Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.S1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 170.732 CA :: 59.193 CB :: 62.908 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.399 HA :: 4.094 HB2 :: 3.953 HB3 :: 3.953 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.162 Ave N Shift Values>> N :: 116.3(3.95) 1.A2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 C Shift Assignments>> C :: 177.216 CA :: 52.876 CB :: 19.182 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.742 HA :: 4.302 HB1 :: 1.297 HB2 :: 1.297 HB3 :: 1.297 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.657 Ave N Shift Values>> N :: 123.23(3.7) 1.D3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.41 Y 0.23 F 0.18 L 0.09 E 0.04 M 0.01 I 0.01 C Shift Assignments>> C :: 176.023 CA :: 53.721 CB :: 38.752 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 :: 8.432 HA :: 4.530 HB2 :: 2.713 HB3 :: 2.713 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 :: 118.729 Ave N Shift Values>> N :: 120.73(4.2) 1.H4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.51 W 0.48 C Shift Assignments>> C :: 175.101 CA :: 56.640 CB :: 28.961 CD2 :: 119.713 CE1 :: 136.016 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 :: 8.549 HA :: 4.568 HB2 :: 3.239 HB3 :: 3.144 HD2 :: 7.219 HE1 :: 8.530 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.650 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.33 M 0.11 E 0.11 R 0.09 C Shift Assignments>> C :: 175.749 CA :: 56.594 CB :: 29.285 CG :: 33.330 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 :: 8.330 HA :: 4.207 HB2 :: 2.021 HB3 :: 2.021 HG2 :: 2.411 HG3 :: 2.411 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 :: 120.937 Ave N Shift Values>> N :: 120.68(3.68) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.68 K 0.21 G 0.09 C Shift Assignments>> C :: 177.578 CA :: 56.716 CB :: 30.744 CG :: 27.165 CD :: 43.200 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 :: 8.325 HA :: 4.571 HB2 :: 1.803 HB3 :: 1.803 HG2 :: 1.636 HG3 :: 1.636 HD2 :: 3.263 HD3 :: 3.263 HE :: 7.000 HH11 :: 6.373 HH12 :: 6.373 HH21 :: 6.726 HH22 :: 6.726 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 :: 120.267 NE :: 108.520 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.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.28 M 0.2 E 0.12 R 0.05 C Shift Assignments>> C :: 177.156 CA :: 57.125 CB :: 30.149 CG :: 33.260 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 :: 8.136 HA :: 4.165 HB2 :: 2.007 HB3 :: 2.007 HG2 :: 2.448 HG3 :: 2.448 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.008 Ave N Shift Values>> N :: 120.68(3.68) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 C Shift Assignments>> C :: 178.913 CA :: 52.832 CB :: 18.909 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.325 HA :: 4.212 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.538 Ave N Shift Values>> N :: 123.23(3.7) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.32 R 0.16 E 0.08 M 0.07 I 0.01 C Shift Assignments>> C :: 175.771 CA :: 57.655 CB :: 28.606 CG :: 33.120 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 :: 8.159 HA :: 4.140 HB2 :: 2.050 HB3 :: 2.050 HG2 :: 2.376 HG3 :: 2.376 HE21 :: 6.816 HE22 :: 7.456 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 :: 124.103 NE2 :: 112.089 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.32 M 0.11 G 0.01 HN Overlap>> 1.Q73 1.Q73 C Shift Assignments>> C :: 177.798 CA :: 57.139 CB :: 33.040 CG :: 24.850 CD :: 30.600 CE :: 42.000 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 :: 8.148 HA :: 4.204 HB2 :: 1.831 HB3 :: 1.831 HG2 :: 1.585 HG3 :: 1.585 HD2 :: 1.683 HD3 :: 1.683 HE2 :: 2.986 HE3 :: 2.986 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 :: 120.635 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.29 C Shift Assignments>> C :: 178.173 CA :: 53.351 CB :: 19.128 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.148 HA :: 4.140 HB1 :: 1.386 HB2 :: 1.386 HB3 :: 1.386 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.171 Ave N Shift Values>> N :: 123.23(3.7) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.29 M 0.17 E 0.13 R 0.06 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> C :: 176.385 CA :: 57.442 CB :: 30.001 CG :: 33.350 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 :: 8.248 HA :: 4.222 HB2 :: 1.936 HB3 :: 1.936 HG2 :: 2.391 HG3 :: 2.391 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 :: 119.451 Ave N Shift Values>> N :: 120.68(3.68) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.28 M 0.19 E 0.12 R 0.05 HN Overlap>> 1.R96 1.R96 C Shift Assignments>> C :: 178.060 CA :: 56.828 CB :: 30.082 CG :: 33.350 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 :: 8.372 HA :: 4.265 HB2 :: 2.008 HB3 :: 2.008 HG2 :: 2.397 HG3 :: 2.397 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.080 Ave N Shift Values>> N :: 120.68(3.68) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.34 R 0.14 E 0.1 M 0.04 I 0.01 HN Overlap>> 1.K17 1.V63 1.K17 1.V63 1.Y57 1.Y57 C Shift Assignments>> C :: 176.274 CA :: 56.892 