Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.69 A 0.29 C Shift Assignments>> C :: 171.382 CA :: 55.325 CB :: 33.398 CG :: 30.889 CE :: 17.319 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>> HA :: 4.091 HB2 :: 2.189 HB3 :: 2.076 HG2 :: 2.524 HG3 :: 2.426 HE1 :: 2.041 HE2 :: 2.041 HE3 :: 2.041 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) 1.D2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.32 L 0.21 K 0.13 N 0.12 F 0.08 Y 0.07 R 0.03 C Shift Assignments>> C :: 174.695 CA :: 53.964 CB :: 41.194 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 :: 8.938 HA :: 4.796 HB2 :: 2.691 HB3 :: 2.583 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 :: 125.763 Ave N Shift Values>> N :: 120.73(4.2) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.392 CA :: 62.100 CB :: 32.566 CG1 :: 21.373 CG2 :: 21.617 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 :: 8.139 HA :: 3.957 HB :: 1.673 HG11 :: 0.381 HG12 :: 0.381 HG13 :: 0.381 HG21 :: 0.483 HG22 :: 0.483 HG23 :: 0.483 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 :: 122.592 Ave N Shift Values>> N :: 121.02(4.96) 1.E4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.63 E 0.22 Q 0.1 K 0.02 HN Overlap>> 1.R60 1.R60 C Shift Assignments>> C :: 173.392 CA :: 52.551 CB :: 31.915 CG :: 35.406 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 :: 8.578 HA :: 4.896 HB2 :: 2.074 HB3 :: 1.837 HG2 :: 2.281 HG3 :: 2.282 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 :: 126.197 Ave N Shift Values>> N :: 120.68(3.68) 1.P5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.132 CA :: 63.325 CB :: 31.845 CG :: 28.233 CD :: 51.222 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 :: 4.033 HB2 :: 2.140 HB3 :: 1.976 HG2 :: 2.303 HG3 :: 1.804 HD2 :: 3.801 HD3 :: 3.797 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.G6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 174.356 CA :: 44.944 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.294 HA2 :: 4.343 HA3 :: 3.517 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.714 Ave N Shift Values>> N :: 109.91(4.29) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.48 K 0.47 G 0.02 M 0.01 C Shift Assignments>> C :: 174.382 CA :: 55.839 CB :: 33.343 CG :: 26.529 CD :: 29.090 CE :: 42.462 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 :: 7.590 HA :: 4.476 HB2 :: 1.637 HB3 :: 2.234 HG2 :: 1.242 HG3 :: 1.482 HD2 :: 1.668 HD3 :: 1.668 HE2 :: 2.976 HE3 :: 2.976 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 :: 121.067 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.594 CA :: 57.135 CB :: 40.951 CD1 :: 131.608 CD2 :: 131.608 CE1 :: 131.614 CE2 :: 131.614 CZ :: 129.711 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 :: 8.175 HA :: 5.250 HB2 :: 2.757 HB3 :: 2.546 HD1 :: 7.103 HD2 :: 7.103 HE1 :: 7.281 HE2 :: 7.281 HZ :: 7.089 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 :: 117.991 Ave N Shift Values>> N :: 120.69(4.18) 1.Y9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.82 Y 0.17 HN Overlap>> 1.E62 1.E62 C Shift Assignments>> C :: 173.336 CA :: 57.652 CB :: 44.954 CD1 :: 133.407 CD2 :: 133.407 CE1 :: 118.801 CE2 :: 118.827 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.447 HA :: 4.659 HB2 :: 3.091 HB3 :: 2.263 HD1 :: 7.108 HD2 :: 7.108 HE1 :: 6.862 HE2 :: 6.862 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 118.855 Ave N Shift Values>> N :: 120.79(4.69) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.65 R 0.27 M 0.05 G 0.01 C Shift Assignments>> C :: 175.744 CA :: 55.919 CB :: 32.997 CG :: 24.984 CD :: 29.171 CE :: 42.008 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 :: 8.662 HA :: 4.838 HB2 :: 1.868 HB3 :: 1.616 HG2 :: 1.342 HG3 :: 1.340 HD2 :: 1.656 HD3 :: 1.659 HE2 :: 2.923 HE3 :: 2.923 