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.P2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.V5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.42 P 0.25 C 0.17 I 0.03 K 0.02 R 0.02 M 0.01 Q 0.01 E 0.01 H 0.01 C Shift Assignments>> C :: 175.679 CA :: 62.061 CB :: 32.907 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 :: 8.185 HA :: 4.095 HB :: 2.018 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 :: 121.812 Ave N Shift Values>> N :: 121.02(4.96) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 K 0.11 M 0.1 Q 0.07 I 0.01 C Shift Assignments>> CA :: 54.212 CB :: 29.839 CG :: 35.998 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 :: 8.488 HA :: 4.583 HB2 :: 1.885 HB3 :: 2.010 HG2 :: 2.276 HG3 :: 2.302 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 :: 126.375 Ave N Shift Values>> N :: 120.68(3.68) 1.P7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> CA :: 61.498 CB :: 30.906 CG :: 27.453 CD :: 50.428 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 :: 4.678 HB2 :: 1.923 HB3 :: 2.350 HG2 :: 2.011 HG3 :: 2.070 HD2 :: 3.654 HD3 :: 3.825 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.P8 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 :: 176.794 CA :: 63.279 CB :: 31.986 CG :: 27.412 CD :: 50.617 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 :: 4.411 HB2 :: 1.931 HB3 :: 2.310 HG2 :: 2.020 HG3 :: 2.056 HD2 :: 3.668 HD3 :: 3.850 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.N9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.51 D 0.28 C 0.19 C Shift Assignments>> C :: 175.143 CA :: 53.306 CB :: 38.867 CG :: 177.013 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 :: 8.510 HA :: 4.671 HB2 :: 2.793 HB3 :: 2.820 HD21 :: 6.957 HD22 :: 7.640 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.277 ND2 :: 112.625 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.12 K 0.07 Q 0.04 I 0.04 HN Overlap>> 1.I65 1.I65 C Shift Assignments>> C :: 176.377 CA :: 56.625 CB :: 30.455 CG :: 36.225 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 :: 8.300 HA :: 4.302 HB2 :: 1.940 HB3 :: 2.064 HG2 :: 2.223 HG3 :: 2.245 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 :: 121.205 Ave N Shift Values>> N :: 120.68(3.68) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 C 0.28 K 0.16 L 0.09 G 0.04 HN Overlap>> 1.L80 1.L80 1.R114 1.R114 C Shift Assignments>> C :: 175.411 CA :: 55.270 CB :: 29.298 CG :: 26.881 CD :: 42.948 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 :: 8.395 HA :: 4.586 HB2 :: 1.860 HB3 :: 1.916 HG2 :: 1.626 HG3 :: 1.730 HD2 :: 3.161 HD3 :: 3.246 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.999 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.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.755 CA :: 57.074 CB :: 65.469 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.742 HA :: 4.845 HB2 :: 3.860 HB3 :: 3.860 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.742 Ave N Shift Values>> N :: 116.3(3.95) 1.L13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.22 R 0.07 G 0.03 HN Overlap>> 1.A47 1.A47 C Shift Assignments>> C :: 174.884 CA :: 54.074 CB :: 42.617 CG :: 26.795 CD1 :: 25.495 CD2 :: 24.619 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 :: 7.889 HA :: 4.543 HB2 :: 0.668 HB3 :: 1.228 HG :: 0.938 HD11 :: 0.272 HD12 :: 0.272 HD13 :: 0.272 HD21 :: 0.435 HD22 :: 0.435 HD23 :: 0.435 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 :: 120.542 Ave N Shift Values>> N :: 121.98(4.07) 1.Q14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 Q 0.32 E 0.23 C Shift Assignments>> C :: 175.413 CA :: 55.148 CB :: 31.697 CG :: 34.424 CD :: 180.155 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 :: 8.316 HA :: 5.210 HB2 :: 2.195 HB3 :: 2.276 HG2 :: 2.426 HG3 :: 2.463 HE21 :: 6.861 HE22 :: 7.534 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 124.905 NE2 :: 110.400 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 I 0.46 A 0.01 C Shift Assignments>> C :: 174.304 CA :: 58.850 CB :: 41.763 CG1 :: 28.474 CG2 :: 17.868 CD1 :: 14.209 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 :: 9.167 HA :: 5.528 HB :: 1.698 HG12 :: 1.170 HG13 :: 1.565 HG21 :: 0.968 HG22 :: 0.968 HG23 :: 0.968 HD11 :: 0.784 HD12 :: 0.784 HD13 :: 0.784 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.063 Ave N Shift Values>> N :: 121.6(4.72) 1.T16 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 :: 174.164 CA :: 61.156 CB :: 70.360 CG2 :: 21.503 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 :: 9.035 HA :: 5.266 HB :: 4.126 HG21 :: 1.155 HG22 :: 1.155 HG23 :: 1.155 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 :: 121.824 Ave N Shift Values>> N :: 115.7(5.05) 1.M17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.37 C 0.36 A 0.25 I 0.01 C Shift Assignments>> C :: 174.778 CA :: 54.072 CB :: 35.741 CG :: 31.389 CE :: 16.620 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.023 HA :: 5.305 HB2 :: 1.638 HB3 :: 1.688 HG2 :: 1.975 HG3 :: 1.993 HE1 :: 1.281 HE2 :: 1.281 HE3 :: 1.281 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 126.143 Ave N Shift Values>> N :: 120.1(3.88) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.39 C 0.29 G 0.16 N 0.14 C Shift Assignments>> C :: 171.981 CA :: 53.283 CB :: 43.069 CG :: 176.085 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 :: 8.464 HA :: 4.731 HB2 :: 2.495 HB3 :: 2.558 HD21 :: 6.640 HD22 :: 7.542 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.639 ND2 :: 111.667 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.43 C 0.38 E 0.18 C Shift Assignments>> C :: 174.744 CA :: 55.193 CB :: 30.223 CG :: 34.192 CD :: 179.536 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 :: 8.932 HA :: 5.253 HB2 :: 1.677 HB3 :: 2.303 HG2 :: 2.403 HG3 :: 2.522 HE21 :: 7.108 HE22 :: 7.279 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 :: 125.806 NE2 :: 110.216 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.39 C 0.37 K 0.15 G 0.06 C Shift Assignments>> C :: 175.115 CA :: 55.715 CB :: 32.109 CG :: 26.609 CD :: 43.302 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.584 HA :: 4.532 HB2 :: 1.685 HB3 :: 1.986 HG2 :: 1.460 HG3 :: 1.498 HD2 :: 2.965 HD3 :: 3.004 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.599 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.