Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 173.604 CA :: 45.295 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> HA2 :: 4.012 HA3 :: 4.012 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 173.175 CA :: 60.964 CB :: 70.819 CG2 :: 21.447 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.761 HA :: 4.282 HB :: 4.001 HG21 :: 1.096 HG22 :: 1.096 HG23 :: 1.096 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.736 Ave N Shift Values>> N :: 115.7(5.05) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 A 0.32 C 0.19 K 0.04 HN Overlap>> 1.L74 1.L74 C Shift Assignments>> C :: 174.870 CA :: 51.214 CB :: 22.716 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.324 HA :: 4.341 HB1 :: 1.312 HB2 :: 1.312 HB3 :: 1.312 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.617 Ave N Shift Values>> N :: 123.23(3.7) 1.R10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 R 0.32 K 0.18 G 0.09 C Shift Assignments>> C :: 175.124 CA :: 53.720 CB :: 33.104 CG :: 27.164 CD :: 43.197 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 :: 8.220 HA :: 4.508 HB2 :: 1.572 HB3 :: 1.724 HG2 :: 1.527 HG3 :: 1.527 HD2 :: 3.187 HD3 :: 3.187 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 116.208 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.55 C 0.25 G 0.09 R 0.08 C Shift Assignments>> C :: 176.194 CA :: 55.354 CB :: 43.380 CG :: 26.742 CD1 :: 25.479 CD2 :: 24.807 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 :: 8.623 HA :: 4.226 HB2 :: 1.765 HB3 :: 1.408 HG :: 1.309 HD11 :: 0.886 HD12 :: 0.886 HD13 :: 0.886 HD21 :: 0.882 HD22 :: 0.882 HD23 :: 0.882 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.658 Ave N Shift Values>> N :: 121.98(4.07) 1.V12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.89 C 0.1 C Shift Assignments>> C :: 176.140 CA :: 64.525 CB :: 32.570 CG1 :: 21.108 CG2 :: 20.445 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 :: 8.576 HA :: 3.957 HB :: 1.546 HG11 :: 0.756 HG12 :: 0.756 HG13 :: 0.756 HG21 :: 0.899 HG22 :: 0.899 HG23 :: 0.899 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.427 Ave N Shift Values>> N :: 121.02(4.96) 1.A13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.79 L 0.11 C 0.08 C Shift Assignments>> C :: 175.952 CA :: 52.320 CB :: 20.999 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.941 HA :: 4.627 HB1 :: 1.447 HB2 :: 1.447 HB3 :: 1.447 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.252 Ave N Shift Values>> N :: 123.23(3.7) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.17 R 0.12 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.823 CA :: 44.695 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.483 HA2 :: 3.923 HA3 :: 4.393 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.929 Ave N Shift Values>> N :: 109.91(4.29) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 G 0.28 C 0.23 R 0.03 C Shift Assignments>> C :: 177.843 CA :: 55.505 CB :: 44.524 CG :: 26.669 CD1 :: 25.050 CD2 :: 25.005 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 :: 9.831 HA :: 4.446 HB2 :: 1.634 HB3 :: 1.348 HG :: 1.829 HD11 :: 1.213 HD12 :: 1.213 HD13 :: 1.213 HD21 :: 0.672 HD22 :: 0.672 HD23 :: 0.672 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.332 Ave N Shift Values>> N :: 121.98(4.07) 1.E16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 E 0.26 Q 0.02 C Shift Assignments>> C :: 175.275 CA :: 54.268 CB :: 32.745 CG :: 36.216 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 :: 8.510 HA :: 4.719 HB2 :: 1.835 HB3 :: 2.149 HG2 :: 2.332 HG3 :: 2.413 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 :: 120.700 Ave N Shift Values>> N :: 120.68(3.68) 1.D17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.21 L 0.17 F 0.13 C 0.12 K 0.12 Y 0.11 N 0.06 R 0.02 I 0.01 C Shift Assignments>> C :: 176.576 CA :: 55.518 CB :: 40.826 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 :: 8.429 HA :: 4.995 HB2 :: 2.890 HB3 :: 2.560 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 :: 120.525 Ave N Shift Values>> N :: 120.73(4.2) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.52 C 0.46 I 0.01 HN Overlap>> 1.K48 1.K48 C Shift Assignments>> C :: 173.906 CA :: 61.682 CB :: 35.845 CG1 :: 22.458 CG2 :: 21.404 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 :: 8.366 HA :: 4.176 HB :: 1.512 HG11 :: 0.644 HG12 :: 0.644 HG13 :: 0.644 HG21 :: 0.300 HG22 :: 0.300 HG23 :: 0.300 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 :: 122.466 Ave N Shift Values>> N :: 121.02(4.96) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 Q 0.31 K 0.14 E 0.13 R 0.01 C Shift Assignments>> C :: 175.110 CA :: 53.900 CB :: 30.919 CG :: 34.025 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 :: 8.367 HA :: 5.619 HB2 :: 1.847 HB3 :: 1.847 HG2 :: 2.022 HG3 :: 2.022 HE21 :: 7.210 HE22 :: 6.599 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 :: 127.380 NE2 :: 110.953 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.78 V 0.14 I 0.04 A 0.02 C Shift Assignments>> C :: 174.983 CA :: 58.755 CB :: 35.881 CG1 :: 22.188 CG2 :: 18.906 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 :: 8.135 HA :: 4.703 HB :: 2.672 HG11 :: 0.890 HG12 :: 