============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TRP 13 1.040 71.558 50.792 64.742 -99.200 -91.000 TRP6 13 1.020 72.419 52.662 65.899 -99.200 -91.000 HIS 14 0.900 69.947 47.362 60.712 -99.200 -91.000 TRP 22 1.040 67.777 61.414 64.484 -99.200 -91.000 TRP6 22 1.020 69.225 59.573 64.259 -99.200 -91.000 PHE 35 1.000 78.582 58.623 70.055 -99.200 -91.000 PHE 41 1.000 91.050 56.961 73.364 -99.200 -91.000 TYR 44 0.840 81.410 62.863 73.932 -99.200 -91.000 HIS 45 0.900 81.392 56.901 80.137 -99.200 -91.000 PHE 57 1.000 73.552 57.596 61.420 -99.200 -91.000 PHE 63 1.000 74.523 54.896 57.403 -99.200 -91.000 TYR 65 0.840 73.759 50.403 58.995 -99.200 -91.000 HIS 68 0.900 74.863 41.380 58.195 -99.200 -91.000 PHE 69 1.000 81.905 41.733 59.182 -99.200 -91.000 TYR 75 0.840 73.860 42.260 66.106 -99.200 -91.000 PHE 79 1.000 79.008 54.147 58.442 -99.200 -91.000 PHE 95 1.000 71.660 46.054 70.385 -99.200 -91.000