Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.744 CA :: 58.416 CB :: 64.085 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.580 HB2 :: 3.901 HB3 :: 3.901 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.028 CA :: 58.627 CB :: 63.847 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.584 HA :: 4.487 HB2 :: 3.918 HB3 :: 3.918 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 118.072 Ave N Shift Values>> N :: 116.3(3.95) 1.G4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.291 CA :: 45.412 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.469 HA2 :: 4.022 HA3 :: 4.022 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.934 Ave N Shift Values>> N :: 109.91(4.29) 1.S5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.679 CA :: 58.350 CB :: 63.956 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.274 HA :: 4.482 HB2 :: 3.909 HB3 :: 3.909 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 :: 115.735 Ave N Shift Values>> N :: 116.3(3.95) 1.S6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.446 CA :: 58.410 CB :: 63.969 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.429 HA :: 4.531 HB2 :: 3.901 HB3 :: 3.901 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.790 Ave N Shift Values>> N :: 116.3(3.95) 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.14 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.554 CA :: 44.671 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.210 HA2 :: 4.093 HA3 :: 4.093 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.687 Ave N Shift Values>> N :: 109.91(4.29) 1.P8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.073 CA :: 63.099 CB :: 32.206 CG :: 27.163 CD :: 49.776 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 :: 4.452 HB2 :: 2.257 HB3 :: 1.888 HG2 :: 1.992 HG3 :: 1.992 HD2 :: 3.613 HD3 :: 3.613 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.I9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 HN Overlap>> 1.R13 1.R13 C Shift Assignments>> C :: 176.536 CA :: 61.240 CB :: 38.555 CG1 :: 27.389 CG2 :: 17.681 CD1 :: 12.911 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 :: 8.353 HA :: 4.213 HB :: 1.867 HG12 :: 1.498 HG13 :: 1.206 HG21 :: 0.910 HG22 :: 0.910 HG23 :: 0.910 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 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 :: 121.419 Ave N Shift Values>> N :: 121.6(4.72) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.K63 1.H20 1.K63 1.H20 C Shift Assignments>> C :: 174.044 CA :: 61.529 CB :: 69.948 CG2 :: 21.569 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 :: 8.187 HA :: 4.373 HB :: 4.235 HG21 :: 1.164 HG22 :: 1.164 HG23 :: 1.164 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 118.018 Ave N Shift Values>> N :: 115.7(5.05) 1.D11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.22 K 0.15 N 0.09 F 0.09 Y 0.07 R 0.04 C Shift Assignments>> C :: 176.129 CA :: 54.277 CB :: 41.295 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.277 HA :: 4.605 HB2 :: 2.729 HB3 :: 2.613 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 :: 122.865 Ave N Shift Values>> N :: 120.73(4.2) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.6 K 0.14 M 0.14 I 0.1 C Shift Assignments>> C :: 176.581 CA :: 57.041 CB :: 30.103 CG :: 36.245 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 :: 8.475 HA :: 4.227 HB2 :: 2.060 HB3 :: 1.931 HG2 :: 2.272 HG3 :: 2.231 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 :: 121.871 Ave N Shift Values>> N :: 120.68(3.68) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.16 G 0.11 L 0.01 HN Overlap>> 1.I9 1.I9 C Shift Assignments>> C :: 176.355 CA :: 56.404 CB :: 30.583 CG :: 26.989 CD :: 43.339 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 :: 8.315 HA :: 4.241 HB2 :: 1.741 HB3 :: 1.741 HG2 :: 1.559 HG3 :: 1.527 HD2 :: 3.147 HD3 :: 3.147 HE :: 7.365 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 :: 121.517 NE :: 117.946 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.V14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.031 CA :: 62.639 CB :: 32.660 CG1 :: 20.824 CG2 :: 20.840 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 :: 7.981 HA :: 4.033 HB :: 1.979 HG11 :: 0.870 HG12 :: 0.870 HG13 :: 0.870 HG21 :: 0.873 HG22 :: 0.873 HG23 :: 0.873 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 :: 120.598 Ave N Shift Values>> N :: 121.02(4.96) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.604 CA :: 58.367 CB :: 38.939 CD1 :: 132.969 CD2 :: 132.969 CE1 :: 118.015 CE2 :: 118.015 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 :: 8.245 HA :: 4.496 HB2 :: 3.045 HB3 :: 2.881 HD1 :: 7.057 HD2 :: 7.057 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 :: 123.366 Ave N Shift Values>> N :: 120.79(4.69) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.25 K 0.09 I 0.05 C Shift Assignments>> C :: 176.031 CA :: 56.361 CB :: 30.791 CG :: 36.206 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 :: 8.148 HA :: 4.404 HB2 :: 2.007 HB3 :: 1.917 HG2 :: 2.224 HG3 :: 2.224 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 :: 121.997 Ave N Shift Values>> N :: 120.68(3.68) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.491 CA :: 58.357 CB :: 64.010 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.286 