 Q 0.12 K 0.03 HN Overlap>> 1.L24 1.L24 C Shift Assignments>> C :: 174.406 CA :: 54.330 CB :: 31.972 CG :: 35.303 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 :: 9.024 HA :: 4.401 HB2 :: 1.310(S) HB3 :: 1.181(S) HG2 :: 2.052 HG3 :: 1.945 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.488 Ave N Shift Values>> N :: 120.68(3.68) 1.H36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.36 W 0.31 C 0.31 C Shift Assignments>> C :: 174.127 CA :: 55.607 CB :: 31.396 CD2 :: 119.191 CE1 :: 137.701 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 :: 8.639 HA :: 4.980 HB2 :: 3.221 HB3 :: 2.824 HD2 :: 6.811 HE1 :: 7.270 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 123.767 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.35 G 0.01 C Shift Assignments>> C :: 177.969 CA :: 55.407 CB :: 42.089 CD1 :: 132.438 CD2 :: 132.438 CE1 :: 117.504 CE2 :: 117.504 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 :: 8.931 HA :: 5.668 HB2 :: 3.410 HB3 :: 2.561 HD1 :: 6.784 HD2 :: 6.784 HE1 :: 6.490 HE2 :: 6.490 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 :: 124.075 Ave N Shift Values>> N :: 120.79(4.69) 1.W38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 C 0.41 C Shift Assignments>> C :: 174.345 CA :: 58.230 CB :: 28.846 CD1 :: 125.861 CE3 :: 120.381 CZ2 :: 114.235 CZ3 :: 121.742 CH2 :: 123.374 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.931 HA :: 4.329 HB2 :: 2.883 HB3 :: 2.708 HD1 :: 6.512 HE1 :: 10.428 HE3 :: 5.359 HZ2 :: 7.090 HZ3 :: 6.682 HH2 :: 6.945 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 125.317 NE1 :: 129.552 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 173.303 CA :: 62.037 CB :: 70.295 CG2 :: 22.390 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 :: 8.366 HA :: 5.535 HB :: 3.893 HG21 :: 0.851 HG22 :: 0.851 HG23 :: 0.851 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 :: 127.024 Ave N Shift Values>> N :: 115.7(5.05) 1.E40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 E 0.04 C Shift Assignments>> C :: 175.351 CA :: 53.607 CB :: 34.639 CG :: 36.208 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 :: 8.902 HA :: 4.816 HB2 :: 2.320 HB3 :: 1.757 HG2 :: 2.404 HG3 :: 2.233 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.613 Ave N Shift Values>> N :: 120.68(3.68) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.26 C 0.24 L 0.19 A 0.15 G 0.14 C Shift Assignments>> C :: 174.806 CA :: 53.872 CB :: 43.610 CG :: 28.116 CD1 :: 27.315 CD2 :: 21.943 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 :: 8.910 HA :: 5.168 HB2 :: 1.911 HB3 :: 1.421 HG :: 1.721 HD11 :: 1.011 HD12 :: 1.011 HD13 :: 1.011 HD21 :: 0.789 HD22 :: 0.789 HD23 :: 0.789 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.682 Ave N Shift Values>> N :: 121.98(4.07) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.17 G 0.03 C Shift Assignments>> C :: 176.272 CA :: 53.643 CB :: 33.205 CG :: 29.105 CD :: 42.623 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.150 HA :: 5.182 HB2 :: 1.709 HB3 :: 1.301 HG2 :: 1.101 HG3 :: 1.414 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 :: 127.645 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.G43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.18 L 0.03 C Shift Assignments>> C :: 171.630 CA :: 47.025 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 6.304 HA2 :: 3.917 HA3 :: 3.812 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.565 Ave N Shift Values>> N :: 109.91(4.29) 1.T44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.15 S 0.01 C Shift Assignments>> C :: 172.515 CA :: 60.207 CB :: 68.320 CG2 :: 21.814 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 :: 7.841 HA :: 4.313 HB :: 4.449 HG21 :: 1.090 HG22 :: 1.090 HG23 :: 1.090 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 :: 111.769 Ave N Shift Values>> N :: 115.7(5.05) 1.T45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.94 C 0.05 HN Overlap>> 1.I55 1.I55 C Shift Assignments>> C :: 172.224 CA :: 62.413 CB :: 69.848 CG2 :: 21.485 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 :: 8.500 HA :: 4.664 HB :: 3.819 HG21 :: -0.186(S) HG22 :: -0.186(S) HG23 :: -0.186(S) Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.681 Ave N Shift Values>> N :: 115.7(5.05) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.69 C 0.17 G 0.08 R 0.03 C Shift Assignments>> C :: 174.260 CA :: 52.654 CB :: 42.911 CG :: 26.420 CD1 :: 25.697 CD2 :: 24.976 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 :: 8.391 HA :: 4.892 HB2 :: 1.393 HB3 :: 0.488 HG :: 1.559 HD11 :: 0.761 HD12 :: 0.761 HD13 :: 0.761 HD21 :: 0.750 HD22 :: 0.750 HD23 :: 0.750 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 :: 125.559 Ave N Shift Values>> N :: 121.98(4.07) 1.F47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.62 C 0.32 G 0.04 C Shift Assignments>> C :: 173.363 CA :: 57.454 CB :: 42.747 CD1 :: 131.860 CD2 :: 131.860 CE1 :: 131.140 CE2 :: 131.140 CZ :: 129.483 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 :: 9.131 HA :: 3.940 HB2 :: 2.879 HB3 :: 2.331 HD1 :: 6.324 HD2 :: 6.324 HE1 :: 6.919 HE2 :: 6.919 HZ :: 7.109 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 121.095 Ave N Shift Values>> N :: 120.69(4.18) 1.F48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.57 C 0.42 C Shift Assignments>> C :: 173.727 CA :: 56.166 CB :: 39.169 CD1 :: 132.005 CD2 :: 132.005 CE1 :: 130.529 CE2 :: 130.529 CZ :: 128.310 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 :: 7.881 HA :: 5.021 HB2 :: 2.013 HB3 :: 1.741 HD1 :: 6.863 HD2 :: 6.863 HE1 :: 6.804 HE2 :: 6.804 HZ :: 6.640 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 :: 120.063 Ave N Shift Values>> N :: 120.69(4.18) 1.Y49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 Y 0.45 G 0.01 C Shift Assignments>> C :: 176.587 CA :: 56.254 CB :: 41.842 CD1 :: 134.354 CD2 :: 134.354 CE1 :: 118.591 CE2 :: 118.591 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.972 