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 :: 121.858 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.51 L 0.23 R 0.18 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.179 CA :: 44.498 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.089 HA2 :: 4.878 HA3 :: 3.200 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.808 Ave N Shift Values>> N :: 109.91(4.29) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 I 0.02 A 0.01 C Shift Assignments>> C :: 175.777 CA :: 59.578 CB :: 35.727 CG1 :: 20.483 CG2 :: 21.539 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 :: 5.094 HB :: 1.813 HG11 :: 0.805 HG12 :: 0.805 HG13 :: 0.805 HG21 :: 0.883 HG22 :: 0.883 HG23 :: 0.883 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 :: 117.661 Ave N Shift Values>> N :: 121.02(4.96) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.096 CA :: 62.981 CB :: 31.666 CG1 :: 22.360 CG2 :: 21.573 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 :: 8.942 HA :: 4.302 HB :: 2.423 HG11 :: 0.798 HG12 :: 0.798 HG13 :: 0.798 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 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 :: 126.834 Ave N Shift Values>> N :: 121.02(4.96) 1.T14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.276 CA :: 62.231 CB :: 70.327 CG2 :: 22.639 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 9.319 HA :: 4.617 HB :: 4.247 HG21 :: 1.253 HG22 :: 1.253 HG23 :: 1.253 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 :: 120.710 Ave N Shift Values>> N :: 115.7(5.05) 1.R15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.52 K 0.29 G 0.18 C Shift Assignments>> C :: 173.353 CA :: 57.073 CB :: 33.483 CG :: 27.359 CD :: 43.553 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 :: 7.643 HA :: 4.407 HB2 :: 2.110 HB3 :: 1.659 HG2 :: 1.431 HG3 :: 1.430 HD2 :: 3.081 HD3 :: 2.681 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 :: 121.552 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.I16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.423 CA :: 62.180 CB :: 39.824 CG1 :: 28.291 CG2 :: 18.218 CD1 :: 14.228 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 :: 9.195 HA :: 4.354 HB :: 1.633 HG12 :: 1.340 HG13 :: 0.702 HG21 :: 0.778 HG22 :: 0.778 HG23 :: 0.778 HD11 :: 0.691 HD12 :: 0.691 HD13 :: 0.691 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 :: 127.746 Ave N Shift Values>> N :: 121.6(4.72) 1.E17 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.61 Q 0.17 E 0.16 K 0.03 C Shift Assignments>> C :: 177.172 CA :: 53.340 CB :: 31.985 CG :: 34.697 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 :: 8.468 HA :: 4.743 HB2 :: 1.710 HB3 :: 0.832(S) HG2 :: 2.402 HG3 :: 2.051 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.854 Ave N Shift Values>> N :: 120.68(3.68) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.29 G 0.01 C Shift Assignments>> C :: 176.820 CA :: 58.950 CB :: 32.448 CG :: 25.140 CE :: 42.152 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 :: 9.244 HA :: 3.997 HB2 :: 1.873 HB3 :: 1.870 HG2 :: 1.567 HG3 :: 1.530 HD2 :: 1.749 HD3 :: 1.749 HE2 :: 3.061 HE3 :: 3.061 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 :: 119.022 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.207 CA :: 54.507 CB :: 37.981 CD1 :: 133.490 CD2 :: 133.490 CE1 :: 119.034 CE2 :: 119.001 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 :: 6.368 HA :: 4.717 HB2 :: 3.394 HB3 :: 2.866 HD1 :: 6.977 HD2 :: 6.977 HE1 :: 6.862 HE2 :: 6.860 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 :: 106.561 Ave N Shift Values>> N :: 120.79(4.69) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 168.697 CA :: 46.014 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.015 HA2 :: 4.231 HA3 :: 3.855 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.408 