============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 27 1.000 -29.399 33.245-189.102 -99.200 -91.000 TYR 32 0.840 -28.498 37.413-192.262 -99.200 -91.000 TRP 36 1.040 -32.786 40.766-178.120 -99.200 -91.000 TRP6 36 1.020 -33.329 38.579-177.453 -99.200 -91.000 TRP 47 1.040 -36.598 47.491-182.431 -99.200 -91.000 TRP6 47 1.020 -35.733 49.579-181.780 -99.200 -91.000 TYR 56 0.840 -28.221 51.298-185.510 -99.200 -91.000 HIS 58 0.900 -31.784 53.835-182.280 -99.200 -91.000 TYR 59 0.840 -30.023 49.545-175.897 -99.200 -91.000 PHE 67 1.000 -35.297 45.582-171.088 -99.200 -91.000 TYR 79 0.840 -25.016 36.136-175.668 -99.200 -91.000 TYR 93 0.840 -38.758 40.913-173.160 -99.200 -91.000 TYR 94 0.840 -42.184 36.647-180.038 -99.200 -91.000 TYR 105 0.840 -23.459 53.281-187.361 -99.200 -91.000 PHE 111 1.000 -37.944 43.657-186.842 -99.200 -91.000 TRP 114 1.040 -40.376 37.336-186.524 -99.200 -91.000 TRP6 114 1.020 -41.176 39.059-185.115 -99.200 -91.000 PHE 133 1.000 -56.095 19.214-158.294 -99.200 -91.000 TYR 156 0.840 -50.029 27.795-164.552 -99.200 -91.000 PHE 157 1.000 -46.523 34.714-160.671 -99.200 -91.000 TRP 165 1.040 -54.089 16.016-173.755 -99.200 -91.000 TRP6 165 1.020 -55.170 15.043-171.896 -99.200 -91.000 HIS 175 0.900 -60.810 22.299-179.053 -99.200 -91.000 PHE 177 1.000 -60.873 25.296-173.278 -99.200 -91.000 TYR 187 0.840 -51.128 33.656-164.646 -99.200 -91.000 TYR 205 0.840 -57.442 8.508-174.504 -99.200 -91.000 HIS 211 0.900 -44.746 26.595-163.601 -99.200 -91.000