============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 8 1.000 19.962 58.476 172.914 -99.200 -91.000 PHE 16 1.000 25.638 57.045 173.804 -99.200 -91.000 HIS 20 0.900 30.223 55.704 176.720 -99.200 -91.000 HIS 40 0.900 14.505 60.974 183.558 -99.200 -91.000 TYR 44 0.840 17.361 57.627 186.660 -99.200 -91.000 TYR 48 0.840 18.198 46.171 178.021 -99.200 -91.000 HIS 49 0.900 16.680 47.506 186.045 -99.200 -91.000 PHE 51 1.000 25.626 55.365 180.099 -99.200 -91.000 TYR 57 0.840 19.784 68.419 180.975 -99.200 -91.000 TYR 61 0.840 27.720 70.665 172.375 -99.200 -91.000 TYR 63 0.840 28.085 68.622 178.095 -99.200 -91.000 TRP 82 1.040 23.594 63.181 159.652 -99.200 -91.000 TRP6 82 1.020 23.249 62.314 161.823 -99.200 -91.000 PHE 97 1.000 12.926 60.069 158.558 -99.200 -91.000 HIS 106 0.900 19.787 60.341 158.120 -99.200 -91.000 HIS 133 0.900 29.907 38.325 158.424 -99.200 -91.000 TYR 136 0.840 29.798 47.090 153.647 -99.200 -91.000 HIS 141 0.900 26.547 46.180 148.763 -99.200 -91.000 HIS 142 0.900 28.057 53.933 149.010 -99.200 -91.000 PHE 164 1.000 20.250 18.226 160.185 -99.200 -91.000 HIS 175 0.900 8.986 40.769 168.975 -99.200 -91.000 TYR 177 0.840 4.499 45.283 176.367 -99.200 -91.000 HIS 188 0.900 -0.991 50.378 164.767 -99.200 -91.000 PHE 223 1.000 11.585 30.770 157.419 -99.200 -91.000 TYR 271 0.840 22.843 23.152 172.062 -99.200 -91.000 HIS 286 0.900 25.230 34.542 172.266 -99.200 -91.000 PHE 305 1.000 9.529 25.984 170.530 -99.200 -91.000 TRP 307 1.040 14.530 31.105 174.911 -99.200 -91.000 TRP6 307 1.020 12.554 31.956 175.893 -99.200 -91.000 TYR 308 0.840 13.780 37.130 168.533 -99.200 -91.000 TRP 312 1.040 22.404 43.878 175.458 -99.200 -91.000 TRP6 312 1.020 22.703 46.117 176.143 -99.200 -91.000 TYR 314 0.840 18.085 44.925 164.927 -99.200 -91.000