HA :: 5.190 HB2 :: 3.423 HB3 :: 3.367 HD1 :: 7.269 HD2 :: 7.269 HE1 :: 6.541 HE2 :: 6.541 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 :: 121.415 Ave N Shift Values>> N :: 120.79(4.69) 1.T50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.793 CA :: 65.361 CB :: 69.043 CG2 :: 22.801 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.511 HA :: 4.571 HB :: 4.458 HG21 :: 1.525 HG22 :: 1.525 HG23 :: 1.525 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 :: 114.446 Ave N Shift Values>> N :: 115.7(5.05) 1.D51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.19 G 0.15 D 0.12 C 0.12 K 0.03 F 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 174.685 CA :: 53.254 CB :: 43.586 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 :: 7.828 HA :: 4.803 HB2 :: 2.969 HB3 :: 2.917 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.656 Ave N Shift Values>> N :: 120.73(4.2) 1.K52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.41 C 0.4 R 0.17 C Shift Assignments>> C :: 176.671 CA :: 58.372 CB :: 32.178 CG :: 24.116 CD :: 29.098 CE :: 41.636 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 :: 8.271 HA :: 2.800 HB2 :: 0.832(S) HB3 :: 0.680(S) HG2 :: 0.198(S) HG3 :: 0.050(S) HD2 :: 0.910 HD3 :: 1.000 HE2 :: 2.290 HE3 :: 2.326 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 :: 119.009 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.34 R 0.23 C Shift Assignments>> C :: 176.950 CA :: 55.830 CB :: 32.301 CG :: 24.857 CD :: 28.887 CE :: 42.083 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 :: 8.068 HA :: 4.109 HB2 :: 1.671 HB3 :: 1.793 HG2 :: 1.231 HG3 :: 1.270 HD2 :: 1.571 HD3 :: 1.571 HE2 :: 2.901 HE3 :: 2.901 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 116.395 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 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 :: 174.394 CA :: 59.395 CB :: 64.337 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.549 HA :: 4.316 HB2 :: 4.110 HB3 :: 4.202 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 :: 116.653 Ave N Shift Values>> N :: 116.3(3.95) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 C 0.23 HN Overlap>> 1.L109 1.L109 1.T45 1.T45 C Shift Assignments>> C :: 174.999 CA :: 62.213 CB :: 38.728 CG1 :: 26.986 CG2 :: 18.153 CD1 :: 13.589 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 :: 8.424 HA :: 4.267 HB :: 2.040 HG12 :: 1.226 HG13 :: 1.424 HG21 :: 0.909 HG22 :: 0.909 HG23 :: 0.909 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 :: 118.660 Ave N Shift Values>> N :: 121.6(4.72) 1.I56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.266 CA :: 59.342 CB :: 39.506 CG1 :: 27.109 CG2 :: 17.250 CD1 :: 12.634 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 :: 7.771 HA :: 4.561 HB :: 1.771 HG12 :: 1.120 HG13 :: 1.441 HG21 :: 0.773 HG22 :: 0.773 HG23 :: 0.773 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.568 Ave N Shift Values>> N :: 121.6(4.72) 1.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.63 Y 0.34 H 0.01 C Shift Assignments>> C :: 174.902 CA :: 56.201 CB :: 37.230 CD1 :: 134.512 CD2 :: 134.512 CE1 :: 118.285 CE2 :: 118.285 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.251 HA :: 4.261 HB2 :: 3.102 HB3 :: 1.958 HD1 :: 6.784 HD2 :: 6.784 HE1 :: 6.753 HE2 :: 6.753 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) 1.V58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 HN Overlap>> 1.S29 1.S29 C Shift Assignments>> C :: 175.812 CA :: 62.360 CB :: 33.123 CG1 :: 21.601 CG2 :: 20.638 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 :: 9.157 HA :: 4.251 HB :: 2.104 HG11 :: 1.016 HG12 :: 1.016 HG13 :: 1.016 HG21 :: 0.963 HG22 :: 0.963 HG23 :: 0.963 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 116.888 Ave N Shift Values>> N :: 121.02(4.96) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.28 D 0.2 R 0.15 C 0.12 G 0.07 K 0.06 N 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 172.346 CA :: 52.601 CB :: 42.952 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 :: 7.990 HA :: 4.970 HB2 :: 2.961 HB3 :: 2.381 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.301 Ave N Shift Values>> N :: 120.73(4.2) 1.K60 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.62 K 0.18 A 0.08 G 0.05 R 0.04 C Shift Assignments>> C :: 173.666 CA :: 54.718 CB :: 35.097 CG :: 22.601 CD :: 29.957 CE :: 42.705 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 :: 8.991 HA :: 4.761 HB2 :: 1.110 HB3 :: 0.601(S) HG2 :: 0.811 HG3 :: 1.140 HD2 :: 1.221 HD3 :: 1.118 HE2 :: 2.936 HE3 :: 2.898 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 118.648 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 G 0.3 L 0.15 A 0.07 C Shift Assignments>> C :: 173.630 CA :: 54.065 CB :: 47.032 CG :: 26.766 CD1 :: 27.051 CD2 :: 23.311 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 :: 8.702 HA :: 4.462 HB2 :: 1.663 HB3 :: 1.240 HG :: 1.251 HD11 :: 0.713 HD12 :: 0.713 HD13 :: 0.713 HD21 :: 0.832 HD22 :: 0.832 HD23 :: 0.832 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.890 Ave N Shift Values>> N :: 121.98(4.07) 1.D62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.16 N 0.15 C 0.11 F 0.08 K 0.07 Y 0.07 R 0.01 C Shift Assignments>> C :: 178.029 CA :: 53.819 CB :: 40.772 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 :: 8.868 HA :: 4.841 HB2 :: 2.741 HB3 :: 2.338 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 :: 128.697 Ave N Shift Values>> N :: 120.73(4.2) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.42 C Shift Assignments>> C :: 175.617 CA :: 60.736 CB :: 38.364 CG1 :: 26.013 CG2 :: 18.259 CD1 :: 16.221 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 9.261 HA :: 4.554 HB :: 2.275 HG12 :: 1.121 HG13 :: 1.261 HG21 :: 0.811 HG22 :: 0.811 HG23 :: 0.811 HD11 :: 0.780 HD12 :: 0.780 HD13 :: 0.780 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.253 Ave N Shift Values>> N :: 121.6(4.72) 1.V64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.12 