============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 29 1.000 3.479 46.122 101.109 -99.200 -91.000 TYR 32 0.840 2.412 40.452 95.699 -99.200 -91.000 TRP 36 1.040 5.122 39.575 109.817 -99.200 -91.000 TRP6 36 1.020 7.415 40.078 110.112 -99.200 -91.000 TRP 47 1.040 -0.188 32.215 110.526 -99.200 -91.000 TRP6 47 1.020 -1.887 33.574 111.419 -99.200 -91.000 PHE 55 1.000 -8.124 44.303 103.009 -99.200 -91.000 TYR 60 0.840 -2.291 41.611 115.310 -99.200 -91.000 PHE 64 1.000 3.076 34.550 119.338 -99.200 -91.000 TYR 80 0.840 8.178 49.552 108.767 -99.200 -91.000 TYR 93 0.840 10.403 36.582 116.303 -99.200 -91.000 PHE 94 1.000 12.003 32.040 109.136 -99.200 -91.000 HIS 100 0.900 -3.336 31.229 100.594 -99.200 -91.000 TRP 105 1.040 8.534 30.610 103.110 -99.200 -91.000 TRP6 105 1.020 7.858 30.183 105.326 -99.200 -91.000 PHE 124 1.000 38.559 27.224 130.538 -99.200 -91.000 TYR 147 0.840 30.177 31.397 122.994 -99.200 -91.000 PHE 148 1.000 23.820 36.897 124.659 -99.200 -91.000 TRP 156 1.040 39.945 21.722 115.477 -99.200 -91.000 TRP6 156 1.020 40.925 21.928 117.612 -99.200 -91.000 HIS 166 0.900 32.202 14.837 114.837 -99.200 -91.000 PHE 168 1.000 29.704 17.491 120.340 -99.200 -91.000 TYR 178 0.840 23.757 31.604 123.497 -99.200 -91.000 TYR 196 0.840 46.957 17.416 116.686 -99.200 -91.000 HIS 202 0.900 31.895 36.589 120.635 -99.200 -91.000