0.890 HG13 :: 0.890 HG21 :: 0.573 HG22 :: 0.573 HG23 :: 0.573 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 :: 117.378 Ave N Shift Values>> N :: 121.02(4.96) 1.Y21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 175.054 CA :: 57.870 CB :: 39.617 CD1 :: 133.298 CD2 :: 133.298 CE1 :: 117.924 CE2 :: 117.924 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 :: 8.774 HA :: 4.725 HB2 :: 3.114 HB3 :: 2.617 HD1 :: 7.210 HD2 :: 7.210 HE1 :: 6.779 HE2 :: 6.779 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 119.294 Ave N Shift Values>> N :: 120.79(4.69) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.25 C 0.11 K 0.11 D 0.07 F 0.06 Y 0.04 G 0.03 C Shift Assignments>> C :: 176.921 CA :: 56.281 CB :: 43.132 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 :: 8.158 HA :: 4.103 HB2 :: 2.510 HB3 :: 2.673 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 :: 118.943 Ave N Shift Values>> N :: 120.73(4.2) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 175.191 CA :: 45.195 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.579 HA2 :: 4.365 HA3 :: 3.370 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.960 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>> C 0.67 E 0.22 I 0.09 HN Overlap>> 1.H77 1.H77 C Shift Assignments>> C :: 174.598 CA :: 56.453 CB :: 31.259 CG :: 38.669 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 :: 8.081 HA :: 4.424 HB2 :: 2.356 HB3 :: 2.215 HG2 :: 2.206 HG3 :: 2.420 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 :: 121.528 Ave N Shift Values>> N :: 120.68(3.68) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 N 0.18 L 0.15 C 0.11 K 0.06 F 0.06 Y 0.05 R 0.01 C Shift Assignments>> C :: 175.489 CA :: 53.188 CB :: 40.841 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 :: 8.241 HA :: 5.385 HB2 :: 2.319 HB3 :: 2.559 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 :: 118.115 Ave N Shift Values>> N :: 120.73(4.2) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.41 C 0.27 A 0.16 K 0.06 P 0.06 R 0.01 C Shift Assignments>> C :: 174.660 CA :: 50.282 CB :: 23.432 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.059 HA :: 4.605 HB1 :: 1.287 HB2 :: 1.287 HB3 :: 1.287 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.105 Ave N Shift Values>> N :: 123.23(3.7) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.67 C 0.32 C Shift Assignments>> C :: 174.378 CA :: 61.544 CB :: 33.208 CG1 :: 20.851 CG2 :: 20.762 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 :: 8.003 HA :: 4.679 HB :: 1.830 HG11 :: 0.820 HG12 :: 0.820 HG13 :: 0.820 HG21 :: 0.724 HG22 :: 0.724 HG23 :: 0.724 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 :: 122.333 Ave N Shift Values>> N :: 121.02(4.96) 1.F28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.63 C 0.36 C Shift Assignments>> C :: 174.522 CA :: 56.878 CB :: 41.374 CD1 :: 131.871 CD2 :: 131.871 CE1 :: 130.987 CE2 :: 130.987 CZ :: 128.895 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 :: 9.316 HA :: 4.766 HB2 :: 3.151 HB3 :: 2.861 HD1 :: 7.179 HD2 :: 7.179 HE1 :: 7.109 HE2 :: 7.109 HZ :: 7.035 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 :: 127.315 Ave N Shift Values>> N :: 120.69(4.18) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.93 T 0.06 C Shift Assignments>> C :: 171.553 CA :: 56.964 CB :: 66.113 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.192 HA :: 5.706 HB2 :: 3.644 HB3 :: 3.569 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.831 Ave N Shift Values>> N :: 116.3(3.95) 1.L30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.38 C 0.29 G 0.23 R 0.08 HN Overlap>> 1.L32 1.L32 C Shift Assignments>> C :: 174.145 CA :: 55.337 CB :: 43.993 CG :: 25.682 CD1 :: 25.807 CD2 :: 26.552 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 :: 8.969 HA :: 4.718 HB2 :: 1.598 HB3 :: 1.876 HG :: 1.217 HD11 :: 0.082 HD12 :: 0.082 HD13 :: 0.082 HD21 :: -0.154 HD22 :: -0.154 HD23 :: -0.154 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 :: 122.154 Ave N Shift Values>> N :: 121.98(4.07) 1.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.18 G 0.16 D 0.12 C 0.12 K 0.03 F 0.02 Y 0.01 N 0.01 C Shift Assignments>> C :: 175.786 CA :: 53.197 CB :: 43.632 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 :: 8.978 HA :: 5.537 HB2 :: 2.461 HB3 :: 2.590 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 :: 118.642 Ave N Shift Values>> N :: 120.73(4.2) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.34 L 0.09 HN Overlap>> 1.L30 1.L30 C Shift Assignments>> C :: 177.234 CA :: 52.716 CB :: 46.571 CG :: 27.145 CD1 :: 27.726 CD2 :: 24.925 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 :: 8.979 HA :: 5.255 HB2 :: 2.368 HB3 :: 1.567 HG :: 1.572 HD11 :: 0.897 HD12 :: 0.897 HD13 :: 0.897 HD21 :: 0.762 HD22 :: 0.762 HD23 :: 0.762 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 :: 122.080 Ave N Shift Values>> N :: 121.98(4.07) 1.S33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.443 CA :: 59.445 CB :: 63.479 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.375 HA :: 4.209 HB2 :: 3.610 HB3 :: 4.163 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 :: 109.510 Ave N Shift