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: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.M8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 C 0.39 A 0.13 HN Overlap>> 1.D58 1.D58 C Shift Assignments>> C :: 176.400 CA :: 55.541 CB :: 33.110 CG :: 32.020 CE :: 16.989 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 8.236 HA :: 4.548 HB2 :: 2.092 HB3 :: 2.006 HG2 :: 2.585 HG3 :: 2.517 HE1 :: 2.091 HE2 :: 2.091 HE3 :: 2.091 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 119.831 Ave N Shift Values>> N :: 120.1(3.88) 1.T9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.93 C 0.06 C Shift Assignments>> C :: 174.433 CA :: 61.966 CB :: 69.974 CG2 :: 21.554 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.232 HA :: 4.378 HB :: 4.150 HG21 :: 1.213 HG22 :: 1.213 HG23 :: 1.213 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.505 Ave N Shift Values>> N :: 115.7(5.05) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.72 C 0.27 C Shift Assignments>> C :: 176.012 CA :: 62.117 CB :: 32.874 CG1 :: 21.138 CG2 :: 20.324 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 :: 8.268 HA :: 4.206 HB :: 2.103 HG11 :: 0.857 HG12 :: 0.857 HG13 :: 0.857 HG21 :: 0.930 HG22 :: 0.930 HG23 :: 0.930 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 :: 122.697 Ave N Shift Values>> N :: 121.02(4.96) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Y103 1.Y103 C Shift Assignments>> C :: 174.482 CA :: 58.222 CB :: 64.125 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.424 HA :: 4.537 HB2 :: 3.873 HB3 :: 3.873 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 119.663 Ave N Shift Values>> N :: 116.3(3.95) 1.G12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.53 L 0.18 R 0.13 C 0.1 F 0.01 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.908 CA :: 44.654 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.266 HA2 :: 4.118 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.851 Ave N Shift Values>> N :: 109.91(4.29) 1.P13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.15 R 0.03 I 0.01 K 0.01 C Shift Assignments>> C :: 177.614 CA :: 63.486 CB :: 32.145 CG :: 27.239 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 :: 4.401 HB2 :: 1.964 HB3 :: 2.285 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.G14 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 :: 173.972 CA :: 45.219 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.513 HA2 :: 3.951 HA3 :: 3.951 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.739 Ave N Shift Values>> N :: 109.91(4.29) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 172.879 CA :: 59.724 CB :: 69.799 CG2 :: 20.850 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.029 HA :: 4.586 HB :: 4.139 HG21 :: 1.220 HG22 :: 1.220 HG23 :: 1.220 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 116.428 Ave N Shift Values>> N :: 115.7(5.05) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> CA :: 63.099 CB :: 32.136 CG :: 27.411 CD :: 51.073 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 :: 4.432 HD2 :: 3.846 HD3 :: 3.704 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.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 K 0.11 M 0.09 Q 0.07 I 0.01 C Shift Assignments>> CA :: 54.333 CB :: 29.755 CG :: 36.029 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 :: 8.471 HA :: 4.532 HB2 :: 2.017 HB3 :: 1.892 HG2 :: 2.309 HG3 :: 2.309 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 123.028 Ave N Shift Values>> N :: 120.68(3.68) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.667 CA :: 63.051 CB :: 32.100 CG :: 27.321 CD :: 50.683 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 :: 4.435 HB2 :: 2.290 HB3 :: 1.895 HD2 :: 3.813 HD3 :: 3.675 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.R19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.49 C 0.31 G 0.1 K 0.06 L 0.02 C Shift Assignments>> C :: 174.239 CA :: 53.710 CB :: 30.279 CG :: 26.811 CD :: 43.337 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 :: 8.422 HA :: 4.609 HB2 :: 1.833 HB3 :: 1.715 HG2 :: 1.693 HD2 :: 3.212 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 :: 122.588 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.P20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 176.522 CA :: 63.015 CB :: 32.143 CG :: 27.431 CD :: 50.597 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 :: 4.406 HB2 :: 1.885 HB3 :: 2.284 HG2 :: 1.999 HG3 :: 1.999 HD2 :: 3.792 HD3 :: 3.606 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.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.19 C 0.02 C Shift Assignments>> C :: 177.760 CA :: 52.373 CB :: 19.249 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.484 HA :: 4.326 HB1 :: 1.376 HB2 :: 1.376 HB3 :: 1.376 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.820 Ave N Shift Values>> N :: 123.23(3.7) 1.T22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 173.001 CA :: 59.632 CB :: 69.808 CG2 :: 20.927 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.219 HA :: 4.585 HB :: 4.150 HG21 :: 1.221 HG22 :: 1.221 HG23 :: 1.221 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.934 Ave N Shift Values>> N :: 115.7(5.05) 1.P23 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 :: 177.687 CA :: 63.615 CB :: 31.993 CG :: 26.992 CD :: 51.051 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 :: 4.405 HB2 :: 2.008 HB3 :: 2.302 HD2 :: 3.847 HD3 :: 3.704 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.G24 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 :: 173.923 CA :: 45.182 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.519 HA2 :: 3.947 HA3 :: 3.947 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.460 Ave N Shift Values>> N :: 109.91(4.29) 1.A25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.19 C 0.02 L 0.01 C Shift Assignments>> C :: 177.906 CA :: 52.521 CB :: 19.489 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.126 HA :: 4.360 HB1 :: 1.393 HB2 :: 1.393 HB3 :: 1.393 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.705 Ave N Shift Values>> N :: 123.23(3.7) 1.S26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.Q62 1.Q62 C Shift Assignments>> C :: 173.875 CA :: 58.098 CB :: 64.125 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.331 HA :: 4.586 HB2 :: 3.843 HB3 :: 3.843 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.465 Ave N Shift Values>> N :: 116.3(3.95) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 HN Overlap>> 1.V126 1.V126 C Shift Assignments>> C :: 174.676 CA :: 57.588 CB :: 65.365 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.229 HA :: 4.653 HB2 :: 3.966 HB3 :: 4.196 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 :: 116.763 Ave N Shift Values>> N :: 116.3(3.95) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 C Shift Assignments>> C :: 177.274 CA :: 67.403 CB :: 32.026 CG1 :: 23.750 CG2 :: 21.166 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 :: 8.739 HA :: 3.486 HB :: 2.107 HG11 :: 1.168 HG12 :: 1.168 HG13 :: 1.168 HG21 :: 0.906 HG22 :: 0.906 HG23 :: 0.906 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 :: 122.542 Ave N Shift Values>> N :: 121.02(4.96) 1.E29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.32 I 0.2 K 0.08 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.707 CA :: 59.632 CB :: 29.356 CG :: 36.054 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 :: 8.337 HA :: 3.993 HB2 :: 1.958 HB3 :: 2.143 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 :: 118.206 Ave N Shift Values>> N :: 120.68(3.68) 1.Q30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.24 Q 0.23 E 0.09 R 0.08 M 0.02 I 0.02 C Shift Assignments>> C :: 178.901 CA :: 58.975 CB :: 28.507 CG :: 33.611 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 :: 7.918 HA :: 3.986 HB2 :: 2.178 HB3 :: 2.114 HG2 :: 2.402 HG3 :: 2.402 HE21 :: 6.849 HE22 :: 7.744 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.905 NE2 :: 112.458 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 L 0.33 R 0.22 G 0.06 HN Overlap>> 1.L122 1.L122 C Shift Assignments>> C :: 179.120 CA :: 57.870 CB :: 43.035 CG :: 27.644 CD1 :: 22.662 CD2 :: 25.597 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 :: 8.096 HA :: 4.095 HB2 :: 1.835 HB3 :: 1.502 HG :: 1.696 HD11 :: 0.904 HD12 :: 0.904 HD13 :: 0.904 HD21 :: 0.728 HD22 :: 0.728 HD23 :: 0.728 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 :: 121.084 Ave N Shift Values>> N :: 121.98(4.07) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.37 G 0.15 K 0.05 HN Overlap>> 1.R105 1.N36 1.R105 1.N36 C Shift Assignments>> C :: 177.736 CA :: 60.584 CB :: 30.690 CG :: 27.842 CD :: 43.627 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 :: 8.788 HA :: 3.871 HB2 :: 2.157 HB3 :: 1.757 HG2 :: 1.645 HG3 :: 1.492 HD2 :: 3.038 HD3 :: 3.289 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 :: 120.053 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.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.22 M 0.01 G 0.01 C Shift Assignments>> C :: 179.362 CA :: 60.327 CB :: 32.255 CG :: 25.639 CD :: 29.695 CE :: 42.086 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 :: 7.983 HA :: 3.985 HB2 :: 1.971 HB3 :: 1.971 HG2 :: 1.405 HG3 :: 1.673 HD2 :: 1.701 HE2 :: 2.973 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 :: 118.694 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.32 I 0.18 K 0.08 Q 0.04 M 0.02 C Shift Assignments>> C :: 179.848 CA :: 59.403 CB :: 29.378 CG :: 36.049 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 :: 8.358 HA :: 3.999 HB2 :: 2.121 HB3 :: 1.978 HG2 :: 2.362 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 :: 120.794 Ave N Shift Values>> N :: 120.68(3.68) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 C 0.27 P 0.15 A 0.07 N 0.02 L 0.01 D 0.01 C Shift Assignments>> C :: 174.531 CA :: 47.931 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.795 HA2 :: 3.018 HA3 :: 3.306 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.818 Ave N Shift Values>> N :: 109.91(4.29) 1.N36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 E 0.18 Y 0.16 N 0.13 F 0.09 M 0.05 D 0.03 I 0.02 K 0.02 HN Overlap>> 1.R32 1.R105 1.R32 1.R105 C Shift Assignments>> C :: 178.658 CA :: 55.636 CB :: 37.219 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 :: 8.722 HA :: 4.473 HB2 :: 3.249 HB3 :: 2.927 HD21 :: 7.875 HD22 :: 6.941 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 :: 120.101 ND2 :: 110.895 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.29 I 0.18 K 0.1 Q 0.05 M 0.01 C Shift Assignments>> C :: 179.387 CA :: 59.346 CB :: 28.832 CG :: 35.922 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 :: 8.234 HA :: 4.143 HB2 :: 2.171 HG2 :: 2.373 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.435 Ave N Shift Values>> N :: 120.68(3.68) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.49 C 0.46 R 0.02 C Shift Assignments>> C :: 178.828 CA :: 58.011 CB :: 40.768 CG :: 26.617 CD1 :: 25.857 CD2 :: 22.322 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 :: 8.203 HA :: 4.120 HB2 :: 1.721 HB3 :: 1.594 HG :: 1.779 HD11 :: 0.575 HD12 :: 0.575 HD13 :: 0.575 HD21 :: 0.884 HD22 :: 0.884 HD23 :: 0.884 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 :: 121.872 Ave N Shift Values>> N :: 121.98(4.07) 1.F39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.71 C 0.28 C Shift Assignments>> C :: 179.460 CA :: 62.297 CB :: 39.838 CD1 :: 132.329 CD2 :: 132.329 CE1 :: 131.620 CE2 :: 131.620 CZ :: 130.201 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 :: 8.972 HA :: 3.588 HB2 :: 3.468 HB3 :: 3.185 HD1 :: 7.455 HD2 :: 7.455 HE1 :: 7.296 HE2 :: 7.296 HZ :: 7.293 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 :: 121.270 Ave N Shift Values>> N :: 120.69(4.18) 1.K40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.37 R 0.19 M 0.02 G 0.01 HN Overlap>> 1.A65 1.A65 C Shift Assignments>> C :: 177.930 CA :: 59.562 CB :: 32.505 CG :: 25.184 CD :: 29.612 CE :: 42.094 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 :: 8.201 HA :: 4.076 HB2 :: 2.107 HB3 :: 2.107 HG2 :: 1.756 HG3 :: 1.586 HD2 :: 1.768 HD3 :: 1.768 HE2 :: 2.995 HE3 :: 2.995 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.588 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.C41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.18 I 0.18 C 0.15 K 0.11 Q 0.11 E 0.08 H 0.08 L 0.06 C Shift Assignments>> C :: 174.700 CA :: 59.047 CB :: 27.571 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.471 HA :: 4.566 HB2 :: 3.056 HB3 :: 3.017 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 :: 113.444 Ave N Shift Values>> N :: 119.95(4.79) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.48 L 0.2 R 0.15 C 0.1 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 172.685 CA :: 44.548 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.554 HA2 :: 2.768 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 :: 108.685 Ave N Shift Values>> N :: 109.91(4.29) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.59 C 0.18 D 0.13 Y 0.03 F 0.02 L 0.01 HN Overlap>> 1.L128 1.L128 C Shift Assignments>> C :: 175.915 CA :: 50.856 CB :: 38.561 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 :: 7.853 HA :: 4.650 HB2 :: 2.741 HB3 :: 2.243 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 :: 120.770 Ave N Shift Values>> N :: 120.73(4.2) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.62 C 0.37 C Shift Assignments>> C :: 178.367 CA :: 61.314 CB :: 37.584 CD1 :: 132.297 CD2 :: 132.297 CE1 :: 119.270 CE2 :: 119.270 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 :: 6.938 HA :: 4.162 HB2 :: 3.009 HB3 :: 2.690 HD1 :: 6.882 HD2 :: 6.882 HE1 :: 6.222 HE2 :: 6.222 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.298 Ave N Shift Values>> N :: 120.79(4.69) 1.G45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 C 0.15 L 0.04 C Shift Assignments>> C :: 177.371 CA :: 46.768 