CB :: 28.169 CG :: 33.530 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 :: 8.152 HA :: 4.142 HB2 :: 2.069 HB3 :: 2.069 HG2 :: 2.473 HG3 :: 2.473 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 :: 120.236 Ave N Shift Values>> N :: 120.68(3.68) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.07 G 0.02 C Shift Assignments>> C :: 177.983 CA :: 56.344 CB :: 42.250 CG :: 26.872 CD1 :: 24.475 CD2 :: 24.475 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 :: 8.301 HA :: 4.224 HB2 :: 1.490 HB3 :: 1.688 HG :: 1.506 HD11 :: 0.814 HD12 :: 0.814 HD13 :: 0.814 HD21 :: 0.787 HD22 :: 0.787 HD23 :: 0.787 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.072 Ave N Shift Values>> N :: 121.98(4.07) 1.Q16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.31 M 0.15 E 0.11 R 0.07 HN Overlap>> 1.L84 1.L84 C Shift Assignments>> C :: 177.674 CA :: 57.971 CB :: 29.889 CG :: 33.120 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 :: 8.132 HA :: 4.145 HB2 :: 2.066 HB3 :: 2.066 HG2 :: 2.426 HG3 :: 2.426 HE21 :: 6.820 HE22 :: 7.384 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 :: 119.160 NE2 :: 112.010 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.32 M 0.11 G 0.01 HN Overlap>> 1.V63 1.E28 1.E14 1.V63 1.E28 1.E14 C Shift Assignments>> C :: 177.646 CA :: 57.115 CB :: 32.833 CG :: 24.850 CD :: 30.600 CE :: 42.000 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 :: 8.214 HA :: 4.140 HB2 :: 1.768 HB3 :: 1.768 HG2 :: 1.382 HG3 :: 1.382 HD2 :: 1.502 HD3 :: 1.502 HE2 :: 2.954 HE3 :: 2.954 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.310 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 177.476 CA :: 63.634 CB :: 31.886 CG1 :: 21.720 CG2 :: 21.720 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 :: 7.871 HA :: 4.108 HB :: 2.111 HG11 :: 0.972 HG12 :: 0.972 HG13 :: 0.972 HG21 :: 0.972 HG22 :: 0.972 HG23 :: 0.972 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 :: 120.571 Ave N Shift Values>> N :: 121.02(4.96) 1.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.94 R 0.03 G 0.01 HN Overlap>> 1.E72 1.E30 1.E72 1.E30 1.R95 1.R95 C Shift Assignments>> C :: 179.462 CA :: 57.653 CB :: 41.800 CG :: 26.878 CD1 :: 23.876 CD2 :: 23.876 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.180 HA :: 4.042 HB2 :: 1.720 HB3 :: 1.720 HG :: 1.499 HD11 :: 0.847 HD12 :: 0.847 HD13 :: 0.847 HD21 :: 0.874 HD22 :: 0.874 HD23 :: 0.874 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.936 Ave N Shift Values>> N :: 121.98(4.07) 1.E20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.32 K 0.27 M 0.17 E 0.16 R 0.04 I 0.01 HN Overlap>> 1.D59 1.D59 C Shift Assignments>> C :: 178.001 CA :: 58.045 CB :: 30.092 CG :: 33.530 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 :: 8.122 HA :: 4.156 HB2 :: 2.069 HB3 :: 2.069 HG2 :: 2.406 HG3 :: 2.406 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 :: 118.745 Ave N Shift Values>> N :: 120.68(3.68) 1.E21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.29 E 0.15 M 0.14 R 0.05 I 0.01 HN Overlap>> 1.S40 1.E12 1.S40 1.E12 C Shift Assignments>> C :: 177.290 CA :: 58.109 CB :: 29.868 CG :: 33.530 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 :: 8.190 HA :: 4.144 HB2 :: 2.071 HB3 :: 2.071 HG2 :: 2.485 HG3 :: 2.485 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 :: 119.542 Ave N Shift Values>> N :: 120.68(3.68) 1.A22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.38 I 0.01 HN Overlap>> 1.A44 1.A44 C Shift Assignments>> C :: 179.020 CA :: 53.944 CB :: 18.578 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.092 HA :: 4.173 HB1 :: 1.406 HB2 :: 1.406 HB3 :: 1.406 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.378 Ave N Shift Values>> N :: 123.23(3.7) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.125 CA :: 59.414 CB :: 63.520 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.079 HA :: 4.300 HB2 :: 3.884 HB3 :: 3.884 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 114.637 Ave N Shift Values>> N :: 116.3(3.95) 1.K24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.35 M 0.1 G 0.01 HN Overlap>> 1.A88 1.A88 C Shift Assignments>> C :: 175.423 CA :: 57.273 CB :: 31.200 CG :: 24.850 CD :: 30.600 CE :: 42.000 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 :: 8.032 HA :: 4.325 HB2 :: 1.772 HB3 :: 1.772 HG2 :: 1.399 HG3 :: 1.399 HD2 :: 1.776 HD3 :: 1.776 HE2 :: 2.914 HE3 :: 2.914 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.635 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.52 R 0.35 M 0.11 G 0.01 C Shift Assignments>> C :: 177.025 CA :: 56.876 CB :: 31.200 CG :: 24.850 CD :: 30.600 CE :: 42.000 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 :: 8.042 HA :: 4.169 HB2 :: 1.747 HB3 :: 1.747 HG2 :: 1.399 HG3 :: 1.399 HD2 :: 1.776 HD3 :: 1.776 HE2 :: 2.983 HE3 :: 2.983 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.079 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.26 HN Overlap>> 1.A36 1.A36 C Shift Assignments>> C :: 178.418 CA :: 53.049 CB :: 19.055 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.103 HA :: 4.196 HB1 :: 1.349 