Values>> N :: 116.3(3.95) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.81 C 0.16 A 0.01 C Shift Assignments>> C :: 172.360 CA :: 59.420 CB :: 70.210 CG2 :: 19.538 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.323 HA :: 4.536 HB :: 4.048 HG21 :: 1.017 HG22 :: 1.017 HG23 :: 1.017 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.958 Ave N Shift Values>> N :: 115.7(5.05) 1.I35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.75 C 0.24 C Shift Assignments>> C :: 174.247 CA :: 62.395 CB :: 37.076 CG1 :: 28.025 CG2 :: 17.155 CD1 :: 12.887 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 :: 8.005 HA :: 3.986 HB :: 1.821 HG12 :: 1.683 HG13 :: 0.696 HG21 :: 0.822 HG22 :: 0.822 HG23 :: 0.822 HD11 :: 0.875 HD12 :: 0.875 HD13 :: 0.875 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.512 Ave N Shift Values>> N :: 121.6(4.72) 1.I36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 I 0.4 G 0.05 C Shift Assignments>> C :: 171.775 CA :: 60.466 CB :: 42.563 CG1 :: 29.030 CG2 :: 16.843 CD1 :: 15.342 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 :: 8.792 HA :: 4.500 HB :: 1.609 HG12 :: 1.708 HG13 :: 1.416 HG21 :: 0.791 HG22 :: 0.791 HG23 :: 0.791 HD11 :: 0.895 HD12 :: 0.895 HD13 :: 0.895 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 :: 131.152 Ave N Shift Values>> N :: 121.6(4.72) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.27 C 0.26 K 0.23 E 0.17 R 0.03 C Shift Assignments>> C :: 175.926 CA :: 55.966 CB :: 29.478 CG :: 34.237 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.663 HA :: 4.619 HB2 :: 2.103 HB3 :: 2.057 HG2 :: 2.461 HG3 :: 2.498 HE21 :: 7.675 HE22 :: 6.885 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 122.647 NE2 :: 112.695 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.23 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 171.947 CA :: 44.332 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.679 HA2 :: 3.195 HA3 :: 4.305 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.944 Ave N Shift Values>> N :: 109.91(4.29) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.84 C 0.15 C Shift Assignments>> C :: 170.701 CA :: 61.713 CB :: 71.435 CG2 :: 22.629 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 :: 7.626 HA :: 4.329 HB :: 3.503 HG21 :: 0.697 HG22 :: 0.697 HG23 :: 0.697 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.047 Ave N Shift Values>> N :: 115.7(5.05) 1.W40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.47 H 0.01 C Shift Assignments>> C :: 174.894 CA :: 55.811 CB :: 32.904 CD1 :: 127.022 CE3 :: 122.053 CZ2 :: 113.836 CZ3 :: 120.224 CH2 :: 123.769 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.949 HA :: 5.330 HB2 :: 3.127 HB3 :: 2.864 HD1 :: 7.305 HE1 :: 10.996 HE3 :: 7.668 HZ2 :: 6.974 HZ3 :: 6.638 HH2 :: 6.639 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 125.085 NE1 :: 129.857 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.F41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 F 0.33 C 0.22 C Shift Assignments>> C :: 174.665 CA :: 55.771 CB :: 44.494 CD1 :: 131.068 CD2 :: 131.068 CE1 :: 130.992 CE2 :: 130.992 CZ :: 129.554 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 :: 9.251 HA :: 5.139 HB2 :: 2.483 HB3 :: 2.447 HD1 :: 6.637 HD2 :: 6.637 HE1 :: 7.089 HE2 :: 7.089 HZ :: 7.083 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 :: 117.036 Ave N Shift Values>> N :: 120.69(4.18) 1.L42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.23 C 0.19 R 0.01 C Shift Assignments>> C :: 177.120 CA :: 53.306 CB :: 45.603 CG :: 27.685 CD1 :: 26.211 CD2 :: 24.371 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 :: 8.764 HA :: 5.104 HB2 :: 1.794 HB3 :: 1.112 HG :: 1.365 HD11 :: 0.806 HD12 :: 0.806 HD13 :: 0.806 HD21 :: 0.732 HD22 :: 0.732 HD23 :: 0.732 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.483 Ave N Shift Values>> N :: 121.98(4.07) 1.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 N 0.27 E 0.14 Y 0.12 F 0.06 D 0.04 K 0.02 I 0.01 C Shift Assignments>> C :: 175.659 CA :: 54.444 CB :: 37.061 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 :: 10.185 HA :: 4.502 HB2 :: 2.952 HB3 :: 3.087 HD21 :: 6.932 HD22 :: 7.917 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 :: 127.854 ND2 :: 113.899 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 L 0.1 C 0.08 R 0.04 C Shift Assignments>> C :: 173.431 CA :: 45.211 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.278 HA2 :: 3.454 HA3 :: 4.175 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 103.282 Ave N Shift Values>> N :: 109.91(4.29) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.38 Q 0.08 K 0.05 I 0.01 C Shift Assignments>> C :: 175.286 CA :: 54.754 CB :: 31.272 CG :: 35.862 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 :: 7.868 HA :: 4.654 HB2 :: 2.019 HB3 :: 2.123 HG2 :: 2.207 HG3 :: 2.336 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 :: 121.827 Ave N Shift Values>> N :: 120.68(3.68) 1.E46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.34 C 0.33 K 0.13 Q 0.13 I 0.03 HN Overlap>> 1.Q104 1.Q104 C Shift Assignments>> C :: 176.371 CA :: 56.689 CB :: 30.094 CG :: 35.569 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 :: 8.806 HA :: 3.685 HB2 :: 1.812 HB3 :: 1.699 HG2 :: 1.694 HG3 :: 1.694 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 :: 126.784 Ave N Shift Values>> N :: 120.68(3.68) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.37 A 0.35 C 0.26 C Shift Assignments>> C :: 176.085 CA :: 53.327 CB :: 40.952 CG :: 25.780 CD1 :: 25.819 CD2 :: 21.396 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 :: 8.565 HA :: 4.370 HB2 :: 1.444 HB3 :: 0.763 HG :: 1.277 HD11 :: 0.161 HD12 :: 0.161 HD13 :: 0.161 HD21 :: 0.318 HD22 :: 0.318 HD23 :: 0.318 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 :: 128.611 Ave N Shift Values>> N :: 121.98(4.07) 1.K48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.39 R 0.17 HN Overlap>> 1.V18 1.V18 C Shift Assignments>> C :: 177.423 CA :: 55.957 CB :: 33.487 CG :: 24.946 CD :: 28.896 CE :: 42.087 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 :: 8.265 HA :: 4.456 HB2 :: 1.812 HB3 :: 1.935 HG2 :: 1.434 HG3 :: 1.490 HD2 :: 1.693 HD3 :: 1.693 HE2 :: 2.998 HE3 :: 2.998 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.430 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.271 CA :: 58.997 CB :: 63.802 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.791 HA :: 4.539 HB2 :: 4.047 HB3 :: 3.973 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.N50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.38 D 0.21 C 0.15 Y 0.09 F 0.07 L 0.04 E 0.01 C Shift Assignments>> C :: 174.607 CA :: 53.525 CB :: 39.011 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 :: 8.449 HA :: 4.779 HB2 :: 2.838 HB3 :: 2.796 HD21 :: 7.568 HD22 :: 6.859 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 120.303 ND2 :: 112.716 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 K 0.13 Q 0.09 I 0.01 C Shift Assignments>> C :: 174.746 CA :: 54.586 CB :: 29.771 CG :: 35.919 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 :: 8.357 HA :: 4.608 HB2 :: 1.880 HB3 :: 2.072 HG2 :: 2.296 HG3 :: 2.296 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 :: 121.316 Ave N Shift Values>> N :: 120.68(3.68) 1.P52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 177.075 CA :: 63.736 CB :: 32.021 CG :: 27.617 CD :: 50.577 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 :: 4.384 HB2 :: 1.927 HB3 :: 2.315 HG2 :: 2.019 HG3 :: 2.120 HD2 :: 3.727 HD3 :: 3.871 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.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.38 K 0.09 I 0.06 Q 0.04 C Shift Assignments>> C :: 176.967 CA :: 56.669 CB :: 30.086 CG :: 36.353 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.488 HA :: 4.308 HB2 :: 1.955 HB3 :: 2.060 HG2 :: 2.258 HG3 :: 2.283 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 :: 120.045 Ave N Shift Values>> N :: 120.68(3.68) 1.G54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 173.750 CA :: 45.252 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.273 HA2 :: 3.964 HA3 :: 3.903 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.440 Ave N Shift Values>> N :: 109.91(4.29) 1.Q55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.26 K 0.26 E 0.12 R 0.04 C Shift Assignments>> C :: 175.829 CA :: 55.550 CB :: 29.487 CG :: 33.782 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 :: 4.415 HB2 :: 1.950 HB3 :: 2.080 HG2 :: 2.313 HG3 :: 2.313 HE21 :: 7.581 HE22 :: 6.844 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 :: 120.055 NE2 :: 112.539 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.71 C 0.28 HN Overlap>> 1.H77 1.H77 C Shift Assignments>> C :: 175.977 CA :: 62.013 CB :: 33.027 CG1 :: 21.344 CG2 :: 20.431 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 :: 8.205 HA :: 4.157 HB :: 2.061 HG11 :: 0.913 HG12 :: 0.913 HG13 :: 0.913 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 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 :: 121.481 Ave N Shift Values>> N :: 121.02(4.96) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 K 0.14 Q 0.09 I 0.02 C Shift Assignments>> C :: 174.656 CA :: 54.586 CB :: 29.472 CG :: 35.983 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 :: 8.472 HA :: 4.575 HB2 :: 1.911 HB3 :: 2.068 HG2 :: 2.299 HG3 :: 2.299 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 :: 125.628 Ave N Shift Values>> N :: 120.68(3.68) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 177.902 CA :: 64.093 CB :: 31.751 CG :: 27.600 CD :: 50.603 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 :: 4.338 HB2 :: 1.930 HB3 :: 2.298 HG2 :: 2.010 HG3 :: 2.010 HD2 :: 3.872 HD3 :: 3.731 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.