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.18 D 0.18 F 0.18 C 0.17 N 0.1 L 0.09 I 0.02 K 0.02 E 0.01 C Shift Assignments>> CA :: 55.857 CB :: 39.727 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 9.372 HA :: 4.328 HB2 :: 2.790 HB3 :: 2.905 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 :: 122.455 Ave N Shift Values>> N :: 120.73(4.2) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.35 D 0.34 C 0.28 E 0.01 HN Overlap>> 1.G64 1.G64 C Shift Assignments>> C :: 174.526 CA :: 54.282 CB :: 38.576 CG :: 178.170 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.048 HA :: 4.517 HB2 :: 2.876 HB3 :: 3.194 HD21 :: 6.741 HD22 :: 7.397 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 115.325 ND2 :: 110.667 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.56 T 0.43 C Shift Assignments>> C :: 171.594 CA :: 57.933 CB :: 67.007 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.188 HA :: 5.399 HB2 :: 3.428 HB3 :: 3.879 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.665 Ave N Shift Values>> N :: 116.3(3.95) 1.L24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.29 C 0.15 A 0.01 C Shift Assignments>> C :: 174.364 CA :: 53.643 CB :: 45.351 CG :: 26.410 CD1 :: 23.776 CD2 :: 24.924 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 :: 8.988 HA :: 4.754 HB2 :: 1.133 HB3 :: 1.163 HG :: 0.757 HD11 :: 0.077 HD12 :: 0.077 HD13 :: 0.077 HD21 :: -0.053 HD22 :: -0.053 HD23 :: -0.053 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 :: 123.364 Ave N Shift Values>> N :: 121.98(4.07) 1.Y25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 174.865 CA :: 57.456 CB :: 40.560 CD1 :: 133.120 CE1 :: 118.246 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 :: 8.833 HA :: 5.036 HB2 :: 2.818 HB3 :: 2.875 HD1 :: 6.980 HD2 :: 6.980 HE1 :: 6.740 HE2 :: 6.740 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 :: 122.436 Ave N Shift Values>> N :: 120.79(4.69) 1.F26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.3 C 0.23 C Shift Assignments>> C :: 174.931 CA :: 55.923 CB :: 41.819 CD1 :: 131.525 CE1 :: 130.515 CZ :: 128.806 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 :: 9.117 HA :: 5.102 HB2 :: 2.689 HB3 :: 2.987 HD1 :: 6.847 HD2 :: 6.847 HE1 :: 6.681 HE2 :: 6.681 HZ :: 5.994 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 118.578 Ave N Shift Values>> N :: 120.69(4.18) 1.Q27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.38 C 0.37 E 0.23 C Shift Assignments>> C :: 174.219 CA :: 55.027 CB :: 30.302 CG :: 34.658 CD :: 179.803 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.205 HA :: 5.069 HB2 :: 2.205 HB3 :: 2.232 HG2 :: 2.222 HG3 :: 2.283 HE21 :: 6.669 HE22 :: 7.601 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.508 NE2 :: 111.362 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 C 0.27 L 0.13 R 0.08 C Shift Assignments>> C :: 174.143 CA :: 54.970 CB :: 45.267 CG :: 28.377 CD1 :: 25.953 CD2 :: 26.488 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 :: 9.592 HA :: 5.152 HB2 :: 1.553 HB3 :: 1.853 HG :: 1.528 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 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 :: 131.094 Ave N Shift Values>> N :: 121.98(4.07) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.46 Y 0.28 C 0.23 G 0.01 C Shift Assignments>> C :: 175.197 CA :: 54.940 CB :: 42.028 CD1 :: 131.342 CE1 :: 130.584 CZ :: 129.051 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 :: 9.338 HA :: 5.210 HB2 :: 2.958 HB3 :: 2.958 HD1 :: 6.518 HD2 :: 6.518 HE1 :: 6.982 HE2 :: 6.982 HZ :: 7.033 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.231 Ave N Shift Values>> N :: 120.69(4.18) 1.N30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 C 0.32 M 0.05 E 0.04 Y 0.03 D 0.02 F 0.01 K 0.01 C Shift Assignments>> C :: 173.280 CA :: 51.607 CB :: 36.516 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 :: 8.092 HA :: 4.673 HB2 :: 2.084 HB3 :: 3.446 HD21 :: 6.425 HD22 :: 8.002 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 :: 122.980 ND2 :: 110.909 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.63 D 0.22 C 0.14 C Shift Assignments>> C :: 175.999 CA :: 51.151 CB :: 38.758 CG :: 177.298 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 :: 7.509 HA :: 5.007 HB2 :: 2.028 HB3 :: 3.243 HD21 :: 6.912 HD22 :: 7.495 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 126.735 ND2 :: 110.623 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T32 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>> CA :: 61.620 CB :: 70.347 CG2 :: 21.758 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 :: 7.271 HA :: 4.329 HB :: 4.501 HG21 :: 1.096 HG22 :: 1.096 HG23 :: 1.096 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 :: 107.514 Ave N Shift Values>> N :: 115.7(5.05) 1.N33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.36 C 0.17 C Shift Assignments>> C :: 174.632 CA :: 52.934 CB :: 39.059 CG :: 177.789 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>> HA :: 4.771 HB2 :: 2.741 HB3 :: 3.025 HD21 :: 6.862 HD22 :: 7.591 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>> ND2 :: 111.747 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.91 T 0.08 C Shift Assignments>> C :: 172.309 CA :: 57.084 CB :: 66.216 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.309 HA :: 4.773 HB2 :: 3.707 HB3 :: 3.798 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 :: 114.141 Ave N Shift Values>> N :: 116.3(3.95) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 176.359 CA :: 63.058 CB :: 32.512 CG1 :: 21.414 CG2 :: 21.240 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 :: 8.411 HA :: 3.759 HB :: 1.872 HG11 :: 0.798 HG12 :: 0.798 HG13 :: 0.798 HG21 :: 0.932 HG22 :: 0.932 HG23 :: 0.932 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 :: 121.891 Ave N Shift Values>> N :: 121.02(4.96) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.24 R 0.13 G 0.05 C Shift Assignments>> C :: 175.069 CA :: 54.237 CB :: 42.918 CG :: 27.501 CD1 :: 25.554 CD2 :: 25.076 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 :: 8.616 HA :: 4.515 HB2 :: 1.383 HB3 :: 1.731 HG :: 1.808 HD11 :: 0.803 HD12 :: 0.803 HD13 :: 0.803 HD21 :: 0.852 HD22 :: 0.852 HD23 :: 0.852 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 :: 129.394 Ave N Shift Values>> N :: 121.98(4.07) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.18 C 0.03 L 0.02 C Shift Assignments>> C :: 176.920 CA :: 52.294 CB :: 19.970 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.117 HA :: 4.134 HB1 :: 1.441 HB2 :: 1.441 HB3 :: 1.441 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.806 Ave N Shift Values>> N :: 123.23(3.7) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 L 0.2 R 0.16 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.280 CA :: 44.487 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.255 HA2 :: 3.351 HA3 :: 3.951 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.050 Ave N Shift Values>> N :: 109.91(4.29) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 N 0.2 E 0.13 D 0.1 Q 0.02 C Shift Assignments>> C :: 175.158 CA :: 54.770 CB :: 36.752 CG :: 178.635 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 :: 8.644 HA :: 4.097 HB2 :: 2.842 HB3 :: 2.923 HD21 :: 6.841 HD22 :: 7.212 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 :: 111.314 ND2 :: 113.677 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 C 0.18 E 0.13 R 0.1 K 0.08 H 0.08 Q 0.07 V 0.06 P 0.02 M 0.02 C Shift Assignments>> C :: 174.423 CA :: 60.352 CB :: 29.537 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.763 HA :: 4.723 HB2 :: 2.592 HB3 :: 3.328 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 :: 114.901 Ave N Shift Values>> N :: 119.95(4.79) 1.K41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 K 0.32 R 0.22 M 0.01 G 0.01 C Shift Assignments>> C :: 173.385 CA :: 54.831 CB :: 35.892 CG :: 24.974 CD :: 29.457 CE :: 42.138 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 :: 8.998 HA :: 4.722 HB2 :: 1.417 HB3 :: 1.448 HG2 :: 1.281 HG3 :: 1.318 HD2 :: 1.401 HD3 :: 1.498 HE2 :: 2.849 HE3 :: 2.879 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 :: 118.613 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.25 R 0.14 G 0.03 A 0.01 C Shift Assignments>> C :: 174.664 CA :: 54.278 CB :: 42.662 CG :: 27.642 CD1 :: 24.097 CD2 :: 25.423 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 :: 8.795 HA :: 4.669 HB2 :: 1.172 HB3 :: 1.426 HG :: 1.048 HD11 :: -0.021 HD12 :: -0.021 HD13 :: -0.021 HD21 :: 0.228 HD22 :: 0.228 HD23 :: 0.228 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 :: 125.679 Ave N Shift Values>> N :: 121.98(4.07) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 C 0.35 R 0.11 M 0.02 C Shift Assignments>> C :: 175.173 CA :: 54.140 CB :: 34.052 CG :: 24.889 CD :: 29.165 CE :: 41.678 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 :: 9.412 HA :: 5.229 HB2 :: 1.428 HB3 :: 1.692 HG2 :: 1.029 HG3 :: 1.229 HD2 :: 1.427 HD3 :: 1.526 HE2 :: 2.540 HE3 :: 2.665 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 :: 124.633 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.42 Y 0.33 C 0.22 G 0.01 C Shift Assignments>> C :: 173.496 CA :: 55.300 CB :: 42.063 CD1 :: 131.769 CE1 :: 130.930 CZ :: 129.582 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 :: 8.942 HA :: 5.638 HB2 :: 2.602 HB3 :: 2.733 HD1 :: 6.825 HD2 :: 6.825 HE1 :: 6.775 HE2 :: 6.775 HZ :: 6.626 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 124.373 Ave N Shift Values>> N :: 120.69(4.18) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 173.272 CA :: 61.427 CB :: 70.799 CG2 :: 20.822 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 :: 8.713 HA :: 4.974 HB :: 3.853 HG21 :: 1.207 HG22 :: 1.207 HG23 :: 1.207 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 :: 124.329 Ave N Shift Values>> N :: 115.7(5.05) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.18 N 0.13 C 0.11 K 0.1 F 0.07 Y 0.05 R 0.02 C Shift Assignments>> C :: 174.297 CA :: 53.651 CB :: 41.123 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 :: 7.997 HA :: 4.633 HB2 :: 2.763 HB3 :: 3.056 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.035 Ave N Shift Values>> N :: 120.73(4.2) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 M 0.12 C 0.02 HN Overlap>> 1.L13 1.L13 C Shift Assignments>> C :: 177.626 CA :: 51.352 CB :: 19.504 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.938 HA :: 4.501 HB1 :: 1.271 HB2 :: 1.271 HB3 :: 1.271 