HB2 :: 1.349 HB3 :: 1.349 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.589 Ave N Shift Values>> N :: 123.23(3.7) 1.V27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.177 CA :: 63.001 CB :: 32.449 CG1 :: 20.980 CG2 :: 20.980 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 :: 8.030 HA :: 3.945 HB :: 2.025 HG11 :: 0.906 HG12 :: 0.906 HG13 :: 0.906 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 :: 119.340 Ave N Shift Values>> N :: 121.02(4.96) 1.E28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.3 M 0.19 E 0.09 R 0.07 HN Overlap>> 1.K17 1.V63 1.K17 1.V63 C Shift Assignments>> C :: 176.411 CA :: 57.290 CB :: 30.025 CG :: 33.000 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 :: 8.187 HA :: 4.166 HB2 :: 2.008 HB3 :: 2.008 HG2 :: 2.429 HG3 :: 2.429 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 :: 120.351 Ave N Shift Values>> N :: 120.68(3.68) 1.A29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.69 M 0.29 C Shift Assignments>> C :: 176.924 CA :: 53.338 CB :: 18.964 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.173 HA :: 4.230 HB1 :: 1.356 HB2 :: 1.356 HB3 :: 1.356 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.463 Ave N Shift Values>> N :: 123.23(3.7) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.31 M 0.17 E 0.1 R 0.08 HN Overlap>> 1.E72 1.E72 1.L19 1.R95 1.L19 1.R95 C Shift Assignments>> C :: 175.016 CA :: 58.033 CB :: 29.996 CG :: 33.000 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 :: 8.239 HA :: 4.251 HB2 :: 2.008 HB3 :: 2.008 HG2 :: 2.449 HG3 :: 2.449 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 :: 122.971 Ave N Shift Values>> N :: 120.68(3.68) 1.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.22 G 0.09 C Shift Assignments>> C :: 176.727 CA :: 56.565 CB :: 30.783 CG :: 27.165 CD :: 43.200 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 :: 8.261 HA :: 4.255 HB2 :: 1.761 HB3 :: 1.761 HG2 :: 1.605 HG3 :: 1.605 HD2 :: 3.124 HD3 :: 3.124 HE :: 7.147 HH11 :: 6.420 HH12 :: 6.420 HH21 :: 6.726 HH22 :: 6.726 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 :: 121.894 NE :: 108.585 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.G32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.13 R 0.06 F 0.01 C Shift Assignments>> C :: 173.994 CA :: 45.077 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.302 HA2 :: 3.852 HA3 :: 3.852 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.773 Ave N Shift Values>> N :: 109.91(4.29) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.09 C Shift Assignments>> CA :: 50.522 CB :: 18.962 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.011 HA :: 4.212 HB1 :: 1.311 HB2 :: 1.311 HB3 :: 1.311 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.601 Ave N Shift Values>> N :: 123.23(3.7) 1.P34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.746 CA :: 63.520 CB :: 31.938 CG :: 27.510 CD :: 50.176 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 :: 4.352 HB2 :: 2.228 HB3 :: 2.228 HG2 :: 1.887 HG3 :: 1.887 HD2 :: 3.576 HD3 :: 3.680 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.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 173.266 CA :: 45.405 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.433 HA2 :: 3.848 HA3 :: 3.848 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.298 Ave N Shift Values>> N :: 109.91(4.29) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.77 M 0.2 L 0.01 HN Overlap>> 1.A26 1.A26 C Shift Assignments>> C :: 177.944 CA :: 52.551 CB :: 19.485 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.095 HA :: 4.196 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.605 Ave N Shift Values>> N :: 123.23(3.7) 1.A37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.78 M 0.2 HN Overlap>> 1.F82 1.F82 C Shift Assignments>> C :: 177.456 CA :: 52.453 CB :: 19.060 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.199 HA :: 4.491 HB1 :: 1.353 HB2 :: 1.353 HB3 :: 1.353 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.695 Ave N Shift Values>> N :: 123.23(3.7) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.06 G 0.02 C Shift Assignments>> C :: 177.358 CA :: 55.218 CB :: 42.228 CG :: 26.872 CD1 :: 24.475 CD2 :: 24.475 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 :: 8.099 HA :: 4.243 HB2 :: 1.537 HB3 :: 1.537 HG :: 1.533 HD11 :: 0.840 HD12 :: 0.840 HD13 :: 0.840 HD21 :: 0.840 HD22 :: 0.840 HD23 :: 0.840 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 :: 121.531 Ave N Shift Values>> N :: 121.98(4.07) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 175.586 CA :: 60.873 CB :: 38.727 CG1 :: 27.261 CG2 :: 17.349 CD1 :: 12.898 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 :: 7.966 HA :: 4.136 HB :: 1.691 HG12 :: 0.673 HG13 :: 0.673 HG21 :: 0.649 HG22 :: 0.649 HG23 :: 0.649 HD11 :: 0.839 HD12 :: 0.839 HD13 :: 0.839 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.669 Ave N Shift Values>> N :: 121.6(4.72) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.E21 1.E21 C Shift Assignments>> C :: 173.336 CA :: 57.331 CB :: 63.983 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.101 