HA :: 4.475 HB2 :: 3.921 HB3 :: 3.834 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 :: 116.456 Ave N Shift Values>> N :: 116.3(3.95) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 177.060 CA :: 61.466 CB :: 38.668 CG1 :: 27.458 CG2 :: 17.599 CD1 :: 13.086 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 :: 8.384 HA :: 4.256 HB :: 1.865 HG12 :: 1.461 HG13 :: 1.205 HG21 :: 0.877 HG22 :: 0.877 HG23 :: 0.877 HD11 :: 0.823 HD12 :: 0.823 HD13 :: 0.823 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 :: 122.253 Ave N Shift Values>> N :: 121.6(4.72) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 R 0.06 F 0.01 C Shift Assignments>> C :: 173.565 CA :: 45.074 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.517 HA2 :: 3.945 HA3 :: 3.705 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.426 Ave N Shift Values>> N :: 109.91(4.29) 1.H20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 HN Overlap>> 1.T10 1.K63 1.T10 1.K63 C Shift Assignments>> C :: 174.270 CA :: 55.460 CB :: 29.592 CD2 :: 119.739 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 :: 8.186 HA :: 4.685 HB2 :: 3.018 HB3 :: 2.988 HD2 :: 6.990 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.963 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 176.303 CA :: 57.748 CB :: 38.919 CD1 :: 133.082 CD2 :: 133.082 CE1 :: 118.000 CE2 :: 118.000 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 :: 8.364 HA :: 4.577 HB2 :: 3.041 HB3 :: 2.747 HD1 :: 7.018 HD2 :: 7.018 HE1 :: 6.747 HE2 :: 6.747 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.637 Ave N Shift Values>> N :: 120.79(4.69) 1.G22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 174.754 CA :: 46.117 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.424 HA2 :: 3.884 HA3 :: 3.884 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.079 Ave N Shift Values>> N :: 109.91(4.29) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.362 CA :: 45.349 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.364 HA2 :: 4.014 HA3 :: 3.929 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.492 Ave N Shift Values>> N :: 109.91(4.29) 1.E24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.59 M 0.23 K 0.11 I 0.05 C Shift Assignments>> C :: 176.484 CA :: 56.381 CB :: 30.583 CG :: 36.108 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 :: 8.247 HA :: 4.438 HB2 :: 2.074 HB3 :: 1.964 HG2 :: 2.287 HG3 :: 2.287 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.993 Ave N Shift Values>> N :: 120.68(3.68) 1.T25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.863 CA :: 62.611 CB :: 69.336 CG2 :: 21.904 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 :: 8.490 HA :: 4.357 HB :: 4.174 HG21 :: 1.195 HG22 :: 1.195 HG23 :: 1.195 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 :: 116.837 Ave N Shift Values>> N :: 115.7(5.05) 1.V26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.97 I 0.02 C Shift Assignments>> C :: 175.235 CA :: 60.078 CB :: 34.148 CG1 :: 21.886 CG2 :: 19.290 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 :: 7.708 HA :: 4.814 HB :: 1.951 HG11 :: 0.656 HG12 :: 0.656 HG13 :: 0.656 HG21 :: 0.676 HG22 :: 0.676 HG23 :: 0.676 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 :: 118.523 Ave N Shift Values>> N :: 121.02(4.96) 1.K27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 K 0.45 G 0.03 M 0.02 C Shift Assignments>> C :: 173.999 CA :: 54.323 CB :: 36.603 CG :: 25.002 CD :: 29.541 CE :: 42.085 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 :: 9.161 HA :: 4.772 HB2 :: 1.617 HB3 :: 1.617 HG2 :: 1.417 HG3 :: 1.265 HD2 :: 1.642 HD3 :: 1.642 HE2 :: 2.904 HE3 :: 2.831 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.468 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.587 CA :: 60.317 CB :: 38.889 CG1 :: 28.459 CG2 :: 17.783 CD1 :: 13.720 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 :: 8.599 HA :: 5.133 HB :: 1.713 HG12 :: 1.503 HG13 :: 1.056 HG21 :: 0.728 HG22 :: 0.728 HG23 :: 0.728 HD11 :: 0.804 HD12 :: 0.804 HD13 :: 0.804 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 :: 125.018 Ave N Shift Values>> N :: 121.6(4.72) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.92 I 0.05 A 0.01 C Shift Assignments>> C :: 173.675 CA :: 59.673 CB :: 35.902 CG1 :: 21.952 CG2 :: 20.225 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 :: 9.058 HA :: 4.804 HB :: 2.004 HG11 :: 0.881 HG12 :: 0.881 HG13 :: 0.881 HG21 :: 0.825 HG22 :: 0.825 HG23 :: 0.825 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 123.290 Ave N Shift Values>> N :: 121.02(4.96) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 K 0.26 G 0.17 C Shift Assignments>> C :: 175.216 CA :: 54.655 CB :: 32.426 CG :: 27.922 CD :: 43.566 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 :: 8.454 HA :: 5.524 HB2 :: 1.618 HB3 :: 1.524 HG2 :: 1.523 HG3 :: 1.523 HD2 :: 3.086 HD3 :: 3.035 HE :: 7.164 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.327 NE :: 118.103 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.I31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.97 G 0.01 A 0.01 C Shift Assignments>> C :: 174.200 CA :: 59.130 CB :: 41.599 CG1 :: 27.597 CG2 :: 16.905 CD1 :: 13.517 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 :: 9.126 HA :: 4.419 HB :: 1.812 HG12 :: 1.343 HG13 :: 1.106 HG21 :: 0.742 HG22 :: 0.742 HG23 :: 0.742 HD11 :: 0.542 HD12 :: 0.542 HD13 :: 0.542 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 :: 122.031 Ave N Shift Values>> N :: 121.6(4.72) 1.E32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.55 M 0.21 K 0.18 I 0.03 C Shift Assignments>> C :: 175.494 CA :: 55.364 CB :: 30.160 CG :: 35.776 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 :: 8.674 HA :: 4.698 HB2 :: 1.895 HB3 :: 1.857 HG2 :: 2.160 HG3 :: 2.160 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 :: 126.242 Ave N Shift Values>> N :: 120.68(3.68) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.71 R 0.18 M 0.07 G 0.02 A 0.01 C Shift Assignments>> C :: 174.666 CA :: 55.160 CB :: 34.769 CG :: 23.999 CD :: 29.358 CE :: 42.108 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 :: 8.834 HA :: 4.495 HB2 :: 1.813 HB3 :: 1.436 HG2 :: 1.551 HG3 :: 1.345 HD2 :: 1.710 HD3 :: 1.483 HE2 :: 3.168 HE3 :: 3.168 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 :: 126.961 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.81 M 0.16 L 0.01 C Shift Assignments>> C :: 178.082 CA :: 52.007 CB :: 19.670 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.545 HA :: 4.521 HB1 :: 1.498 HB2 :: 1.498 HB3 :: 1.498 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 130.614 Ave N Shift Values>> N :: 123.23(3.7) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.73 K 0.13 G 0.11 L 0.01 C Shift Assignments>> C :: 176.517 CA :: 58.651 CB :: 30.287 CG :: 27.111 CD :: 43.288 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 :: 8.829 HA :: 3.896 HB2 :: 1.612 HB3 :: 1.525 HG2 :: 1.401 HG3 :: 1.373 HD2 :: 2.964 HD3 :: 2.964 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 :: 120.895 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.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 N 0.2 F 0.14 Y 0.14 L 0.13 K 0.03 I 0.01 C Shift Assignments>> C :: 175.002 CA :: 54.752 CB :: 39.934 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 :: 8.509 HA :: 4.457 HB2 :: 2.819 HB3 :: 2.710 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 :: 114.361 Ave N Shift Values>> N :: 120.73(4.2) 1.I37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 A 0.14 C Shift Assignments>> C :: 173.424 CA :: 56.843 CB :: 39.282 CG1 :: 26.777 CG2 :: 16.601 CD1 :: 11.854 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 :: 7.347 HA :: 4.725 HB :: 1.972 HG12 :: 1.498 HG13 :: 1.282 HG21 :: 1.041 HG22 :: 1.041 HG23 :: 1.041 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 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 :: 120.928 Ave N Shift Values>> N :: 121.6(4.72) 1.P38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.138 CA :: 62.078 CB :: 32.298 CG :: 27.367 CD :: 50.952 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 :: 4.557 HB2 :: 2.375 HB3 :: 1.908 HG2 :: 2.020 HG3 :: 2.020 HD2 :: 3.870 HD3 :: 3.766 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.L39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 R 0.21 K 0.01 G 0.01 C Shift Assignments>> C :: 177.384 CA :: 57.648 CB :: 41.935 CG :: 27.192 CD1 :: 26.331 CD2 :: 23.362 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 :: 9.156 HA :: 4.021 HB2 :: 1.983 HB3 :: 1.533 HG :: 1.559 HD11 :: 0.982 HD12 :: 0.982 HD13 :: 0.982 HD21 :: 0.873 HD22 :: 0.873 HD23 :: 0.873 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 :: 122.397 Ave N Shift Values>> N :: 121.98(4.07) 1.G40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.633 CA :: 46.791 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.669 HA2 :: 3.947 HA3 :: 3.842 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.112 Ave N Shift Values>> N :: 109.91(4.29) 1.A41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 L 0.02 C Shift Assignments>> C :: 175.087 CA :: 50.750 CB :: 20.420 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.694 HA :: 5.293 HB1 :: 0.993 HB2 :: 0.993 HB3 :: 0.993 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.981 Ave N Shift Values>> N :: 123.23(3.7) 1.T42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.505 CA :: 60.845 CB :: 70.221 CG2 :: 22.043 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 :: 8.773 HA :: 4.671 HB :: 4.205 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 :: 116.064 Ave N Shift Values>> N :: 115.7(5.05) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 A 0.17 I 0.13 C Shift Assignments>> C :: 173.980 CA :: 58.524 CB :: 35.397 CG1 :: 21.199 CG2 :: 17.946 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 :: 7.940 HA :: 5.434 HB :: 1.951 HG11 :: 0.587 HG12 :: 0.587 HG13 :: 0.587 HG21 :: 0.594 HG22 :: 0.594 HG23 :: 0.594 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 114.213 Ave N Shift Values>> N :: 121.02(4.96) 1.R44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 K 0.32 G 0.18 C Shift Assignments>> C :: 173.811 CA :: 54.058 CB :: 33.633 CG :: 27.037 CD :: 43.233 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.164 HA :: 4.814 HB2 :: 1.881 HB3 :: 1.659 HG2 :: 1.436 HG3 :: 1.209 HD2 :: 3.168 HD3 :: 3.058 HE :: 7.690 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 117.509 NE :: 118.000 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.