Ave N Shift Values>> N :: 109.91(4.29) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.07 G 0.06 L 0.05 C Shift Assignments>> C :: 175.944 CA :: 49.269 CB :: 21.362 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.754 HA :: 5.120 HB1 :: 1.181 HB2 :: 1.181 HB3 :: 1.181 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.763 Ave N Shift Values>> N :: 123.23(3.7) 1.F22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.99 C Shift Assignments>> C :: 175.250 CA :: 57.870 CB :: 39.805 CD1 :: 131.231 CD2 :: 131.231 CE1 :: 131.327 CE2 :: 131.334 CZ :: 130.227 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 :: 9.352 HA :: 5.243 HB2 :: 3.043 HB3 :: 2.805 HD1 :: 7.003 HD2 :: 7.003 HE1 :: 7.320 HE2 :: 7.317 HZ :: 7.504 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 122.315 Ave N Shift Values>> N :: 120.69(4.18) 1.I23 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 :: 175.282 CA :: 58.180 CB :: 40.581 CG1 :: 28.261 CG2 :: 17.189 CD1 :: 14.668 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 :: 9.104 HA :: 4.875 HB :: 1.712 HG12 :: 1.223 HG13 :: 1.196 HG21 :: 0.334 HG22 :: 0.334 HG23 :: 0.334 HD11 :: 0.633 HD12 :: 0.633 HD13 :: 0.633 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 :: 123.829 Ave N Shift Values>> N :: 121.6(4.72) 1.N24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.49 D 0.29 L 0.06 Y 0.06 F 0.06 C Shift Assignments>> C :: 176.338 CA :: 52.435 CB :: 39.511 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 :: 9.321 HA :: 5.571 HB2 :: 2.789 HB3 :: 2.440 HD21 :: 7.613 HD22 :: 6.925 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 :: 126.026 ND2 :: 112.825 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.78 R 0.11 A 0.08 C Shift Assignments>> C :: 177.186 CA :: 55.927 CB :: 41.201 CG :: 27.558 CD1 :: 25.563 CD2 :: 22.122 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 :: 9.053 HA :: 4.613 HB2 :: 1.685 HB3 :: 1.542 HG :: 1.558 HD11 :: 0.563 HD12 :: 0.563 HD13 :: 0.563 HD21 :: 0.503 HD22 :: 0.503 HD23 :: 0.503 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 :: 122.946 Ave N Shift Values>> N :: 121.98(4.07) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.66 D 0.08 Y 0.08 E 0.05 F 0.04 M 0.03 L 0.01 C Shift Assignments>> C :: 175.020 CA :: 52.554 CB :: 37.405 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 :: 8.226 HA :: 4.529 HB2 :: 3.365 HB3 :: 3.267 HD21 :: 7.748 HD22 :: 6.827 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 :: 113.810 ND2 :: 112.293 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.37 K 0.11 Q 0.04 M 0.01 C Shift Assignments>> C :: 176.739 CA :: 59.996 CB :: 29.078 CG :: 36.117 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 :: 9.025 HA :: 4.060 HB2 :: 2.080 HB3 :: 2.076 HG2 :: 2.393 HG3 :: 2.360 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.315 Ave N Shift Values>> N :: 120.68(3.68) 1.Q28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 E 0.27 M 0.25 K 0.15 I 0.01 R 0.01 C Shift Assignments>> C :: 175.823 CA :: 57.148 CB :: 30.775 CG :: 34.412 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 :: 8.196 HA :: 4.458 HB2 :: 2.187 HB3 :: 2.083 HG2 :: 2.357 HG3 :: 2.358 HE21 :: 7.574 HE22 :: 6.866 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 :: 114.539 NE2 :: 112.552 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.537 CA :: 63.322 CB :: 32.907 CG1 :: 22.022 CG2 :: 21.457 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 :: 7.835 HA :: 4.117 HB :: 1.769 HG11 :: 0.774 HG12 :: 0.774 HG13 :: 0.774 HG21 :: 0.989 HG22 :: 0.989 HG23 :: 0.989 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 :: 122.042 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>> G 0.78 R 0.15 K 0.05 C Shift Assignments>> C :: 174.611 CA :: 54.097 CB :: 34.873 CG :: 26.679 CD :: 44.204 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 :: 8.585 HA :: 5.592 HB2 :: 1.875 HB3 :: 1.817 HG2 :: 1.719 HG3 :: 1.596 HD2 :: 3.142 HD3 :: 3.048 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 :: 128.847 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.G31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 170.969 CA :: 45.984 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.047 HA2 :: 3.461 HA3 :: 4.802 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.418 Ave N Shift Values>> N :: 109.91(4.29) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 A 0.38 L 0.07 C Shift Assignments>> C :: 173.718 CA :: 54.081 CB :: 46.096 CG :: 27.441 CD1 :: 21.194 CD2 :: 25.604 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 :: 8.195 HA :: 4.843 HB2 :: 1.802 HB3 :: 1.184 HG :: 1.196 HD11 :: -0.009 HD12 :: -0.009 HD13 :: -0.009 HD21 :: 0.689 HD22 :: 0.689 HD23 :: 0.689 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 :: 121.840 Ave N Shift Values>> N :: 121.98(4.07) 1.L33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.16 A 0.01 R 0.01 C Shift Assignments>> C :: 174.281 CA :: 52.913 CB :: 45.837 CG :: 27.415 CD1 :: 24.173 CD2 :: 27.060 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 :: 9.302 HA :: 4.903 HB2 :: 2.096 HB3 :: 1.822 HG :: 1.500 HD11 :: 0.873 HD12 :: 0.873 HD13 :: 0.873 HD21 :: 0.632 HD22 :: 0.632 HD23 :: 0.632 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 129.090 Ave N Shift Values>> N :: 121.98(4.07) 1.R34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.27 D 0.13 K 0.08 G 0.06 F 0.04 Y 0.03 N 0.01 C Shift Assignments>> C :: 176.490 CA :: 54.639 CD :: 43.249 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 :: 9.425 HA :: 4.771 HD2 :: 3.223 HD3 :: 3.139 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 127.1 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.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.305 CA :: 65.826 CB :: 31.798 CG :: 28.004 CD :: 51.091 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 :: 4.476 HB2 :: 2.502 HB3 :: 2.131 HG2 :: 2.342 HG3 :: 2.006 HD2 :: 3.879 HD3 :: 3.586 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.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 K 0.18 L 0.15 G 0.14 C Shift Assignments>> C :: 175.981 CA :: 58.230 CB :: 28.897 CG :: 26.339 CD :: 43.600 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 :: 8.094 HA :: 4.298 HB2 :: 1.967 HB3 :: 1.804 HG2 :: 1.556 HG3 :: 1.556 HD2 :: 3.215 HD3 :: 3.161 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 :: 114.597 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.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.32 R 0.2 D 0.19 K 0.12 F 0.05 Y 0.03 G 0.03 N 0.02 C Shift Assignments>> C :: 173.708 CA :: 54.047 CB :: 42.762 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 :: 7.967 HA :: 5.128 HB2 :: 3.274 HB3 :: 2.894 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 :: 118.980 Ave N Shift Values>> N :: 120.73(4.2) 1.M38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.79 A 0.17 I 0.02 C Shift Assignments>> C :: 174.849 CA :: 56.119 CB :: 35.540 CG :: 32.712 CE :: 16.720 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 :: 7.447 HA :: 4.871 HB2 :: 2.177 HB3 :: 2.176 HG2 :: 2.776 HG3 :: 2.100 HE1 :: 1.535 HE2 :: 1.535 HE3 :: 1.535 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 :: 117.684 Ave N Shift Values>> N :: 120.1(3.88) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.050 CA :: 60.967 CB :: 38.293 CG1 :: 28.106 CG2 :: 17.550 CD1 :: 12.833 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 :: 8.423 HA :: 4.343 HB :: 2.208 HG12 :: 1.632 HG13 :: 1.369 HG21 :: 1.024 HG22 :: 1.024 HG23 :: 1.024 HD11 :: 0.944 HD12 :: 0.944 HD13 :: 0.944 