============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 1 0.840 -25.546 36.993 28.973 -99.200 -91.000 TYR 18 0.840 -11.870 43.526 31.472 -99.200 -91.000 TYR 28 0.840 2.492 34.682 32.300 -99.200 -91.000 PHE 30 1.000 2.335 23.307 32.970 -99.200 -91.000 HIS 32 0.900 -7.849 28.873 36.761 -99.200 -91.000 TYR 34 0.840 -11.509 26.266 37.705 -99.200 -91.000 HIS 36 0.900 -1.911 19.633 36.762 -99.200 -91.000 PHE 38 1.000 -8.349 15.390 35.542 -99.200 -91.000 TYR 43 0.840 -14.204 22.648 34.737 -99.200 -91.000 PHE 53 1.000 -15.124 23.648 27.326 -99.200 -91.000 TYR 59 0.840 -7.277 15.598 26.988 -99.200 -91.000 TRP 65 1.040 -2.921 27.478 29.038 -99.200 -91.000 TRP6 65 1.020 -0.831 26.948 28.067 -99.200 -91.000 PHE 68 1.000 -12.607 21.253 29.993 -99.200 -91.000 HIS 80 0.900 -16.127 33.357 16.801 -99.200 -91.000 PHE 83 1.000 -7.726 34.245 8.994 -99.200 -91.000 TYR 85 0.840 0.678 34.843 17.406 -99.200 -91.000 HIS 94 0.900 -25.110 31.162 21.599 -99.200 -91.000 HIS 99 0.900 -9.508 33.879 23.903 -99.200 -91.000 HIS 102 0.900 -6.769 30.229 20.163 -99.200 -91.000 PHE 104 1.000 -4.616 24.720 19.675 -99.200 -91.000 TYR 116 0.840 -13.477 21.956 21.893 -99.200 -91.000 PHE 125 1.000 -15.530 21.727 39.390 -99.200 -91.000 TYR 135 0.840 -25.268 26.044 36.236 -99.200 -91.000