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.E2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.36 C 0.35 M 0.14 K 0.05 Q 0.04 I 0.03 C Shift Assignments>> C :: 176.472 CA :: 56.470 CB :: 30.730 CG :: 36.273 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>> HA :: 4.366 HB2 :: 2.063 HB3 :: 1.897 HG2 :: 2.240 HG3 :: 2.240 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) 1.L3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.29 R 0.07 G 0.02 HN Overlap>> 2.H70 2.H70 C Shift Assignments>> C :: 177.005 CA :: 55.493 CB :: 42.430 CG :: 27.011 CD1 :: 24.850 CD2 :: 23.800 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 :: 8.446 HA :: 4.347 HB2 :: 1.644 HB3 :: 1.605 HG :: 1.638 HD11 :: 0.936 HD12 :: 0.936 HD13 :: 0.936 HD21 :: 0.883 HD22 :: 0.883 HD23 :: 0.883 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 :: 123.280 Ave N Shift Values>> N :: 121.98(4.07) 1.N4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.2 C 0.15 Y 0.08 F 0.06 L 0.04 C Shift Assignments>> C :: 174.673 CA :: 53.205 CB :: 38.979 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 :: 8.390 HA :: 4.712 HB2 :: 2.813 HB3 :: 2.813 HD21 :: 6.937 HD22 :: 7.613 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.528 ND2 :: 113.087 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.21 C 0.02 L 0.01 C Shift Assignments>> C :: 177.548 CA :: 52.739 CB :: 19.421 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.141 HA :: 4.349 HB1 :: 1.394 HB2 :: 1.394 HB3 :: 1.394 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.015 Ave N Shift Values>> N :: 123.23(3.7) 1.I6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.7 C 0.29 C Shift Assignments>> C :: 176.346 CA :: 61.256 CB :: 38.916 CG1 :: 27.320 CG2 :: 17.784 CD1 :: 13.016 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.080 HA :: 4.228 HB :: 1.913 HG12 :: 1.501 HG13 :: 1.210 HG21 :: 0.921 HG22 :: 0.921 HG23 :: 0.921 HD11 :: 0.869 HD12 :: 0.869 HD13 :: 0.869 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 :: 119.290 Ave N Shift Values>> N :: 121.6(4.72) 1.S7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.644 CA :: 58.490 CB :: 64.119 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.360 HA :: 4.541 HB2 :: 3.920 HB3 :: 3.920 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.273 Ave N Shift Values>> N :: 116.3(3.95) 1.G8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 174.632 CA :: 45.450 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.380 HA2 :: 4.258 HA3 :: 4.181 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.096 Ave N Shift Values>> N :: 109.91(4.29) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 177.928 CA :: 64.159 CB :: 32.219 CG :: 27.450 CD :: 50.092 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 :: 4.533 HB2 :: 2.391 HB3 :: 2.050 HG2 :: 1.978 HG3 :: 2.095 HD2 :: 3.730 HD3 :: 3.695 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.N10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 D 0.18 C 0.17 Y 0.12 F 0.1 L 0.04 E 0.02 I 0.01 HN Overlap>> 2.R47 2.R47 C Shift Assignments>> C :: 176.527 CA :: 54.352 CB :: 38.858 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 :: 8.640 HA :: 4.833 HB2 :: 3.040 HB3 :: 2.970 HD21 :: 7.810 HD22 :: 7.055 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 :: 118.796 ND2 :: 113.446 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.2 K 0.05 M 0.03 Q 0.02 C Shift Assignments>> C :: 178.653 CA :: 59.523 CB :: 29.810 CG :: 36.409 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 :: 8.845 HA :: 4.377 HB2 :: 2.156 HB3 :: 2.117 HG2 :: 2.460 HG3 :: 2.350 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 :: 122.048 Ave N Shift Values>> N :: 120.68(3.68) 1.F12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.78 C 0.21 HN Overlap>> 2.Q40 2.Q40 C Shift Assignments>> C :: 177.319 CA :: 63.202 CB :: 38.756 CD1 :: 131.210 CD2 :: 131.210 CE1 :: 131.205 CE2 :: 131.205 CZ :: 129.436 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 :: 8.303 HA :: 4.370 HB2 :: 3.351 HB3 :: 3.167 HD1 :: 7.181 HD2 :: 7.181 HE1 :: 6.771 HE2 :: 6.771 HZ :: 6.737 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 :: 117.652 Ave N Shift Values>> N :: 120.69(4.18) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.28 I 0.05 C 0.03 C Shift Assignments>> C :: 180.814 CA :: 55.594 CB :: 17.909 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.090 HA :: 4.374 HB1 :: 1.619 HB2 :: 1.619 HB3 :: 1.619 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.755 Ave N Shift Values>> N :: 123.23(3.7) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 C 0.32 I 0.14 K 0.1 Q 0.06 M 0.02 HN Overlap>> 1.E24 1.E24 C Shift Assignments>> C :: 178.339 CA :: 59.117 CB :: 29.366 CG :: 35.873 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 :: 8.141 HA :: 4.287 HB2 :: 2.350 HB3 :: 2.291 HG2 :: 2.570 HG3 :: 2.499 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 :: 118.443 Ave N Shift Values>> N :: 120.68(3.68) 1.F15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 176.606 CA :: 61.900 CB :: 38.748 CD1 :: 130.983 CD2 :: 130.983 CE1 :: 131.157 CE2 :: 131.157 CZ :: 129.478 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 :: 8.189 HA :: 3.201 HB2 :: 2.899 HB3 :: 2.417 HD1 :: 5.858 HD2 :: 5.858 HE1 :: 6.871 HE2 :: 6.871 HZ :: 7.463 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 :: 121.186 Ave N Shift Values>> N :: 120.69(4.18) 1.Y16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.34 HN Overlap>> 2.R59 2.R59 C Shift Assignments>> C :: 179.474 CA :: 63.191 CB :: 37.276 CD1 :: 133.286 CD2 :: 133.286 CE1 :: 117.927 CE2 :: 117.927 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 :: 8.499 HA :: 4.010 HB2 :: 3.107 HB3 :: 2.934 HD1 :: 7.347 HD2 :: 7.347 HE1 :: 6.708 HE2 :: 6.708 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.075 Ave N Shift Values>> N :: 120.79(4.69) 1.N17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 Y 0.23 F 0.17 E 0.08 N 0.08 D 0.06 I 0.05 L 0.02 M 0.01 C Shift Assignments>> C :: 178.230 CA :: 56.526 CB :: 38.330 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 :: 8.346 HA :: 4.613 HB2 :: 3.049 HB3 :: 2.931 HD21 :: 7.708 HD22 :: 6.904 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 :: 121.322 ND2 :: 112.641 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.36 K 0.14 L 0.03 G 0.02 C Shift Assignments>> C :: 179.088 CA :: 58.269 CB :: 29.468 CG :: 27.423 CD :: 42.479 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 :: 8.282 HA :: 4.086 HB2 :: 1.963 HB3 :: 1.793 HG2 :: 1.935 HG3 :: 1.896 HD2 :: 3.321 HD3 :: 3.298 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 :: 120.931 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.