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.581 Ave N Shift Values>> N :: 123.23(3.7) 1.G48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.15 R 0.1 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.292 CA :: 44.811 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.257 HA2 :: 3.907 HA3 :: 4.047 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.540 Ave N Shift Values>> N :: 109.91(4.29) 1.D49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.17 K 0.16 D 0.16 F 0.14 C 0.12 Y 0.12 R 0.03 N 0.03 I 0.01 C Shift Assignments>> C :: 176.896 CA :: 56.148 CB :: 41.066 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 :: 8.303 HA :: 4.351 HB2 :: 2.626 HB3 :: 2.626 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.126 Ave N Shift Values>> N :: 120.73(4.2) 1.K50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.3 R 0.18 M 0.05 G 0.01 C Shift Assignments>> CA :: 53.680 CB :: 32.105 CG :: 24.427 CD :: 29.381 CE :: 42.174 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 :: 8.300 HA :: 4.574 HB2 :: 1.636 HB3 :: 1.752 HG2 :: 1.308 HG3 :: 1.365 HD2 :: 1.638 HD3 :: 1.682 HE2 :: 2.980 HE3 :: 2.985 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 :: 119.971 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 177.642 CA :: 63.390 CB :: 33.073 CG :: 26.982 CD :: 50.388 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 :: 4.560 HB2 :: 1.711 HB3 :: 2.156 HG2 :: 1.846 HG3 :: 1.896 HD2 :: 3.479 HD3 :: 3.536 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.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.276 CA :: 61.460 CB :: 71.244 CG2 :: 21.658 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 :: 8.870 HA :: 4.492 HB :: 4.103 HG21 :: 1.198 HG22 :: 1.198 HG23 :: 1.198 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.376 Ave N Shift Values>> N :: 115.7(5.05) 1.T53 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 :: 173.666 CA :: 61.969 CB :: 70.648 CG2 :: 22.068 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 :: 8.584 HA :: 4.934 HB :: 3.652 HG21 :: 0.943 HG22 :: 0.943 HG23 :: 0.943 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 :: 121.617 Ave N Shift Values>> N :: 115.7(5.05) 1.Q54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.5 C 0.43 E 0.05 C Shift Assignments>> C :: 174.169 CA :: 53.979 CB :: 29.613 CG :: 33.477 CD :: 178.750 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 :: 8.892 HA :: 4.504 HB2 :: 0.917(S) HB3 :: 1.177 HG2 :: 1.799 HG3 :: 2.001 HE21 :: 6.669 HE22 :: 6.819 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 126.981 NE2 :: 109.932 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 175.156 CA :: 60.703 CB :: 40.287 CG1 :: 27.987 CG2 :: 18.072 CD1 :: 13.381 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 :: 8.307 HA :: 4.678 HB :: 1.651 HG12 :: 0.761 HG13 :: 1.404 HG21 :: 0.677 HG22 :: 0.677 HG23 :: 0.677 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 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 :: 120.662 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 0.61 C 0.38 C Shift Assignments>> C :: 175.036 CA :: 60.298 CB :: 40.932 CG1 :: 28.608 CG2 :: 17.399 CD1 :: 15.017 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 :: 9.460 HA :: 4.254 HB :: 1.643 HG12 :: 1.140 HG13 :: 1.462 HG21 :: 0.643 HG22 :: 0.643 HG23 :: 0.643 HD11 :: 0.605 HD12 :: 0.605 HD13 :: 0.605 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 :: 128.496 Ave N Shift Values>> N :: 121.6(4.72) 1.D57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.18 K 0.12 C 0.11 F 0.09 N 0.09 Y 0.08 R 0.02 C Shift Assignments>> C :: 176.639 CA :: 54.601 CB :: 41.050 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 :: 8.820 HA :: 4.425 HB2 :: 2.597 HB3 :: 2.836 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 127.696 Ave N Shift Values>> N :: 120.73(4.2) 1.M58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 M 0.46 C Shift Assignments>> C :: 177.660 CA :: 58.109 CB :: 33.052 CG :: 31.334 CE :: 15.149 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.066 HA :: 4.031 HB2 :: 1.885 HB3 :: 2.321 HG2 :: 1.416 HG3 :: 1.443 HE1 :: 1.758 HE2 :: 1.758 HE3 :: 1.758 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 125.448 Ave N Shift Values>> N :: 120.1(3.88) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.14 C 0.09 R 0.08 F 0.01 C Shift Assignments>> CA :: 44.929 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.645 HA2 :: 3.983 HA3 :: 4.539 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.579 Ave N Shift Values>> N :: 109.91(4.29) 1.P60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 176.495 CA :: 64.089 CB :: 32.456 CG :: 26.104 CD :: 49.991 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 :: 4.323 HB2 :: 1.805 HB3 :: 2.102 HG2 :: 1.186 HG3 :: 1.937 HD2 :: 3.536 HD3 :: 3.593 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.H61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.52 C 0.47 C Shift Assignments>> C :: 175.577 CA :: 56.014 CB :: 31.298 CD2 :: 119.655 CE1 :: 138.679 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 :: 7.791 HA :: 4.686 HB2 :: 3.029 HB3 :: 3.218 HD2 :: 7.122 HE1 :: 7.911 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 :: 119.331 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.36 M 0.1 K 0.07 I 0.04 Q 0.03 C Shift Assignments>> C :: 176.478 CA :: 56.210 CB :: 30.302 CG :: 36.445 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 :: 8.660 HA :: 4.318 HB2 :: 1.811 HB3 :: 1.900 HG2 :: 2.238 HG3 :: 2.266 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 :: 122.299 Ave N Shift Values>> N :: 