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 L 0.23 K 0.12 N 0.12 F 0.06 Y 0.05 R 0.04 C Shift Assignments>> C :: 175.532 CA :: 53.359 CB :: 41.478 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 :: 8.913 HA :: 5.713 HB2 :: 2.960 HB3 :: 2.521 HD21 :: 6.935 HD22 :: 7.302 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 :: 118.767 ND2 :: 109.530 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 M 0.3 K 0.11 I 0.02 C Shift Assignments>> C :: 175.618 CA :: 55.740 CB :: 30.820 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 :: 8.407 HA :: 4.454 HB2 :: 1.869 HB3 :: 1.672 HG2 :: 2.179 HG3 :: 2.078 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 :: 123.935 Ave N Shift Values>> N :: 120.68(3.68) 1.M47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.87 A 0.08 I 0.04 C Shift Assignments>> C :: 175.565 CA :: 57.636 CB :: 29.369 CG :: 32.527 CE :: 16.856 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 :: 9.222 HA :: 3.919 HB2 :: 2.453 HB3 :: 2.191 HG2 :: 2.697 HG3 :: 2.569 HE1 :: 2.108 HE2 :: 2.108 HE3 :: 2.108 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 :: 124.204 Ave N Shift Values>> N :: 120.1(3.88) 1.D48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.17 F 0.16 Y 0.15 K 0.1 N 0.09 I 0.01 R 0.01 C Shift Assignments>> C :: 175.818 CA :: 55.500 CB :: 40.527 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 :: 8.541 HA :: 4.610 HB2 :: 2.744 HB3 :: 2.744 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 :: 120.098 Ave N Shift Values>> N :: 120.73(4.2) 1.S49 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 :: 173.437 CA :: 59.776 CB :: 64.965 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.077 HA :: 4.630 HB2 :: 3.911 HB3 :: 3.602 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 :: 115.676 Ave N Shift Values>> N :: 116.3(3.95) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.903 CA :: 62.674 CB :: 32.157 CG1 :: 21.767 CG2 :: 21.230 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 :: 9.875 HA :: 4.372 HB :: 2.115 HG11 :: 0.860 HG12 :: 0.860 HG13 :: 0.860 HG21 :: 0.684 HG22 :: 0.684 HG23 :: 0.684 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 127.547 Ave N Shift Values>> N :: 121.02(4.96) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.84 A 0.14 C Shift Assignments>> C :: 176.710 CA :: 57.442 CB :: 41.201 CG1 :: 27.250 CG2 :: 17.303 CD1 :: 11.692 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 :: 8.861 HA :: 4.990 HB :: 1.540 HG12 :: 1.240 HG13 :: 1.087 HG21 :: 0.731 HG22 :: 0.731 HG23 :: 0.731 HD11 :: 0.685 HD12 :: 0.685 HD13 :: 0.685 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 :: 126.083 Ave N Shift Values>> N :: 121.6(4.72) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.681 CA :: 61.610 CB :: 35.781 CG1 :: 27.097 CG2 :: 17.507 CD1 :: 11.559 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 :: 8.861 HA :: 4.164 HB :: 2.235 HG12 :: 1.491 HG13 :: 1.070 HG21 :: 0.617 HG22 :: 0.617 HG23 :: 0.617 HD11 :: 0.546 HD12 :: 0.546 HD13 :: 0.546 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 :: 123.621 Ave N Shift Values>> N :: 121.6(4.72) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.109 CA :: 58.021 CB :: 64.484 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.371 HA :: 4.559 HB2 :: 3.735 HB3 :: 3.538 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 :: 126.633 Ave N Shift Values>> N :: 116.3(3.95) 1.R54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.35 G 0.12 C Shift Assignments>> C :: 174.103 CA :: 55.650 CB :: 33.425 CG :: 27.144 CD :: 43.255 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 :: 7.329 HA :: 4.563 HB2 :: 1.733 HB3 :: 1.678 HG2 :: 1.519 HG3 :: 1.357 HD2 :: 3.160 HD3 :: 3.160 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 :: 119.148 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.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.95 A 0.04 C Shift Assignments>> C :: 175.831 CA :: 58.305 CB :: 36.510 CG1 :: 26.209 CG2 :: 17.112 CD1 :: 11.378 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 :: 8.967 HA :: 4.500 HB :: 1.995 HG12 :: 1.366 HG13 :: 1.162 HG21 :: 0.756 HG22 :: 0.756 HG23 :: 0.756 HD11 :: 0.430 HD12 :: 0.430 HD13 :: 0.430 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 :: 125.736 Ave N Shift Values>> N :: 121.6(4.72) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.510 CA :: 62.584 CB :: 32.748 CG1 :: 20.688 CG2 :: 20.696 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 :: 8.173 HA :: 3.848 HB :: 1.781 HG11 :: 0.937 HG12 :: 0.937 HG13 :: 0.937 HG21 :: 0.797 HG22 :: 0.797 HG23 :: 0.797 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.012 Ave N Shift Values>> N :: 121.02(4.96) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 R 0.36 M 0.04 G 0.01 C Shift Assignments>> C :: 177.901 CA :: 58.177 CB :: 31.893 CG :: 24.681 CD :: 28.986 CE :: 42.111 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 :: 8.826 HA :: 4.082 HB2 :: 1.817 HB3 :: 1.761 HG2 :: 1.545 HG3 :: 1.418 HD2 :: 1.706 HD3 :: 1.706 HE2 :: 3.018 HE3 :: 3.018 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 :: 130.338 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 174.815 CA :: 45.329 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.553 HA2 :: 4.245 HA3 :: 3.674 