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.687 Ave N Shift Values>> N :: 121.6(4.72) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V54 1.V54 C Shift Assignments>> C :: 174.026 CA :: 61.572 CB :: 62.518 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.844 HA :: 3.917 HB2 :: 4.294 HB3 :: 4.133 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 :: 118.024 Ave N Shift Values>> N :: 116.3(3.95) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.57 L 0.4 A 0.01 C Shift Assignments>> C :: 174.447 CA :: 54.895 CB :: 45.512 CG :: 26.446 CD1 :: 23.836 CD2 :: 24.605 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 :: 7.925 HA :: 4.250 HB2 :: 1.306 HB3 :: 1.089 HG :: 1.305 HD11 :: 0.641 HD12 :: 0.641 HD13 :: 0.641 HD21 :: 0.031 HD22 :: 0.031 HD23 :: 0.031 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 :: 122.690 Ave N Shift Values>> N :: 121.98(4.07) 1.R42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.56 K 0.25 G 0.18 C Shift Assignments>> C :: 177.421 CA :: 54.234 CB :: 32.848 CG :: 27.363 CD :: 43.463 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 :: 8.096 HA :: 4.725 HB2 :: 2.146 HB3 :: 1.511 HG2 :: 1.628 HG3 :: 1.627 HD2 :: 3.191 HD3 :: 3.247 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.382 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.L43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.87 R 0.09 G 0.02 C Shift Assignments>> C :: 178.927 CA :: 58.590 CB :: 42.064 CG :: 26.716 CD1 :: 25.148 CD2 :: 24.904 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 :: 9.163 HA :: 3.650 HB2 :: 1.544 HB3 :: 1.544 HG :: 1.640 HD11 :: 0.854 HD12 :: 0.854 HD13 :: 0.854 HD21 :: 0.791 HD22 :: 0.791 HD23 :: 0.791 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 124.246 Ave N Shift Values>> N :: 121.98(4.07) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.42 I 0.23 K 0.2 Q 0.11 R 0.01 M 0.01 C Shift Assignments>> C :: 176.677 CA :: 58.505 CB :: 28.174 CG :: 35.853 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 :: 9.028 HA :: 4.195 HB2 :: 2.007 HB3 :: 2.007 HG2 :: 2.234 HG3 :: 2.232 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 :: 113.908 Ave N Shift Values>> N :: 120.68(3.68) 1.N45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.25 L 0.13 F 0.1 Y 0.1 K 0.04 C Shift Assignments>> C :: 174.389 CA :: 53.983 CB :: 40.134 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 :: 7.864 HA :: 4.771 HB2 :: 3.112 HB3 :: 2.691 HD21 :: 7.775 HD22 :: 7.034 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 116.076 ND2 :: 109.748 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.42 A 0.03 R 0.02 C Shift Assignments>> C :: 174.573 CA :: 54.128 CB :: 44.642 CG :: 26.217 CD1 :: 25.618 CD2 :: 23.352 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 :: 7.544 HA :: 4.493 HB2 :: 1.905 HB3 :: 1.123 HG :: 1.564 HD11 :: 0.613 HD12 :: 0.613 HD13 :: 0.613 HD21 :: 0.618 HD22 :: 0.618 HD23 :: 0.618 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 :: 119.287 Ave N Shift Values>> N :: 121.98(4.07) 1.N47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.24 N 0.13 K 0.08 R 0.07 F 0.03 G 0.03 Y 0.02 C Shift Assignments>> C :: 174.879 CA :: 51.581 CB :: 42.099 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 :: 8.183 HA :: 4.880 HB2 :: 2.628 HB3 :: 2.503 HD21 :: 7.943 HD22 :: 6.790 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 :: 117.093 ND2 :: 115.717 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.274 CA :: 65.657 CB :: 31.178 CG1 :: 21.470 CG2 :: 22.690 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 :: 8.716 HA :: 3.359 HB :: 1.886 HG11 :: 0.922 HG12 :: 0.922 HG13 :: 0.922 HG21 :: 0.928 HG22 :: 0.928 HG23 :: 0.928 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 :: 122.411 Ave N Shift Values>> N :: 