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.126 HA2 :: 3.837 HA3 :: 3.998 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.512 Ave N Shift Values>> N :: 109.91(4.29) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 C 0.21 L 0.03 A 0.01 P 0.01 C Shift Assignments>> C :: 177.153 CA :: 47.262 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.373 HA2 :: 3.604 HA3 :: 3.813 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 113.770 Ave N Shift Values>> N :: 109.91(4.29) 1.A47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.3 I 0.04 C 0.03 V 0.01 C Shift Assignments>> C :: 177.493 CA :: 55.640 CB :: 18.525 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.514 HA :: 3.737 HB1 :: 1.602 HB2 :: 1.602 HB3 :: 1.602 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.047 Ave N Shift Values>> N :: 123.23(3.7) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.34 R 0.08 G 0.02 C Shift Assignments>> C :: 180.237 CA :: 58.716 CB :: 42.374 CG :: 26.911 CD1 :: 25.292 CD2 :: 24.503 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 :: 8.311 HA :: 4.003 HB2 :: 1.825 HB3 :: 1.825 HG :: 1.665 HD11 :: 0.762 HD12 :: 0.762 HD13 :: 0.762 HD21 :: 0.698 HD22 :: 0.698 HD23 :: 0.698 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 117.848 Ave N Shift Values>> N :: 121.98(4.07) 1.A49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.28 I 0.05 C 0.02 C Shift Assignments>> C :: 179.994 CA :: 55.494 CB :: 17.790 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.813 HA :: 4.133 HB1 :: 1.503 HB2 :: 1.503 HB3 :: 1.503 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.537 Ave N Shift Values>> N :: 123.23(3.7) 1.A50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.7 A 0.2 I 0.06 C 0.02 C Shift Assignments>> C :: 179.994 CA :: 55.575 CB :: 16.869 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.624 HA :: 4.146 HB1 :: 1.263 HB2 :: 1.263 HB3 :: 1.263 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.869 Ave N Shift Values>> N :: 123.23(3.7) 1.Y51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.56 C 0.43 HN Overlap>> 1.K131 1.K131 C Shift Assignments>> C :: 178.440 CA :: 58.564 CB :: 38.481 CD1 :: 132.041 CD2 :: 132.041 CE1 :: 117.689 CE2 :: 117.689 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 :: 8.495 HA :: 4.348 HB2 :: 3.028 HB3 :: 2.854 HD1 :: 6.793 HD2 :: 6.793 HE1 :: 6.666 HE2 :: 6.666 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 :: 115.230 Ave N Shift Values>> N :: 120.79(4.69) 1.T52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.279 CA :: 67.296 CB :: 68.753 CG2 :: 20.863 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.481 HA :: 3.845 HB :: 4.432 HG21 :: 1.218 HG22 :: 1.218 HG23 :: 1.218 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.079 Ave N Shift Values>> N :: 115.7(5.05) 1.Q53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 Q 0.22 K 0.22 E 0.13 R 0.05 I 0.04 M 0.01 C Shift Assignments>> C :: 179.630 CA :: 59.106 CB :: 28.369 CG :: 34.162 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 :: 8.209 HA :: 3.999 HB2 :: 2.106 HB3 :: 2.285 HG2 :: 2.506 HG3 :: 2.285 HE21 :: 7.265 HE22 :: 6.839 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 :: 123.293 NE2 :: 110.558 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.4 C 0.04 I 0.02 V 0.01 HN Overlap>> 1.A138 1.A138 C Shift Assignments>> C :: 178.294 CA :: 55.121 CB :: 18.923 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.059 HA :: 3.908 HB1 :: 1.645 HB2 :: 1.645 HB3 :: 1.645 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.085 Ave N Shift Values>> N :: 123.23(3.7) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.34 R 0.06 G 0.02 C Shift Assignments>> C :: 177.930 CA :: 56.601 CB :: 42.456 CG :: 27.420 CD1 :: 24.044 CD2 :: 23.671 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 :: 7.506 HA :: 3.961 HB2 :: 1.505 HB3 :: 1.859 HG :: 1.538 HD11 :: 0.385 HD12 :: 0.385 HD13 :: 0.385 HD21 :: 0.582 HD22 :: 0.582 HD23 :: 0.582 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 :: 115.991 Ave N Shift Values>> N :: 121.98(4.07) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.11 C 0.08 R 0.05 C Shift Assignments>> C :: 174.093 CA :: 45.147 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.558 HA2 :: 3.731 HA3 :: 4.291 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.000 Ave N Shift Values>> N :: 109.91(4.29) 1.L57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.21 A 0.13 R 0.05 G 0.01 C Shift Assignments>> C :: 175.963 CA :: 53.419 CB :: 41.948 CG :: 26.565 CD1 :: 26.311 CD2 :: 22.378 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 :: 7.228 HA :: 4.598 HB2 :: 1.542 HB3 :: 1.885 HG :: 1.789 HD11 :: 0.796 HD12 :: 0.796 HD13 :: 0.796 HD21 :: 0.829 HD22 :: 0.829 HD23 :: 0.829 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.906 Ave N Shift Values>> N :: 121.98(4.07) 1.D58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 N 0.22 C 0.15 Y 0.12 F 0.11 L 0.09 K 0.01 I 0.01 HN Overlap>> 1.M8 1.M8 C Shift Assignments>> C :: 175.477 CA :: 54.516 CB :: 39.651 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 :: 8.223 HA :: 4.572 HB2 :: 2.689 HB3 :: 2.600 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.833 Ave N Shift Values>> N :: 120.73(4.2) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.8 M 0.12 C 0.04 L 0.02 C Shift Assignments>> C :: 178.003 CA :: 51.209 CB :: 20.380 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.859 HA :: 4.714 HB1 :: 1.395 HB2 :: 1.395 HB3 :: 1.395 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.625 Ave N Shift Values>> N :: 123.23(3.7) 1.T60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.12 C Shift Assignments>> C :: 173.802 CA :: 60.767 CB :: 68.610 CG2 :: 22.066 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 :: 9.249 HA :: 4.632 HB :: 4.798 HG21 :: 1.499 HG22 :: 1.499 HG23 :: 1.499 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.374 Ave N Shift Values>> N :: 115.7(5.05) 1.P61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.78 C 0.21 C Shift Assignments>> C :: 178.488 CA :: 66.261 CB :: 31.772 CG :: 28.310 CD :: 50.256 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 :: 4.283 HB2 :: 2.437 HB3 :: 2.013 HG2 :: 2.286 HG3 :: 2.108 HD2 :: 3.993 HD3 :: 3.937 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.Q62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 K 0.17 Q 0.16 E 0.14 I 0.11 R 0.04 P 0.02 HN Overlap>> 1.S26 1.S26 C Shift Assignments>> C :: 178.658 CA :: 59.879 CB :: 27.914 CG :: 34.566 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 :: 8.266 HA :: 4.055 HB2 :: 2.111 HB3 :: 2.016 HG2 :: 2.536 HG3 :: 2.438 HE21 :: 7.623 HE22 :: 6.972 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 115.450 NE2 :: 112.617 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.17 K 0.15 C 0.14 L 0.12 D 0.09 I 0.04 R 0.03 N 0.01 C Shift Assignments>> C :: 179.338 CA :: 57.412 CB :: 40.891 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 :: 7.777 HA :: 4.425 HB2 :: 2.985 HB3 :: 2.308 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 :: 120.523 Ave N Shift Values>> N :: 120.73(4.2) 1.Q64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 K 0.19 Q 0.18 E 0.15 I 0.08 R 0.03 P 0.01 M 0.01 C Shift Assignments>> C :: 177.226 CA :: 59.591 CB :: 28.298 CG :: 34.514 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 :: 8.808 HA :: 3.691 HB2 :: 2.344 HB3 :: 1.969 HG2 :: 2.521 HG3 :: 2.230 HE21 :: 7.435 HE22 :: 6.907 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 118.416 NE2 :: 112.121 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.15 I 0.1 C 0.05 V 0.03 T 0.01 HN Overlap>> 1.K40 1.K40 C Shift Assignments>> C :: 179.047 CA :: 56.716 CB :: 18.711 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.164 HA :: 4.003 HB1 :: 1.734 HB2 :: 1.734 HB3 :: 1.734 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.663 Ave N Shift Values>> N :: 123.23(3.7) 1.V66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.95 C 0.04 HN Overlap>> 1.K94 1.Q136 1.K94 1.Q136 C Shift Assignments>> C :: 177.687 CA :: 66.328 CB :: 31.986 CG1 :: 22.543 CG2 :: 21.350 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 :: 7.205 HA :: 3.308 HB :: 2.104 HG11 :: 1.091 HG12 :: 1.091 HG13 :: 1.091 HG21 :: 0.817 HG22 :: 0.817 HG23 :: 0.817 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 :: 116.159 Ave N Shift Values>> N :: 121.02(4.96) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.41 R 0.05 C Shift Assignments>> C :: 179.775 CA :: 58.416 CB :: 41.100 CG :: 27.438 CD1 :: 25.344 CD2 :: 23.111 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 :: 7.933 HA :: 3.567 HB2 :: 1.895 HB3 :: 1.015 HG :: 1.772 HD11 :: 0.698 HD12 :: 0.698 HD13 :: 0.698 HD21 :: 0.908 HD22 :: 0.908 HD23 :: 0.908 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 :: 119.293 Ave N Shift Values>> N :: 121.98(4.07) 1.H68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 H 0.07 C Shift Assignments>> C :: 178.124 CA :: 60.609 CB :: 28.075 CD2 :: 127.859 CE1 :: 138.499 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 :: 8.914 HA :: 4.501 HB2 :: 2.985 HB3 :: 3.633 HD2 :: 6.408 HE1 :: 7.888 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.314 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 C 0.36 R 0.18 L 0.01 C Shift Assignments>> C :: 178.780 CA :: 59.844 CB :: 29.484 CG :: 26.349 CD :: 44.859 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 :: 8.468 HA :: 3.820 HB2 :: 1.916 HB3 :: 1.848 HG2 :: 1.520 HG3 :: 1.833 HD2 :: 3.442 HD3 :: 2.916 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 :: 119.428 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.N70 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.26 M 0.18 E 0.17 K 0.12 Q 0.11 Y 0.03 N 0.02 H 0.01 F 0.01 R 0.01 C Shift Assignments>> C :: 178.634 CA :: 55.368 CB :: 35.145 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 :: 8.549 HA :: 4.221 HB2 :: 1.912 HB3 :: 1.743 HD21 :: 6.985 HD22 :: 5.385(S) 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 :: 123.498 ND2 :: 105.930 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.R71 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.75 C 0.19 R 0.04 C Shift Assignments>> C :: 178.124 CA :: 63.167 CB :: 29.160 CG :: 28.405 CD :: 44.790 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 :: 8.678 HA :: 3.956 HB2 :: 2.722(S) HB3 :: 1.557 HG2 :: 2.306 HG3 :: 1.426 HD2 :: 3.096 HD3 :: 2.959 HE :: 7.317 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 :: 121.235 NE :: 83.387 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.A72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.14 I 0.12 C 0.03 V 0.01 C Shift Assignments>> C :: 178.683 CA :: 56.495 CB :: 17.642 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.605 HA :: 4.114 HB1 :: 1.657 HB2 :: 1.657 HB3 :: 1.657 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.110 Ave N Shift Values>> N :: 123.23(3.7) 1.A73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.33 I 0.04 C 0.03 V 0.01 C Shift Assignments>> C :: 180.601 CA :: 55.404 CB :: 18.391 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.553 HA :: 4.125 HB1 :: 1.534 HB2 :: 1.534 HB3 :: 1.534 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.512 Ave N Shift Values>> N :: 123.23(3.7) 1.C74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.49 I 0.41 C 0.05 V 0.02 C Shift Assignments>> C :: 176.206 CA :: 64.248 CB :: 27.745 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.650 HA :: 4.111 HB2 :: 3.458 HB3 :: 2.562 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 :: 116.316 Ave N Shift Values>> N :: 119.95(4.79) 1.H75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.63 H 0.36 C Shift Assignments>> C :: 178.318 CA :: 59.775 CB :: 29.846 CE1 :: 139.906 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 :: 8.424 HA :: 4.445 HB2 :: 3.622 HB3 :: 2.793 HD2 :: 6.150 HE1 :: 7.668 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) 1.L76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.36 R 0.09 G 0.01 C Shift Assignments>> C :: 180.746 CA :: 58.821 CB :: 41.962 CG :: 27.194 CD1 :: 25.391 CD2 :: 23.270 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 :: 8.369 HA :: 3.808 HB2 :: 2.006 HB3 :: 1.614 HG :: 1.839 HD11 :: 0.981 HD12 :: 0.981 HD13 :: 0.981 HD21 :: 0.926 HD22 :: 0.926 HD23 :: 0.926 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.875 Ave N Shift Values>> N :: 121.98(4.07) 1.K77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.33 K 0.32 C 0.31 M 0.01 C Shift Assignments>> C :: 178.658 CA :: 56.811 CB :: 30.993 CG :: 24.407 CD :: 27.968 CE :: 42.155 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 :: 7.262 HA :: 3.903 HB2 :: 1.321 HB3 :: 0.770(S) HG2 :: 0.591 HG3 :: 1.441 HD2 :: 1.278 HD3 :: 1.616 HE2 :: 2.947 HE3 :: 2.876 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 :: 118.987 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.62 C 0.27 A 0.05 R 0.03 HN Overlap>> 1.N132 1.N132 C Shift Assignments>> C :: 175.259 CA :: 55.023 CB :: 41.666 CG :: 26.495 CD1 :: 25.499 CD2 :: 22.646 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 :: 7.581 HA :: 4.239 HB2 :: 1.759 HG :: 1.585 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 HD21 :: 1.008 HD22 :: 1.008 HD23 :: 1.008 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.375 Ave N Shift Values>> N :: 121.98(4.07) 1.E79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 I 0.19 E 0.1 K 0.09 L 0.01 M 0.01 C Shift Assignments>> C :: 173.802 CA :: 57.387 CB :: 26.101 CG :: 36.803 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 :: 7.481 HA :: 2.922 HB2 :: 2.043 HB3 :: 2.272 HG2 :: 2.053 HG3 :: 2.184 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 :: 113.560 Ave N Shift Values>> N :: 120.68(3.68) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.28 C 0.13 L 0.06 F 0.04 Y 0.03 HN Overlap>> 1.E129 1.E129 C Shift Assignments>> C :: 176.424 CA :: 51.350 CB :: 39.946 