HN Overlap>> 1.A15 1.A15 C Shift Assignments>> C :: 174.878 CA :: 65.572 CB :: 30.532 CG1 :: 21.978 CG2 :: 18.746 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 :: 8.010 HA :: 3.781 HB :: 2.442 HG11 :: 1.050 HG12 :: 1.050 HG13 :: 1.050 HG21 :: 0.800 HG22 :: 0.800 HG23 :: 0.800 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.413 Ave N Shift Values>> N :: 121.02(4.96) 1.D65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.26 C 0.12 L 0.1 F 0.07 Y 0.07 K 0.02 C Shift Assignments>> C :: 174.854 CA :: 53.483 CB :: 40.114 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 :: 8.391 HA :: 4.841 HB2 :: 2.796 HB3 :: 2.549 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 :: 119.308 Ave N Shift Values>> N :: 120.73(4.2) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 L 0.27 R 0.23 G 0.1 C Shift Assignments>> C :: 176.708 CA :: 57.471 CB :: 43.322 CG :: 26.626 CD1 :: 26.713 CD2 :: 27.051 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 :: 7.517 HA :: 3.962 HB2 :: 1.933 HB3 :: 1.830 HG :: 1.451 HD11 :: 0.955 HD12 :: 0.955 HD13 :: 0.955 HD21 :: 0.829 HD22 :: 0.829 HD23 :: 0.829 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 :: 120.009 Ave N Shift Values>> N :: 121.98(4.07) 1.T67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 175.145 CA :: 64.019 CB :: 69.107 CG2 :: 22.225 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.329 HA :: 4.363 HB :: 4.078 HG21 :: 1.233 HG22 :: 1.233 HG23 :: 1.233 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 :: 123.534 Ave N Shift Values>> N :: 115.7(5.05) 1.C68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.14 K 0.14 W 0.14 E 0.13 H 0.13 C 0.11 R 0.1 I 0.04 L 0.01 C Shift Assignments>> C :: 170.528 CA :: 57.402 CB :: 29.175 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.584 HA :: 4.604 HB2 :: 2.947 HB3 :: 3.039 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 :: 115.015 Ave N Shift Values>> N :: 119.95(4.79) 1.L69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.41 C 0.23 L 0.23 R 0.1 C Shift Assignments>> C :: 176.356 CA :: 54.242 CB :: 44.885 CG :: 28.065 CD1 :: 26.584 CD2 :: 25.234 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 :: 8.730 HA :: 5.411 HB2 :: 1.840 HB3 :: 1.391 HG :: 1.601 HD11 :: 0.724 HD12 :: 0.724 HD13 :: 0.724 HD21 :: 0.631 HD22 :: 0.631 HD23 :: 0.631 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 :: 125.633 Ave N Shift Values>> N :: 121.98(4.07) 1.T70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 173.582 CA :: 60.384 CB :: 70.870 CG2 :: 22.225 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.197 HA :: 4.702 HB :: 4.151 HG21 :: 1.210 HG22 :: 1.210 HG23 :: 1.210 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 :: 120.391 Ave N Shift Values>> N :: 115.7(5.05) 1.E71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.43 K 0.03 I 0.03 Q 0.02 C Shift Assignments>> C :: 175.957 CA :: 56.254 CB :: 31.396 CG :: 36.454 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 :: 8.965 HA :: 4.685 HB2 :: 2.121 HB3 :: 1.971 HG2 :: 2.211 HG3 :: 2.211 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 :: 124.718 Ave N Shift Values>> N :: 120.68(3.68) 1.Q72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.26 E 0.24 K 0.15 R 0.01 C Shift Assignments>> C :: 175.254 CA :: 55.336 CB :: 30.533 CG :: 34.627 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 :: 8.318 HA :: 4.629 HB2 :: 2.078 HB3 :: 1.781 HG2 :: 2.269 HG3 :: 2.321 HE21 :: 7.431 HE22 :: 6.809 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.543 NE2 :: 112.963 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.36 D 0.22 C 0.15 Y 0.09 F 0.08 L 0.05 C Shift Assignments>> C :: 175.229 CA :: 53.607 CB :: 39.169 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 :: 8.670 HA :: 4.688 HB2 :: 2.764 HB3 :: 2.764 HD21 :: 7.620 HD22 :: 6.924 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 :: 120.534 ND2 :: 112.736 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.I108 1.I108 C Shift Assignments>> C :: 175.121 CA :: 58.409 CB :: 64.401 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.641 HA :: 4.652 HB2 :: 3.891 HB3 :: 3.891 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.448 Ave N Shift Values>> N :: 116.3(3.95) 1.T75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 174.878 CA :: 62.819 CB :: 69.061 CG2 :: 22.061 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>> HA :: 4.282 HB :: 4.372 HG21 :: 1.222 HG22 :: 1.222 HG23 :: 1.222 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) 1.E76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 C 0.41 K 0.06 I 0.04 Q 0.03 C Shift Assignments>> C :: 176.138 CA :: 56.202 CB :: 30.532 CG :: 36.454 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 :: 8.156 HA :: 4.350 HB2 :: 2.011 HB3 :: 1.857 HG2 :: 2.211 HG3 :: 2.211 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.220 Ave N Shift Values>> N :: 120.68(3.68) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.36 R 0.23 C Shift Assignments>> C :: 176.465 CA :: 56.730 CB :: 32.301 CG :: 24.797 CD :: 28.970 CE :: 42.094 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 :: 8.443 HA :: 4.221 HB2 :: 1.841 HB3 :: 1.841 HG2 :: 1.490 HG3 :: 1.441 HD2 :: 1.696 HD3 :: 1.696 HE2 :: 3.020 HE3 :: 3.020 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 :: 122.162 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.21 D 0.11 Y 0.1 F 0.07 E 0.04 L 0.02 C Shift Assignments>> C :: 173.485 CA :: 53.748 CB :: 38.058 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 :: 8.621 HA :: 4.641 HB2 :: 3.010 HB3 :: 2.927 HD21 :: 7.677 HD22 :: 6.980 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 :: 116.583 ND2 :: 113.097 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 W 0.14 Q 0.14 H 0.14 R 0.12 K 0.12 C 0.12 I 0.03 V 0.01 C Shift Assignments>> C :: 172.515 CA :: 57.295 CB :: 29.628 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.551 HA :: 4.371 HB2 :: 2.889 HB3 :: 2.782 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 :: 112.640 Ave N Shift Values>> N :: 119.95(4.79) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.61 L 0.23 C 0.13 K 0.01 C Shift Assignments>> C :: 175.314 CA :: 51.330 CB :: 21.896 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.642 HA :: 4.727 HB1 :: 1.439 HB2 :: 1.439 HB3 :: 1.439 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.099 Ave N Shift Values>> N :: 123.23(3.7) 1.K81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 R 0.31 K 0.25 G 0.01 C Shift Assignments>> C :: 174.781 CA :: 55.283 CB :: 36.133 CG :: 25.451 CD :: 29.787 CE :: 42.132 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 :: 8.459 HA :: 5.112 HB2 :: 1.593 HB3 :: 1.807 HG2 :: 1.391 HG3 :: 1.241 HD2 :: 1.651 HD3 :: 1.580 HE2 :: 2.881 HE3 :: 2.881 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 :: 119.796 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.32 G 0.01 C Shift Assignments>> C :: 174.357 CA :: 55.643 CB :: 42.089 CD1 :: 131.944 CD2 :: 131.944 CE1 :: 130.719 CE2 :: 130.719 CZ :: 129.556 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 :: 8.748 HA :: 5.513 HB2 :: 3.288 HB3 :: 2.801 HD1 :: 6.975 HD2 :: 6.975 HE1 :: 7.173 HE2 :: 7.173 HZ :: 7.164 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 :: 119.073 Ave N Shift Values>> N :: 120.69(4.18) 1.T83 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 :: 173.472 CA :: 62.113 CB :: 71.076 CG2 :: 22.061 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.290 HA :: 5.032 HB :: 4.040 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.845 Ave N Shift Values>> N :: 115.7(5.05) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.28 R 0.11 K 0.01 C Shift Assignments>> C :: 174.308 CA :: 54.224 CB :: 41.636 CG :: 27.736 CD1 :: 24.456 CD2 :: 25.926 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.502 HA :: 4.691 HB2 :: 1.883 HB3 :: 1.353 HG :: 1.760 HD11 :: 0.939 HD12 :: 0.939 HD13 :: 0.939 HD21 :: 0.851 HD22 :: 0.851 HD23 :: 0.851 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 :: 125.923 Ave N Shift Values>> N :: 121.98(4.07) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 174.188 CA :: 63.649 CB :: 30.861 CG1 :: 21.336 CG2 :: 21.156 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 :: 8.620 HA :: 4.151 HB :: 2.358 HG11 :: 0.891 HG12 :: 0.891 HG13 :: 0.891 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 126.007 Ave N Shift Values>> N :: 121.02(4.96) 1.L86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.39 R 0.04 K 0.02 C Shift Assignments>> C :: 174.878 CA :: 53.183 CB :: 40.485 CG :: 28.374 CD1 :: 26.413 CD2 :: 24.720 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 :: 8.534 HA :: 4.853 HB2 :: 1.944 HB3 :: 2.041 HG :: 1.622 HD11 :: 0.918 HD12 :: 0.918 HD13 :: 0.918 HD21 :: 0.959 HD22 :: 0.959 HD23 :: 0.959 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 :: 129.551 Ave N Shift Values>> N :: 121.98(4.07) 1.P87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.25 C Shift Assignments>> C :: 178.223 CA :: 66.455 CB :: 32.260 CG :: 28.558 CD :: 50.026 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 :: 4.221 HB2 :: 1.841 HB3 :: 2.412 HG2 :: 2.211 HG3 :: 1.981 HD2 :: 3.841 HD3 :: 3.700 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.K88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.35 R 0.18 G 0.01 C Shift Assignments>> C :: 176.187 CA :: 55.071 CB :: 33.534 CG :: 25.022 CD :: 29.052 CE :: 42.212 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 :: 8.414 HA :: 4.548 HB2 :: 2.040 HB3 :: 1.735 HG2 :: 1.349 HG3 :: 1.404 HD2 :: 1.671 HD3 :: 1.671 HE2 :: 2.957 HE3 :: 2.957 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 :: 110.404 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 E 0.27 Q 0.04 C Shift Assignments>> C :: 172.527 CA :: 56.007 CB :: 33.082 CG :: 35.632 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.208 HA :: 4.561 HB2 :: 2.031 HB3 :: 1.933 HG2 :: 2.021 HG3 :: 2.021 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 :: 116.828 Ave N Shift Values>> N :: 120.68(3.68) 1.E90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.6 E 0.35 I 0.01 K 0.01 C Shift Assignments>> C :: 176.296 CA :: 54.860 CB :: 31.972 CG :: 36.912 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 :: 8.321 HA :: 5.249 HB2 :: 1.764 HB3 :: 1.871 HG2 :: 2.113 HG3 :: 2.323 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 :: 119.609 Ave N Shift Values>> N :: 120.68(3.68) 1.V91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.6 C 0.39 C Shift Assignments>> C :: 174.284 CA :: 61.284 CB :: 34.891 CG1 :: 21.082 CG2 :: 21.320 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 :: 8.972 HA :: 4.352 HB :: 1.887 HG11 :: 0.701 HG12 :: 0.701 HG13 :: 0.701 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 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 :: 123.947 Ave N Shift Values>> N :: 121.02(4.96) 1.Q92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.28 K 0.2 E 0.19 R 0.01 C Shift Assignments>> C :: 174.115 CA :: 55.583 CB :: 30.121 CG :: 34.316 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 :: 8.241 HA :: 4.930 HB2 :: 2.474 HB3 :: 1.881 HG2 :: 2.368 HG3 :: 2.319 HE21 :: 7.391 HE22 :: 6.750 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 :: 125.869 NE2 :: 111.829 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 C 0.26 L 0.23 R 0.01 C Shift Assignments>> C :: 176.256 CA :: 53.801 CB :: 45.913 CG :: 27.818 CD1 :: 25.762 CD2 :: 25.234 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.145 HA :: 5.456 HB2 :: 1.141 HB3 :: 1.141 HG :: 1.510 HD11 :: 0.617 HD12 :: 0.617 HD13 :: 0.617 HD21 :: 0.619 HD22 :: 0.619 HD23 :: 0.619 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.952 Ave N Shift Values>> N :: 121.98(4.07) 1.K94 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 K 0.26 R 0.22 C Shift Assignments>> C :: 174.563 CA :: 54.718 CB :: 36.571 CG :: 25.268 CD :: 29.792 CE :: 41.489 