============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 6 1.000 21.584 27.185 72.496 -99.200 -91.000 TYR 25 0.840 25.357 31.321 81.706 -99.200 -91.000 HIS 38 0.900 25.485 26.641 69.579 -99.200 -91.000 TRP 43 1.040 16.678 26.577 58.001 -99.200 -91.000 TRP6 43 1.020 17.671 27.557 56.108 -99.200 -91.000 TYR 51 0.840 25.589 17.655 64.159 -99.200 -91.000 PHE 58 1.000 29.046 10.368 75.507 -99.200 -91.000 PHE 59 1.000 26.359 16.947 78.210 -99.200 -91.000 PHE 65 1.000 21.178 16.363 76.777 -99.200 -91.000 TYR 70 0.840 11.283 26.410 66.832 -99.200 -91.000 TRP 96 1.040 25.516 2.364 81.742 -99.200 -91.000 TRP6 96 1.020 23.811 3.885 81.162 -99.200 -91.000 PHE 103 1.000 31.388 8.519 84.798 -99.200 -91.000 TYR 110 0.840 20.524 12.389 81.065 -99.200 -91.000 TYR 112 0.840 17.600 15.080 74.097 -99.200 -91.000 HIS 127 0.900 18.738 8.411 74.205 -99.200 -91.000 TYR 129 0.840 7.452 10.101 74.294 -99.200 -91.000 TYR 133 0.840 4.407 17.174 80.140 -99.200 -91.000 PHE 149 1.000 17.576 34.149 68.276 -99.200 -91.000 TYR 150 0.840 8.438 31.038 67.346 -99.200 -91.000 HIS 161 0.900 11.611 30.231 82.392 -99.200 -91.000 PHE 166 1.000 7.408 26.314 84.636 -99.200 -91.000 HIS 178 0.900 -2.003 11.856 67.658 -99.200 -91.000 PHE 183 1.000 14.724 12.424 61.520 -99.200 -91.000 HIS 204 0.900 32.807 17.828 57.856 -99.200 -91.000 PHE 206 1.000 39.009 14.200 63.553 -99.200 -91.000 TRP 210 1.040 31.431 8.914 61.453 -99.200 -91.000 TRP6 210 1.020 30.559 10.293 63.159 -99.200 -91.000 HIS 214 0.900 24.149 0.628 65.634 -99.200 -91.000 TYR 225 0.840 35.548 -4.168 65.847 -99.200 -91.000 PHE 239 1.000 36.915 4.068 49.356 -99.200 -91.000 PHE 247 1.000 39.861 6.723 63.136 -99.200 -91.000 TYR 259 0.840 36.147 4.334 61.628 -99.200 -91.000 TYR 265 0.840 24.815 4.574 63.270 -99.200 -91.000 TYR 277 0.840 37.561 16.908 55.144 -99.200 -91.000 TYR 279 0.840 40.140 9.945 47.102 -99.200 -91.000 HIS 280 0.900 36.236 18.245 46.775 -99.200 -91.000