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 :: 8.139 HA :: 4.841 HB2 :: 2.274 HB3 :: 2.861 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.558 Ave N Shift Values>> N :: 120.73(4.2) 1.Y81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.37 C Shift Assignments>> C :: 177.056 CA :: 61.632 CB :: 37.069 CD1 :: 132.270 CD2 :: 132.270 CE1 :: 118.832 CE2 :: 118.832 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 :: 7.216 HA :: 4.008 HB2 :: 3.191 HB3 :: 2.736 HD1 :: 7.018 HD2 :: 7.018 HE1 :: 6.935 HE2 :: 6.935 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 121.112 Ave N Shift Values>> N :: 120.79(4.69) 1.D82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 Y 0.16 K 0.16 C 0.14 L 0.13 D 0.09 I 0.04 R 0.03 N 0.01 C Shift Assignments>> C :: 178.658 CA :: 57.447 CB :: 40.973 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 :: 8.554 HA :: 4.430 HB2 :: 2.658 HB3 :: 2.658 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 :: 118.573 Ave N Shift Values>> N :: 120.73(4.2) 1.K83 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.36 R 0.31 K 0.29 G 0.01 C Shift Assignments>> C :: 178.731 CA :: 59.194 CB :: 30.554 CG :: 25.945 CD :: 29.482 CE :: 42.094 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 :: 7.297 HA :: 3.915 HB2 :: 0.600(S) HB3 :: 0.342(S) HG2 :: 1.342 HG3 :: 1.019 HD2 :: 1.374 HD3 :: 1.298 HE2 :: 2.965 HE3 :: 2.874 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 :: 118.702 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.24 C 0.05 I 0.04 V 0.04 L 0.01 T 0.01 HN Overlap>> 1.I92 1.I92 C Shift Assignments>> C :: 178.634 CA :: 56.072 CB :: 19.356 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.950 HA :: 4.051 HB1 :: 1.525 HB2 :: 1.525 HB3 :: 1.525 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.895 Ave N Shift Values>> N :: 123.23(3.7) 1.E85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 C 0.3 E 0.17 K 0.03 HN Overlap>> 1.L139 1.L139 C Shift Assignments>> C :: 178.440 CA :: 61.429 CB :: 28.768 CG :: 36.485 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 :: 8.106 HA :: 3.682 HB2 :: 2.489 HB3 :: 1.849 HG2 :: 1.955 HG3 :: 2.234 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 :: 118.258 Ave N Shift Values>> N :: 120.68(3.68) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 177.711 CA :: 66.575 CB :: 68.738 CG2 :: 21.719 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 :: 7.974 HA :: 3.801 HB :: 4.170 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 115.710 Ave N Shift Values>> N :: 115.7(5.05) 1.E87 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.42 C 0.4 E 0.14 C Shift Assignments>> C :: 178.294 CA :: 59.183 CB :: 29.430 CG :: 38.759 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 :: 8.461 HA :: 3.867 HB2 :: 2.971(S) HB3 :: 1.921 HG2 :: 2.381 HG3 :: 2.513 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 :: 120.547 Ave N Shift Values>> N :: 120.68(3.68) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.67 A 0.21 I 0.07 C 0.02 C Shift Assignments>> C :: 179.897 CA :: 55.797 CB :: 17.400 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.520 HA :: 3.825 HB1 :: 1.453 HB2 :: 1.453 HB3 :: 1.453 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.680 Ave N Shift Values>> N :: 123.23(3.7) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 176.400 CA :: 63.273 CB :: 62.608 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.636 HA :: 4.128 HB2 :: 3.776 HB3 :: 4.153 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 :: 113.993 Ave N Shift Values>> N :: 116.3(3.95) 1.K90 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.35 C 0.33 R 0.27 M 0.01 C Shift Assignments>> C :: 178.950 CA :: 58.897 CB :: 31.062 CG :: 24.924 CD :: 28.857 CE :: 42.127 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 :: 7.707 HA :: 3.845 HB2 :: 1.322 HB3 :: 0.652(S) HG2 :: 1.231 HG3 :: 1.131 HD2 :: 1.272 HD3 :: 1.272 HE2 :: 2.754 HE3 :: 2.754 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 123.038 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.57 A 0.29 I 0.04 C 0.04 V 0.02 C Shift Assignments>> C :: 178.950 CA :: 55.770 CB :: 18.810 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.446 HA :: 4.051 HB1 :: 1.666 HB2 :: 1.666 HB3 :: 1.666 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 120.929 Ave N Shift Values>> N :: 123.23(3.7) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.79 C 0.2 HN Overlap>> 1.A84 1.A84 C Shift Assignments>> C :: 177.638 CA :: 63.275 CB :: 39.316 CG1 :: 30.695 CG2 :: 17.686 CD1 :: 14.041 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 :: 7.949 HA :: 3.789 HB :: 1.657 HG12 :: 1.752 HG13 :: 0.811 HG21 :: 0.881 HG22 :: 0.881 HG23 :: 0.881 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 :: 119.852 Ave N Shift Values>> N :: 121.6(4.72) 1.E93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.15 K 0.06 M 0.04 Q 0.02 C Shift Assignments>> C :: 178.415 CA :: 58.779 CB :: 29.867 CG :: 36.466 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 :: 7.850 HA :: 3.895 HB2 :: 2.038 HB3 :: 2.038 HG2 :: 2.184 HG3 :: 2.364 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 :: 118.794 Ave N Shift Values>> N :: 120.68(3.68) 1.K94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.35 R 0.24 G 0.01 M 0.01 HN Overlap>> 1.V66 1.V66 C Shift Assignments>> C :: 176.740 CA :: 57.040 CB :: 33.204 CG :: 25.653 CD :: 28.776 CE :: 42.586 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 :: 7.130 HA :: 4.202 HB2 :: 1.962 HB3 :: 1.962 HG2 :: 1.654 HG3 :: 1.551 HD2 :: 1.815 HD3 :: 1.599 HE2 :: 3.061 HE3 :: 2.972 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 :: 116.229 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.19 K 0.11 C 0.1 N 0.1 F 0.07 Y 0.05 R 0.03 C Shift Assignments>> C :: 175.162 CA :: 53.852 CB :: 41.290 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 :: 8.030 HA :: 4.575 HB2 :: 2.480 HB3 :: 2.921 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 119.101 Ave N Shift Values>> N :: 120.73(4.2) 1.G96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.14 L 0.04 C Shift Assignments>> C :: 174.312 CA :: 46.663 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.594 HA2 :: 3.718 HA3 :: 4.144 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.267 Ave N Shift Values>> N :: 109.91(4.29) 1.G97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.38 L 0.22 R 0.2 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 173.948 CA :: 44.336 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.282 HA2 :: 3.542 HA3 :: 4.332 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.324 Ave N Shift Values>> N :: 109.91(4.29) 1.D98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.21 L 0.13 C 0.12 F 0.08 Y 0.07 K 0.04 C Shift Assignments>> C :: 175.890 CA :: 53.605 CB :: 40.396 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 :: 7.127 HA :: 4.516 HB2 :: 2.580 HB3 :: 2.930 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 :: 118.990 