120.68(3.68) 1.I63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.72 C 0.27 C Shift Assignments>> C :: 176.182 CA :: 61.524 CB :: 38.823 CG1 :: 27.602 CG2 :: 17.970 CD1 :: 14.343 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 :: 8.711 HA :: 4.200 HB :: 1.765 HG12 :: 0.914 HG13 :: 1.692 HG21 :: 0.891 HG22 :: 0.891 HG23 :: 0.891 HD11 :: 0.922 HD12 :: 0.922 HD13 :: 0.922 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 122.550 Ave N Shift Values>> N :: 121.6(4.72) 1.G64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.12 C 0.08 R 0.06 F 0.01 HN Overlap>> 1.N22 1.N22 C Shift Assignments>> C :: 173.670 CA :: 45.027 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.083 HA2 :: 3.744 HA3 :: 4.058 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.219 Ave N Shift Values>> N :: 109.91(4.29) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.89 C 0.1 HN Overlap>> 1.E10 1.E10 C Shift Assignments>> C :: 177.308 CA :: 64.348 CB :: 37.997 CG1 :: 28.486 CG2 :: 17.308 CD1 :: 13.492 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 :: 8.395 HA :: 3.399 HB :: 1.565 HG12 :: 0.717 HG13 :: 1.376 HG21 :: 0.936 HG22 :: 0.936 HG23 :: 0.936 HD11 :: 0.716 HD12 :: 0.716 HD13 :: 0.716 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 :: 121.250 Ave N Shift Values>> N :: 121.6(4.72) 1.K66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.39 K 0.15 G 0.02 C Shift Assignments>> C :: 173.820 CA :: 58.455 CB :: 29.280 CG :: 26.319 CD :: 29.629 CE :: 42.436 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 :: 8.827 HA :: 3.226 HB2 :: 2.090 HB3 :: 2.229 HG2 :: 1.407 HG3 :: 1.541 HD2 :: 1.725 HD3 :: 1.812 HE2 :: 3.031 HE3 :: 3.056 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.792 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 E 0.35 M 0.13 I 0.04 K 0.01 C Shift Assignments>> C :: 174.621 CA :: 56.236 CB :: 31.431 CG :: 37.203 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 :: 7.253 HA :: 4.505 HB2 :: 1.873 HB3 :: 2.025 HG2 :: 2.174 HG3 :: 2.288 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 :: 116.874 Ave N Shift Values>> N :: 120.68(3.68) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.54 Y 0.43 G 0.01 C Shift Assignments>> C :: 176.489 CA :: 56.274 CB :: 41.935 CD1 :: 130.584 CE1 :: 117.991 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 :: 8.325 HA :: 5.842 HB2 :: 2.874 HB3 :: 2.874 HD1 :: 7.018 HD2 :: 7.018 HE1 :: 6.515 HE2 :: 6.515 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 120.116 Ave N Shift Values>> N :: 120.79(4.69) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 R 0.23 K 0.16 G 0.03 C Shift Assignments>> C :: 173.624 CA :: 54.740 CB :: 37.405 CG :: 24.848 CD :: 28.361 CE :: 42.418 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 :: 9.022 HA :: 4.497 HB2 :: 1.593 HB3 :: 1.634 HG2 :: 1.242 HG3 :: 1.369 HD2 :: 1.775 HD3 :: 1.838 HE2 :: 2.935 HE3 :: 2.969 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 :: 122.418 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 E 0.12 M 0.12 C Shift Assignments>> C :: 174.705 CA :: 54.763 CB :: 33.132 CG :: 37.861 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 :: 8.216 HA :: 5.353 HB2 :: 1.905 HB3 :: 2.029 HG2 :: 2.182 HG3 :: 2.208 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 :: 122.560 Ave N Shift Values>> N :: 120.68(3.68) 1.Y71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.41 G 0.07 C Shift Assignments>> C :: 173.904 CA :: 56.938 CB :: 42.861 CD1 :: 133.217 CE1 :: 118.060 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 :: 9.071 HA :: 4.918 HB2 :: 3.184 HB3 :: 3.184 HD1 :: 7.006 HD2 :: 7.006 HE1 :: 6.692 HE2 :: 6.692 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 :: 122.200 Ave N Shift Values>> N :: 120.79(4.69) 1.R72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 G 0.2 R 0.18 K 0.1 C Shift Assignments>> C :: 174.308 CA :: 54.732 CB :: 34.135 CG :: 27.520 CD :: 43.854 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 :: 8.904 HA :: 5.165 HB2 :: 1.537 HB3 :: 1.692 HG2 :: 0.871 HG3 :: 1.138 HD2 :: 2.983 HD3 :: 3.009 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 :: 121.922 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.Y73 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 :: 172.758 CA :: 57.760 CB :: 41.642 CD1 :: 132.257 CE1 :: 118.800 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 :: 9.387 HA :: 4.818 HB2 :: 2.868 HB3 :: 2.954 HD1 :: 6.960 HD2 :: 6.960 HE1 :: 6.960 HE2 :: 6.960 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 :: 126.137 Ave N Shift Values>> N :: 120.79(4.69) 1.F74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.33 C 0.29 G 0.02 C Shift Assignments>> CA :: 53.662 CB :: 42.044 CD1 :: 132.448 CE1 :: 131.174 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 :: 7.737 HA :: 4.974 HB2 :: 2.768 HB3 :: 3.081 HD1 :: 7.144 HD2 :: 7.144 HE1 :: 7.336 HE2 :: 7.336 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 :: 127.867 Ave N Shift Values>> N :: 120.69(4.18) 1.P75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.87 P 0.1 G 0.01 C Shift Assignments>> C :: 175.400 CA :: 62.229 CB :: 33.785 CG :: 24.078 CD :: 49.299 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 :: 4.525 HB2 :: 1.423 HB3 :: 1.775 HG2 :: 1.705 HG3 :: 1.884 HD2 :: 3.177 HD3 :: 3.481 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.Y76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.35 HN Overlap>> 1.L80 1.L80 C Shift Assignments>> C :: 173.975 CA :: 60.547 CB :: 41.672 CD1 :: 132.875 CE1 :: 118.884 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 :: 8.553 HA :: 4.260 