121.02(4.96) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.24 R 0.2 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 174.396 CA :: 44.438 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.425 HA2 :: 4.482 HA3 :: 3.448 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 117.211 Ave N Shift Values>> N :: 109.91(4.29) 1.D50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.19 F 0.14 K 0.14 Y 0.12 N 0.08 R 0.02 I 0.01 C Shift Assignments>> C :: 175.597 CA :: 55.350 CB :: 40.825 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 :: 8.008 HA :: 4.568 HB2 :: 2.573 HB3 :: 2.802 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 :: 121.681 Ave N Shift Values>> N :: 120.73(4.2) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.57 M 0.3 K 0.04 Q 0.03 I 0.03 C Shift Assignments>> C :: 176.066 CA :: 55.382 CB :: 31.247 CG :: 36.533 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 :: 8.462 HA :: 5.167 HB2 :: 1.999 HB3 :: 1.928 HG2 :: 2.442 HG3 :: 2.189 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 :: 120.755 Ave N Shift Values>> N :: 120.68(3.68) 1.I52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.85 G 0.14 C Shift Assignments>> C :: 171.700 CA :: 60.062 CB :: 42.654 CG1 :: 27.847 CG2 :: 15.594 CD1 :: 14.201 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 :: 8.858 HA :: 4.746 HB :: 1.579 HG12 :: 1.542 HG13 :: 1.015 HG21 :: 0.602 HG22 :: 0.602 HG23 :: 0.602 HD11 :: 0.380 HD12 :: 0.380 HD13 :: 0.380 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 :: 122.827 Ave N Shift Values>> N :: 121.6(4.72) 1.I53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.042 CA :: 60.204 CB :: 37.838 CG1 :: 27.915 CG2 :: 18.206 CD1 :: 12.788 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 :: 8.195 HA :: 4.942 HB :: 1.783 HG12 :: 1.515 HG13 :: 0.945 HG21 :: 0.801 HG22 :: 0.801 HG23 :: 0.801 HD11 :: 0.717 HD12 :: 0.717 HD13 :: 0.717 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 :: 126.597 Ave N Shift Values>> N :: 121.6(4.72) 1.V54 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.91 A 0.06 V 0.01 HN Overlap>> 1.S40 1.S40 C Shift Assignments>> C :: 173.788 CA :: 58.415 CB :: 36.406 CG1 :: 24.126 CG2 :: 17.013 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 :: 8.828 HA :: 5.046 HB :: 1.860 HG11 :: 0.769 HG12 :: 0.769 HG13 :: 0.769 HG21 :: -0.141(S) HG22 :: -0.141(S) HG23 :: -0.141(S) 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 :: 118.033 Ave N Shift Values>> N :: 121.02(4.96) 1.Q55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.55 Q 0.25 E 0.1 K 0.07 C Shift Assignments>> C :: 177.135 CA :: 53.376 CB :: 31.519 CG :: 33.923 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 :: 9.112 HA :: 4.762 HB2 :: 1.769 HB3 :: 1.063(S) HG2 :: 1.573 HG3 :: 0.992(S) HE21 :: 6.538 HE22 :: 6.356 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 :: 120.609 NE2 :: 109.309 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.21 C Shift Assignments>> C :: 176.908 CA :: 52.336 CB :: 18.542 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.917 HA :: 4.752 HB1 :: 1.299 HB2 :: 1.299 HB3 :: 1.299 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 128.776 Ave N Shift Values>> N :: 123.23(3.7) 1.I57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.821 CA :: 62.233 CB :: 39.855 CG1 :: 27.112 CG2 :: 18.919 CD1 :: 13.739 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 :: 9.052 HA :: 4.397 HB :: 1.763 HG12 :: 1.356 HG13 :: 0.819 HG21 :: 0.861 HG22 :: 0.861 HG23 :: 0.861 HD11 :: 0.764 HD12 :: 0.764 HD13 :: 0.764 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 :: 121.698 Ave N Shift Values>> N :: 121.6(4.72) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 D 0.22 R 0.17 K 0.13 F 0.05 Y 0.04 N 0.03 G 0.02 C Shift Assignments>> C :: 173.546 CA :: 53.928 CB :: 42.568 