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.76 L 0.09 C 0.08 R 0.04 C Shift Assignments>> C :: 173.961 CA :: 45.245 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.605 HA2 :: 4.034 HA3 :: 3.847 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.490 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>> A 0.94 C 0.03 L 0.01 C Shift Assignments>> C :: 177.391 CA :: 52.119 CB :: 19.780 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.801 HA :: 4.352 HB1 :: 1.444 HB2 :: 1.444 HB3 :: 1.444 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.239 Ave N Shift Values>> N :: 123.23(3.7) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.28 R 0.11 G 0.03 C Shift Assignments>> C :: 176.703 CA :: 55.414 CB :: 42.651 CG :: 27.211 CD1 :: 25.198 CD2 :: 24.640 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 :: 8.106 HA :: 4.352 HB2 :: 1.619 HB3 :: 1.619 HG :: 1.634 HD11 :: 0.861 HD12 :: 0.861 HD13 :: 0.861 HD21 :: 0.929 HD22 :: 0.929 HD23 :: 0.929 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 :: 121.715 Ave N Shift Values>> N :: 121.98(4.07) 1.R62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.34 K 0.17 G 0.06 C Shift Assignments>> C :: 174.883 CA :: 55.686 CB :: 31.422 CG :: 27.552 CD :: 43.306 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 :: 8.996 HA :: 4.574 HB2 :: 1.873 HB3 :: 1.946 HG2 :: 1.779 HG3 :: 1.609 HD2 :: 3.199 HD3 :: 3.199 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 125.375 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.Y63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.36 G 0.01 HN Overlap>> 1.Q71 1.Q71 C Shift Assignments>> C :: 173.589 CA :: 55.353 CB :: 41.966 CD1 :: 132.916 CD2 :: 132.916 CE1 :: 117.923 CE2 :: 117.923 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 7.646 HA :: 5.524 HB2 :: 2.830 HB3 :: 2.795 HD1 :: 6.655 HD2 :: 6.655 HE1 :: 6.782 HE2 :: 6.782 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 :: 117.568 Ave N Shift Values>> N :: 120.79(4.69) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 K 0.24 R 0.16 G 0.09 C Shift Assignments>> C :: 173.648 CA :: 55.418 CB :: 34.388 CG :: 28.136 CD :: 43.369 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 :: 9.157 HA :: 4.676 HB2 :: 1.818 HB3 :: 1.729 HG2 :: 1.434 HG3 :: 1.641 HD2 :: 3.231 HD3 :: 3.281 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 :: 120.119 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.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 C 0.41 C Shift Assignments>> C :: 175.887 CA :: 60.827 CB :: 40.744 CG1 :: 29.311 CG2 :: 18.961 CD1 :: 14.939 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 :: 8.836 HA :: 4.528 HB :: 1.678 HG12 :: 1.545 HG13 :: 0.705 HG21 :: 1.177 HG22 :: 1.177 HG23 :: 1.177 HD11 :: 0.973 HD12 :: 0.973 HD13 :: 0.973 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 :: 126.252 Ave N Shift Values>> N :: 121.6(4.72) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.93 E 0.05 C Shift Assignments>> C :: 176.138 CA :: 54.319 CB :: 34.689 CG :: 36.194 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 :: 9.451 HA :: 4.923 HB2 :: 1.925 HB3 :: 1.858 HG2 :: 2.022 HG3 :: 2.122 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 :: 125.425 Ave N Shift Values>> N :: 120.68(3.68) 1.Q67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 Q 0.29 K 0.25 E 0.07 R 0.05 C Shift Assignments>> C :: 174.121 CA :: 55.797 CB :: 30.267 CG :: 32.970 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 :: 8.916 HA :: 4.674 HB2 :: 1.878 HB3 :: 2.008 HG2 :: 2.051 HG3 :: 1.610 HE21 :: 7.386 HE22 :: 6.445 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.640 NE2 :: 110.451 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.33 R 0.16 G 0.01 C Shift Assignments>> C :: 176.548 CA :: 54.129 CB :: 32.780 CG :: 24.444 CD :: 29.129 CE :: 42.119 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.911 HA :: 4.578 HB2 :: 1.605 HB3 :: 1.797 HG2 :: 1.287 HG3 :: 1.287 HD2 :: 1.651 HD3 :: 1.651 HE2 :: 2.930 HE3 :: 2.930 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 129.550 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.25 P 0.06 A 0.04 L 0.02 N 0.01 C Shift Assignments>> C :: 174.343 CA :: 47.638 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.789 HA2 :: 4.089 HA3 :: 3.437 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.965 Ave N Shift Values>> N :: 109.91(4.29) 1.L70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 C 0.41 A 0.03 R 0.01 C Shift Assignments>> C :: 174.990 CA :: 56.789 CB :: 40.797 CG :: 26.870 CD1 :: 25.013 CD2 :: 21.961 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 :: 8.929 HA :: 3.907 HB2 :: 2.252 HB3 :: 1.691 HG :: 1.662 HD11 :: 0.953 HD12 :: 0.953 HD13 :: 0.953 HD21 :: 0.613 HD22 :: 0.613 HD23 :: 0.613 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 :: 131.330 Ave N Shift Values>> N :: 121.98(4.07) 1.Q71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 E 0.24 Q 0.06 HN Overlap>> 1.Y63 1.Y63 C Shift Assignments>> C :: 174.826 CA :: 54.952 CB :: 32.961 CG :: 35.521 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.678 HA :: 5.315 HB2 :: 2.005 HB3 :: 2.099 HG2 :: 2.583 HG3 :: 1.926 HE21 :: 8.396 HE22 :: 6.555 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.568 NE2 :: 113.044 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.H72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 H 0.12 W 0.03 Y 0.02 C Shift Assignments>> C :: 174.534 CA :: 55.987 CB :: 35.077 CD2 :: 116.540 CE1 :: 137.466 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 :: 8.998 HA :: 4.979 HB2 :: 3.351 HB3 :: 2.544 HD2 :: 6.663 HE1 :: 8.029 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 :: 126.422 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 