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.807 Ave N Shift Values>> N :: 109.91(4.29) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.21 R 0.16 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.689 CA :: 44.580 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.453 HA2 :: 4.390 HA3 :: 3.856 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.792 Ave N Shift Values>> N :: 109.91(4.29) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.44 I 0.02 C Shift Assignments>> C :: 181.098 CA :: 54.904 CB :: 18.628 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.771 HA :: 4.078 HB1 :: 1.501 HB2 :: 1.501 HB3 :: 1.501 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.061 Ave N Shift Values>> N :: 123.23(3.7) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.59 A 0.33 I 0.04 V 0.01 HN Overlap>> 1.I105 1.I105 C Shift Assignments>> C :: 180.658 CA :: 55.456 CB :: 18.301 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.962 HA :: 3.838 HB1 :: 1.219 HB2 :: 1.219 HB3 :: 1.219 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.885 Ave N Shift Values>> N :: 123.23(3.7) 1.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.45 E 0.43 K 0.08 M 0.01 C Shift Assignments>> C :: 178.575 CA :: 60.086 CB :: 29.155 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 :: 9.515 HA :: 3.750 HB2 :: 2.259 HB3 :: 2.005 HG2 :: 2.262 HG3 :: 2.125 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 :: 124.836 Ave N Shift Values>> N :: 120.68(3.68) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.31 M 0.02 G 0.01 HN Overlap>> 1.T10 1.T10 1.H20 1.H20 C Shift Assignments>> C :: 178.620 CA :: 58.969 CB :: 32.328 CG :: 25.237 CD :: 29.055 CE :: 42.038 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 :: 8.158 HA :: 3.922 HB2 :: 1.844 HB3 :: 1.844 HG2 :: 1.546 HG3 :: 1.458 HD2 :: 1.625 HD3 :: 1.625 HE2 :: 2.954 HE3 :: 2.954 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 :: 118.053 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S64 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 :: 175.727 CA :: 60.600 CB :: 64.431 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.746 HA :: 4.220 HB2 :: 4.111 HB3 :: 3.969 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.494 Ave N Shift Values>> N :: 116.3(3.95) 1.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> C :: 174.976 CA :: 46.544 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.373 HA2 :: 4.106 HA3 :: 3.979 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.608 Ave N Shift Values>> N :: 109.91(4.29) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 G 0.31 A 0.07 R 0.07 C Shift Assignments>> C :: 175.624 CA :: 55.168 CB :: 44.254 CG :: 26.555 CD1 :: 26.074 CD2 :: 22.341 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 :: 7.742 HA :: 4.412 HB2 :: 1.500 HB3 :: 1.272 HG :: 0.982 HD11 :: 1.616 HD12 :: 1.616 HD13 :: 1.616 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 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 :: 116.773 Ave N Shift Values>> N :: 121.98(4.07) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.36 A 0.02 C Shift Assignments>> C :: 174.264 CA :: 53.170 CB :: 45.811 CG :: 26.563 CD1 :: 24.775 CD2 :: 23.819 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 :: 6.885 HA :: 4.345 HB2 :: 1.019 HB3 :: 0.917 HG :: 1.076 HD11 :: 0.201 HD12 :: 0.201 HD13 :: 0.201 HD21 :: 0.166 HD22 :: 0.166 HD23 :: 0.166 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.253 Ave N Shift Values>> N :: 121.98(4.07) 1.H68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 173.411 CA :: 54.576 CB :: 31.651 CD2 :: 120.234 CE1 :: 135.471 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 :: 8.876 HA :: 4.712 HB2 :: 3.191 HB3 :: 2.980 HD2 :: 7.304 HE1 :: 8.364 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 :: 119.744 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.38 K 0.09 M 0.01 C Shift Assignments>> C :: 177.079 CA :: 58.495 CB :: 28.711 CG :: 37.018 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 :: 9.023 HA :: 3.580 HB2 :: 1.864 HB3 :: 1.864 HG2 :: 2.266 HG3 :: 2.091 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 :: 121.746 Ave N Shift Values>> N :: 120.68(3.68) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.569 CA :: 44.824 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.239 HA2 :: 4.495 HA3 :: 3.423 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.562 Ave N Shift Values>> N :: 109.91(4.29) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.22 K 0.21 D 0.19 F 0.13 Y 0.1 R 0.06 N 0.03 I 0.01 C Shift Assignments>> C :: 174.673 CA :: 55.778 CB :: 41.397 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 :: 8.051 HA :: 4.553 HB2 :: 2.800 HB3 :: 2.285 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 :: 123.283 Ave N Shift Values>> N :: 120.73(4.2) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.53 M 0.31 K 0.12 I 0.01 C Shift Assignments>> C :: 175.824 CA :: 54.388 CB :: 30.621 CG :: 35.916 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 :: 8.639 HA :: 5.035 HB2 :: 2.015 HB3 :: 1.870 HG2 :: 2.510 HG3 :: 1.900 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 :: 122.845 Ave N Shift Values>> N :: 120.68(3.68) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.543 CA :: 62.260 