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.35 R 0.1 C Shift Assignments>> C :: 178.580 CA :: 58.145 CB :: 41.856 CG :: 27.026 CD1 :: 25.926 CD2 :: 24.850 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 :: 8.497 HA :: 3.801 HB2 :: 1.031 HB3 :: 1.739 HG :: 1.471 HD11 :: 1.019 HD12 :: 1.019 HD13 :: 1.019 HD21 :: 0.797 HD22 :: 0.797 HD23 :: 0.797 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 :: 122.151 Ave N Shift Values>> N :: 121.98(4.07) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.38 R 0.19 M 0.02 G 0.01 C Shift Assignments>> C :: 178.863 CA :: 60.064 CB :: 32.223 CG :: 25.103 CD :: 29.740 CE :: 42.207 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 :: 7.902 HA :: 4.030 HB2 :: 2.126 HB3 :: 2.086 HG2 :: 1.661 HG3 :: 1.480 HD2 :: 1.771 HD3 :: 1.771 HE2 :: 3.032 HE3 :: 3.032 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 :: 119.542 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.22 E 0.12 R 0.06 I 0.04 M 0.01 C Shift Assignments>> C :: 179.365 CA :: 59.075 CB :: 28.402 CG :: 34.007 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 :: 7.571 HA :: 4.151 HB2 :: 2.340 HB3 :: 2.210 HG2 :: 2.641 HG3 :: 2.432 HE21 :: 7.302 HE22 :: 6.824 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 :: 118.397 NE2 :: 111.070 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 C 0.09 HN Overlap>> 2.K12 2.K12 C Shift Assignments>> C :: 178.417 CA :: 65.647 CB :: 38.791 CG1 :: 29.404 CG2 :: 19.065 CD1 :: 15.493 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 :: 8.231 HA :: 3.981 HB :: 2.133 HG12 :: 1.899 HG13 :: 1.171 HG21 :: 1.149 HG22 :: 1.149 HG23 :: 1.149 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 :: 121.761 Ave N Shift Values>> N :: 121.6(4.72) 1.K23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.33 R 0.24 G 0.01 M 0.01 HN Overlap>> 1.F25 1.M37 1.F25 1.M37 C Shift Assignments>> C :: 179.202 CA :: 60.547 CB :: 32.427 CG :: 25.835 CD :: 29.836 CE :: 42.119 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 :: 8.466 HA :: 3.990 HB2 :: 2.040 HB3 :: 2.040 HG2 :: 1.585 HG3 :: 1.438 HD2 :: 1.726 HD3 :: 1.726 HE2 :: 2.987 HE3 :: 2.915 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 :: 120.819 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 I 0.16 K 0.08 Q 0.03 M 0.02 HN Overlap>> 1.E14 1.E14 C Shift Assignments>> C :: 178.876 CA :: 58.996 CB :: 29.468 CG :: 36.219 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 :: 8.207 HA :: 4.089 HB2 :: 2.169 HB3 :: 2.090 HG2 :: 2.420 HG3 :: 2.361 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 :: 118.425 Ave N Shift Values>> N :: 120.68(3.68) 1.F25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.7 C 0.29 HN Overlap>> 1.M37 1.K23 1.M37 1.K23 C Shift Assignments>> C :: 177.983 CA :: 61.628 CB :: 39.215 CD1 :: 131.538 CD2 :: 131.538 CE1 :: 131.573 CE2 :: 131.573 CZ :: 129.971 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 :: 8.386 HA :: 4.215 HB2 :: 3.279 HB3 :: 3.191 HD1 :: 6.697 HD2 :: 6.697 HE1 :: 7.091 HE2 :: 7.091 HZ :: 7.068 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 :: 120.872 Ave N Shift Values>> N :: 120.69(4.18) 1.H26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 H 0.49 C Shift Assignments>> C :: 175.844 CA :: 58.606 CB :: 30.438 CD2 :: 119.787 CE1 :: 139.321 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 :: 8.004 HA :: 4.236 HB2 :: 3.325 HB3 :: 2.967 HD2 :: 7.804 HE1 :: 8.208 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 :: 115.727 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.08 K 0.06 L 0.01 C Shift Assignments>> C :: 177.047 CA :: 58.246 CB :: 29.978 CG :: 27.320 CD :: 43.477 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 :: 7.786 HA :: 4.090 HB2 :: 1.909 HB3 :: 1.909 HG2 :: 1.694 HG3 :: 1.587 HD2 :: 3.194 HD3 :: 3.171 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 :: 119.979 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.K28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.17 M 0.02 C Shift Assignments>> C :: 175.918 CA :: 56.404 CB :: 33.115 CG :: 24.953 CD :: 28.864 CE :: 42.073 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 :: 7.534 HA :: 4.130 HB2 :: 1.513 HB3 :: 1.513 HG2 :: 1.280 HG3 :: 1.210 HD2 :: 1.552 HD3 :: 1.552 HE2 :: 2.888 HE3 :: 2.888 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 :: 117.643 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H29 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.67 C 0.32 C Shift Assignments>> C :: 181.405(A) CA :: 53.306 CB :: 28.793 CD2 :: 120.913 CE1 :: 136.588 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 :: 7.985 HA :: 4.860 HB2 :: 2.909 HB3 :: 2.640 HD2 :: 6.800 HE1 :: 8.233 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 :: 118.478 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 177.555 CA :: 64.371 CB :: 32.124 CG :: 27.320 CD :: 50.371 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 :: 4.530 HB2 :: 2.339 HB3 :: 1.927 HG2 :: 1.990 HG3 :: 1.990 HD2 :: 3.503 HD3 :: 3.449 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.N31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.2 C 0.16 Y 0.09 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 174.764 CA :: 53.566 CB :: 38.946 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 :: 8.797 HA :: 4.796 HB2 :: 2.956 HB3 :: 2.819 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 :: 117.048 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 E 0.36 M 0.16 K 0.03 I 0.03 Q 0.02 C Shift Assignments>> C :: 175.549 CA :: 56.242 CB :: 31.101 CG :: 36.479 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 :: 7.901 HA :: 4.430 HB2 :: 2.139 HB3 :: 1.950 HG2 :: 2.264 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 :: 120.315 Ave N Shift Values>> N :: 120.68(3.68) 1.I33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 HN Overlap>> 2.D23 2.D23 C Shift Assignments>> C :: 175.972 CA :: 61.025 CB :: 38.959 CG1 :: 27.262 CG2 :: 17.750 CD1 :: 13.016 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 :: 8.134 HA :: 4.295 HB :: 1.911 HG12 :: 1.504 HG13 :: 1.211 HG21 :: 0.925 HG22 :: 0.925 HG23 :: 0.925 HD11 :: 0.860 HD12 :: 0.860 HD13 :: 0.860 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 :: 120.441 Ave N Shift Values>> N :: 121.6(4.72) 1.C34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.15 R 0.15 Q 0.14 C 0.13 E 0.11 H 0.11 I 0.1 L 0.05 M 0.01 C Shift Assignments>> C :: 174.113 CA :: 58.288 CB :: 28.229 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.840 HA :: 4.381 HB2 :: 2.681 HB3 :: 2.631 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 :: 123.752 Ave N Shift Values>> N :: 119.95(4.79) 1.