============================================================================= 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. TYR 12 0.840 64.491 -6.588 71.894 -99.200 -91.000 TRP 15 1.040 63.303 -9.170 78.959 -99.200 -91.000 TRP6 15 1.020 64.218 -7.081 78.354 -99.200 -91.000 PHE 30 1.000 56.793 -2.899 78.841 -99.200 -91.000 TYR 35 0.840 74.305 -9.847 79.432 -99.200 -91.000 PHE 37 1.000 80.162 -7.496 80.834 -99.200 -91.000 TYR 42 0.840 83.739 1.593 80.255 -99.200 -91.000 PHE 45 1.000 73.599 -6.197 77.355 -99.200 -91.000 TYR 68 0.840 51.547 2.559 71.387 -99.200 -91.000 TRP 72 1.040 67.756 3.107 75.114 -99.200 -91.000 TRP6 72 1.020 68.224 0.789 75.311 -99.200 -91.000 TYR 76 0.840 78.172 3.428 79.657 -99.200 -91.000 TYR 101 0.840 33.402 15.146 69.577 -99.200 -91.000 PHE 106 1.000 31.555 13.572 73.785 -99.200 -91.000 PHE 122 1.000 44.030 9.302 71.892 -99.200 -91.000 PHE 136 1.000 26.814 10.206 81.610 -99.200 -91.000 HIS 148 0.900 41.813 8.119 83.561 -99.200 -91.000 PHE 167 1.000 44.583 -9.863 73.671 -99.200 -91.000 PHE 197 1.000 44.106 -4.683 108.145 -99.200 -91.000 TRP 199 1.040 39.126 2.973 113.096 -99.200 -91.000 TRP6 199 1.020 37.783 3.268 115.021 -99.200 -91.000 PHE 203 1.000 36.804 11.641 109.092 -99.200 -91.000 PHE 206 1.000 32.147 9.570 106.086 -99.200 -91.000 TYR 225 0.840 31.244 14.070 118.014 -99.200 -91.000 TRP 247 1.040 31.396 7.932 95.596 -99.200 -91.000 TRP6 247 1.020 33.017 9.592 96.065 -99.200 -91.000 TYR 260 0.840 47.299 -12.243 102.343 -99.200 -91.000 TRP 265 1.040 55.481 -14.248 87.935 -99.200 -91.000 TRP6 265 1.020 56.717 -13.916 85.956 -99.200 -91.000 TRP 274 1.040 48.362 -15.925 91.854 -99.200 -91.000 TRP6 274 1.020 46.797 -16.371 93.571 -99.200 -91.000 PHE 298 1.000 51.168 -11.624 87.321 -99.200 -91.000