Ave N Shift Values>> N :: 120.73(4.2) 1.V99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 177.226 CA :: 64.783 CB :: 31.910 CG1 :: 23.367 CG2 :: 21.713 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 :: 8.044 HA :: 3.843 HB :: 2.205 HG11 :: 1.130 HG12 :: 1.130 HG13 :: 1.130 HG21 :: 1.197 HG22 :: 1.197 HG23 :: 1.197 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.437 Ave N Shift Values>> N :: 121.02(4.96) 1.K100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.31 R 0.28 G 0.01 C Shift Assignments>> C :: 179.484 CA :: 59.938 CB :: 32.385 CG :: 26.474 CD :: 29.465 CE :: 42.068 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 :: 8.048 HA :: 4.204 HB2 :: 1.670 HB3 :: 1.931 HG2 :: 1.512 HG3 :: 1.684 HE2 :: 3.013 HE3 :: 3.013 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.165 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.31 C 0.05 V 0.02 I 0.02 L 0.02 T 0.01 C Shift Assignments>> C :: 179.095 CA :: 55.607 CB :: 19.443 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.096 HA :: 3.787 HB1 :: 1.470 HB2 :: 1.470 HB3 :: 1.470 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.650 Ave N Shift Values>> N :: 123.23(3.7) 1.L102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.36 C 0.31 G 0.21 R 0.11 C Shift Assignments>> C :: 178.173 CA :: 58.334 CB :: 44.156 CG :: 27.559 CD1 :: 25.335 CD2 :: 24.531 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 :: 7.998 HA :: 3.778 HB2 :: 1.774 HB3 :: 1.173 HG :: 1.436 HD11 :: 0.699 HD12 :: 0.699 HD13 :: 0.699 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 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 :: 119.476 Ave N Shift Values>> N :: 121.98(4.07) 1.Y103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.63 C 0.36 HN Overlap>> 1.S11 1.S11 C Shift Assignments>> C :: 179.872 CA :: 60.619 CB :: 38.409 CD1 :: 132.882 CD2 :: 132.882 CE1 :: 117.953 CE2 :: 117.953 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 :: 8.441 HA :: 4.068 HB2 :: 3.217 HB3 :: 3.018 HD1 :: 7.077 HD2 :: 7.077 HE1 :: 6.705 HE2 :: 6.705 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 :: 119.662 Ave N Shift Values>> N :: 120.79(4.69) 1.R104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.42 C 0.37 G 0.14 K 0.03 L 0.01 HN Overlap>> 1.E110 1.E110 C Shift Assignments>> C :: 178.148 CA :: 58.998 CB :: 29.461 CG :: 27.973 CD :: 43.793 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 :: 8.264 HA :: 4.000 HB2 :: 1.618 HG2 :: 1.945 HD2 :: 3.126 HD3 :: 2.809 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 :: 119.395 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.R105 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.71 C 0.23 R 0.04 HN Overlap>> 1.R32 1.R32 1.N36 1.N36 C Shift Assignments>> C :: 178.828 CA :: 62.085 CB :: 29.985 CG :: 28.250 CD :: 45.307 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 :: 8.768 HA :: 3.611 HB2 :: 2.533 HB3 :: 1.529 HG2 :: 1.992 HG3 :: 1.507 HD2 :: 3.408 HD3 :: 2.772 HE :: 10.302(S) 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 :: 120.101 NE :: 86.181 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.S106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.21 P 0.21 T 0.19 I 0.15 S 0.15 C 0.02 F 0.02 Y 0.01 C Shift Assignments>> CB :: 62.975 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.566 HB2 :: 3.950 HB3 :: 4.143 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 :: 116.418 Ave N Shift Values>> N :: 116.3(3.95) 1.Q107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 E 0.23 Q 0.18 K 0.15 M 0.08 I 0.04 R 0.01 C Shift Assignments>> C :: 178.998 CA :: 58.821 CB :: 29.949 CG :: 34.651 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 :: 7.400 HA :: 3.988 HB2 :: 1.872 HB3 :: 2.256 HG2 :: 1.934 HG3 :: 1.885 HE21 :: 6.590 HE22 :: 6.561 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 :: 121.593 NE2 :: 110.898 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 A 0.35 I 0.03 C 0.03 C Shift Assignments>> C :: 178.658 CA :: 55.297 CB :: 18.406 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.676 HA :: 3.877 HB1 :: 1.624 HB2 :: 1.624 HB3 :: 1.624 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.183 Ave N Shift Values>> N :: 123.23(3.7) 1.L109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.4 R 0.1 K 0.01 C Shift Assignments>> C :: 179.290 CA :: 57.940 CB :: 41.467 CG :: 26.757 CD1 :: 26.970 CD2 :: 23.137 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 :: 8.962 HA :: 3.807 HB2 :: 1.732 HB3 :: 1.561 HG :: 1.722 HD11 :: 0.708 HD12 :: 0.708 HD13 :: 0.708 HD21 :: 0.823 HD22 :: 0.823 HD23 :: 0.823 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.438 Ave N Shift Values>> N :: 121.98(4.07) 1.E110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.3 I 0.23 K 0.07 Q 0.03 M 0.02 HN Overlap>> 1.R104 1.R104 C Shift Assignments>> C :: 180.067 CA :: 60.225 CB :: 29.464 CG :: 36.000 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 :: 8.195 HA :: 3.620 HB2 :: 2.050 HB3 :: 1.903 HG2 :: 2.255 HG3 :: 1.920 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.420 Ave N Shift Values>> N :: 120.68(3.68) 1.K111 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.34 C 0.31 K 0.31 G 0.01 M 0.01 C Shift Assignments>> C :: 178.780 CA :: 57.059 CB :: 30.776 CG :: 24.699 CD :: 27.850 CE :: 42.242 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.065 HA :: 3.804 HB2 :: 1.162 HB3 :: 0.636(S) HG2 :: 1.181 HG3 :: 0.630 HD2 :: 1.473 HD3 :: 1.227 HE2 :: 2.931 HE3 :: 2.814 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 :: 119.349 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.6 C 0.24 G 0.06 R 0.04 A 0.03 C Shift Assignments>> C :: 177.056 CA :: 55.123 CB :: 43.033 CG :: 26.200 CD1 :: 25.235 CD2 :: 23.014 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 :: 7.689 HA :: 4.268 HB2 :: 1.739 HB3 :: 1.636 HG :: 1.688 HD11 :: 0.738 HD12 :: 0.738 HD13 :: 0.738 HD21 :: 0.934 HD22 :: 0.934 HD23 :: 0.934 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.545 Ave N Shift Values>> N :: 121.98(4.07) 1.G113 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 C 0.08 L 0.07 R 0.02 C Shift Assignments>> C :: 174.846 CA :: 45.570 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.742 HA2 :: 3.690 HA3 :: 4.205 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.623 Ave N Shift Values>> N :: 109.91(4.29) 1.R114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 G 0.27 R 0.26 L 0.16 K 0.03 C Shift Assignments>> C :: 176.352 CA :: 54.028 CB :: 28.770 CG :: 26.561 CD :: 44.237 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 :: 8.136 HA :: 4.680 HB2 :: 1.929 HB3 :: 1.579 HG2 :: 1.575 HG3 :: 1.451 HD2 :: 3.097 HD3 :: 3.097 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.140 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.L115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.48 C 0.42 R 0.08 C Shift Assignments>> C :: 178.270 CA :: 58.325 CB :: 41.320 CG :: 27.993 CD1 :: 24.941 CD2 :: 23.756 