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 173.905 CA :: 59.866 CB :: 32.591 CG1 :: 20.667 CG2 :: 21.204 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 :: 8.102 HA :: 4.367 HB :: 2.082 HG11 :: 0.910 HG12 :: 0.910 HG13 :: 0.910 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.650 Ave N Shift Values>> N :: 121.02(4.96) 1.P36 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 :: 176.749 CA :: 63.131 CB :: 32.161 CG :: 27.320 CD :: 50.989 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 :: 4.414 HB2 :: 2.246 HB3 :: 1.945 HG2 :: 2.024 HG3 :: 1.946 HD2 :: 3.796 HD3 :: 3.645 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.M37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.4 A 0.12 HN Overlap>> 1.F25 1.F25 1.K23 1.K23 C Shift Assignments>> C :: 175.555 CA :: 55.736 CB :: 33.275 CG :: 32.166 CE :: 17.020 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 :: 8.406 HA :: 4.442 HB2 :: 2.119 HB3 :: 1.987 HG2 :: 2.611 HG3 :: 2.549 HE1 :: 2.057 HE2 :: 2.057 HE3 :: 2.057 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 :: 120.856 Ave N Shift Values>> N :: 120.1(3.88) 1.S38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 178.388 CA :: 59.893 CB :: 64.990 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.816 HA :: 4.243 HB2 :: 3.829 HB3 :: 3.829 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.809 Ave N Shift Values>> N :: 116.3(3.95) 2.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.76 M 0.19 C 0.02 C Shift Assignments>> C :: 177.459 CA :: 52.472 CB :: 19.386 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> HA :: 4.359 HB1 :: 1.391 HB2 :: 1.391 HB3 :: 1.391 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 2.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.22 E 0.12 M 0.1 R 0.03 C Shift Assignments>> C :: 175.930 CA :: 55.852 CB :: 29.620 CG :: 33.906 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 :: 8.409 HA :: 4.359 HB2 :: 1.977 HB3 :: 1.977 HG2 :: 2.320 HG3 :: 2.320 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 :: 120.195 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.V4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 175.930 CA :: 62.417 CB :: 32.836 CG1 :: 21.147 CG2 :: 21.005 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 :: 8.229 HA :: 4.111 HB :: 2.034 HG11 :: 0.900 HG12 :: 0.900 HG13 :: 0.900 HG21 :: 0.962 HG22 :: 0.962 HG23 :: 0.962 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 :: 122.616 Ave N Shift Values>> N :: 121.02(4.96) 2.I5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> C :: 175.930 CA :: 61.001 CB :: 38.654 CG1 :: 27.320 CG2 :: 17.544 CD1 :: 12.604 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 :: 8.248 HA :: 4.200 HB :: 1.842 HG12 :: 1.470 HG13 :: 1.176 HG21 :: 0.840 HG22 :: 0.840 HG23 :: 0.840 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 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 :: 125.458 Ave N Shift Values>> N :: 121.6(4.72) 2.Q6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.26 C 0.24 K 0.22 E 0.11 M 0.1 R 0.04 C Shift Assignments>> C :: 175.737 CA :: 55.845 CB :: 29.620 CG :: 33.803 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 :: 8.420 HA :: 4.353 HB2 :: 2.078 HB3 :: 1.977 HG2 :: 2.353 HG3 :: 2.353 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 :: 125.092 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.35 M 0.13 K 0.06 I 0.04 Q 0.04 C Shift Assignments>> C :: 176.334 CA :: 56.736 CB :: 30.642 CG :: 36.273 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 :: 8.458 HA :: 4.331 HB2 :: 2.048 HB3 :: 1.939 HG2 :: 2.186 HG3 :: 2.186 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 :: 123.014 Ave N Shift Values>> N :: 120.68(3.68) 2.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.052 CA :: 62.080 CB :: 69.834 CG2 :: 21.660 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 :: 8.226 HA :: 4.320 HB :: 4.139 HG21 :: 1.180 HG22 :: 1.180 HG23 :: 1.180 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 :: 116.390 Ave N Shift Values>> N :: 115.7(5.05) 2.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.67 C 0.32 C Shift Assignments>> C :: 175.791 CA :: 60.939 CB :: 38.654 CG1 :: 27.320 CG2 :: 17.441 CD1 :: 12.707 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 :: 8.199 HA :: 4.185 HB :: 1.843 HG12 :: 1.459 HG13 :: 1.170 HG21 :: 0.889 HG22 :: 0.889 HG23 :: 0.889 HD11 :: 0.837 HD12 :: 0.837 HD13 :: 0.837 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 :: 124.392 Ave N Shift Values>> N :: 121.6(4.72) 2.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.53 C 0.46 C Shift Assignments>> C :: 174.147 CA :: 59.751 CB :: 32.693 CG1 :: 20.585 CG2 :: 21.007 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 :: 8.171 HA :: 4.422 HB :: 2.047 HG11 :: 0.933 HG12 :: 0.933 HG13 :: 0.933 HG21 :: 0.961 HG22 :: 0.961 HG23 :: 0.961 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 :: 126.435 Ave N Shift Values>> N :: 121.02(4.96) 2.P11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.34 C Shift Assignments>> C :: 176.532 CA :: 61.740 CB :: 32.202 CG :: 27.320 CD :: 51.115 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 :: 4.948 HB2 :: 2.281 HB3 :: 1.906 HG2 :: 2.051 HG3 :: 1.954 HD2 :: 3.878 HD3 :: 3.681 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) 2.