CB :: 32.350 CG1 :: 22.945 CG2 :: 20.659 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.952 HA :: 4.124 HB :: 1.929 HG11 :: 0.866 HG12 :: 0.866 HG13 :: 0.866 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 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 :: 126.611 Ave N Shift Values>> N :: 121.02(4.96) 1.L74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 R 0.17 G 0.09 A 0.02 C Shift Assignments>> C :: 178.561 CA :: 56.020 CB :: 43.192 CG :: 27.319 CD1 :: 25.098 CD2 :: 22.876 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 :: 9.141 HA :: 4.538 HB2 :: 1.329 HB3 :: 1.329 HG :: 1.433 HD11 :: 0.528 HD12 :: 0.528 HD13 :: 0.528 HD21 :: 0.669 HD22 :: 0.669 HD23 :: 0.669 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 125.804 Ave N Shift Values>> N :: 121.98(4.07) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 E 0.32 C Shift Assignments>> C :: 174.575 CA :: 55.040 CB :: 34.910 CG :: 36.415 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 :: 7.668 HA :: 5.263 HB2 :: 1.856 HB3 :: 1.715 HG2 :: 1.958 HG3 :: 1.958 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 117.996 Ave N Shift Values>> N :: 120.68(3.68) 1.I76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 G 0.01 C Shift Assignments>> C :: 175.177 CA :: 59.977 CB :: 41.613 CG1 :: 26.873 CG2 :: 17.158 CD1 :: 14.315 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 :: 8.120 HA :: 4.597 HB :: 1.188 HG12 :: 1.093 HG13 :: 0.231 HG21 :: 0.224 HG22 :: 0.224 HG23 :: 0.224 HD11 :: 0.451 HD12 :: 0.451 HD13 :: 0.451 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 :: 120.739 Ave N Shift Values>> N :: 121.6(4.72) 1.N77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.33 E 0.22 M 0.17 Y 0.1 K 0.06 F 0.04 D 0.02 C Shift Assignments>> C :: 174.925 CA :: 53.837 CB :: 36.225 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 :: 9.286 HA :: 4.295 HB2 :: 3.197 HB3 :: 2.673 HD21 :: 6.538 HD22 :: 7.481 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 :: 126.334 ND2 :: 108.906 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 173.553 CA :: 45.550 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.615 HA2 :: 4.008 HA3 :: 3.654 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.703 Ave N Shift Values>> N :: 109.91(4.29) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.637 CA :: 60.076 CB :: 38.115 CG1 :: 27.085 CG2 :: 17.044 CD1 :: 12.865 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 :: 8.137 HA :: 4.036 HB :: 2.059 HG12 :: 1.478 HG13 :: 1.055 HG21 :: 0.770 HG22 :: 0.770 HG23 :: 0.770 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 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 :: 123.198 Ave N Shift Values>> N :: 121.6(4.72) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 I 0.18 K 0.09 M 0.09 C Shift Assignments>> C :: 176.264 CA :: 57.736 CB :: 30.065 CG :: 36.719 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 :: 8.684 HA :: 4.277 HB2 :: 2.183 HB3 :: 2.045 HG2 :: 2.414 HG3 :: 2.414 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 :: 127.929 Ave N Shift Values>> N :: 120.68(3.68) 1.I81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 C Shift Assignments>> C :: 174.886 CA :: 59.328 CB :: 37.672 CG1 :: 26.851 CG2 :: 18.466 CD1 :: 10.795 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 :: 8.177 HA :: 4.102 HB :: 1.765 HG12 :: 1.443 HG13 :: 1.044 HG21 :: 0.776 HG22 :: 0.776 HG23 :: 0.776 HD11 :: 0.550 HD12 :: 0.550 HD13 :: 0.550 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 :: 123.673 Ave N Shift Values>> N :: 121.6(4.72) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 G 0.24 K 0.07 C Shift Assignments>> C :: 177.953 CA :: 58.866 CB :: 30.583 CG :: 27.509 CD :: 43.913 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 :: 7.488 HA :: 4.342 HB2 :: 1.933 HB3 :: 1.830 HG2 :: 1.816 HG3 :: 1.683 HD2 :: 3.163 HD3 :: 3.163 HE :: 7.252 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 :: 120.488 NE :: 117.679 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.G83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.1 R 0.04 C Shift Assignments>> C :: 174.666 CA :: 45.289 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.961 HA2 :: 4.277 HA3 :: 3.629 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.013 Ave N Shift Values>> N :: 109.91(4.29) 1.K84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.44 M 0.01 G 0.01 C Shift Assignments>> C :: 175.721 CA :: 55.901 CB :: 34.135 CG :: 26.070 CD :: 29.293 CE :: 42.247 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 :: 8.035 HA :: 4.402 HB2 :: 1.875 HB3 :: 1.610 HG2 :: 1.344 HG3 :: 1.344 HD2 :: 1.522 HD3 :: 1.471 HE2 :: 3.020 HE3 :: 2.903 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 :: 120.496 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 D 0.21 R 0.19 K 0.08 G 0.06 F 0.04 N 0.03 Y 0.02 C Shift Assignments>> C :: 178.296 CA :: 53.216 CB :: 42.952 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.723 HA :: 4.801 HB2 :: 2.854 HB3 :: 2.710 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 :: 121.156 Ave N Shift Values>> N :: 120.73(4.2) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.957 CA :: 66.072 CB :: 31.438 CG1 :: 22.178 CG2 :: 20.099 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 :: 8.253 HA :: 3.515 HB :: 2.020 HG11 :: 0.876 HG12 :: 0.876 HG13 :: 0.876 HG21 :: 0.968 HG22 :: 0.968 HG23 :: 0.968 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 :: 119.647 Ave N Shift Values>> N :: 121.02(4.96) 1.N87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.31 F 0.21 E 0.19 I 0.09 N 0.07 D 0.05 M 0.03 L 0.01 K 0.01 C Shift Assignments>> C :: 177.707 CA :: 56.850 CB :: 37.841 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 :: 8.683 HA :: 4.529 HB2 :: 2.897 HB3 :: 2.837 HD21 :: 6.981 HD22 :: 7.942 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 :: 119.774 ND2 :: 114.561 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.56 I 0.31 K 0.06 M 0.05 C Shift Assignments>> C :: 179.481 CA :: 58.993 CB :: 29.943 CG :: 36.831 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 :: 7.793 HA :: 4.223 HB2 :: 2.320 HB3 :: 2.096 HG2 :: 2.482 HG3 :: 2.241 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 :: 120.087 Ave N Shift Values>> N :: 120.68(3.68) 1.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.048 CA :: 66.816 CB :: 31.254 CG1 :: 23.907 CG2 :: 21.279 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 :: 7.863 HA :: 3.453 HB :: 2.070 HG11 :: 0.940 HG12 :: 0.940 HG13 :: 0.940 HG21 :: 0.772 HG22 :: 0.772 HG23 :: 0.772 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 :: 119.405 Ave N Shift Values>> N :: 121.02(4.96) 1.F90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 178.923 CA :: 61.857 CB :: 38.496 CD1 :: 131.520 CD2 :: 131.520 CE1 :: 131.313 CE2 :: 131.313 CZ :: 129.366 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 :: 8.441 HA :: 4.178 HB2 :: 3.297 HB3 :: 3.233 HD1 :: 7.362 HD2 :: 7.362 HE1 :: 7.400 HE2 :: 7.400 HZ :: 7.338 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 :: 119.159 Ave N Shift Values>> N :: 120.69(4.18) 1.D91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.28 L 0.1 D 0.09 I 0.08 K 0.08 N 0.01 R 0.01 C Shift Assignments>> C :: 178.898 CA :: 57.681 CB :: 40.229 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 :: 7.987 HA :: 4.404 HB2 :: 2.830 HB3 :: 2.731 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 :: 120.256 Ave N Shift Values>> N :: 120.73(4.2) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.08 G 0.02 C Shift Assignments>> C :: 179.234 CA :: 58.046 CB :: 42.099 CG :: 26.520 CD1 :: 25.164 CD2 :: 24.403 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 :: 7.977 HA :: 4.128 HB2 :: 1.895 HB3 :: 1.570 HG :: 1.836 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 HD21 :: 0.829 HD22 :: 0.829 HD23 :: 0.829 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.583 Ave N Shift Values>> N :: 121.98(4.07) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.79 R 0.16 G 0.03 C Shift Assignments>> C :: 179.319 CA :: 56.973 CB :: 42.483 CG :: 27.025 CD1 :: 25.375 CD2 :: 23.737 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 :: 8.143 HA :: 4.062 HB2 :: 1.864 HB3 :: 1.468 HG :: 1.750 HD11 :: 0.767 HD12 :: 0.767 HD13 :: 0.767 HD21 :: 0.824 HD22 :: 0.824 HD23 :: 0.824 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.013 Ave N Shift Values>> N :: 121.98(4.07) 1.S94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.009 CA :: 61.303 CB :: 63.292 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.756 HA :: 4.146 HB2 :: 3.951 HB3 :: 3.908 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 :: 113.570 Ave N Shift Values>> N :: 116.3(3.95) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 D 0.23 K 0.16 R 0.13 F 0.06 Y 0.04 N 0.04 G 0.01 C Shift Assignments>> C :: 175.889 CA :: 54.150 CB :: 42.224 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 :: 7.485 HA :: 4.877 HB2 :: 2.794 HB3 :: 2.603 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 :: 119.168 Ave N Shift Values>> N :: 120.73(4.2) 1.M96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.8 A 0.19 C Shift Assignments>> C :: 174.822 CA :: 56.407 CB :: 33.976 CG :: 32.858 CE :: 17.669 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 :: 7.407 HA :: 4.396 HB2 :: 1.931 HB3 :: 1.797 HG2 :: 2.769 HG3 :: 2.424 HE1 :: 1.890 HE2 :: 1.890 HE3 :: 1.890 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 :: 119.266 Ave N Shift Values>> N :: 120.1(3.88) 1.H97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 173.707 CA :: 54.779 CB :: 31.904 CD2 :: 120.574 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 :: 8.266 HA :: 4.760 HB2 :: 3.171 HB3 :: 3.059 HD2 :: 7.146 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 117.541 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.67 L 0.17 R 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.281 CA :: 44.836 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.807 HA2 :: 4.241 HA3 :: 3.714 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.467 Ave N Shift Values>> N :: 109.91(4.29) 1.T99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.373 CA :: 63.416 CB :: 68.933 CG2 :: 22.214 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 :: 8.502 HA :: 4.400 HB :: 3.890 HG21 :: 1.027 HG22 :: 1.027 HG23 :: 1.027 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.956 Ave N Shift Values>> N :: 115.7(5.05) 1.L100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 G 0.26 R 0.2 C Shift Assignments>> C :: 175.507 CA :: 53.952 CB :: 43.992 CG :: 27.944 CD1 :: 25.976 CD2 :: 24.959 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 :: 9.394 HA :: 4.810 HB2 :: 1.854 HB3 :: 1.063 HG :: 1.711 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 HD21 :: 0.599 HD22 :: 0.599 HD23 :: 0.599 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 :: 131.605 Ave N Shift Values>> N :: 121.98(4.07) 1.T101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.277 CA :: 62.235 CB :: 69.190 CG2 :: 21.629 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 :: 8.951 HA :: 4.932 HB :: 3.953 HG21 :: 0.946 HG22 :: 0.946 HG23 :: 0.946 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.015 Ave N Shift Values>> N :: 115.7(5.05) 1.F102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.96 G 0.02 C Shift Assignments>> C :: 174.524 CA :: 56.549 CB :: 42.176 CD1 :: 131.450 CD2 :: 131.450 CE1 :: 130.312 CE2 :: 130.312 CZ :: 128.221 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 :: 9.714 HA :: 5.064 HB2 :: 3.110 HB3 :: 2.618 HD1 :: 7.093 HD2 :: 7.093 HE1 :: 6.932 HE2 :: 6.932 HZ :: 6.905 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 :: 127.265 Ave N Shift Values>> N :: 120.69(4.18) 1.V103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.462 CA :: 62.211 CB :: 32.288 CG1 :: 21.557 CG2 :: 20.793 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 :: 8.501 HA :: 4.667 HB :: 1.838 HG11 :: 0.711 HG12 :: 0.711 HG13 :: 0.711 HG21 :: 0.850 HG22 :: 0.850 HG23 :: 0.850 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 :: 121.507 Ave N Shift Values>> N :: 121.02(4.96) 1.L104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.26 C Shift Assignments>> C :: 176.775 CA :: 53.178 CB :: 47.290 CG :: 26.361 CD1 :: 26.134 CD2 :: 26.333 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 :: 9.432 HA :: 5.709 HB2 :: 1.635 HB3 :: 1.329 HG :: 1.662 HD11 :: 0.810 HD12 :: 0.810 HD13 :: 0.810 HD21 :: 0.783 HD22 :: 0.783 HD23 :: 0.783 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.413 Ave N Shift Values>> N :: 121.98(4.07) 1.I105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.98 A 0.01 HN Overlap>> 1.A61 1.A61 C Shift Assignments>> C :: 175.460 CA :: 58.892 CB :: 39.434 CG1 :: 27.456 CG2 :: 17.187 CD1 :: 13.499 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 :: 8.926 HA :: 4.850 HB :: 1.886 HG12 :: 1.503 HG13 :: 1.036 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 HD11 :: 0.805 HD12 :: 0.805 HD13 :: 0.805 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 :: 119.882 Ave N Shift Values>> N :: 121.6(4.72) 1.P106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.602 CA :: 62.317 CB :: 32.558 CG :: 27.476 CD :: 51.673 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.479 HB2 :: 2.176 HB3 :: 1.976 HG2 :: 2.070 HG3 :: 1.766 HD2 :: 3.908 HD3 :: 3.701 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.S107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.752 CA :: 58.480 CB :: 63.690 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.122 HA :: 4.270 HB2 :: 3.891 HB3 :: 3.703 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 :: 116.745 Ave N Shift Values>> N :: 116.3(3.95) 1.S108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.588 CA :: 58.425 CB :: 63.890 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.567 HA :: 4.489 HB2 :: 3.896 HB3 :: 3.846 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 :: 119.408 Ave N Shift Values>> N :: 116.3(3.95) 1.G109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.59 L 0.2 R 0.14 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.657 CA :: 44.663 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.196 HA2 :: 4.090 HA3 :: 4.090 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.489 Ave N Shift Values>> N :: 109.91(4.29) 1.P110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.360 CA :: 63.102 CB :: 32.235 CG :: 27.147 CD :: 49.752 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 :: 4.452 HB2 :: 2.255 HB3 :: 1.946 HG2 :: 1.993 HG3 :: 1.993 HD2 :: 3.595 HD3 :: 3.595 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.S111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.685 CA :: 58.362 CB :: 63.824 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.502 HA :: 4.479 HB2 :: 3.884 HB3 :: 3.884 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 :: 116.444 Ave N Shift Values>> N :: 116.3(3.95) 1.S112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.935 CA :: 58.389 CB :: 63.904 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.329 HA :: 4.471 HB2 :: 3.876 HB3 :: 3.876 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.873 Ave N Shift Values>> N :: 116.3(3.95) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 178.981 CA :: 46.193 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.038 HA2 :: 3.762 HA3 :: 3.762 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.824 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 113 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 112 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 113 #Suspicious: 0 C Shift Results: #Consistent: 478 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 766 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 114 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0