HB2 :: 2.847 HB3 :: 2.898 HD1 :: 7.104 HD2 :: 7.104 HE1 :: 6.794 HE2 :: 6.794 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.055 Ave N Shift Values>> N :: 120.79(4.69) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.16 C 0.03 L 0.02 C Shift Assignments>> C :: 176.375 CA :: 52.096 CB :: 20.136 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.330 HA :: 4.431 HB1 :: 1.247 HB2 :: 1.247 HB3 :: 1.247 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.968 Ave N Shift Values>> N :: 123.23(3.7) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.22 G 0.11 R 0.07 A 0.04 C Shift Assignments>> C :: 175.104 CA :: 53.973 CB :: 43.403 CG :: 26.962 CD1 :: 23.172 CD2 :: 25.214 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 :: 6.107 HA :: 4.346 HB2 :: 1.349 HB3 :: 1.545 HG :: 1.274 HD11 :: 0.754 HD12 :: 0.754 HD13 :: 0.754 HD21 :: 0.787 HD22 :: 0.787 HD23 :: 0.787 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 :: 118.467 Ave N Shift Values>> N :: 121.98(4.07) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.21 K 0.13 C 0.1 N 0.08 F 0.07 Y 0.05 R 0.05 HN Overlap>> 1.S84 1.S84 C Shift Assignments>> C :: 177.267 CA :: 54.037 CB :: 41.471 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 :: 7.872 HA :: 4.621 HB2 :: 2.464 HB3 :: 2.643 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 :: 117.002 Ave N Shift Values>> N :: 120.73(4.2) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.28 R 0.04 A 0.01 HN Overlap>> 1.R11 1.R114 1.Y76 1.R11 1.R114 1.Y76 C Shift Assignments>> C :: 176.633 CA :: 55.149 CB :: 41.769 CG :: 26.745 CD1 :: 23.651 CD2 :: 24.988 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 :: 8.481 HA :: 4.339 HB2 :: 1.131 HB3 :: 1.349 HG :: 1.477 HD11 :: 0.555 HD12 :: 0.555 HD13 :: 0.555 HD21 :: 0.570 HD22 :: 0.570 HD23 :: 0.570 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 :: 122.980 Ave N Shift Values>> N :: 121.98(4.07) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 M 0.29 E 0.24 Q 0.03 K 0.01 C Shift Assignments>> C :: 176.757 CA :: 55.002 CB :: 32.341 CG :: 35.985 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 :: 8.585 HA :: 4.603 HB2 :: 1.894 HB3 :: 2.048 HG2 :: 2.308 HG3 :: 2.355 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 :: 122.449 Ave N Shift Values>> N :: 120.68(3.68) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.57 M 0.38 C 0.02 I 0.01 C Shift Assignments>> C :: 177.629 CA :: 53.919 CB :: 18.309 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.892 HA :: 4.134 HB1 :: 1.378 HB2 :: 1.378 HB3 :: 1.378 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.435 Ave N Shift Values>> N :: 123.23(3.7) 1.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> CA :: 44.701 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.050 HA2 :: 3.578 HA3 :: 4.549 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.956 Ave N Shift Values>> N :: 109.91(4.29) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.D79 1.D79 C Shift Assignments>> CA :: 60.786 CB :: 64.076 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.869 HA :: 4.529 HB2 :: 3.855 HB3 :: 4.054 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 :: 116.996 Ave N Shift Values>> N :: 116.3(3.95) 1.T85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 HN Overlap>> 1.Q91 1.Q91 C Shift Assignments>> C :: 173.290 CA :: 62.174 CB :: 71.556 CG2 :: 21.775 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 :: 8.873 HA :: 4.947 HB :: 4.056 HG21 :: 1.226 HG22 :: 1.226 HG23 :: 1.226 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 :: 116.673 Ave N Shift Values>> N :: 115.7(5.05) 1.I86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.46 C Shift Assignments>> C :: 174.169 CA :: 59.787 CB :: 40.587 CG1 :: 28.963 CG2 :: 18.937 CD1 :: 14.823 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 :: 8.687 HA :: 5.113 HB :: 1.562 HG12 :: 1.261 HG13 :: 1.604 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 HD11 :: 0.954 HD12 :: 0.954 HD13 :: 0.954 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.894 Ave N Shift Values>> N :: 121.6(4.72) 1.E87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.96 M 0.02 E 0.01 C Shift Assignments>> C :: 174.689 CA :: 54.225 CB :: 35.410 CG :: 37.537 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 :: 9.045 HA :: 5.150 HB2 :: 1.933 HB3 :: 1.999 HG2 :: 2.121 HG3 :: 2.264 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.975 Ave N Shift Values>> N :: 120.68(3.68) 1.I88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 A 0.01 C Shift Assignments>> C :: 174.974 CA :: 58.725 CB :: 38.865 CG1 :: 27.588 CG2 :: 17.087 CD1 :: 11.687 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 :: 8.881 HA :: 5.142 HB :: 2.039 HG21 :: 0.844 HG22 :: 0.844 HG23 :: 0.844 HD11 :: 0.568 HD12 :: 0.568 HD13 :: 0.568 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 :: 120.252 Ave N Shift Values>> N :: 121.6(4.72) 1.E89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 M 0.08 E 0.02 C Shift Assignments>> C :: 176.126 CA :: 53.302 CB :: 34.773 CG :: 36.827 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 :: 9.305 HA :: 5.299 HB2 :: 1.676 HB3 :: 1.865 HG2 :: 1.857 HG3 :: 2.197 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 127.946 Ave N Shift Values>> N :: 120.68(3.68) 1.N90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.55 D 0.17 C 0.15 Y 0.04 F 0.03 L 0.02 C Shift Assignments>> C :: 176.683 CA :: 51.461 CB :: 38.870 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 :: 8.822 HA :: 5.323 HB2 :: 2.835 HB3 :: 3.653 HD21 :: 7.805 HD22 :: 8.038 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 :: 120.389 ND2 :: 113.129 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q91 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.61 Q 0.34 E 0.03 HN Overlap>> 1.T85 1.T85 C Shift Assignments>> C :: 175.376 CA :: 57.713 CB :: 28.288 CG :: 31.932 CD :: 180.007 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 :: 8.867 HA :: 4.114 HB2 :: 1.817 HB3 :: 1.991 HG2 :: 1.124(S) HG3 :: 1.508 HE21 :: 6.819 HE22 :: 7.136 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.666 NE2 :: 111.728 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Y92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.53 C 0.46 C Shift Assignments>> C :: 176.133 CA :: 56.700 CB :: 37.939 CD1 :: 132.812 CE1 :: 118.459 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 :: 7.320 HA :: 4.680 HB2 :: 2.746 HB3 :: 3.450 HD1 :: 7.073 HD2 :: 7.073 HE1 :: 6.826 HE2 :: 6.826 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 :: 118.330 Ave N Shift Values>> N :: 120.79(4.69) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 173.386 CA :: 45.234 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.034 HA2 :: 3.733 HA3 :: 4.199 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.353 Ave N Shift Values>> N :: 109.91(4.29) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.3 M 0.17 Q 0.08 K 0.08 I 0.01 C Shift Assignments>> C :: 176.199 CA :: 54.504 CB :: 30.522 CG :: 35.818 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 :: 7.717 HA :: 4.392 HB2 :: 1.829 HB3 :: 1.920 HG2 :: 2.010 HG3 :: 2.163 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 :: 120.185 Ave N Shift Values>> N :: 120.68(3.68) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 C Shift Assignments>> C :: 176.297 CA :: 64.243 CB :: 31.088 CG1 :: 21.744 CG2 :: 22.546 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 :: 8.849 HA :: 4.197 HB :: 2.034 HG11 :: 0.939 HG12 :: 0.939 HG13 :: 0.939 HG21 :: 1.020 HG22 :: 1.020 HG23 :: 1.020 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 :: 126.429 Ave N Shift Values>> N :: 121.02(4.96) 1.I96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.73 C 0.26 C Shift Assignments>> C :: 175.066 CA :: 61.753 CB :: 39.645 CG1 :: 26.724 CG2 :: 18.980 CD1 :: 14.415 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 :: 8.866 HA :: 4.288 HB :: 1.676 HG12 :: 1.048 HG13 :: 1.528 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 HD11 :: 1.106 HD12 :: 1.106 HD13 :: 1.106 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 :: 121.159 Ave N Shift Values>> N :: 121.6(4.72) 1.F97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 C 0.23 F 0.05 Y 0.03 C Shift Assignments>> C :: 173.439 CA :: 58.377 CB :: 46.089 CD1 :: 131.133 CE1 :: 131.298 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 :: 7.549 HA :: 4.746 HB2 :: 2.453 HB3 :: 2.915 HD1 :: 6.739 HD2 :: 6.739 HE1 :: 7.303 HE2 :: 7.303 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 :: 116.335 Ave N Shift Values>> N :: 120.69(4.18) 1.L98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 C 0.35 L 0.23 R 0.01 C Shift Assignments>> C :: 175.889 CA :: 55.460 CB :: 46.099 CG :: 27.451 CD1 :: 25.676 CD2 :: 25.847 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 :: 9.341 HA :: 5.533 HB2 :: 1.793 HB3 :: 1.831 HG :: 1.618 HD11 :: 0.917 HD12 :: 0.917 HD13 :: 0.917 HD21 :: 0.961 HD22 :: 0.961 HD23 :: 0.961 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 :: 120.461 Ave N Shift Values>> N :: 121.98(4.07) 1.G99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.01 C Shift Assignments>> C :: 170.426 CA :: 45.661 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.159 HA2 :: 3.869 HA3 :: 4.544 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.715 Ave N Shift Values>> N :: 109.91(4.29) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.3 R 0.21 G 0.02 M 0.02 C Shift Assignments>> CA :: 54.495 CB :: 35.973 CG :: 24.608 CD :: 29.348 CE :: 42.418 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 :: 8.626 HA :: 5.272 HB2 :: 1.669 HB3 :: 1.700 HG2 :: 1.394 HG3 :: 1.419 HD2 :: 1.638 HD3 :: 1.684 HE2 :: 2.953 HE3 :: 2.995 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 :: 119.686 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.59 C 0.4 C Shift Assignments>> C :: 175.553 CA :: 57.961 CB :: 39.973 CD1 :: 132.507 CE1 :: 118.457 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 :: 8.982 HA :: 4.531 HB2 :: 2.826 HB3 :: 3.057 HD1 :: 6.994 HD2 :: 6.994 HE1 :: 6.601 HE2 :: 6.601 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 :: 124.633 Ave N Shift Values>> N :: 120.79(4.69) 1.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.09 L 0.06 R 0.01 C Shift Assignments>> CA :: 45.922 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.266 HA2 :: 3.618 HA3 :: 4.244 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 121.663 Ave N Shift Values>> N :: 109.91(4.29) 1.S103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 173.706 CA :: 58.461 CB :: 63.802 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.328 HB2 :: 3.824 HB3 :: 3.989 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.S104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 55.091 CB :: 64.803 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.772 HA :: 5.124 HB2 :: 3.912 HB3 :: 4.036 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 :: 116.913 Ave N Shift Values>> N :: 116.3(3.95) 1.P105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 175.209 CA :: 64.747 CB :: 32.352 CG :: 27.435 CD :: 51.003 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 :: 4.601 HB2 :: 2.115 HB3 :: 2.530 