HA :: 4.347 HB2 :: 3.636 HB3 :: 3.636 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 :: 119.591 Ave N Shift Values>> N :: 116.3(3.95) 1.Y41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.25 E 0.13 D 0.12 I 0.06 L 0.04 M 0.02 HN Overlap>> 1.A88 1.A88 C Shift Assignments>> CA :: 56.067 CB :: 38.244 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 :: 8.100 HA :: 4.436 HB2 :: 3.035 HB3 :: 2.727 HD1 :: 7.000 HD2 :: 7.000 HE1 :: 7.000 HE2 :: 7.000 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 :: 122.744 Ave N Shift Values>> N :: 120.79(4.69) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 176.765 CA :: 63.650 CB :: 30.513 CG :: 27.384 CD :: 50.520 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 :: 4.281 HB2 :: 2.155 HB3 :: 2.155 HG2 :: 1.876 HG3 :: 1.876 HD2 :: 3.650 HD3 :: 3.508 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.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.38 Y 0.24 F 0.18 L 0.07 E 0.06 M 0.02 I 0.01 C Shift Assignments>> C :: 175.135 CA :: 53.570 CB :: 38.450 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 :: 8.305 HA :: 4.548 HB2 :: 2.904 HB3 :: 2.752 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 :: 118.052 Ave N Shift Values>> N :: 120.73(4.2) 1.A44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.74 M 0.24 HN Overlap>> 1.A22 1.A22 C Shift Assignments>> C :: 177.969 CA :: 52.867 CB :: 19.023 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.013 HA :: 4.106 HB1 :: 1.206 HB2 :: 1.206 HB3 :: 1.206 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.344 Ave N Shift Values>> N :: 123.23(3.7) 1.I45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.287 CA :: 61.465 CB :: 38.294 CG1 :: 27.244 CG2 :: 17.061 CD1 :: 12.870 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 :: 7.860 HA :: 3.855 HB :: 1.593 HG12 :: 0.955 HG13 :: 0.955 HG21 :: 0.688 HG22 :: 0.688 HG23 :: 0.688 HD11 :: 0.464 HD12 :: 0.464 HD13 :: 0.464 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 :: 118.636 Ave N Shift Values>> N :: 121.6(4.72) 1.W46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.68 H 0.31 C Shift Assignments>> C :: 176.136 CA :: 57.139 CB :: 28.880 CZ2 :: 114.596 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.646 HA :: 4.504 HB2 :: 3.130 HB3 :: 3.130 HD1 :: 7.075 HE1 :: 10.076 HE3 :: 7.384 HZ2 :: 7.367 HZ3 :: 7.075 HH2 :: 7.046 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.947 NE1 :: 129.459 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.W47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.16 W 0.15 H 0.15 Q 0.15 R 0.14 K 0.13 M 0.05 I 0.03 V 0.01 C Shift Assignments>> C :: 176.149 CA :: 57.197 CB :: 29.703 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.502 HA :: 4.482 HB2 :: 2.987 HB3 :: 3.128 HD1 :: 6.946 HE1 :: 9.987 HE3 :: 7.143 HZ2 :: 7.347 HZ3 :: 6.826 HH2 :: 7.320 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.943 NE1 :: 129.409 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.600 CA :: 57.844 CB :: 64.102 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.861 HA :: 4.258 HB2 :: 3.694 HB3 :: 3.694 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 :: 116.339 Ave N Shift Values>> N :: 116.3(3.95) 1.V49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.402 CA :: 62.909 CB :: 32.467 CG1 :: 20.946 CG2 :: 20.946 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.921 HA :: 3.990 HB :: 2.015 HG11 :: 0.849 HG12 :: 0.849 HG13 :: 0.849 HG21 :: 0.837 HG22 :: 0.837 HG23 :: 0.837 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.079 Ave N Shift Values>> N :: 121.02(4.96) 1.E50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.29 M 0.21 E 0.09 R 0.07 C Shift Assignments>> C :: 176.506 CA :: 57.040 CB :: 30.123 CG :: 33.000 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 :: 8.229 HA :: 4.307 HB2 :: 1.824 HB3 :: 1.824 HG2 :: 2.298 HG3 :: 2.298 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 :: 122.433 Ave N Shift Values>> N :: 120.68(3.68) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.430 CA :: 62.227 CB :: 69.712 CG2 :: 21.500 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 :: 7.993 HA :: 4.248 HB :: 4.180 HG21 :: 1.072 HG22 :: 1.072 HG23 :: 1.072 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 114.413 Ave N Shift Values>> N :: 115.7(5.05) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.25 C Shift Assignments>> C :: 177.976 CA :: 53.069 CB :: 19.178 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.160 HA :: 4.212 HB1 :: 1.334 HB2 :: 1.334 HB3 :: 1.334 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.641 Ave N Shift Values>> N :: 123.23(3.7) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.750 CA :: 62.231 CB :: 69.726 CG2 :: 21.500 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 :: 8.022 HA :: 4.231 HB :: 4.154 HG21 :: 1.122 HG22 :: 1.122 HG23 :: 1.122 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 :: 112.100 Ave N Shift Values>> N :: 115.7(5.05) 1.T54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.592 CA :: 62.002 CB :: 69.793 CG2 :: 21.500 