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.38 R 0.16 M 0.03 G 0.01 HN Overlap>> 1.I22 1.I22 C Shift Assignments>> C :: 176.906 CA :: 56.181 CB :: 33.301 CG :: 24.701 CD :: 29.070 CE :: 42.242 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 :: 8.288 HA :: 4.285 HB2 :: 1.810 HB3 :: 1.740 HG2 :: 1.459 HG3 :: 1.459 HD2 :: 1.690 HD3 :: 1.690 HE2 :: 2.981 HE3 :: 2.981 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.850 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.3 K 0.13 Q 0.09 M 0.08 I 0.01 HN Overlap>> 2.Y75 2.Y75 C Shift Assignments>> C :: 177.310 CA :: 54.265 CB :: 29.635 CG :: 35.874 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 :: 8.283 HA :: 4.579 HB2 :: 2.021 HB3 :: 1.870 HG2 :: 2.269 HG3 :: 2.269 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 :: 123.039 Ave N Shift Values>> N :: 120.68(3.68) 2.P14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.55 P 0.44 C Shift Assignments>> CA :: 61.943 CB :: 32.954 CG :: 29.286 CD :: 50.534 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 :: 5.124 HB2 :: 2.375 HB3 :: 2.039 HG2 :: 2.049 HG3 :: 2.049 HD2 :: 3.657 HD3 :: 3.785 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) 2.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> CA :: 61.740 CB :: 32.771 CG :: 27.452 CD :: 50.083 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 :: 4.945 HB2 :: 2.391 HB3 :: 2.070 HG2 :: 1.887 HG3 :: 1.808 HD2 :: 3.710 HD3 :: 3.501 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) 2.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.905 CA :: 63.147 CB :: 31.982 CG :: 27.423 CD :: 50.371 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 :: 4.364 HB2 :: 2.220 HB3 :: 1.769 HG2 :: 1.950 HG3 :: 1.950 HD2 :: 3.791 HD3 :: 3.627 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) 2.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.09 M 0.08 Q 0.05 I 0.05 C Shift Assignments>> C :: 176.111 CA :: 56.912 CB :: 30.080 CG :: 36.170 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 :: 8.430 HA :: 4.147 HB2 :: 1.912 HB3 :: 1.855 HG2 :: 2.183 HG3 :: 2.100 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 :: 120.031 Ave N Shift Values>> N :: 120.68(3.68) 2.F18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 Y 0.36 C 0.26 HN Overlap>> 2.K56 2.K56 C Shift Assignments>> C :: 175.206 CA :: 57.515 CB :: 39.776 CD1 :: 131.810 CD2 :: 131.810 CE1 :: 129.849 CE2 :: 129.849 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 :: 7.988 HA :: 4.570 HB2 :: 3.050 HB3 :: 2.950 HD1 :: 7.159 HD2 :: 7.159 HE1 :: 7.232 HE2 :: 7.232 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 :: 119.726 Ave N Shift Values>> N :: 120.69(4.18) 2.E19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.35 C 0.33 M 0.13 K 0.07 Q 0.05 I 0.03 C Shift Assignments>> C :: 175.374 CA :: 56.513 CB :: 30.546 CG :: 36.087 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 :: 8.109 HA :: 4.183 HB2 :: 1.853 HB3 :: 1.798 HG2 :: 2.107 HG3 :: 2.031 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 :: 122.328 Ave N Shift Values>> N :: 120.68(3.68) 2.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.36 Y 0.36 C 0.26 C Shift Assignments>> C :: 175.108 CA :: 57.599 CB :: 39.706 CD1 :: 131.864 CD2 :: 131.864 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 :: 8.041 HA :: 4.576 HB2 :: 3.081 HB3 :: 2.997 HD1 :: 7.225 HD2 :: 7.225 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 :: 120.912 Ave N Shift Values>> N :: 120.69(4.18) 2.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.66 C 0.33 C Shift Assignments>> C :: 174.969 CA :: 60.622 CB :: 38.789 CG1 :: 27.217 CG2 :: 17.441 CD1 :: 13.156 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 :: 7.940 HA :: 4.081 HB :: 1.757 HG12 :: 1.394 HG13 :: 1.091 HG21 :: 0.850 HG22 :: 0.850 HG23 :: 0.850 HD11 :: 0.742 HD12 :: 0.742 HD13 :: 0.742 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 :: 123.402 Ave N Shift Values>> N :: 121.6(4.72) 2.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.17 C 0.02 L 0.01 C Shift Assignments>> C :: 176.185 CA :: 52.236 CB :: 19.535 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.160 HA :: 4.228 HB1 :: 1.354 HB2 :: 1.354 HB3 :: 1.354 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.644 Ave N Shift Values>> N :: 123.23(3.7) 2.D23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.32 D 0.31 C 0.12 L 0.09 F 0.05 Y 0.05 K 0.02 HN Overlap>> 1.I33 1.I33 C Shift Assignments>> C :: 173.881 CA :: 52.577 CB :: 40.136 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 :: 8.218 HA :: 4.747 HB2 :: 2.533 HB3 :: 2.432 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.496 Ave N Shift Values>> N :: 120.73(4.2) 2.P24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.62 C 0.37 C Shift Assignments>> CA :: 61.380 CB :: 30.776 CG :: 27.361 CD :: 50.208 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 :: 4.499 HB2 :: 1.750 HB3 :: 2.132 HG2 :: 1.714 HG3 :: 1.640 HD2 :: 3.313 HD3 :: 3.492 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) 2.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.81 C 0.18 C Shift Assignments>> C :: 176.942 CA :: 63.187 CB :: 32.059 CG :: 27.217 CD :: 50.371 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 :: 4.433 HB2 :: 2.245 HB3 :: 1.902 HG2 :: 1.925 HG3 :: 1.925 HD2 :: 3.670 HD3 :: 3.504 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) 2.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.666 CA :: 58.566 CB :: 63.094 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.190 HA :: 4.337 HB2 :: 3.906 HB3 :: 3.906 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 :: 113.120 Ave N Shift Values>> N :: 116.3(3.95) 2.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 C Shift Assignments>> C :: 175.066 CA :: 59.754 CB :: 39.412 CG1 :: 27.114 CG2 :: 17.671 CD1 :: 12.773 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 :: 7.611 HA :: 4.430 HB :: 1.791 HG12 :: 1.451 HG13 :: 1.291 HG21 :: 0.938 HG22 :: 0.938 HG23 :: 0.938 HD11 :: 0.721 HD12 :: 0.721 HD13 :: 0.721 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 :: 121.543 Ave N Shift Values>> N :: 121.6(4.72) 2.S28 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 :: 174.154 CA :: 57.922 CB :: 65.134 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.041 HA :: 4.503 HB2 :: 4.322 HB3 :: 4.089 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 :: 122.629 Ave N Shift Values>> N :: 116.3(3.95) 2.