============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 3 0.900 37.664 21.714 28.243 -99.200 -91.000 PHE 14 1.000 52.999 43.137 24.426 -99.200 -91.000 PHE 39 1.000 52.401 35.162 31.054 -99.200 -91.000 TYR 40 0.840 54.445 27.588 32.718 -99.200 -91.000 TYR 44 0.840 41.417 24.446 26.630 -99.200 -91.000 PHE 51 1.000 33.119 30.068 39.450 -99.200 -91.000 PHE 54 1.000 36.162 29.230 43.550 -99.200 -91.000 TYR 60 0.840 33.447 33.156 45.654 -99.200 -91.000 PHE 67 1.000 26.428 43.000 44.549 -99.200 -91.000 PHE 71 1.000 23.643 45.309 34.556 -99.200 -91.000 PHE 73 1.000 21.873 40.612 23.362 -99.200 -91.000 TRP 82 1.040 22.919 46.094 24.097 -99.200 -91.000 TRP6 82 1.020 22.985 47.969 22.674 -99.200 -91.000 TRP 83 1.040 24.646 44.939 28.177 -99.200 -91.000 TRP6 83 1.020 25.120 42.637 28.448 -99.200 -91.000 TRP 91 1.040 28.220 29.926 39.509 -99.200 -91.000 TRP6 91 1.020 28.750 27.681 39.004 -99.200 -91.000 HIS 93 0.900 19.989 28.694 38.085 -99.200 -91.000 HIS 103 0.900 21.891 23.990 28.060 -99.200 -91.000 HIS 107 0.900 28.756 26.307 25.581 -99.200 -91.000 HIS 111 0.900 25.224 36.237 34.395 -99.200 -91.000 TRP 114 1.040 39.489 42.208 39.045 -99.200 -91.000 TRP6 114 1.020 40.496 42.441 41.173 -99.200 -91.000 TYR 120 0.840 38.841 28.696 38.798 -99.200 -91.000 TRP 123 1.040 40.054 26.126 45.107 -99.200 -91.000 TRP6 123 1.020 39.700 24.945 43.116 -99.200 -91.000 TRP 134 1.040 43.585 38.636 28.115 -99.200 -91.000 TRP6 134 1.020 43.101 39.504 25.978 -99.200 -91.000 TYR 136 0.840 54.507 38.282 24.976 -99.200 -91.000 HIS 143 0.900 55.426 44.749 15.531 -99.200 -91.000 PHE 147 1.000 40.767 40.847 13.507 -99.200 -91.000 TRP 149 1.040 42.640 35.649 12.863 -99.200 -91.000 TRP6 149 1.020 41.173 35.652 14.704 -99.200 -91.000 HIS 159 0.900 32.659 32.919 10.709 -99.200 -91.000 TYR 160 0.840 41.562 31.029 12.029 -99.200 -91.000 TRP 164 1.040 25.341 40.196 16.128 -99.200 -91.000 TRP6 164 1.020 23.904 39.821 17.973 -99.200 -91.000 PHE 168 1.000 24.662 44.236 19.760 -99.200 -91.000 PHE 178 1.000 29.820 27.183 18.756 -99.200 -91.000 PHE 187 1.000 34.745 29.453 16.708 -99.200 -91.000 TYR 192 0.840 52.716 33.538 22.276 -99.200 -91.000 TYR 195 0.840 42.346 25.699 21.738 -99.200 -91.000 TRP 202 1.040 33.563 41.808 26.785 -99.200 -91.000 TRP6 202 1.020 35.264 43.355 26.182 -99.200 -91.000 TRP 204 1.040 36.215 39.999 35.414 -99.200 -91.000 TRP6 204 1.020 35.757 42.307 35.727 -99.200 -91.000 TRP 208 1.040 43.351 49.589 40.697 -99.200 -91.000 TRP6 208 1.020 41.085 49.356 41.341 -99.200 -91.000 TRP 209 1.040 39.506 52.516 32.084 -99.200 -91.000 TRP6 209 1.020 39.468 51.454 29.976 -99.200 -91.000 HIS 212 0.900 44.800 60.312 30.500 -99.200 -91.000 HIS 213 0.900 47.251 53.215 28.428 -99.200 -91.000 TYR 237 0.840 27.372 35.730 24.024 -99.200 -91.000 HIS 240 0.900 28.701 43.372 13.206 -99.200 -91.000 TYR 243 0.840 27.669 46.152 19.609 -99.200 -91.000 TYR 245 0.840 37.345 46.707 14.598 -99.200 -91.000 TYR 247 0.840 35.771 41.770 16.007 -99.200 -91.000 PHE 266 1.000 37.669 33.394 36.094 -99.200 -91.000