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 :: 9.255 HA :: 5.452 HB2 :: 1.341 HB3 :: 1.341 HG2 :: 1.240 HG3 :: 1.096 HD2 :: 1.159 HD3 :: 0.925 HE2 :: 2.431 HE3 :: 2.002(S) 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 :: 124.618 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.18 C Shift Assignments>> C :: 175.278 CA :: 59.908 CB :: 70.917 CG2 :: 22.143 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 :: 8.582 HA :: 4.946 HB :: 4.854 HG21 :: 1.244 HG22 :: 1.244 HG23 :: 1.244 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 :: 112.788 Ave N Shift Values>> N :: 115.7(5.05) 1.E96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 E 0.41 I 0.12 K 0.02 C Shift Assignments>> C :: 175.435 CA :: 57.595 CB :: 30.656 CG :: 37.277 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 :: 9.033 HA :: 4.321 HB2 :: 2.070 HB3 :: 2.229 HG2 :: 2.221 HG3 :: 2.335 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 :: 117.745 Ave N Shift Values>> N :: 120.68(3.68) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.29 C 0.12 L 0.1 F 0.05 Y 0.04 K 0.03 C Shift Assignments>> C :: 176.575 CA :: 52.195 CB :: 40.485 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 :: 7.562 HA :: 5.074 HB2 :: 3.232 HB3 :: 3.232 HD21 :: 7.864 HD22 :: 7.342 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 :: 110.462 ND2 :: 115.951 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.938 CA :: 66.349 CB :: 68.638 CG2 :: 22.380 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>> HA :: 3.916 HB :: 4.231 HG21 :: 1.271 HG22 :: 1.271 HG23 :: 1.271 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) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.46 C 0.31 E 0.19 K 0.02 C Shift Assignments>> C :: 179.241 CA :: 60.754 CB :: 28.764 CG :: 37.030 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 :: 9.316 HA :: 4.221 HB2 :: 2.160 HB3 :: 2.201 HG2 :: 2.399 HG3 :: 2.484 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 :: 125.868 Ave N Shift Values>> N :: 120.68(3.68) 1.S100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.411 CA :: 61.037 CB :: 63.879 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.739 HA :: 4.863 HB2 :: 4.331 HB3 :: 4.389 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 :: 114.755 Ave N Shift Values>> N :: 116.3(3.95) 1.G101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.62 A 0.12 C 0.09 N 0.06 G 0.03 D 0.02 C Shift Assignments>> C :: 174.611 CA :: 48.948 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.879 HA2 :: 4.139 HA3 :: 4.012 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.940 Ave N Shift Values>> N :: 109.91(4.29) 1.E102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.12 K 0.1 Q 0.05 C Shift Assignments>> C :: 179.084 CA :: 58.601 CB :: 29.627 CG :: 36.043 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.801 HA :: 4.171 HB2 :: 2.220 HB3 :: 2.041 HG2 :: 2.428 HG3 :: 2.428 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.720 Ave N Shift Values>> N :: 120.68(3.68) 1.E103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.4 E 0.16 C Shift Assignments>> C :: 178.235 CA :: 60.366 CB :: 30.491 CG :: 38.264 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.781 HA :: 3.739 HB2 :: 2.207 HB3 :: 1.812 HG2 :: 2.341 HG3 :: 1.884 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 :: 119.068 Ave N Shift Values>> N :: 120.68(3.68) 1.W104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.67 C 0.31 C Shift Assignments>> C :: 178.817 CA :: 62.290 CB :: 29.340 CD1 :: 127.557 CE3 :: 118.767 CZ2 :: 114.955 CZ3 :: 120.729 CH2 :: 123.712 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.761 HA :: 4.171 HB2 :: 3.427 HB3 :: 3.186 HD1 :: 7.531 HE1 :: 10.278 HE3 :: 7.486 HZ2 :: 6.707 HZ3 :: 6.734 HH2 :: 6.470 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.358 NE1 :: 129.429 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.16 K 0.04 C Shift Assignments>> C :: 177.666 CA :: 60.666 CB :: 30.162 CG :: 27.818 CD :: 43.659 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 :: 8.400 HA :: 3.481 HB2 :: 1.654 HB3 :: 1.570 HG2 :: 0.949 HG3 :: 1.220 HD2 :: 2.991 HD3 :: 2.841 HE :: 7.621 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 :: 117.098 NE :: 83.421 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.G106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.61 C 0.25 P 0.04 A 0.03 L 0.02 N 0.01 C Shift Assignments>> C :: 176.162 CA :: 47.554 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.202 HA2 :: 3.470 HA3 :: 3.382 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.212 Ave N Shift Values>> N :: 109.91(4.29) 1.F107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.8 C 0.19 C Shift Assignments>> C :: 177.265 CA :: 64.284 CB :: 39.209 CD1 :: 130.798 CD2 :: 130.798 CE1 :: 131.562 CE2 :: 131.562 CZ :: 128.969 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 :: 8.491 HA :: 3.722 HB2 :: 2.670 HB3 :: 2.582 HD1 :: 6.554 HD2 :: 6.554 HE1 :: 6.720 HE2 :: 6.720 HZ :: 7.001 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 :: 122.710 Ave N Shift Values>> N :: 120.69(4.18) 1.I108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 C 0.05 HN Overlap>> 1.S74 1.S74 C Shift Assignments>> C :: 178.623 CA :: 66.384 CB :: 37.852 CG1 :: 30.471 CG2 :: 17.190 CD1 :: 13.618 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 :: 8.674 HA :: 3.523 HB :: 1.880 HG12 :: 2.241 HG13 :: 0.959 HG21 :: 0.797 HG22 :: 0.797 HG23 :: 0.797 HD11 :: 0.944 HD12 :: 0.944 HD13 :: 0.944 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 :: 117.395 Ave N Shift Values>> N :: 121.6(4.72) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 L 0.46 R 0.03 A 0.01 HN Overlap>> 1.I55 1.I55 C Shift Assignments>> C :: 178.635 CA :: 57.878 CB :: 40.854 CG :: 27.106 CD1 :: 25.449 CD2 :: 21.776 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 :: 8.378 HA :: 4.032 HB2 :: 1.742 HB3 :: 1.492 HG :: 1.761 HD11 :: 0.806 HD12 :: 0.806 HD13 :: 