============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 2 1.000 48.906-163.652 39.720 -99.200 -91.000 TYR 5 0.840 53.435-162.250 31.460 -99.200 -91.000 PHE 20 1.000 86.203-162.503 19.950 -99.200 -91.000 TYR 33 0.840 61.368-145.889 41.146 -99.200 -91.000 TYR 39 0.840 77.540-162.460 40.910 -99.200 -91.000 PHE 44 1.000 72.017-168.609 34.102 -99.200 -91.000 PHE 57 1.000 57.941-162.942 35.464 -99.200 -91.000 PHE 68 1.000 69.502-174.265 24.519 -99.200 -91.000 TRP 74 1.040 65.826-185.351 27.841 -99.200 -91.000 TRP6 74 1.020 65.345-187.661 27.990 -99.200 -91.000 TYR 75 0.840 71.283-182.603 19.212 -99.200 -91.000 HIS 76 0.900 74.935-183.315 24.808 -99.200 -91.000 PHE 77 1.000 70.340-188.786 28.673 -99.200 -91.000 HIS 79 0.900 69.733-186.980 17.767 -99.200 -91.000 HIS 95 0.900 60.009-175.210 16.227 -99.200 -91.000 TYR 98 0.840 54.590-169.056 17.112 -99.200 -91.000 PHE 102 1.000 48.100-168.119 20.311 -99.200 -91.000 PHE 103 1.000 50.762-167.428 30.892 -99.200 -91.000 TYR 105 0.840 58.727-169.741 28.463 -99.200 -91.000 TYR 106 0.840 57.075-158.719 29.764 -99.200 -91.000 HIS 108 0.900 62.519-158.498 24.402 -99.200 -91.000 TYR 123 0.840 72.015-167.995 15.442 -99.200 -91.000 PHE 125 1.000 66.741-167.180 19.951 -99.200 -91.000 TYR 131 0.840 65.853-168.382 14.744 -99.200 -91.000 PHE 149 1.000 79.863-147.425 22.315 -99.200 -91.000 PHE 156 1.000 84.493-150.685 12.089 -99.200 -91.000 TYR 160 0.840 79.990-142.262 4.488 -99.200 -91.000 TYR 173 0.840 83.637-158.259 12.655 -99.200 -91.000 PHE 187 1.000 76.682-154.404 30.004 -99.200 -91.000 HIS 194 0.900 67.400-148.255 32.381 -99.200 -91.000 PHE 215 1.000 81.671-159.076 39.057 -99.200 -91.000 TYR 216 0.840 86.168-156.500 33.553 -99.200 -91.000