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 :: 7.466 HA :: 4.716 HB2 :: 2.684 HB3 :: 2.684 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 115.984 Ave N Shift Values>> N :: 120.73(4.2) 1.V59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.685 CA :: 61.800 CB :: 34.617 CG1 :: 20.829 CG2 :: 20.738 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 :: 8.477 HA :: 4.312 HB :: 1.922 HG11 :: 0.819 HG12 :: 0.819 HG13 :: 0.819 HG21 :: 0.694 HG22 :: 0.694 HG23 :: 0.694 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 :: 121.302 Ave N Shift Values>> N :: 121.02(4.96) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 G 0.21 K 0.09 HN Overlap>> 1.E4 1.E4 C Shift Assignments>> C :: 175.093 CA :: 53.017 CB :: 31.079 CG :: 27.026 CD :: 43.436 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 :: 8.618 HA :: 4.960 HB2 :: 1.807 HB3 :: 1.760 HG2 :: 1.558 HG3 :: 1.480 HD2 :: 3.292 HD3 :: 3.086 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 :: 126.298 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.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 179.261 CA :: 65.329 CB :: 32.121 CG :: 27.542 CD :: 51.227 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 :: 4.345 HB2 :: 2.386 HB3 :: 2.024 HG2 :: 2.151 HG3 :: 2.028 HD2 :: 3.949 HD3 :: 3.717 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.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.43 I 0.3 K 0.16 Q 0.07 HN Overlap>> 1.Y9 1.Y9 C Shift Assignments>> C :: 177.116 CA :: 58.786 CB :: 28.156 CG :: 36.124 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 :: 9.498 HA :: 4.190 HB2 :: 2.089 HB3 :: 2.091 HG2 :: 2.420 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 :: 118.869 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>> M 0.65 K 0.33 C Shift Assignments>> C :: 175.139 CA :: 55.171 CB :: 33.350 CG :: 24.94 CD :: 32.327 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 :: 7.419 HA :: 4.417 HB2 :: 2.026 HB3 :: 1.533 HG2 :: 1.440 HG3 :: 1.365 HD2 :: 1.643 HD3 :: 1.643 HE2 :: 2.985 HE3 :: 2.985 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 117.339 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 L 0.29 G 0.19 K 0.06 C Shift Assignments>> C :: 175.335 CA :: 57.219 CB :: 27.659 CG :: 27.730 CD :: 43.615 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 :: 7.987 HA :: 3.916 HB2 :: 1.629 HB3 :: 2.010 HG2 :: 1.632 HG3 :: 1.631 HD2 :: 3.248 HD3 :: 3.247 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 :: 117.476 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.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 E 0.36 Q 0.06 K 0.01 C Shift Assignments>> C :: 175.323 CA :: 55.281 CB :: 32.788 CG :: 35.769 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 :: 7.386 HA :: 4.781 HB2 :: 1.963 HB3 :: 1.793 HG2 :: 2.325 HG3 :: 2.207 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 116.936 Ave N Shift Values>> N :: 120.68(3.68) 1.I66 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 :: 173.944 CA :: 60.654 CB :: 41.665 CG1 :: 28.245 CG2 :: 17.732 CD1 :: 14.744 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 :: 7.987 HA :: 4.246 HB :: 1.157 HG12 :: 1.385 HG13 :: 0.783 HG21 :: 0.091 HG22 :: 0.091 HG23 :: 0.091 HD11 :: 0.609 HD12 :: 0.609 HD13 :: 0.609 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 :: 122.996 Ave N Shift Values>> N :: 121.6(4.72) 1.D67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.2 D 0.17 G 0.14 K 0.05 F 0.03 N 0.02 Y 0.02 C Shift Assignments>> C :: 174.477 CA :: 52.957 CB :: 43.37 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 :: 8.216 HA :: 5.338 HB2 :: 2.615 HB3 :: 2.515 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 124.673 Ave N Shift Values>> N :: 120.73(4.2) 1.F68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 