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 :: 7.999 HA :: 4.303 HB :: 4.176 HG21 :: 1.113 HG22 :: 1.113 HG23 :: 1.113 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 :: 116.238 Ave N Shift Values>> N :: 115.7(5.05) 1.V55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.R68 1.R68 C Shift Assignments>> C :: 176.453 CA :: 62.650 CB :: 32.524 CG1 :: 20.950 CG2 :: 20.950 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 :: 8.098 HA :: 4.017 HB :: 1.963 HG11 :: 0.839 HG12 :: 0.839 HG13 :: 0.839 HG21 :: 0.839 HG22 :: 0.839 HG23 :: 0.839 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 :: 122.445 Ave N Shift Values>> N :: 121.02(4.96) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.11 R 0.04 C Shift Assignments>> C :: 173.958 CA :: 45.216 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.308 HA2 :: 3.839 HA3 :: 4.019 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 112.118 Ave N Shift Values>> N :: 109.91(4.29) 1.Y57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.36 F 0.32 I 0.17 E 0.05 D 0.04 L 0.03 HN Overlap>> 1.E14 1.E14 C Shift Assignments>> C :: 176.557 CA :: 58.251 CB :: 38.935 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 :: 8.051 HA :: 4.402 HB2 :: 2.878 HB3 :: 3.047 HD1 :: 7.008 HD2 :: 7.008 HE1 :: 6.724 HE2 :: 6.724 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 :: 120.259 Ave N Shift Values>> N :: 120.79(4.69) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 R 0.03 C Shift Assignments>> C :: 173.911 CA :: 45.311 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.335 HA2 :: 3.801 HA3 :: 3.801 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.220 Ave N Shift Values>> N :: 109.91(4.29) 1.D59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.43 Y 0.22 F 0.18 L 0.09 E 0.03 M 0.01 I 0.01 HN Overlap>> 1.E20 1.E20 C Shift Assignments>> C :: 175.189 CA :: 53.570 CB :: 38.750 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 :: 8.161 HA :: 4.581 HB2 :: 2.736 HB3 :: 2.736 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 :: 118.765 Ave N Shift Values>> N :: 120.73(4.2) 1.R60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.23 G 0.08 HN Overlap>> 1.F93 1.F93 C Shift Assignments>> C :: 176.603 CA :: 56.825 CB :: 30.935 CG :: 27.165 CD :: 43.200 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 :: 8.086 HA :: 4.152 HB2 :: 1.940 HB3 :: 1.940 HG2 :: 1.558 HG3 :: 1.558 HD2 :: 3.216 HD3 :: 3.216 HE :: 6.993 HH11 :: 6.373 HH12 :: 6.373 HH21 :: 6.652 HH22 :: 6.652 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 :: 120.762 NE :: 108.550 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.Y61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.3 F 0.29 D 0.16 L 0.1 I 0.06 K 0.02 E 0.02 HN Overlap>> 1.V85 1.V85 C Shift Assignments>> CA :: 56.688 CB :: 39.582 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 :: 8.117 HA :: 4.488 HB2 :: 3.052 HB3 :: 3.052 HD1 :: 7.000 HD2 :: 7.000 HE1 :: 7.000 HE2 :: 7.000 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 :: 121.714 Ave N Shift Values>> N :: 120.79(4.69) 1.P62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.441 CA :: 63.212 CB :: 31.939 CG :: 27.600 CD :: 50.471 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 :: 4.383 HB2 :: 2.280 HB3 :: 2.280 HG2 :: 2.158 HG3 :: 2.158 HD2 :: 3.758 HD3 :: 3.758 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.V63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K17 1.K17 1.E28 1.E14 1.E28 1.E14 C Shift Assignments>> C :: 176.576 CA :: 62.382 CB :: 32.862 CG1 :: 21.030 CG2 :: 21.030 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 :: 8.217 HA :: 4.164 HB :: 2.047 HG11 :: 0.887 HG12 :: 0.887 HG13 :: 0.887 HG21 :: 0.763 HG22 :: 0.763 HG23 :: 0.763 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 :: 120.316 Ave N Shift Values>> N :: 121.02(4.96) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.558 CA :: 62.606 CB :: 70.496 CG2 :: 21.500 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 :: 8.084 HA :: 4.313 HB :: 4.110 HG21 :: 1.136 HG22 :: 1.136 HG23 :: 1.136 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 :: 116.779 Ave N Shift Values>> N :: 115.7(5.05) 1.E65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.3 M 0.19 E 0.1 R 0.07 C Shift Assignments>> C :: 175.016 CA :: 57.750 CB :: 30.083 CG :: 33.000 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 :: 8.404 HA :: 4.314 HB2 :: 2.029 HB3 :: 1.890 HG2 :: 2.369 HG3 :: 2.369 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 :: 122.323 Ave N Shift Values>> N :: 120.68(3.68) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.32 Q 0.31 M 0.15 E 0.1 R 0.08 C Shift Assignments>> C :: 176.855 CA :: 58.023 CB :: 29.857 CG :: 33.000 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 :: 8.397 HA :: 4.224 HB2 :: 2.013 HB3 :: 2.013 HG2 :: 2.392 HG3 :: 2.392 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 :: 122.201 Ave N Shift Values>> N :: 120.68(3.68) 1.G67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.89 L 0.07 R 0.01 C Shift Assignments>> C :: 173.071 CA :: 45.871 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.376 HA2 :: 3.834 HA3 :: 3.834 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.499 Ave N Shift Values>> N :: 109.91(4.29) 1.R68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.18 G 0.09 L 0.01 HN Overlap>> 1.V55 1.V55 C Shift Assignments>> C :: 177.494 CA :: 57.574 CB :: 30.325 CG :: 27.165 CD :: 43.200 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 :: 8.011 HA :: 4.482 HB2 :: 1.733 HB3 :: 1.733 HG2 :: 1.576 HG3 :: 1.576 HD2 :: 3.132 HD3 :: 3.132 HE :: 7.160 HH11 :: 6.424 HH12 :: 6.424 HH21 :: 6.743 HH22 :: 6.743 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 :: 122.501 NE :: 108.423 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.