============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 15 0.840 49.614 17.766 40.488 -99.200 -91.000 HIS 22 0.900 36.439 4.632 41.705 -99.200 -91.000 TYR 31 0.840 41.700 8.205 47.139 -99.200 -91.000 TYR 34 0.840 54.756 14.433 41.538 -99.200 -91.000 HIS 45 0.900 63.070 8.290 51.553 -99.200 -91.000 PHE 48 1.000 54.471 10.130 57.507 -99.200 -91.000 TYR 50 0.840 50.599 7.215 53.464 -99.200 -91.000 TYR 60 0.840 44.431 23.291 44.650 -99.200 -91.000 TRP 70 1.040 43.679 30.976 56.873 -99.200 -91.000 TRP6 70 1.020 44.801 31.461 54.852 -99.200 -91.000 TYR 79 0.840 40.418 26.949 61.192 -99.200 -91.000 PHE 101 1.000 53.027 26.185 51.926 -99.200 -91.000 PHE 105 1.000 55.193 18.695 45.689 -99.200 -91.000 TYR 134 0.840 41.418 37.746 30.396 -99.200 -91.000 PHE 145 1.000 50.949 36.699 39.464 -99.200 -91.000 PHE 146 1.000 46.317 36.896 36.734 -99.200 -91.000 PHE 154 1.000 51.252 39.578 35.056 -99.200 -91.000 TRP 158 1.040 41.849 41.873 40.632 -99.200 -91.000 TRP6 158 1.020 41.048 39.757 41.323 -99.200 -91.000 TYR 160 0.840 37.608 40.073 31.439 -99.200 -91.000 PHE 169 1.000 37.459 35.198 39.110 -99.200 -91.000 TYR 187 0.840 37.078 30.572 30.333 -99.200 -91.000 TYR 189 0.840 41.237 27.437 34.191 -99.200 -91.000 TYR 198 0.840 47.329 14.977 33.309 -99.200 -91.000 TYR 219 0.840 52.184 22.772 42.398 -99.200 -91.000 TRP 253 1.040 52.150 9.551 38.343 -99.200 -91.000 TRP6 253 1.020 50.279 8.115 38.182 -99.200 -91.000 TRP 254 1.040 52.674 16.620 34.048 -99.200 -91.000 TRP6 254 1.020 52.552 16.187 36.368 -99.200 -91.000 TYR 255 0.840 55.653 15.698 29.712 -99.200 -91.000