G 0.32 R 0.03 K 0.02 C Shift Assignments>> C :: 172.218 CA :: 54.836 CB :: 35.794 CG :: 26.944 CD :: 44.107 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 :: 8.986 HA :: 5.649 HB2 :: 1.681 HB3 :: 1.681 HG2 :: 1.506 HG3 :: 1.621 HD2 :: 3.068 HD3 :: 3.068 HE :: 7.128 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 :: 119.950 NE :: 82.794 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.L74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.49 C 0.22 R 0.18 G 0.07 A 0.01 K 0.01 HN Overlap>> 1.A9 1.A9 C Shift Assignments>> C :: 173.973 CA :: 53.061 CB :: 42.922 CG :: 27.631 CD1 :: 26.900 CD2 :: 23.931 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 :: 8.436 HA :: 4.433 HB2 :: 0.570 HB3 :: -1.023(S) HG :: 0.888 HD11 :: 0.370 HD12 :: 0.370 HD13 :: 0.370 HD21 :: 0.268 HD22 :: 0.268 HD23 :: 0.268 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 :: 124.619 Ave N Shift Values>> N :: 121.98(4.07) 1.I75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.56 C 0.42 C Shift Assignments>> C :: 175.516 CA :: 60.258 CB :: 40.327 CG1 :: 29.297 CG2 :: 18.569 CD1 :: 15.110 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 :: 8.977 HA :: 4.784 HB :: 1.556 HG12 :: 1.326 HG13 :: 1.096 HG21 :: 0.423 HG22 :: 0.423 HG23 :: 0.423 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 :: 126.306 Ave N Shift Values>> N :: 121.6(4.72) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.19 R 0.08 G 0.06 A 0.03 C Shift Assignments>> C :: 175.656 CA :: 53.031 CB :: 42.845 CG :: 26.773 CD1 :: 26.577 CD2 :: 23.504 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 :: 9.162 HA :: 4.673 HB2 :: 1.906 HB3 :: 1.326 HG :: 1.615 HD11 :: 0.844 HD12 :: 0.844 HD13 :: 0.844 HD21 :: 0.756 HD22 :: 0.756 HD23 :: 0.756 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 :: 125.857 Ave N Shift Values>> N :: 121.98(4.07) 1.H77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.39 C 0.3 H 0.29 HN Overlap>> 1.V56 1.E24 1.V56 1.E24 C Shift Assignments>> C :: 175.022 CA :: 55.394 CB :: 29.952 CD2 :: 124.432 CE1 :: 138.165 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 :: 8.167 HA :: 4.701 HB2 :: 2.909 HB3 :: 2.842 HD2 :: 6.520 HE1 :: 7.662 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 :: 121.473 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.A78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.97 C 0.02 C Shift Assignments>> C :: 176.828 CA :: 51.871 CB :: 17.277 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.884 HA :: 3.550 HB1 :: 1.132 HB2 :: 1.132 HB3 :: 1.132 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.009 Ave N Shift Values>> N :: 123.23(3.7) 1.V79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.63 C 0.35 C Shift Assignments>> C :: 175.163 CA :: 62.344 CB :: 32.427 CG1 :: 23.629 CG2 :: 20.057 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 :: 8.012 HA :: 4.078 HB :: 2.202 HG11 :: 0.912 HG12 :: 0.912 HG13 :: 0.912 HG21 :: 0.871 HG22 :: 0.871 HG23 :: 0.871 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 :: 113.753 Ave N Shift Values>> N :: 121.02(4.96) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 K 0.43 R 0.08 G 0.01 A 0.01 C Shift Assignments>> C :: 178.429 CA :: 54.039 CB :: 35.539 CG :: 24.219 CD :: 28.629 CE :: 41.870 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 :: 8.927 HA :: 5.072 HB2 :: 1.711 HB3 :: 2.019 HG2 :: 1.568 HG3 :: 1.568 HD2 :: 1.722 HD3 :: 1.722 HE2 :: 3.014 HE3 :: 3.095 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 :: 119.102 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.46 C 0.28 H 0.25 C Shift Assignments>> C :: 177.444 CA :: 60.402 CB :: 29.516 CD2 :: 121.545 CE1 :: 138.091 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 :: 9.268 HA :: 4.041 HB2 :: 3.226 HB3 :: 3.089 HD2 :: 7.210 HE1 :: 8.021 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 :: 121.016 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 K 0.24 Q 0.23 R 0.14 E 0.05 I 0.01 C Shift Assignments>> C :: 175.976 CA :: 58.396 CB :: 27.717 CG :: 33.316 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.720 HA :: 4.071 HB2 :: 2.024 HB3 :: 2.024 HG2 :: 2.352 HG3 :: 2.295 HE21 :: 7.734 HE22 :: 6.804 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.944 NE2 :: 112.360 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.2 K 0.15 C 0.1 F 0.09 Y 0.07 N 0.06 R 0.04 C Shift Assignments>> C :: 175.544 CA :: 54.877 CB :: 41.344 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 :: 8.299 HA :: 4.759 HB2 :: 2.729 HB3 :: 2.800 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 :: 118.757 Ave N Shift Values>> N :: 120.73(4.2) 1.S84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.586 CA :: 61.211 CB :: 62.422 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.629 HA :: 3.717 HB2 :: 3.976 HB3 :: 4.233 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 :: 113.079 Ave N Shift Values>> N :: 116.3(3.95) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 L 0.19 R 0.14 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 174.314 CA :: 44.586 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.382 HA2 :: 3.751 HA3 :: 4.412 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.798 