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.32 M 0.1 G 0.01 C Shift Assignments>> C :: 178.168 CA :: 57.781 CB :: 32.705 CG :: 24.850 CD :: 30.600 CE :: 42.000 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 :: 7.986 HA :: 4.150 HB2 :: 1.874 HB3 :: 1.874 HG2 :: 1.429 HG3 :: 1.429 HD2 :: 1.593 HD3 :: 1.593 HE2 :: 3.028 HE3 :: 3.028 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 :: 120.934 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.998 CA :: 64.206 CB :: 31.873 CG1 :: 20.980 CG2 :: 20.980 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 :: 7.848 HA :: 4.088 HB :: 2.125 HG11 :: 0.818 HG12 :: 0.818 HG13 :: 0.818 HG21 :: 0.926 HG22 :: 0.926 HG23 :: 0.926 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 :: 120.324 Ave N Shift Values>> N :: 121.02(4.96) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.26 C Shift Assignments>> C :: 178.225 CA :: 53.106 CB :: 19.128 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.300 HA :: 4.221 HB1 :: 1.305 HB2 :: 1.305 HB3 :: 1.305 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.025 Ave N Shift Values>> N :: 123.23(3.7) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.34 Q 0.32 R 0.17 M 0.08 E 0.06 HN Overlap>> 1.E30 1.L19 1.R95 1.E30 1.L19 1.R95 C Shift Assignments>> C :: 176.779 CA :: 56.776 CB :: 28.610 CG :: 33.000 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 :: 8.181 HA :: 4.219 HB2 :: 2.113 HB3 :: 2.113 HG2 :: 2.329 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 :: 123.008 Ave N Shift Values>> N :: 120.68(3.68) 1.Q73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.32 R 0.18 M 0.06 E 0.06 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> C :: 175.803 CA :: 56.456 CB :: 28.290 CG :: 33.040 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 :: 8.132 HA :: 4.141 HB2 :: 2.064 HB3 :: 2.064 HG2 :: 2.376 HG3 :: 2.376 HE21 :: 7.461 HE22 :: 6.815 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 120.564 NE2 :: 112.169 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.V85 1.R100 1.V85 1.R100 C Shift Assignments>> C :: 176.167 CA :: 63.123 CB :: 30.082 CG1 :: 21.264 CG2 :: 21.264 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 :: 8.088 HA :: 3.986 HB :: 1.885 HG11 :: 0.803 HG12 :: 0.803 HG13 :: 0.803 HG21 :: 0.941 HG22 :: 0.941 HG23 :: 0.941 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.828 Ave N Shift Values>> N :: 121.02(4.96) 1.M75 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent C Shift Assignments>> C :: 176.455 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 :: 8.167 HA :: 4.093 HB2 :: 2.018 HB3 :: 2.018 HE1 :: 2.078 HE2 :: 2.078 HE3 :: 2.078 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 :: 123.990 Ave N Shift Values>> N :: 120.1(3.88) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.54 R 0.32 M 0.11 G 0.01 C Shift Assignments>> C :: 176.220 CA :: 56.765 CB :: 33.055 CG :: 24.850 CD :: 30.600 CE :: 42.000 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 :: 8.287 HA :: 4.234 HB2 :: 1.913 HB3 :: 1.913 HG2 :: 1.440 HG3 :: 1.440 HD2 :: 1.704 HD3 :: 1.704 HE2 :: 3.001 HE3 :: 3.001 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 122.725 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.75 M 0.22 L 0.01 C Shift Assignments>> C :: 178.097 CA :: 52.740 CB :: 19.427 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.308 HA :: 4.213 HB1 :: 1.348 HB2 :: 1.348 HB3 :: 1.348 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.316 Ave N Shift Values>> N :: 123.23(3.7) 1.G78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 174.065 CA :: 45.497 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.284 HA2 :: 3.873 HA3 :: 3.873 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.778 Ave N Shift Values>> N :: 109.91(4.29) 1.I79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.160 CA :: 61.436 CB :: 38.904 CG1 :: 27.280 CG2 :: 17.516 CD1 :: 12.982 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 :: 7.882 HA :: 4.119 HB :: 1.834 HG12 :: 1.369 HG13 :: 1.369 HG21 :: 1.110 HG22 :: 1.110 HG23 :: 1.110 HD11 :: 0.877 HD12 :: 0.877 HD13 :: 0.877 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 :: 119.794 Ave N Shift Values>> N :: 121.6(4.72) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.3 M 0.19 E 0.09 R 0.07 C Shift Assignments>> C :: 176.174 CA :: 57.178 CB :: 30.019 CG :: 33.000 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 :: 8.354 HA :: 4.282 HB2 :: 1.871 HB3 :: 1.871 HG2 :: 2.294 HG3 :: 2.294 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.311 Ave N Shift Values>> N :: 120.68(3.68) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.815 CA :: 62.865 CB :: 32.629 CG1 :: 20.946 CG2 :: 20.946 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.205 HA :: 3.985 HB :: 1.978 HG11 :: 0.854 HG12 :: 0.854 HG13 :: 0.854 HG21 :: 1.042 HG22 :: 1.042 HG23 :: 1.042 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.106 Ave N Shift Values>> N :: 121.02(4.96) 1.F82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.34 I 0.15 D 0.05 L 0.05 E 0.02 K 0.01 HN Overlap>> 1.A37 1.A37 C Shift Assignments>> C :: 175.631 CA :: 58.206 CB :: 39.431 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 :: 8.252 HA :: 4.551 HB2 :: 3.043 HB3 :: 2.900 HD1 :: 7.155 HD2 :: 7.155 HE1 :: 7.544 HE2 :: 7.544 HZ :: 7.155 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.622 Ave N Shift Values>> N :: 120.69(4.18) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.22 C Shift Assignments>> C :: 178.025 CA :: 52.731 CB :: 19.359 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.184 HA :: 4.230 HB1 :: 1.300 HB2 :: 1.300 HB3 :: 1.300 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.081 Ave N Shift Values>> N :: 123.23(3.7) 1.L84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.91 R 0.05 G 0.02 HN Overlap>> 1.Q16 1.Q16 C Shift Assignments>> C :: 176.390 CA :: 55.786 CB :: 42.179 CG :: 26.878 CD1 :: 24.265 CD2 :: 24.265 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 :: 8.104 HA :: 4.167 HB2 :: 1.605 HB3 :: 1.605 HG :: 1.600 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 HD21 :: 0.838 HD22 :: 0.838 HD23 :: 0.838 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 :: 119.064 Ave N Shift Values>> N :: 121.98(4.07) 1.V85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.Y61 1.V74 1.Y61 1.V74 C Shift Assignments>> C :: 176.521 CA :: 62.762 CB :: 32.498 CG1 :: 21.248 CG2 :: 21.248 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 :: 8.155 HA :: 4.073 HB :: 2.023 HG11 :: 0.855 HG12 :: 0.855 HG13 :: 0.855 HG21 :: 0.855 HG22 :: 0.855 HG23 :: 0.855 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.743 Ave N Shift Values>> N :: 121.02(4.96) 1.T86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.706 CA :: 62.351 CB :: 69.618 CG2 :: 21.500 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 :: 8.052 HA :: 4.141 HB :: 4.050 HG21 :: 1.118 HG22 :: 1.118 HG23 :: 1.118 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.693 Ave N Shift Values>> N :: 115.7(5.05) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.71 M 0.28 C Shift Assignments>> C :: 178.003 CA :: 52.967 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 :: 8.216 HA :: 4.170 HB1 :: 1.329 HB2 :: 1.329 HB3 :: 1.329 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.174 Ave N Shift Values>> N :: 123.23(3.7) 1.A88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.24 HN Overlap>> 1.Y41 1.K24 1.Y41 1.K24 C Shift Assignments>> C :: 178.246 CA :: 52.961 CB :: 19.290 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.129 HA :: 4.147 HB1 :: 1.325 HB2 :: 1.325 HB3 :: 1.325 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.649 Ave N Shift Values>> N :: 123.23(3.7) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.9 R 0.06 G 0.01 C Shift Assignments>> C :: 176.375 CA :: 57.099 CB :: 42.055 CG :: 26.870 CD1 :: 24.440 CD2 :: 24.440 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 :: 7.992 HA :: 4.153 HB2 :: 1.599 HB3 :: 1.599 HG :: 1.506 HD11 :: 0.835 HD12 :: 0.835 HD13 :: 0.835 HD21 :: 0.776 HD22 :: 0.776 HD23 :: 0.776 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 :: 120.616 Ave N Shift Values>> N :: 121.98(4.07) 1.A90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.25 C Shift Assignments>> C :: 178.487 CA :: 53.043 CB :: 19.269 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.168 HA :: 4.218 HB1 :: 1.360 HB2 :: 1.360 HB3 :: 1.360 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.243 Ave N Shift Values>> N :: 123.23(3.7) 1.T91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.931 CA :: 62.190 CB :: 69.198 CG2 :: 21.500 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 :: 7.988 HA :: 4.181 HB :: 4.137 HG21 :: 1.128 HG22 :: 1.128 HG23 :: 1.128 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 :: 112.659 Ave N Shift Values>> N :: 115.7(5.05) 1.D92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.43 Y 0.22 F 0.18 L 0.09 E 0.03 M 0.01 I 0.01 C Shift Assignments>> C :: 175.823 CA :: 53.570 CB :: 38.750 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 :: 8.254 HA :: 4.541 HB2 :: 2.765 HB3 :: 2.765 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 :: 120.688 Ave N Shift Values>> N :: 120.73(4.2) 1.F93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.34 F 0.34 I 0.18 L 0.04 D 0.03 E 0.02 K 0.01 HN Overlap>> 1.R60 1.R60 C Shift Assignments>> C :: 176.384 CA :: 58.633 CB :: 39.451 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 :: 8.048 HA :: 4.547 HB2 :: 3.060 