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.37 C 0.03 I 0.03 V 0.01 C Shift Assignments>> C :: 179.232 CA :: 55.250 CB :: 18.598 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.758 HA :: 4.057 HB1 :: 1.583 HB2 :: 1.583 HB3 :: 1.583 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.764 Ave N Shift Values>> N :: 123.23(3.7) 2.F30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.38 Y 0.38 C 0.22 C Shift Assignments>> C :: 175.308 CA :: 60.130 CB :: 39.145 CD1 :: 131.867 CD2 :: 131.867 CZ :: 129.251 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 :: 8.068 HA :: 3.370 HB2 :: 2.709 HB3 :: 2.709 HD1 :: 7.112 HD2 :: 7.112 HE1 :: 7.151 HE2 :: 7.151 HZ :: 7.071 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 :: 117.510 Ave N Shift Values>> N :: 120.69(4.18) 2.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.24 Y 0.22 C 0.17 D 0.09 L 0.09 K 0.06 I 0.06 N 0.02 HN Overlap>> 2.L50 2.L50 C Shift Assignments>> C :: 178.562 CA :: 57.434 CB :: 40.193 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 :: 7.509 HA :: 3.855 HB2 :: 2.748 HB3 :: 2.369 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 :: 118.682 Ave N Shift Values>> N :: 120.73(4.2) 2.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.37 R 0.02 C Shift Assignments>> C :: 176.328 CA :: 58.112 CB :: 41.388 CG :: 26.720 CD1 :: 24.206 CD2 :: 24.735 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 :: 8.093 HA :: 3.860 HB2 :: 1.681 HB3 :: 1.681 HG :: 1.655 HD11 :: 0.788 HD12 :: 0.788 HD13 :: 0.788 HD21 :: 0.892 HD22 :: 0.892 HD23 :: 0.892 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 :: 118.731 Ave N Shift Values>> N :: 121.98(4.07) 2.D33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.21 Y 0.18 K 0.15 C 0.15 L 0.12 D 0.08 I 0.04 R 0.03 N 0.01 HN Overlap>> 2.K56 2.K56 C Shift Assignments>> CA :: 57.566 CB :: 40.869 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 :: 7.947 HA :: 4.570 HB2 :: 2.897 HB3 :: 2.518 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 :: 119.857 Ave N Shift Values>> N :: 120.73(4.2) 2.V34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 HN Overlap>> 2.L79 2.L79 C Shift Assignments>> CA :: 67.521 CB :: 31.263 CG1 :: 23.178 CG2 :: 21.676 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 :: 7.847 HA :: 3.341 HB :: 1.833 HG11 :: 0.330 HG12 :: 0.330 HG13 :: 0.330 HG21 :: 0.574 HG22 :: 0.574 HG23 :: 0.574 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 :: 121.258 Ave N Shift Values>> N :: 121.02(4.96) 2.V35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> CA :: 66.922 CB :: 30.845 CG1 :: 22.087 CG2 :: 21.125 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 :: 8.172 HA :: 3.058 HB :: 2.070 HG11 :: 0.850 HG12 :: 0.850 HG13 :: 0.850 HG21 :: 0.020 HG22 :: 0.020 HG23 :: 0.020 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 :: 124.188 Ave N Shift Values>> N :: 121.02(4.96) 2.K36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.34 K 0.19 G 0.02 C Shift Assignments>> C :: 178.614 CA :: 61.109 CB :: 32.827 CG :: 26.624 CD :: 30.099 CE :: 42.357 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.385 HA :: 4.017 HB2 :: 1.984 HB3 :: 1.984 HG2 :: 1.750 HG3 :: 1.502 HD2 :: 1.740 HD3 :: 1.740 HE2 :: 2.983 HE3 :: 2.983 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 :: 119.070 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.33 R 0.15 G 0.03 C Shift Assignments>> C :: 179.214 CA :: 58.288 CB :: 42.685 CG :: 26.883 CD1 :: 26.497 CD2 :: 24.593 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 :: 8.159 HA :: 4.201 HB2 :: 1.953 HB3 :: 1.656 HG :: 1.748 HD11 :: 0.486 HD12 :: 0.486 HD13 :: 0.486 HD21 :: 1.062 HD22 :: 1.062 HD23 :: 1.062 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 :: 119.804 Ave N Shift Values>> N :: 121.98(4.07) 2.T38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.564 CA :: 68.600 CB :: 68.599 CG2 :: 22.570 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 :: 8.563 HA :: 4.158 HB :: 4.712 HG21 :: 1.469 HG22 :: 1.469 HG23 :: 1.469 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 :: 115.187 Ave N Shift Values>> N :: 115.7(5.05) 2.A39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 A 0.28 C 0.05 V 0.03 I 0.03 L 0.02 T 0.01 C Shift Assignments>> C :: 179.118 CA :: 55.837 CB :: 19.517 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.261 HA :: 4.100 HB1 :: 1.487 HB2 :: 1.487 HB3 :: 1.487 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.953 Ave N Shift Values>> N :: 123.23(3.7) 2.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.22 Q 0.21 E 0.09 R 0.07 I 0.04 P 0.02 M 0.01 HN Overlap>> 1.F12 1.F12 C Shift Assignments>> C :: 178.185 CA :: 59.597 CB :: 28.152 CG :: 33.807 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 :: 8.320 HA :: 3.550 HB2 :: 2.221 HB3 :: 1.911 HG2 :: 2.205 HG3 :: 1.529 HE21 :: 6.500 HE22 :: 6.633 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.691 NE2 :: 108.680 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> C :: 178.791 CA :: 62.424 CB :: 39.266 CD1 :: 131.225 CD2 :: 131.225 CE1 :: 132.386 CE2 :: 132.386 CZ :: 129.166 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 :: 8.298 HA :: 3.649 HB2 :: 3.020 HB3 :: 1.920 HD1 :: 7.203 HD2 :: 7.203 HE1 :: 7.452 HE2 :: 7.452 HZ :: 7.141 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 :: 118.961 Ave N Shift Values>> N :: 120.69(4.18) 2.V42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.77 C 0.22 C Shift Assignments>> C :: 178.242 CA :: 66.732 CB :: 31.816 CG1 :: 25.088 CG2 :: 22.381 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 :: 9.028 HA :: 3.658 HB :: 2.305 HG11 :: 1.393 HG12 :: 1.393 HG13 :: 1.393 HG21 :: 1.069 HG22 :: 1.069 HG23 :: 1.069 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 :: 122.330 Ave N Shift Values>> N :: 121.02(4.96) 2.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.37 C 0.05 L 0.03 V 0.02 I 0.01 T 0.01 C Shift Assignments>> C :: 179.220 CA :: 55.230 CB :: 19.669 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.630 HA :: 3.917 HB1 :: 1.471 HB2 :: 1.471 HB3 :: 1.471 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.410 Ave N Shift Values>> N :: 123.23(3.7) 2.