F 0.26 Y 0.18 C Shift Assignments>> C :: 173.334 CA :: 55.504 CB :: 44.016 CZ :: 128.794 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 :: 8.846 HA :: 5.884 HB2 :: 3.123 HB3 :: 2.553 HD1 :: 6.961 HD2 :: 6.961 HE1 :: 6.977 HE2 :: 6.977 HZ :: 6.724 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 :: 121.215 Ave N Shift Values>> N :: 120.69(4.18) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.8 K 0.1 G 0.06 M 0.02 C Shift Assignments>> C :: 174.338 CA :: 54.381 CB :: 38.076 CG :: 25.025 CD :: 30.208 CE :: 42.388 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 :: 9.268 HA :: 5.063 HB2 :: 1.934 HB3 :: 1.766 HG2 :: 1.644 HG3 :: 1.265 HD2 :: 1.692 HD3 :: 1.701 HE2 :: 2.933 HE3 :: 2.825 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 :: 118.527 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.95 G 0.04 C Shift Assignments>> C :: 172.895 CA :: 57.682 CB :: 42.151 CD1 :: 134.049 CD2 :: 134.049 CE1 :: 118.660 CE2 :: 118.660 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.833 HA :: 5.092 HB2 :: 2.813 HB3 :: 2.814 HD1 :: 7.224 HD2 :: 7.224 HE1 :: 6.864 HE2 :: 6.864 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 :: 123.984 Ave N Shift Values>> N :: 120.79(4.69) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.9 A 0.09 C Shift Assignments>> CA :: 57.666 CB :: 40.970 CG1 :: 27.146 CG2 :: 17.450 CD1 :: 14.014 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 :: 8.090 HA :: 4.506 HB :: 1.683 HG12 :: 1.385 HG13 :: 1.076 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 HD11 :: 0.867 HD12 :: 0.867 HD13 :: 0.867 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 :: 126.463 Ave N Shift Values>> N :: 121.6(4.72) 1.P72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.799 CA :: 62.983 CB :: 32.020 CG :: 27.664 CD :: 50.977 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 :: 4.290 HB2 :: 2.283 HB3 :: 1.886 HG2 :: 2.041 HG3 :: 2.051 HD2 :: 3.627 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) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.12 G 0.04 A 0.01 C Shift Assignments>> C :: 177.237 CA :: 55.270 CB :: 42.656 CG :: 27.173 CD1 :: 24.880 CD2 :: 23.609 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 :: 8.178 HA :: 4.164 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.848 HD22 :: 0.848 HD23 :: 0.848 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 :: 122.030 Ave N Shift Values>> N :: 121.98(4.07) 1.E74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.45 M 0.17 Q 0.16 K 0.16 I 0.03 C Shift Assignments>> C :: 176.150 CA :: 56.347 CB :: 30.236 CG :: 35.617 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 :: 8.288 HA :: 4.194 HB2 :: 1.840 HB3 :: 1.844 HG2 :: 2.161 HG3 :: 2.113 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 :: 121.132 Ave N Shift Values>> N :: 120.68(3.68) ########################################################################### Overall Results: #Consistent: 71 #Clerical: 0 #Suspicious: 3 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 74 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 74 #Suspicious: 0 C Shift Results: #Consistent: 346 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 560 #Duplicate: 0 #Unknown: 0 #Suspicious: 6 #Anomalous: 0 N Shift Results: #Consistent: 75 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E17 HB3 = 0.832(S), Expected = 2.04, Std = 0.2300, ChiSquare = 1.5031e-07 1.V54 HG21 = -0.141(S), Expected = 0.83, Std = 0.2900, ChiSquare = 8.1316e-04 1.V54 HG22 = -0.141(S), Expected = 0.83, Std = 0.2900, ChiSquare = 8.1316e-04 1.V54 HG23 = -0.141(S), Expected = 0.83, Std = 0.2900, ChiSquare = 8.1316e-04 1.Q55 HB3 = 1.063(S), Expected = 2.04, Std = 0.2900, ChiSquare = 7.5451e-04 1.Q55 HG3 = 0.992(S), Expected = 2.32, Std = 0.2900, ChiSquare = 4.6651e-06