HB3 :: 3.060 HD1 :: 7.131 HD2 :: 7.131 HE1 :: 7.010 HE2 :: 7.010 HZ :: 7.367 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 120.763 Ave N Shift Values>> N :: 120.69(4.18) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 176.851 CA :: 63.297 CB :: 29.241 CG1 :: 21.714 CG2 :: 21.444 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 :: 7.904 HA :: 4.364 HB :: 2.006 HG11 :: 0.902 HG12 :: 0.902 HG13 :: 0.902 HG21 :: 0.902 HG22 :: 0.902 HG23 :: 0.902 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 121.478 Ave N Shift Values>> N :: 121.02(4.96) 1.R95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.23 G 0.09 HN Overlap>> 1.E72 1.E30 1.L19 1.E72 1.E30 1.L19 C Shift Assignments>> C :: 177.395 CA :: 55.978 CB :: 31.070 CG :: 27.165 CD :: 43.200 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 :: 8.146 HA :: 4.134 HB2 :: 1.799 HB3 :: 1.799 HG2 :: 1.606 HG3 :: 1.606 HD2 :: 3.176 HD3 :: 3.176 HE :: 7.134 HH11 :: 6.420 HH12 :: 6.420 HH21 :: 6.726 HH22 :: 6.726 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 :: 122.920 NE :: 108.600 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.R96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.23 G 0.08 HN Overlap>> 1.E13 1.E13 C Shift Assignments>> C :: 176.839 CA :: 56.831 CB :: 30.952 CG :: 27.165 CD :: 43.200 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 :: 8.313 HA :: 4.180 HB2 :: 1.791 HB3 :: 1.791 HG2 :: 1.604 HG3 :: 1.604 HD2 :: 3.136 HD3 :: 3.136 HE :: 7.141 HH11 :: 6.420 HH12 :: 6.420 HH21 :: 6.726 HH22 :: 6.726 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 :: 121.064 NE :: 108.617 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.E97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.35 Q 0.31 R 0.17 M 0.07 E 0.07 C Shift Assignments>> C :: 176.319 CA :: 57.408 CB :: 28.610 CG :: 33.000 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 :: 8.356 HA :: 4.220 HB2 :: 2.013 HB3 :: 2.013 HG2 :: 2.373 HG3 :: 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 :: 121.754 Ave N Shift Values>> N :: 120.68(3.68) 1.E98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.3 M 0.19 E 0.1 R 0.07 C Shift Assignments>> C :: 176.132 CA :: 57.666 CB :: 30.045 CG :: 33.000 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 :: 8.328 HA :: 4.240 HB2 :: 1.999 HB3 :: 1.999 HG2 :: 2.268 HG3 :: 2.268 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.414 Ave N Shift Values>> N :: 120.68(3.68) 1.E99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.28 M 0.23 E 0.1 R 0.06 C Shift Assignments>> C :: 177.021 CA :: 57.397 CB :: 30.309 CG :: 33.000 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 :: 8.418 HA :: 4.299 HB2 :: 2.016 HB3 :: 2.016 HG2 :: 2.399 HG3 :: 2.399 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.312 Ave N Shift Values>> N :: 120.68(3.68) 1.R100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 K 0.18 G 0.09 L 0.02 HN Overlap>> 1.V74 1.V74 C Shift Assignments>> C :: 176.313 CA :: 57.238 CB :: 30.298 CG :: 27.165 CD :: 43.200 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 :: 8.013 HA :: 4.180 HB2 :: 1.749 HB3 :: 1.749 HG2 :: 1.663 HG3 :: 1.663 HD2 :: 3.192 HD3 :: 3.192 HE :: 7.094 HH11 :: 6.671 HH12 :: 6.671 HH21 :: 6.671 HH22 :: 6.671 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 :: 121.871 NE :: 108.571 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.R101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.67 K 0.22 G 0.09 C Shift Assignments>> C :: 176.753 CA :: 56.492 CB :: 30.838 CG :: 27.165 CD :: 43.200 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 :: 8.260 HA :: 4.260 HB2 :: 1.768 HB3 :: 1.768 HG2 :: 1.578 HG3 :: 1.578 HD2 :: 3.222 HD3 :: 3.222 HE :: 7.094 HH11 :: 6.671 HH12 :: 6.671 HH21 :: 6.671 HH22 :: 6.671 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 :: 122.019 NE :: 108.571 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.G102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 173.145 CA :: 45.401 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.380 HA2 :: 3.849 HA3 :: 3.849 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.110 Ave N Shift Values>> N :: 109.91(4.29) 1.H103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.5 W 0.49 C Shift Assignments>> CA :: 57.164 CB :: 29.612 CD2 :: 119.982 CE1 :: 136.494 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.992 HA :: 4.442 HB2 :: 3.202 HB3 :: 3.043 HD2 :: 6.884 HE1 :: 8.577 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 :: 122.017 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) ########################################################################### Overall Results: #Consistent: 103 #Clerical: 0 #Suspicious: 0 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 102 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 1 Shift Relative Order (SRO) Results: #Consistent: 103 #Suspicious: 0 C Shift Results: #Consistent: 411 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 744 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 N Shift Results: #Consistent: 113 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0