HG2 :: 2.083 HG3 :: 2.126 HD2 :: 3.906 HD3 :: 3.932 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.M106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 C 0.35 A 0.19 C Shift Assignments>> C :: 175.020 CA :: 54.945 CB :: 33.749 CG :: 32.139 CE :: 17.107 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.532 HA :: 5.083 HB2 :: 1.923 HB3 :: 1.953 HG2 :: 2.328 HG3 :: 2.404 HE1 :: 1.983 HE2 :: 1.983 HE3 :: 1.983 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 115.682 Ave N Shift Values>> N :: 120.1(3.88) 1.I107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 174.639 CA :: 60.558 CB :: 41.211 CG1 :: 27.831 CG2 :: 18.642 CD1 :: 15.338 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 :: 9.371 HA :: 4.343 HB :: 1.802 HG12 :: 1.158 HG13 :: 1.676 HG21 :: 0.821 HG22 :: 0.821 HG23 :: 0.821 HD11 :: 0.838 HD12 :: 0.838 HD13 :: 0.838 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 126.377 Ave N Shift Values>> N :: 121.6(4.72) 1.N108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.52 D 0.31 C 0.16 C Shift Assignments>> C :: 174.412 CA :: 52.783 CB :: 39.984 CG :: 176.226 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 :: 8.766 HA :: 5.168 HB2 :: 2.468 HB3 :: 2.799 HD21 :: 6.965 HD22 :: 7.524 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 124.709 ND2 :: 113.162 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.33 L 0.3 C 0.28 G 0.04 K 0.03 C Shift Assignments>> C :: 175.812 CA :: 55.122 CB :: 42.900 CG :: 28.581 CD1 :: 24.811 CD2 :: 26.189 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 :: 9.261 HA :: 4.731 HB2 :: 1.434 HB3 :: 1.800 HG :: 1.549 HD11 :: 0.614 HD12 :: 0.614 HD13 :: 0.614 HD21 :: 0.699 HD22 :: 0.699 HD23 :: 0.699 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.128 Ave N Shift Values>> N :: 121.98(4.07) 1.R110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.34 K 0.15 G 0.11 C Shift Assignments>> CA :: 53.504 CB :: 32.343 CG :: 27.600 CD :: 43.385 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 :: 8.514 HA :: 5.320 HB2 :: 1.763 HB3 :: 2.053 HG2 :: 1.741 HG3 :: 1.789 HD2 :: 3.280 HD3 :: 3.311 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 :: 119.482 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.P111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.57 C 0.41 C Shift Assignments>> CA :: 61.428 CB :: 30.761 CG :: 28.003 CD :: 50.920 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.804 HB2 :: 1.722 HB3 :: 2.242 HG2 :: 1.828 HG3 :: 2.105 HD2 :: 3.702 HD3 :: 4.044 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.P112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.541 CA :: 63.060 CB :: 31.929 CG :: 27.445 CD :: 50.252 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 :: 4.340 HB2 :: 1.898 HB3 :: 2.200 HG2 :: 1.854 HG3 :: 1.997 HD2 :: 3.164 HD3 :: 3.447 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.591 CA :: 58.360 CB :: 63.738 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.367 HA :: 4.397 HB2 :: 3.850 HB3 :: 3.850 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.793 Ave N Shift Values>> N :: 116.3(3.95) 1.R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.35 K 0.11 G 0.06 HN Overlap>> 1.L80 1.R11 1.L80 1.R11 C Shift Assignments>> C :: 176.064 CA :: 55.874 CB :: 30.727 CG :: 27.036 CD :: 43.240 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 :: 8.426 HA :: 4.393 HB2 :: 1.749 HB3 :: 1.891 HG2 :: 1.593 HG3 :: 1.655 HD2 :: 3.193 HD3 :: 3.193 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.034 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.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.27 K 0.03 G 0.02 A 0.02 C Shift Assignments>> C :: 177.278 CA :: 55.258 CB :: 42.347 CD1 :: 23.400 CD2 :: 24.960 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 :: 8.263 HA :: 4.369 HB2 :: 1.608 HB3 :: 1.636 HD11 :: 0.872 HD12 :: 0.872 HD13 :: 0.872 HD21 :: 0.930 HD22 :: 0.930 HD23 :: 0.930 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 :: 123.011 Ave N Shift Values>> N :: 121.98(4.07) 1.S116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.904 CA :: 58.107 CB :: 63.896 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.232 HA :: 4.438 HB2 :: 3.861 HB3 :: 3.861 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 :: 116.166 Ave N Shift Values>> N :: 116.3(3.95) 1.A117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.19 C 0.02 C Shift Assignments>> C :: 176.605 CA :: 52.442 CB :: 19.434 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.345 HA :: 4.382 HB1 :: 1.397 HB2 :: 1.397 HB3 :: 1.397 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.421 Ave N Shift Values>> N :: 123.23(3.7) 1.E118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.37 M 0.11 I 0.08 K 0.02 Q 0.01 C Shift Assignments>> CA :: 58.012 CB :: 31.206 CG :: 36.720 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 :: 7.926 HA :: 4.105 HB2 :: 1.877 HB3 :: 2.044 HG2 :: 2.198 HG3 :: 2.198 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 :: 124.872 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 116 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 114 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 4 Shift Relative Order (SRO) Results: #Consistent: 118 #Suspicious: 0 C Shift Results: #Consistent: 491 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 806 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 118 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.Q54 HB2 = 0.917(S), Expected = 2.05, Std = 0.2800, ChiSquare = 5.2005e-05 1.Q91 HG2 = 1.124(S), Expected = 2.32, Std = 0.2900, ChiSquare = 3.7213e-05