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 K 0.14 G 0.06 C Shift Assignments>> C :: 177.173 CA :: 58.246 CB :: 31.378 CG :: 27.350 CD :: 43.282 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 :: 7.215 HA :: 4.081 HB2 :: 1.579 HB3 :: 1.479 HG2 :: 1.501 HG3 :: 1.360 HD2 :: 2.928 HD3 :: 2.832 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 :: 113.544 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.22 K 0.16 C 0.1 F 0.08 Y 0.06 R 0.06 N 0.05 C Shift Assignments>> C :: 176.117 CA :: 54.638 CB :: 41.562 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 :: 7.813 HA :: 4.774 HB2 :: 2.717 HB3 :: 2.250 HD21 :: 6.080 HD22 :: 7.868 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 :: 113.608 ND2 :: 113.924 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.69 L 0.12 C 0.08 R 0.06 F 0.01 C Shift Assignments>> C :: 174.743 CA :: 45.056 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.463 HA2 :: 4.470 HA3 :: 4.089 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.330 Ave N Shift Values>> N :: 109.91(4.29) 2.R47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 K 0.11 G 0.05 HN Overlap>> 1.N10 1.N10 C Shift Assignments>> C :: 178.580 CA :: 59.234 CB :: 30.154 CG :: 27.678 CD :: 43.111 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.640 HA :: 4.047 HB2 :: 1.971 HB3 :: 1.971 HG2 :: 1.793 HG3 :: 1.770 HD2 :: 3.280 HD3 :: 3.280 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.725 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.Q48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 Q 0.21 K 0.2 R 0.08 E 0.08 I 0.04 P 0.01 M 0.01 C Shift Assignments>> C :: 178.109 CA :: 59.138 CB :: 27.659 CG :: 33.906 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 :: 9.163 HA :: 4.252 HB2 :: 2.261 HB3 :: 2.182 HG2 :: 2.522 HG3 :: 2.522 HE21 :: 6.972 HE22 :: 7.564 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.255 NE2 :: 111.785 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.F49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.72 C 0.27 C Shift Assignments>> C :: 176.353 CA :: 61.284 CB :: 40.094 CD1 :: 131.639 CD2 :: 131.639 CE1 :: 130.552 CE2 :: 130.552 CZ :: 129.488 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 :: 7.420 HA :: 4.139 HB2 :: 3.149 HB3 :: 2.979 HD1 :: 6.811 HD2 :: 6.811 HE1 :: 6.290 HE2 :: 6.290 HZ :: 5.885 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 :: 120.344 Ave N Shift Values>> N :: 120.69(4.18) 2.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.35 R 0.13 K 0.01 G 0.01 HN Overlap>> 2.D31 2.D31 C Shift Assignments>> C :: 177.753 CA :: 58.366 CB :: 41.936 CG :: 27.407 CD1 :: 25.822 CD2 :: 24.591 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 :: 7.457 HA :: 3.901 HB2 :: 2.300 HB3 :: 1.740 HG :: 1.744 HD11 :: 1.161 HD12 :: 1.161 HD13 :: 1.161 HD21 :: 1.176 HD22 :: 1.176 HD23 :: 1.176 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 :: 118.774 Ave N Shift Values>> N :: 121.98(4.07) 2.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 177.119 CA :: 66.665 CB :: 68.798 CG2 :: 21.806 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 :: 8.639 HA :: 3.876 HB :: 4.230 HG21 :: 1.263 HG22 :: 1.263 HG23 :: 1.263 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.612 Ave N Shift Values>> N :: 115.7(5.05) 2.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 E 0.22 K 0.18 Q 0.18 I 0.06 M 0.03 R 0.02 C Shift Assignments>> C :: 178.284 CA :: 59.016 CB :: 29.175 CG :: 34.729 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 :: 7.665 HA :: 4.000 HB2 :: 2.130 HB3 :: 1.799 HG2 :: 2.480 HG3 :: 2.190 HE21 :: 7.088 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 :: 120.540 NE2 :: 110.341 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.L53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.39 R 0.11 K 0.01 C Shift Assignments>> C :: 177.747 CA :: 58.189 CB :: 41.715 CG :: 26.481 CD1 :: 26.960 CD2 :: 23.978 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 :: 8.440 HA :: 3.725 HB2 :: 1.597 HB3 :: 0.898 HG :: 0.886 HD11 :: 0.475 HD12 :: 0.475 HD13 :: 0.475 HD21 :: 0.329 HD22 :: 0.329 HD23 :: 0.329 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 :: 122.599 Ave N Shift Values>> N :: 121.98(4.07) 2.M54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 M 0.41 C Shift Assignments>> C :: 178.055 CA :: 59.340 CB :: 33.448 CG :: 33.359 CE :: 16.689 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 :: 8.295 HA :: 3.566 HB2 :: 2.110 HB3 :: 2.021 HG2 :: 2.689 HG3 :: 2.259 HE1 :: 2.032 HE2 :: 2.032 HE3 :: 2.032 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 :: 115.551 Ave N Shift Values>> N :: 120.1(3.88) 2.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.24 E 0.11 R 0.06 M 0.02 I 0.02 C Shift Assignments>> C :: 178.683 CA :: 58.386 CB :: 28.560 CG :: 33.847 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 :: 7.309 HA :: 4.031 HB2 :: 2.091 HB3 :: 2.091 HG2 :: 2.470 HG3 :: 2.333 HE21 :: 6.725 HE22 :: 7.300 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.934 NE2 :: 111.052 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.13 M 0.01 HN Overlap>> 2.D33 2.F18 2.D33 2.F18 C Shift Assignments>> C :: 179.124 CA :: 59.239 CB :: 33.398 CG :: 25.166 CD :: 29.132 CE :: 41.721 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 :: 7.977 HA :: 3.963 HB2 :: 1.821 HB3 :: 1.776 HG2 :: 1.392 HG3 :: 1.334 HD2 :: 1.521 HD3 :: 1.235 HE2 :: 2.367 HE3 :: 2.367 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 :: 119.767 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.E57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Q 0.29 K 0.25 C 0.25 E 0.08 R 0.06 M 0.03 C Shift Assignments>> C :: 177.765 CA :: 54.724 CB :: 28.447 CG :: 33.906 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 :: 7.940 HA :: 4.873 HB2 :: 2.406 HB3 :: 1.039(S) HG2 :: 1.824 HG3 :: 1.148(S) 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 :: 114.560 Ave N Shift Values>> N :: 120.68(3.68) 2.Q58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.23 E 0.1 R 0.05 M 0.05 I 0.01 C Shift Assignments>> C :: 176.316 CA :: 58.834 CB :: 29.250 CG :: 33.561 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 6.881 HA :: 4.050 HB2 :: 2.270 HB3 :: 2.168 HG2 :: 2.414 HG3 :: 2.261 HE21 :: 6.819 HE22 :: 7.560 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.304 NE2 :: 111.377 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.R59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.32 K 0.08 G 0.06 L 0.05 HN Overlap>> 1.Y16 1.Y16 C Shift Assignments>> C :: 174.916 CA :: 55.230 CB :: 29.363 CG :: 27.770 CD :: 43.168 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 :: 8.457 HA :: 4.471 HB2 :: 2.134 HB3 :: 1.639 HG2 :: 1.611 HG3 :: 1.562 HD2 :: 3.199 HD3 :: 3.199 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.026 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.N60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.23 C 0.14 L 0.04 Y 0.04 F 0.04 C Shift Assignments>> C :: 176.280 CA :: 51.679 CB :: 39.419 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 :: 7.816 HA :: 4.889 HB2 :: 3.673 HB3 :: 2.879 HD21 :: 7.134 HD22 :: 8.500 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 119.295 ND2 :: 111.997 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.Y61 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 :: 176.835 CA :: 59.167 CB :: 37.480 CD1 :: 133.424 CD2 :: 133.424 CE1 :: 118.361 CE2 :: 118.361 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 :: 8.498 HA :: 4.541 HB2 :: 3.219 HB3 :: 3.135 HD1 :: 7.262 HD2 :: 7.262 HE1 :: 6.952 HE2 :: 6.952 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 :: 126.471 Ave N Shift Values>> N :: 120.79(4.69) 2.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Q 0.24 K 0.22 E 0.16 M 0.06 R 0.03 I 0.01 C Shift Assignments>> C :: 176.111 CA :: 57.347 CB :: 29.380 CG :: 34.143 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 :: 7.427 HA :: 3.729 HB2 :: 1.720 HB3 :: 1.573 HG2 :: 1.923 HG3 :: 1.786 HE21 :: 6.584 HE22 :: 7.229 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 :: 120.768 NE2 :: 111.814 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.56 C 0.43 C Shift Assignments>> C :: 175.591 CA :: 58.190 CB :: 38.755 CD1 :: 131.841 CD2 :: 131.841 CE1 :: 130.741 CE2 :: 130.741 CZ :: 128.690 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 :: 7.527 HA :: 4.230 HB2 :: 3.146 HB3 :: 2.464 HD1 :: 6.905 HD2 :: 6.905 HE1 :: 7.490 HE2 :: 7.490 HZ :: 7.222 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.285 Ave N Shift Values>> N :: 120.69(4.18) 2.D64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 C 0.18 D 0.09 L 0.08 I 0.06 K 0.04 N 0.02 C Shift Assignments>> C :: 175.815 CA :: 57.376 CB :: 39.909 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 :: 7.592 HA :: 4.161 HB2 :: 2.708 HB3 :: 2.708 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 121.940 Ave N Shift Values>> N :: 120.73(4.2) 2.F65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 F 0.48 C Shift Assignments>> C :: 180.875 CA :: 57.967 CB :: 38.742 CD1 :: 132.350 CD2 :: 132.350 CE1 :: 132.352 CE2 :: 132.352 CZ :: 129.159 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.660 HA :: 3.941 HB2 :: 2.959 HB3 :: 2.349 HD1 :: 6.841 HD2 :: 6.841 HE1 :: 6.879 HE2 :: 6.879 HZ :: 7.409 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 112.323 Ave N Shift Values>> N :: 120.69(4.18) 2.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 C 0.26 R 0.04 G 0.02 A 0.01 C Shift Assignments>> C :: 176.757 CA :: 54.683 CB :: 42.399 CG :: 25.482 CD1 :: 26.060 CD2 :: 23.964 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 :: 6.384 HA :: 3.879 HB2 :: 1.450 HB3 :: 1.450 HG :: 0.601 HD11 :: 0.590 HD12 :: 0.590 HD13 :: 0.590 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 :: 114.737 Ave N Shift Values>> N :: 121.98(4.07) 2.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.3 G 0.14 K 0.06 L 0.01 C Shift Assignments>> C :: 175.032 CA :: 53.347 CB :: 29.960 CG :: 28.043 CD :: 43.494 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 :: 7.857 HA :: 4.499 HB2 :: 1.935 HB3 :: 1.855 HG2 :: 1.670 HG3 :: 1.540 HD2 :: 3.189 HD3 :: 3.189 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 118.331 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 2.P68 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 176.725 CA :: 63.268 CB :: 31.676 CG :: 27.111 CD :: 50.352 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 :: 2.651(S) HB2 :: 1.639 HB3 :: 1.551 HG2 :: 1.791 HG3 :: 1.542 HD2 :: 3.623 HD3 :: 3.472 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) 2.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.26 K 0.23 E 0.1 R 0.07 M 0.01 I 0.01 C Shift Assignments>> C :: 176.020 CA :: 56.809 CB :: 27.863 CG :: 34.077 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 :: 7.632 HA :: 4.204 HB2 :: 2.150 HB3 :: 2.071 HG2 :: 2.387 HG3 :: 2.351 HE21 :: 6.800 HE22 :: 7.548 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 :: 113.386 NE2 :: 112.004 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.H70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.74 H 0.25 HN Overlap>> 1.L3 1.L3 C Shift Assignments>> C :: 177.560 CA :: 59.114 CB :: 33.856 CD2 :: 118.915 CE1 :: 137.672 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 :: 8.384 HA :: 4.339 HB2 :: 3.283 HB3 :: 3.283 HD2 :: 7.179 HE1 :: 7.614 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 :: 123.334 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 2.S71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.328 CA :: 61.932 CB :: 63.208 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.101 HA :: 4.254 HB2 :: 3.858 HB3 :: 3.858 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 123.793 Ave N Shift Values>> N :: 116.3(3.95) 2.