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 :: 7.558 HA :: 3.737 HB2 :: 1.777 HB3 :: 1.584 HG :: 1.652 HD11 :: 0.979 HD12 :: 0.979 HD13 :: 0.979 HD21 :: 0.907 HD22 :: 0.907 HD23 :: 0.907 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 :: 120.893 Ave N Shift Values>> N :: 121.98(4.07) 1.D116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.26 F 0.22 C 0.21 D 0.07 I 0.07 N 0.04 L 0.04 E 0.04 C Shift Assignments>> C :: 179.120 CA :: 57.024 CB :: 38.941 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 :: 8.557 HA :: 4.200 HB2 :: 2.703 HB3 :: 2.595 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 117.243 Ave N Shift Values>> N :: 120.73(4.2) 1.Q117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.22 K 0.21 E 0.18 I 0.03 R 0.03 M 0.02 C Shift Assignments>> C :: 177.833 CA :: 58.154 CB :: 28.708 CG :: 34.492 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 :: 7.816 HA :: 3.937 HB2 :: 2.004 HB3 :: 2.068 HG2 :: 2.330 HG3 :: 2.330 HE21 :: 7.590 HE22 :: 6.918 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.514 NE2 :: 113.509 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 A 0.26 I 0.06 C 0.03 V 0.01 C Shift Assignments>> C :: 179.557 CA :: 55.850 CB :: 18.326 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.036 HA :: 3.835 HB1 :: 1.474 HB2 :: 1.474 HB3 :: 1.474 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.842 Ave N Shift Values>> N :: 123.23(3.7) 1.V119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 177.371 CA :: 67.058 CB :: 31.845 CG1 :: 21.143 CG2 :: 23.909 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 :: 8.236 HA :: 3.447 HB :: 2.140 HG11 :: 0.854 HG12 :: 0.854 HG13 :: 0.854 HG21 :: 1.044 HG22 :: 1.044 HG23 :: 1.044 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 :: 116.905 Ave N Shift Values>> N :: 121.02(4.96) 1.L120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.37 R 0.04 C Shift Assignments>> C :: 180.577 CA :: 58.222 CB :: 41.446 CG :: 26.653 CD1 :: 25.410 CD2 :: 22.872 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 :: 7.165 HA :: 4.060 HB2 :: 1.913 HB3 :: 1.485 HG :: 1.799 HD11 :: 0.876 HD12 :: 0.876 HD13 :: 0.876 HD21 :: 0.868 HD22 :: 0.868 HD23 :: 0.868 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 :: 119.191 Ave N Shift Values>> N :: 121.98(4.07) 1.D121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.26 Y 0.23 C 0.17 L 0.08 I 0.08 K 0.07 D 0.06 N 0.01 C Shift Assignments>> C :: 179.393 CA :: 57.914 CB :: 40.250 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 :: 7.639 HA :: 4.390 HB2 :: 2.563 HB3 :: 2.563 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 :: 120.801 Ave N Shift Values>> N :: 120.73(4.2) 1.L122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 L 0.32 R 0.22 G 0.11 HN Overlap>> 1.L31 1.L31 C Shift Assignments>> C :: 179.338 CA :: 58.429 CB :: 43.630 CG :: 28.098 CD1 :: 25.532 CD2 :: 23.421 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 :: 8.090 HA :: 3.987 HB2 :: 2.022 HB3 :: 1.328 HG :: 1.808 HD11 :: 0.836 HD12 :: 0.836 HD13 :: 0.836 HD21 :: 1.128 HD22 :: 1.128 HD23 :: 1.128 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 :: 121.094 Ave N Shift Values>> N :: 121.98(4.07) 1.Q123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.17 K 0.16 Q 0.15 I 0.11 R 0.03 C Shift Assignments>> C :: 179.848 CA :: 59.291 CB :: 27.853 CG :: 34.868 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 :: 9.058 HA :: 3.931 HB2 :: 2.320 HB3 :: 1.945 HG2 :: 2.661 HG3 :: 2.334 HE21 :: 7.182 HE22 :: 6.633 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 119.132 NE2 :: 110.000 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.44 C 0.37 G 0.11 K 0.04 L 0.02 C Shift Assignments>> C :: 178.853 CA :: 59.291 CB :: 29.457 CG :: 27.404 CD :: 43.566 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.764 HA :: 4.104 HB2 :: 2.083 HB3 :: 2.083 HG2 :: 1.824 HG3 :: 1.640 HD2 :: 3.260 HD3 :: 3.164 HE :: 7.256 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 :: 121.212 NE :: 84.478 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.C125 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.48 V 0.2 P 0.17 C 0.06 T 0.05 C Shift Assignments>> C :: 176.109 CA :: 65.369 CB :: 24.867 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.091 HA :: 3.707 HB2 :: 2.891 HB3 :: 1.451(S) 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 :: 118.779 Ave N Shift Values>> N :: 119.95(4.79) 1.V126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.91 C 0.08 HN Overlap>> 1.S27 1.S27 C Shift Assignments>> C :: 177.420 CA :: 65.169 CB :: 32.061 CG1 :: 21.172 CG2 :: 22.672 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 :: 8.133 HA :: 3.843 HB :: 2.076 HG11 :: 0.971 HG12 :: 0.971 HG13 :: 0.971 HG21 :: 1.036 HG22 :: 1.036 HG23 :: 1.036 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 :: 116.806 Ave N Shift Values>> N :: 121.02(4.96) 1.S127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.497 CA :: 61.218 CB :: 63.254 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.624 HA :: 4.181 HB2 :: 3.977 HB3 :: 3.977 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 :: 113.316 Ave N Shift Values>> N :: 116.3(3.95) 1.L128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.45 C 0.3 R 0.17 G 0.05 A 0.01 HN Overlap>> 1.D43 1.D43 C Shift Assignments>> C :: 178.294 CA :: 56.918 CB :: 43.029 CG :: 27.372 CD1 :: 25.585 CD2 :: 22.657 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 :: 7.765 HA :: 4.268 HB2 :: 1.498 HB3 :: 1.849 HG :: 1.760 HD11 :: 0.776 HD12 :: 0.776 HD13 :: 0.776 HD21 :: 0.931 HD22 :: 0.931 HD23 :: 0.931 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 :: 120.746 Ave N Shift Values>> N :: 121.98(4.07) 1.E129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.32 M 0.16 K 0.01 I 0.01 HN Overlap>> 1.D80 1.D80 C Shift Assignments>> C :: 173.826 CA :: 54.479 CB :: 31.194 CG :: 37.113 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 :: 8.239 HA :: 4.911 HB2 :: 2.369 HB3 :: 2.128 HG2 :: 2.389 HG3 :: 2.329 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 119.586 Ave N Shift Values>> N :: 120.68(3.68) 1.P130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.11 C Shift Assignments>> C :: 178.367 CA :: 65.024 CB :: 32.646 CG :: 27.213 CD :: 50.377 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 :: 4.822 HB2 :: 2.472 HB3 :: 1.916 HG2 :: 2.089 HG3 :: 1.903 HD2 :: 3.662 HD3 :: 3.411 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.K131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.31 R 0.25 M 0.02 HN Overlap>> 1.Y51 1.Y51 C Shift Assignments>> C :: 176.473 CA :: 55.360 CB :: 31.768 CG :: 25.326 CD :: 28.937 CE :: 42.122 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 :: 8.517 HA :: 4.378 HB2 :: 1.733 HB3 :: 2.007 HG2 :: 1.445 HG3 :: 1.360 HD2 :: 1.661 HD3 :: 1.661 HE2 :: 2.874 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 :: 115.196 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 C 0.17 D 0.17 Y 0.09 F 0.07 