Ave N Shift Values>> N :: 109.91(4.29) 1.A86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.95 C 0.03 C Shift Assignments>> C :: 175.140 CA :: 52.487 CB :: 19.228 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.493 HA :: 4.551 HB1 :: 1.461 HB2 :: 1.461 HB3 :: 1.461 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.054 Ave N Shift Values>> N :: 123.23(3.7) 1.L87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 G 0.29 C 0.17 R 0.02 C Shift Assignments>> C :: 176.479 CA :: 53.263 CB :: 44.285 CG :: 27.113 CD1 :: 24.487 CD2 :: 24.226 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 :: 8.035 HA :: 4.928 HB2 :: 1.631 HB3 :: 1.548 HG :: 1.503 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.865 HD22 :: 0.865 HD23 :: 0.865 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.739 Ave N Shift Values>> N :: 121.98(4.07) 1.V88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 174.611 CA :: 61.314 CB :: 33.321 CG1 :: 21.741 CG2 :: 20.728 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 :: 9.248 HA :: 4.625 HB :: 1.263 HG11 :: 0.632 HG12 :: 0.632 HG13 :: 0.632 HG21 :: 0.053 HG22 :: 0.053 HG23 :: 0.053 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 :: 130.707 Ave N Shift Values>> N :: 121.02(4.96) 1.G89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.35 L 0.27 G 0.11 C 0.08 D 0.04 F 0.04 K 0.03 Y 0.02 C Shift Assignments>> C :: 171.047 CA :: 43.586 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.223 HA2 :: 3.637 HA3 :: 5.130 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.707 Ave N Shift Values>> N :: 109.91(4.29) 1.F90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.5 C 0.47 F 0.01 C Shift Assignments>> C :: 174.482 CA :: 55.961 CB :: 43.978 CD1 :: 129.461 CD2 :: 127.211 CE1 :: 129.086 CE2 :: 127.153(S) CZ :: 127.211 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 :: 8.349 HA :: 5.229 HB2 :: 1.878 HB3 :: 1.937 HD1 :: 6.319 HD2 :: 5.462 HE1 :: 6.292 HE2 :: 5.724 HZ :: 5.457 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 :: 119.727 Ave N Shift Values>> N :: 120.69(4.18) 1.S91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.82 T 0.17 C Shift Assignments>> C :: 171.958 CA :: 56.194 CB :: 66.711 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.246 HA :: 5.044 HB2 :: 3.602 HB3 :: 3.712 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 121.133 Ave N Shift Values>> N :: 116.3(3.95) 1.C92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.16 K 0.16 H 0.13 R 0.12 C 0.11 W 0.1 E 0.09 L 0.07 I 0.02 C Shift Assignments>> C :: 171.373 CA :: 55.998 CB :: 28.439 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.930 HA :: 4.825 HB2 :: 3.409 HB3 :: 2.321 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.721 Ave N Shift Values>> N :: 119.95(4.79) 1.P93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.83 C 0.16 C Shift Assignments>> C :: 176.737 CA :: 65.737 CB :: 30.672 CG :: 28.280 CD :: 50.086 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.323 HB2 :: 2.285 HB3 :: 2.085 HG2 :: 2.204 HG3 :: 1.962 HD2 :: 3.775 HD3 :: 3.316 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.G94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.487 CA :: 45.620 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.657 HA2 :: 3.662 HA3 :: 4.864 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.532 Ave N Shift Values>> N :: 109.91(4.29) 1.V95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> C :: 174.305 CA :: 62.336 CB :: 36.244 CG1 :: 21.629 CG2 :: 21.704 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 :: 8.476 HA :: 4.391 HB :: 2.424 HG11 :: 0.812 HG12 :: 0.812 HG13 :: 0.812 HG21 :: 0.628 HG22 :: 0.628 HG23 :: 0.628 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 :: 121.430 Ave N Shift Values>> N :: 121.02(4.96) 1.Q96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 Q 0.3 E 0.16 K 0.1 C Shift Assignments>> C :: 173.811 CA :: 55.496 CB :: 31.469 CG :: 33.900 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 :: 8.120 HA :: 5.040 HB2 :: 1.974 HB3 :: 1.974 HG2 :: 2.298 HG3 :: 2.298 HE21 :: 7.366 HE22 :: 6.662 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.601 NE2 :: 111.998 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.1 C 0.08 R 0.02 D 0.01 C Shift Assignments>> C :: 174.927 CA :: 52.944 CB :: 45.389 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 :: 8.985 HA :: 5.221 HB2 :: 2.319 HB3 :: 2.410 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 :: 124.010 Ave N Shift Values>> N :: 120.73(4.2) 1.S98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.89 T 0.1 C Shift Assignments>> C :: 171.778 CA :: 57.760 CB :: 66.168 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.777 HA :: 5.495 HB2 :: 3.795 HB3 :: 3.904 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 :: 116.104 Ave N Shift Values>> N :: 116.3(3.95) 1.