0.806 HD21 :: 0.811 HD22 :: 0.811 HD23 :: 0.811 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 :: 118.573 Ave N Shift Values>> N :: 121.98(4.07) 1.T110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 HN Overlap>> 1.E135 1.E135 C Shift Assignments>> C :: 177.265 CA :: 68.325 CB :: 68.230 CG2 :: 22.143 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 :: 7.600 HA :: 4.110 HB :: 4.019 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.926 Ave N Shift Values>> N :: 115.7(5.05) 1.V111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 174.793 CA :: 64.601 CB :: 32.007 CG1 :: 21.943 CG2 :: 19.300 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 :: 7.490 HA :: 3.912 HB :: 2.283 HG11 :: 0.957 HG12 :: 0.957 HG13 :: 0.957 HG21 :: 1.187 HG22 :: 1.187 HG23 :: 1.187 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 :: 109.123 Ave N Shift Values>> N :: 121.02(4.96) 1.T112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 177.265 CA :: 62.784 CB :: 69.290 CG2 :: 23.952 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 :: 7.410 HA :: 4.494 HB :: 4.220 HG21 :: 1.337 HG22 :: 1.337 HG23 :: 1.337 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 :: 107.046 Ave N Shift Values>> N :: 115.7(5.05) 1.E113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 E 0.38 I 0.13 K 0.06 C Shift Assignments>> C :: 176.745 CA :: 57.048 CB :: 29.422 CG :: 37.166 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 :: 8.541 HA :: 4.280 HB2 :: 2.179 HB3 :: 1.990 HG2 :: 2.201 HG3 :: 2.510 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.888 Ave N Shift Values>> N :: 120.68(3.68) 1.L114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 L 0.31 A 0.03 C Shift Assignments>> C :: 175.569 CA :: 55.213 CB :: 38.182 CG :: 26.566 CD1 :: 25.766 CD2 :: 23.283 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 :: 7.561 HA :: 4.042 HB2 :: 1.970 HB3 :: 1.391 HG :: 1.381 HD11 :: 0.851 HD12 :: 0.851 HD13 :: 0.851 HD21 :: 0.751 HD22 :: 0.751 HD23 :: 0.751 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 :: 114.453 Ave N Shift Values>> N :: 121.98(4.07) 1.S115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.521 CA :: 57.454 CB :: 64.505 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.113 HA :: 4.315 HB2 :: 3.603 HB3 :: 3.468 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 :: 110.010 Ave N Shift Values>> N :: 116.3(3.95) 1.V116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.62 C 0.37 C Shift Assignments>> C :: 175.024 CA :: 60.948 CB :: 32.177 CG1 :: 20.368 CG2 :: 20.956 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 :: 8.635 HA :: 4.210 HB :: 1.593 HG11 :: 0.621 HG12 :: 0.621 HG13 :: 0.621 HG21 :: 0.190 HG22 :: 0.190 HG23 :: 0.190 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 :: 129.442 Ave N Shift Values>> N :: 121.02(4.96) 1.P117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.478 CA :: 62.678 CB :: 31.931 CG :: 28.100 CD :: 51.259 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 :: 4.381 HB2 :: 2.255 HB3 :: 1.852 HG2 :: 1.990 HG3 :: 1.852 HD2 :: 3.792 HD3 :: 3.444 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.Q118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 C 0.27 K 0.22 E 0.18 R 0.02 C Shift Assignments>> C :: 176.575 CA :: 55.866 CB :: 29.704 CG :: 34.251 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 :: 8.576 HA :: 4.282 HB2 :: 2.180 HB3 :: 1.892 HG2 :: 2.396 HG3 :: 2.396 HE21 :: 7.499 HE22 :: 6.860 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 :: 118.498 NE2 :: 113.025 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.N119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.47 C 0.27 Y 0.06 E 0.06 D 0.05 F 0.03 K 0.01 C Shift Assignments>> C :: 174.842 CA :: 52.812 CB :: 37.071 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 :: 8.444 HA :: 4.727 HB2 :: 2.911 HB3 :: 2.713 HD21 :: 6.732 HD22 :: 7.620 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 :: 117.223 ND2 :: 112.189 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 V 0.47 C Shift Assignments>> C :: 175.484 CA :: 60.048 CB :: 34.028 CG1 :: 21.649 CG2 :: 19.429 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 :: 7.182 HA :: 4.381 HB :: 1.840 HG11 :: 0.719 HG12 :: 0.719 HG13 :: 0.719 HG21 :: 0.665 HG22 :: 0.665 HG23 :: 0.665 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 :: 114.038 Ave N Shift Values>> N :: 121.02(4.96) 1.S121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.096 CA :: 57.119 CB :: 62.528 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.313 HA :: 4.552 HB2 :: 3.849 HB3 :: 3.711 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.117 Ave N Shift Values>> N :: 116.3(3.95) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.2 C 0.16 A 0.04 C Shift Assignments>> C :: 176.526 CA :: 52.795 CB :: 45.790 CG :: 26.796 CD1 :: 26.584 CD2 :: 23.296 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 :: 7.470 HA :: 4.618 HB2 :: 1.491 HB3 :: 1.358 HG :: 1.341 HD11 :: 0.592 HD12 :: 0.592 HD13 :: 0.592 HD21 :: 0.731 HD22 :: 0.731 HD23 :: 0.731 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 :: 122.878 Ave N Shift Values>> N :: 121.98(4.07) 1.L123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.33 A 0.14 R 0.01 C Shift Assignments>> C :: 176.769 CA :: 53.748 CB :: 40.649 CG :: 27.306 CD1 :: 22.469 CD2 :: 25.429 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 :: 8.765 HA :: 4.574 HB2 :: 1.732 HB3 :: 1.660 HG :: 1.841 HD11 :: 0.987 HD12 :: 0.987 HD13 :: 0.987 HD21 :: 0.979 HD22 :: 0.979 HD23 :: 0.979 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 :: 122.054 Ave N Shift Values>> N :: 121.98(4.07) 1.P124 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 :: 66.281 CB :: 31.945 CG :: 27.930 CD :: 50.215 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 :: 4.232 HB2 :: 1.970 HB3 :: 2.418 HG2 :: 2.239 HG3 :: 2.121 HD2 :: 3.950 HD3 :: 3.800 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.G125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 