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.53 C 0.24 R 0.12 G 0.07 A 0.01 C Shift Assignments>> C :: 176.990 CA :: 54.993 CB :: 43.181 CG :: 27.083 CD1 :: 25.668 CD2 :: 23.422 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>> HA :: 4.911 HB2 :: 2.271 HB3 :: 1.965 HG :: 1.948 HD11 :: 0.962 HD12 :: 0.962 HD13 :: 0.962 HD21 :: 0.850 HD22 :: 0.850 HD23 :: 0.850 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) 2.F73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.69 C 0.3 C Shift Assignments>> C :: 177.603 CA :: 62.888 CB :: 39.572 CD1 :: 132.967 CD2 :: 132.967 CE1 :: 130.942 CE2 :: 130.942 CZ :: 129.756 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 :: 8.293 HA :: 4.939 HB2 :: 3.843 HB3 :: 3.063 HD1 :: 7.465 HD2 :: 7.465 HE1 :: 7.376 HE2 :: 7.376 HZ :: 7.322 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.695 Ave N Shift Values>> N :: 120.69(4.18) 2.N74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 Y 0.22 F 0.15 E 0.14 N 0.06 I 0.05 D 0.04 M 0.02 L 0.01 C Shift Assignments>> C :: 177.373 CA :: 56.649 CB :: 37.816 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 :: 9.030 HA :: 4.409 HB2 :: 3.062 HB3 :: 2.868 HD21 :: 7.688 HD22 :: 6.986 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 :: 118.882 ND2 :: 112.000 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 2.Y75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.65 C 0.34 HN Overlap>> 2.E13 2.E13 C Shift Assignments>> C :: 174.941 CA :: 61.000 CB :: 38.352 CD1 :: 132.501 CD2 :: 132.501 CE1 :: 118.349 CE2 :: 118.349 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 :: 8.280 HA :: 4.203 HB2 :: 3.290 HB3 :: 3.022 HD1 :: 6.961 HD2 :: 6.961 HE1 :: 6.619 HE2 :: 6.619 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 :: 123.082 Ave N Shift Values>> N :: 120.79(4.69) 2.F76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.34 C Shift Assignments>> C :: 175.881 CA :: 61.266 CB :: 38.666 CD1 :: 132.544 CD2 :: 132.544 CE1 :: 130.717 CE2 :: 130.717 CZ :: 129.497 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 :: 8.519 HA :: 3.788 HB2 :: 3.470 HB3 :: 3.229 HD1 :: 7.159 HD2 :: 7.159 HE1 :: 7.139 HE2 :: 7.139 HZ :: 7.057 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 :: 118.860 Ave N Shift Values>> N :: 120.69(4.18) 2.T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.769 CA :: 66.630 CB :: 68.703 CG2 :: 21.536 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 :: 8.362 HA :: 3.110 HB :: 4.007 HG21 :: 0.904 HG22 :: 0.904 HG23 :: 0.904 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 113.338 Ave N Shift Values>> N :: 115.7(5.05) 2.K78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 C 0.33 R 0.27 M 0.01 C Shift Assignments>> C :: 179.172 CA :: 58.469 CB :: 31.543 CG :: 24.850 CD :: 28.590 CE :: 42.139 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 :: 7.798 HA :: 3.938 HB2 :: 1.862 HB3 :: 1.726 HG2 :: 1.438 HG3 :: 1.397 HD2 :: 1.602 HD3 :: 1.602 HE2 :: 2.905 HE3 :: 2.905 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 :: 122.773 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 2.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.39 R 0.08 A 0.01 HN Overlap>> 2.V34 2.V34 C Shift Assignments>> C :: 178.447 CA :: 57.501 CB :: 41.755 CG :: 26.035 CD1 :: 26.592 CD2 :: 22.512 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 :: 7.865 HA :: 3.592 HB2 :: 1.579 HB3 :: 0.887 HG :: 1.040 HD11 :: 0.459 HD12 :: 0.459 HD13 :: 0.459 HD21 :: 0.550 HD22 :: 0.550 HD23 :: 0.550 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 :: 121.225 Ave N Shift Values>> N :: 121.98(4.07) 2.V80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 179.032 CA :: 67.388 CB :: 31.310 CG1 :: 23.281 CG2 :: 21.637 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 :: 7.801 HA :: 3.260 HB :: 1.831 HG11 :: 0.437 HG12 :: 0.437 HG13 :: 0.437 HG21 :: 0.678 HG22 :: 0.678 HG23 :: 0.678 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 118.475 Ave N Shift Values>> N :: 121.02(4.96) 2.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.32 I 0.2 K 0.07 Q 0.03 M 0.02 C Shift Assignments>> C :: 179.069 CA :: 59.523 CB :: 29.417 CG :: 36.229 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 :: 7.464 HA :: 3.851 HB2 :: 2.080 HB3 :: 2.045 HG2 :: 2.350 HG3 :: 2.117 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 :: 118.468 Ave N Shift Values>> N :: 120.68(3.68) 2.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.24 K 0.23 E 0.11 R 0.06 I 0.02 M 0.02 C Shift Assignments>> C :: 178.079 CA :: 58.490 CB :: 28.492 CG :: 33.906 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 :: 7.907 HA :: 3.910 HB2 :: 1.935 HB3 :: 1.840 HG2 :: 2.207 HG3 :: 2.102 HE21 :: 7.009 HE22 :: 6.589 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.104 NE2 :: 110.326 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.Y83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.54 C 0.45 C Shift Assignments>> C :: 176.401 CA :: 57.860 CB :: 38.296 CD1 :: 132.003 CD2 :: 132.003 CE1 :: 118.227 CE2 :: 118.227 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 :: 8.046 HA :: 4.618 HB2 :: 3.231 HB3 :: 2.710 HD1 :: 6.901 HD2 :: 6.901 HE1 :: 6.779 HE2 :: 6.779 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.279 Ave N Shift Values>> N :: 120.79(4.69) 2.T84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.97 C 0.02 C Shift Assignments>> C :: 173.358 CA :: 63.895 CB :: 69.728 CG2 :: 21.352 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 :: 7.626 HA :: 4.173 HB :: 4.343 HG21 :: 1.287 HG22 :: 1.287 HG23 :: 1.287 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 :: 115.723 Ave N Shift Values>> N :: 115.7(5.05) 2.K85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.38 R 0.17 M 0.02 G 0.01 C Shift Assignments>> C :: 181.175 CA :: 57.923 CB :: 33.610 CG :: 24.755 CD :: 29.154 CE :: 42.399 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 :: 7.553 HA :: 4.128 HB2 :: 1.830 HB3 :: 1.750 HG2 :: 1.432 HG3 :: 1.432 HD2 :: 1.661 HD3 :: 1.661 HE2 :: 2.977 HE3 :: 2.977 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 :: 129.491 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) ########################################################################### Overall Results: #Consistent: 120 #Clerical: 0 #Suspicious: 2 #Anomalous: 1 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 121 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 123 #Suspicious: 0 C Shift Results: #Consistent: 579 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 904 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 123 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.H29 C = 181.405(A), Expected = 175.19, Std = 2.1400, ChiSquare = 3.6819e-03 2.E57 HB3 = 1.039(S), Expected = 2.04, Std = 0.2300, ChiSquare = 1.3479e-05 2.E57 HG3 = 1.148(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.1420e-08 2.P68 HA = 2.651(S), Expected = 4.41, Std = 0.3600, ChiSquare = 1.0285e-06