============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 30 0.840 21.336 31.861 59.073 -99.200 -91.000 TYR 36 0.840 18.947 34.470 63.609 -99.200 -91.000 TRP 39 1.040 8.522 31.839 72.646 -99.200 -91.000 TRP6 39 1.020 6.605 30.480 72.372 -99.200 -91.000 HIS 53 0.900 16.120 39.476 71.822 -99.200 -91.000 PHE 75 1.000 12.951 26.236 69.264 -99.200 -91.000 TYR 90 0.840 1.487 34.934 76.186 -99.200 -91.000 TYR 91 0.840 -0.221 35.125 67.455 -99.200 -91.000 HIS 97 0.900 14.916 27.133 58.234 -99.200 -91.000 PHE 98 1.000 12.379 35.695 52.398 -99.200 -91.000 TYR 100 0.840 11.965 36.721 57.880 -99.200 -91.000 PHE 102 1.000 4.138 36.129 62.408 -99.200 -91.000 PHE 122 1.000 -31.593 47.468 78.742 -99.200 -91.000 PHE 139 1.000 -26.850 45.399 76.751 -99.200 -91.000 PHE 143 1.000 -21.287 35.517 80.739 -99.200 -91.000 TYR 144 0.840 -14.034 32.083 84.627 -99.200 -91.000 TRP 152 1.040 -33.582 36.488 72.506 -99.200 -91.000 TRP6 152 1.020 -34.369 38.357 73.719 -99.200 -91.000 TRP 167 1.040 -20.796 35.233 73.516 -99.200 -91.000 TRP6 167 1.020 -21.639 34.682 71.375 -99.200 -91.000 TYR 177 0.840 -14.730 35.125 79.226 -99.200 -91.000 TYR 190 0.840 -42.532 45.040 70.938 -99.200 -91.000 HIS 193 0.900 -45.808 37.580 68.962 -99.200 -91.000 TYR 196 0.840 -41.886 40.415 72.917 -99.200 -91.000 HIS 202 0.900 -22.574 30.915 83.854 -99.200 -91.000 PHE 213 1.000 -40.428 43.460 77.174 -99.200 -91.000