176.696 CA :: 46.724 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 3.901 HA3 :: 3.901 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.Q126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.24 Q 0.22 K 0.17 I 0.02 R 0.01 C Shift Assignments>> C :: 178.235 CA :: 57.807 CB :: 30.039 CG :: 34.609 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 :: 7.495 HA :: 4.261 HB2 :: 2.511 HB3 :: 1.952 HG2 :: 2.461 HG3 :: 2.461 HE21 :: 7.041 HE22 :: 7.499 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 :: 120.404 NE2 :: 112.602 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 178.441 CA :: 67.231 CB :: 31.948 CG1 :: 21.814 CG2 :: 23.659 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 :: 7.839 HA :: 3.360 HB :: 2.180 HG11 :: 1.002 HG12 :: 1.002 HG13 :: 1.002 HG21 :: 0.898 HG22 :: 0.898 HG23 :: 0.898 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 :: 121.180 Ave N Shift Values>> N :: 121.02(4.96) 1.I128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.91 C 0.08 HN Overlap>> 1.K12 1.K12 C Shift Assignments>> C :: 178.599 CA :: 64.978 CB :: 37.976 CG1 :: 29.126 CG2 :: 17.208 CD1 :: 12.731 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 :: 7.725 HA :: 3.820 HB :: 1.903 HG12 :: 1.653 HG13 :: 1.240 HG21 :: 0.953 HG22 :: 0.953 HG23 :: 0.953 HD11 :: 0.852 HD12 :: 0.852 HD13 :: 0.852 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.369 Ave N Shift Values>> N :: 121.6(4.72) 1.K129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.37 C 0.34 R 0.26 C Shift Assignments>> C :: 178.902 CA :: 58.690 CB :: 31.725 CG :: 25.022 CD :: 28.558 CE :: 42.094 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 :: 7.204 HA :: 4.241 HB2 :: 2.090 HB3 :: 2.090 HG2 :: 1.724 HG3 :: 1.724 HD2 :: 1.921 HD3 :: 1.921 HE2 :: 3.120 HE3 :: 3.120 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 :: 119.356 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L130 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.8 L 0.1 A 0.07 C Shift Assignments>> C :: 178.756 CA :: 57.913 CB :: 40.197 CG :: 26.013 CD1 :: 25.756 CD2 :: 19.593 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 :: 7.750 HA :: 3.649 HB2 :: 1.786 HB3 :: 1.251 HG :: 1.340 HD11 :: 0.341 HD12 :: 0.341 HD13 :: 0.341 HD21 :: -0.503(S) HD22 :: -0.503(S) HD23 :: -0.503(S) 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 :: 118.271 Ave N Shift Values>> N :: 121.98(4.07) 1.H131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.48 C 0.29 H 0.21 C Shift Assignments>> C :: 178.392 CA :: 61.019 CB :: 29.951 CD2 :: 121.509 CE1 :: 138.274 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.732 HA :: 3.918 HB2 :: 3.250 HB3 :: 3.121 HD2 :: 7.090 HE1 :: 7.696 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.308 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.24 K 0.05 Q 0.01 C Shift Assignments>> C :: 179.907 CA :: 59.660 CB :: 29.627 CG :: 36.537 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 :: 8.030 HA :: 4.097 HB2 :: 2.313 HB3 :: 2.232 HG2 :: 2.561 HG3 :: 2.201 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 :: 121.443 Ave N Shift Values>> N :: 120.68(3.68) 1.V133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 C 0.07 C Shift Assignments>> C :: 176.575 CA :: 66.367 CB :: 31.203 CG1 :: 20.004 CG2 :: 23.459 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 :: 8.250 HA :: 3.352 HB :: 1.991 HG11 :: 0.119 HG12 :: 0.119 HG13 :: 0.119 HG21 :: 1.131 HG22 :: 1.131 HG23 :: 1.131 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 :: 121.281 Ave N Shift Values>> N :: 121.02(4.96) 1.L134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.63 L 0.34 R 0.01 HN Overlap>> 1.R10 1.R10 C Shift Assignments>> C :: 177.980 CA :: 58.154 CB :: 40.320 CG :: 26.791 CD1 :: 22.711 CD2 :: 26.420 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 :: 8.259 HA :: 3.645 HB2 :: 1.951 HB3 :: 1.203 HG :: 1.390 HD11 :: 0.733 HD12 :: 0.733 HD13 :: 0.733 HD21 :: 0.879 HD22 :: 0.879 HD23 :: 0.879 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 :: 120.134 Ave N Shift Values>> N :: 121.98(4.07) 1.E135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.19 K 0.09 Q 0.04 HN Overlap>> 1.E33 1.T110 1.E33 1.T110 C Shift Assignments>> C :: 179.834 CA :: 59.325 CB :: 29.134 CG :: 36.125 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.611 HA :: 3.972 HB2 :: 2.137 HB3 :: 2.137 HG2 :: 2.400 HG3 :: 2.400 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 :: 116.026 Ave N Shift Values>> N :: 120.68(3.68) 1.R136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.37 G 0.19 K 0.03 C Shift Assignments>> C :: 179.083 CA :: 59.131 CB :: 30.368 CG :: 27.829 CD :: 44.104 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 :: 7.789 HA :: 4.140 HB2 :: 2.249 HB3 :: 2.066 HG2 :: 2.041 HG3 :: 1.940 HD2 :: 3.394 HD3 :: 3.299 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 :: 119.681 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.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 E 0.21 K 0.19 Q 0.17 I 0.06 R 0.02 C Shift Assignments>> C :: 178.817 CA :: 58.036 CB :: 28.147 CG :: 35.074 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 :: 9.238 HA :: 4.637 HB2 :: 2.078 HB3 :: 1.781 HG2 :: 2.438 HG3 :: 2.196 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 :: 124.333 Ave N Shift Values>> N :: 120.68(3.68) 1.K138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 R 0.29 K 0.25 G 0.01 C Shift Assignments>> C :: 179.944 CA :: 60.754 CB :: 32.789 CG :: 26.667 CD :: 29.957 CE :: 41.883 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 :: 8.788 HA :: 3.899 HB2 :: 1.852 HB3 :: 1.852 HG2 :: 1.404 HG3 :: 1.721 HD2 :: 1.660 HD3 :: 1.660 HE2 :: 2.830 HE3 :: 2.962 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 :: 119.622 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.2 G 0.01 C Shift Assignments>> C :: 178.235 CA :: 59.166 CB :: 32.424 CG :: 25.268 CD :: 29.386 