L 0.03 E 0.01 HN Overlap>> 1.L78 1.L78 C Shift Assignments>> C :: 176.376 CA :: 53.535 CB :: 38.612 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 :: 7.599 HA :: 4.413 HB2 :: 3.026 HB3 :: 2.586 HD21 :: 7.209 HD22 :: 6.030 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 118.453 ND2 :: 113.737 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.41 C 0.37 R 0.18 M 0.01 C Shift Assignments>> C :: 178.100 CA :: 58.935 CB :: 32.575 CG :: 25.097 CD :: 29.051 CE :: 42.069 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 :: 8.829 HA :: 3.850 HB2 :: 1.851 HB3 :: 1.803 HG2 :: 1.549 HG3 :: 1.440 HD2 :: 1.654 HE2 :: 2.961 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 :: 129.035 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.94 C 0.05 C Shift Assignments>> C :: 179.654 CA :: 66.054 CB :: 30.974 CG1 :: 22.410 CG2 :: 20.560 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 :: 7.699 HA :: 3.597 HB :: 1.636 HG11 :: 0.843 HG12 :: 0.843 HG13 :: 0.843 HG21 :: 0.627 HG22 :: 0.627 HG23 :: 0.627 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 120.164 Ave N Shift Values>> N :: 121.02(4.96) 1.F135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 F 0.3 C Shift Assignments>> C :: 177.371 CA :: 57.095 CB :: 37.183 CD1 :: 129.748 CD2 :: 129.748 CE1 :: 132.016 CE2 :: 132.016 CZ :: 129.970 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 6.854 HA :: 4.454 HB2 :: 3.140 HB3 :: 3.140 HD1 :: 6.795 HD2 :: 6.795 HE1 :: 6.858 HE2 :: 6.858 HZ :: 6.947 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 :: 117.729 Ave N Shift Values>> N :: 120.69(4.18) 1.Q136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 K 0.26 Q 0.21 R 0.11 E 0.05 M 0.04 I 0.01 P 0.01 HN Overlap>> 1.V66 1.V66 C Shift Assignments>> C :: 179.338 CA :: 59.139 CB :: 28.677 CG :: 33.073 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 :: 7.249 HA :: 3.928 HB2 :: 2.195 HB3 :: 2.033 HG2 :: 2.613 HG3 :: 2.464 HE21 :: 7.635 HE22 :: 6.777 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 116.159 NE2 :: 111.715 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.33 C 0.33 I 0.19 K 0.08 Q 0.03 M 0.02 C Shift Assignments>> C :: 178.173 CA :: 59.280 CB :: 29.345 CG :: 36.203 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.324 HA :: 4.029 HB2 :: 2.053 HB3 :: 2.053 HG2 :: 2.377 HG3 :: 2.279 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 :: 120.059 Ave N Shift Values>> N :: 120.68(3.68) 1.A138 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.4 C 0.04 I 0.02 V 0.01 L 0.01 HN Overlap>> 1.A54 1.A54 C Shift Assignments>> C :: 180.382 CA :: 55.121 CB :: 19.011 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.086 HA :: 4.248 HB1 :: 1.792 HB2 :: 1.792 HB3 :: 1.792 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.038 Ave N Shift Values>> N :: 123.23(3.7) 1.L139 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.34 R 0.15 K 0.02 HN Overlap>> 1.E85 1.E85 C Shift Assignments>> C :: 179.120 CA :: 57.588 CB :: 41.765 CG :: 27.298 CD1 :: 26.683 CD2 :: 24.073 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 :: 8.025 HA :: 4.110 HB2 :: 1.976 HB3 :: 1.542 HG :: 1.625 HD11 :: 0.939 HD12 :: 0.939 HD13 :: 0.939 HD21 :: 0.964 HD22 :: 0.964 HD23 :: 0.964 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 118.199 Ave N Shift Values>> N :: 121.98(4.07) 1.R140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.37 G 0.09 K 0.06 C Shift Assignments>> C :: 178.780 CA :: 59.087 CB :: 29.984 CG :: 27.368 CD :: 43.451 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 :: 7.986 HA :: 4.028 HB2 :: 1.938 HB3 :: 1.938 HG2 :: 1.762 HG3 :: 1.647 HD2 :: 3.230 HD3 :: 3.230 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 :: 120.534 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.N141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 Y 0.18 N 0.18 F 0.15 D 0.14 L 0.04 E 0.03 I 0.02 C Shift Assignments>> C :: 176.886 CA :: 55.407 CB :: 38.791 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 :: 8.084 HA :: 4.528 HB2 :: 2.892 HB3 :: 2.892 HD21 :: 7.719 HD22 :: 6.954 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 :: 116.011 ND2 :: 113.169 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.78 C 0.21 C Shift Assignments>> C :: 175.987 CA :: 62.409 CB :: 39.071 CG1 :: 27.608 CG2 :: 17.686 CD1 :: 14.971 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 :: 7.447 HA :: 4.330 HB :: 1.924 HG12 :: 1.497 HG13 :: 1.273 HG21 :: 0.928 HG22 :: 0.928 HG23 :: 0.928 HD11 :: 0.755 HD12 :: 0.755 HD13 :: 0.755 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 :: 115.101 Ave N Shift Values>> N :: 121.6(4.72) 1.S143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.506 CA :: 59.244 CB :: 64.248 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.816 HA :: 4.457 HB2 :: 3.922 HB3 :: 3.844 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 :: 116.295 Ave N Shift Values>> N :: 116.3(3.95) 1.G144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.65 L 0.14 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 171.860 CA :: 44.936 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.001 HA2 :: 4.165 HA3 :: 4.113 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.080 Ave N Shift Values>> N :: 109.91(4.29) 1.P145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 177.469 CA :: 63.403 CB :: 32.193 CG :: 27.207 CD :: 49.847 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 :: 4.459 HB2 :: 1.981 HB3 :: 2.287 HG2 :: 2.023 HG3 :: 2.023 HD2 :: 3.637 HD3 :: 3.637 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.S146 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S147 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G148 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 139 #Clerical: 0 #Suspicious: 9 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 138 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 10 Shift Relative Order (SRO) Results: #Consistent: 148 #Suspicious: 0 C Shift Results: #Consistent: 585 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 910 #Duplicate: 0 #Unknown: 0 #Suspicious: 10 #Anomalous: 0 N Shift Results: #Consistent: 144 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.N70 HD22 = 5.385(S), Expected = 7.20, Std = 0.5200, ChiSquare = 4.8233e-04 1.R71 HB2 = 2.722(S), Expected = 1.79, Std = 0.2800, ChiSquare = 8.7293e-04 1.K77 HB3 = 0.770(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.0249e-04 1.K83 HB2 = 0.600(S), Expected = 1.79, Std = 0.2500, ChiSquare = 1.9359e-06 1.K83 HB3 = 0.342(S), Expected = 1.78, Std = 0.2600, ChiSquare = 3.1883e-08 1.E87 HB2 = 2.971(S), Expected = 2.04, Std = 0.2200, ChiSquare = 2.3181e-05 1.K90 HB3 = 0.652(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.4348e-05 1.R105 HE = 10.302(S), Expected = 7.32, Std = 0.5200, ChiSquare = 9.7734e-09 1.K111 HB3 = 0.636(S), Expected = 1.78, Std = 0.2600, ChiSquare = 1.0825e-05 1.C125 HB3 = 1.451(S), Expected = 2.98, Std = 0.4500, ChiSquare = 6.7936e-04