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.5 C 0.19 K 0.17 R 0.04 P 0.02 A 0.02 H 0.01 Q 0.01 C Shift Assignments>> C :: 173.927 CA :: 52.019 CB :: 24.319 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.187 HA :: 4.594 HB1 :: 1.523 HB2 :: 1.523 HB3 :: 1.523 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.303 Ave N Shift Values>> N :: 123.23(3.7) 1.A100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 L 0.24 C 0.16 K 0.01 C Shift Assignments>> C :: 176.686 CA :: 50.770 CB :: 22.146 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.851 HA :: 5.312 HB1 :: 1.283 HB2 :: 1.283 HB3 :: 1.283 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.273 Ave N Shift Values>> N :: 123.23(3.7) 1.L101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 L 0.22 C 0.17 R 0.03 A 0.01 C Shift Assignments>> C :: 175.484 CA :: 53.181 CB :: 45.174 CG :: 27.710 CD1 :: 26.571 CD2 :: 23.901 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 :: 8.540 HA :: 5.363 HB2 :: 2.151 HB3 :: 1.379 HG :: 1.371 HD11 :: 0.846 HD12 :: 0.846 HD13 :: 0.846 HD21 :: 0.899 HD22 :: 0.899 HD23 :: 0.899 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 :: 122.994 Ave N Shift Values>> N :: 121.98(4.07) 1.T102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 172.552 CA :: 61.931 CB :: 70.463 CG2 :: 21.737 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 :: 9.252 HA :: 4.672 HB :: 3.946 HG21 :: 1.143 HG22 :: 1.143 HG23 :: 1.143 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 123.589 Ave N Shift Values>> N :: 115.7(5.05) 1.I103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.55 C 0.42 A 0.02 C Shift Assignments>> C :: 175.951 CA :: 58.513 CB :: 40.409 CG1 :: 27.802 CG2 :: 17.862 CD1 :: 14.257 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 :: 8.471 HA :: 4.880 HB :: 1.588 HG12 :: 1.322 HG13 :: 0.795 HG21 :: 0.664 HG22 :: 0.664 HG23 :: 0.664 HD11 :: 0.614 HD12 :: 0.614 HD13 :: 0.614 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 :: 125.479 Ave N Shift Values>> N :: 121.6(4.72) 1.Q104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.32 K 0.19 E 0.11 R 0.02 HN Overlap>> 1.E46 1.E46 C Shift Assignments>> C :: 175.333 CA :: 55.021 CB :: 30.698 CG :: 33.540 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 :: 8.757 HA :: 4.445 HB2 :: 1.967 HB3 :: 1.535 HG2 :: 2.037 HG3 :: 2.037 HE21 :: 6.623 HE22 :: 6.900 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 126.875 NE2 :: 110.307 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.41 C 0.39 K 0.07 I 0.05 Q 0.05 C Shift Assignments>> C :: 176.534 CA :: 57.138 CB :: 30.519 CG :: 36.189 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 :: 8.704 HA :: 4.113 HB2 :: 1.724 HB3 :: 1.879 HG2 :: 2.012 HG3 :: 2.012 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 :: 121.944 Ave N Shift Values>> N :: 120.68(3.68) 1.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.498 CA :: 58.093 CB :: 64.087 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.594 HA :: 4.514 HB2 :: 3.879 HB3 :: 3.935 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 :: 116.398 Ave N Shift Values>> N :: 116.3(3.95) 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 :: 174.574 CA :: 58.323 CB :: 64.084 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.408 HA :: 4.547 HB2 :: 3.880 HB3 :: 3.880 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 :: 117.581 Ave N Shift Values>> N :: 116.3(3.95) 1.G108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.44 L 0.21 R 0.17 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.676 CA :: 44.478 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.169 HA2 :: 3.898 HA3 :: 3.970 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.557 Ave N Shift Values>> N :: 109.91(4.29) 1.P109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.383 CA :: 63.138 CB :: 32.146 CG :: 27.042 CD :: 49.770 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 :: 4.457 HB2 :: 1.968 HB3 :: 2.285 HG2 :: 2.003 HG3 :: 2.003 HD2 :: 3.513 HD3 :: 3.577 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.S110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.717 CA :: 58.338 CB :: 63.905 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.514 HA :: 4.513 HB2 :: 3.914 HB3 :: 3.914 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 :: 116.520 Ave N Shift Values>> N :: 116.3(3.95) 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 :: 173.960 CA :: 58.419 CB :: 64.144 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.335 HA :: 4.512 HB2 :: 3.905 HB3 :: 3.905 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 :: 117.961 Ave N Shift Values>> N :: 116.3(3.95) 1.G112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 C 0.11 L 0.05 C Shift Assignments>> C :: 179.029 CA :: 46.230 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.046 HA2 :: 3.766 HA3 :: 3.800 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.924 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 110 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 106 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 112 #Suspicious: 0 C Shift Results: #Consistent: 451 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 720 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 112 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L74 HB3 = -1.023(S), Expected = 1.57, Std = 0.3600, ChiSquare = 5.8998e-13 1.F90 CE2 = 127.153(S), Expected = 130.60, Std = 0.9700, ChiSquare = 3.7998e-04