CE :: 42.212 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 :: 7.313 HA :: 4.070 HB2 :: 1.963 HB3 :: 1.963 HG2 :: 1.613 HG3 :: 1.452 HD2 :: 1.731 HD3 :: 1.731 HE2 :: 3.021 HE3 :: 3.021 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 :: 117.326 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R140 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.36 C 0.34 K 0.25 G 0.02 C Shift Assignments>> C :: 179.531 CA :: 59.184 CB :: 31.190 CG :: 28.147 CD :: 42.623 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 :: 8.344 HA :: 4.080 HB2 :: 2.183 HB3 :: 1.941 HG2 :: 1.718 HG3 :: 1.579 HD2 :: 3.481 HD3 :: 2.850 HE :: 9.850(S) Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.404 NE :: 81.813 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.R141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.12 G 0.07 C Shift Assignments>> C :: 178.671 CA :: 58.337 CB :: 30.327 CG :: 27.983 CD :: 43.363 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 :: 8.171 HA :: 4.034 HB2 :: 1.918 HB3 :: 1.918 HG2 :: 1.781 HG3 :: 1.871 HD2 :: 3.080 HD3 :: 3.201 HE :: 8.338 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 :: 115.667 NE :: 84.988 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.I142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.83 C 0.16 C Shift Assignments>> C :: 177.787 CA :: 63.178 CB :: 38.346 CG1 :: 28.346 CG2 :: 17.455 CD1 :: 13.260 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 :: 7.521 HA :: 4.074 HB :: 2.056 HG12 :: 1.661 HG13 :: 1.311 HG21 :: 0.968 HG22 :: 0.968 HG23 :: 0.968 HD11 :: 0.898 HD12 :: 0.898 HD13 :: 0.898 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 :: 118.031 Ave N Shift Values>> N :: 121.6(4.72) 1.E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.4 C 0.38 I 0.1 K 0.07 Q 0.02 C Shift Assignments>> C :: 177.217 CA :: 57.595 CB :: 29.998 CG :: 36.537 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 :: 8.041 HA :: 4.251 HB2 :: 2.108 HB3 :: 2.108 HG2 :: 2.462 HG3 :: 2.310 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.963 Ave N Shift Values>> N :: 120.68(3.68) 1.S144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.721 CA :: 58.801 CB :: 64.126 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.041 HA :: 4.538 HB2 :: 3.966 HB3 :: 3.966 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 :: 114.646 Ave N Shift Values>> N :: 116.3(3.95) 1.G145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 L 0.15 C 0.09 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 171.800 CA :: 44.854 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.982 HA2 :: 4.102 HA3 :: 4.231 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.299 Ave N Shift Values>> N :: 109.91(4.29) 1.P146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.17 C Shift Assignments>> C :: 177.496 CA :: 63.313 CB :: 32.177 CG :: 27.260 CD :: 49.826 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 :: 4.510 HB2 :: 2.314 HB3 :: 1.992 HG2 :: 2.041 HG3 :: 2.041 HD2 :: 3.671 HD3 :: 3.671 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.S147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.721 CA :: 58.390 CB :: 63.803 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.530 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 :: 116.436 Ave N Shift Values>> N :: 116.3(3.95) 1.S148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.957 CA :: 58.372 CB :: 64.008 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.348 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.952 Ave N Shift Values>> N :: 116.3(3.95) 1.G149 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 137 #Clerical: 0 #Suspicious: 12 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 141 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 8 Shift Relative Order (SRO) Results: #Consistent: 149 #Suspicious: 0 C Shift Results: #Consistent: 673 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent:1033 #Duplicate: 0 #Unknown: 0 #Suspicious: 24 #Anomalous: 0 N Shift Results: #Consistent: 143 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.F20 HB2 = 1.622(S), Expected = 2.99, Std = 0.3700, ChiSquare = 2.1791e-04 1.F20 HB3 = 1.263(S), Expected = 2.97, Std = 0.3800, ChiSquare = 7.0523e-06 1.E21 H = 5.556(S), Expected = 8.34, Std = 0.6100, ChiSquare = 5.0204e-06 1.L24 HD21 = -0.181(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.7741e-04 1.L24 HD22 = -0.181(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.7741e-04 1.L24 HD23 = -0.181(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.7741e-04 1.K27 HB2 = 0.333(S), Expected = 1.79, Std = 0.2500, ChiSquare = 5.6096e-09 1.R28 H = 5.868(S), Expected = 8.24, Std = 0.6000, ChiSquare = 7.7070e-05 1.R28 HB3 = 0.767(S), Expected = 1.78, Std = 0.2800, ChiSquare = 2.9705e-04 1.E35 HB2 = 1.310(S), Expected = 2.04, Std = 0.2200, ChiSquare = 9.0605e-04 1.E35 HB3 = 1.181(S), Expected = 2.04, Std = 0.2300, ChiSquare = 1.8788e-04 1.T45 HG21 = -0.186(S), Expected = 1.16, Std = 0.2800, ChiSquare = 1.5310e-06 1.T45 HG22 = -0.186(S), Expected = 1.16, Std = 0.2800, ChiSquare = 1.5310e-06 1.T45 HG23 = -0.186(S), Expected = 1.16, Std = 0.2800, ChiSquare = 1.5310e-06 1.K52 HB2 = 0.832(S), Expected = 1.79, Std = 0.2500, ChiSquare = 1.2711e-04 1.K52 HB3 = 0.680(S), Expected = 1.78, Std = 0.2600, ChiSquare = 2.3289e-05 1.K52 HG2 = 0.198(S), Expected = 1.38, Std = 0.2700, ChiSquare = 1.1990e-05 1.K52 HG3 = 0.050(S), Expected = 1.37, Std = 0.2900, ChiSquare = 5.3208e-06 1.K60 HB3 = 0.601(S), Expected = 1.78, Std = 0.2600, ChiSquare = 5.7709e-06 1.K94 HE3 = 2.002(S), Expected = 2.93, Std = 0.2000, ChiSquare = 3.4841e-06 1.L130 HD21 = -0.503(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.4610e-06 1.L130 HD22 = -0.503(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.4610e-06 1.L130 HD23 = -0.503(S), Expected = 0.76, Std = 0.2800, ChiSquare = 6.4610e-06 1.R140 HE = 9.850(S), Expected = 7.32, Std = 0.5200, ChiSquare = 1.1423e-06