============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 18 0.840 42.581 71.499 -12.499 -99.200 -91.000 PHE 33 1.000 46.571 50.767 -5.266 -99.200 -91.000 TYR 52 0.840 43.163 49.765 -1.229 -99.200 -91.000 TYR 53 0.840 48.080 52.932 5.177 -99.200 -91.000 TRP 58 1.040 46.420 66.330 -8.232 -99.200 -91.000 TRP6 58 1.020 45.620 64.986 -6.467 -99.200 -91.000 TRP 65 1.040 53.059 78.887 -1.648 -99.200 -91.000 TRP6 65 1.020 52.003 76.783 -1.572 -99.200 -91.000 TYR 70 0.840 51.230 83.823 -0.401 -99.200 -91.000 PHE 76 1.000 48.095 74.856 1.491 -99.200 -91.000 TRP 84 1.040 39.813 67.782 -10.251 -99.200 -91.000 TRP6 84 1.020 41.634 66.362 -10.720 -99.200 -91.000 TYR 91 0.840 38.525 51.152 -14.233 -99.200 -91.000 HIS 109 0.900 57.755 75.329 -3.065 -99.200 -91.000 PHE 115 1.000 42.853 62.333 -0.804 -99.200 -91.000 PHE 123 1.000 39.895 42.309 -4.930 -99.200 -91.000 PHE 142 1.000 42.434 50.088 -7.252 -99.200 -91.000 TRP 145 1.040 32.763 55.747 -13.738 -99.200 -91.000 TRP6 145 1.020 32.994 53.413 -13.741 -99.200 -91.000 TYR 147 0.840 38.595 63.885 -16.032 -99.200 -91.000 PHE 150 1.000 45.217 61.020 -26.585 -99.200 -91.000 TYR 166 0.840 49.607 41.660 4.466 -99.200 -91.000 TYR 167 0.840 47.484 41.907 11.942 -99.200 -91.000 TYR 172 0.840 43.158 35.053 4.067 -99.200 -91.000 HIS 185 0.900 44.646 53.124 -28.032 -99.200 -91.000 TYR 186 0.840 38.023 50.441 -23.908 -99.200 -91.000 TYR 193 0.840 39.228 55.466 -22.657 -99.200 -91.000 PHE 202 1.000 44.631 36.247 -1.428 -99.200 -91.000