============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 2 1.000 8.759 63.932 79.203 -99.200 -91.000 PHE 6 1.000 17.692 66.736 84.392 -99.200 -91.000 TYR 9 0.840 14.323 68.803 93.791 -99.200 -91.000 PHE 11 1.000 23.370 68.164 86.808 -99.200 -91.000 TYR 12 0.840 22.332 64.937 95.308 -99.200 -91.000 TRP 26 1.040 33.133 68.399 80.512 -99.200 -91.000 TRP6 26 1.020 31.479 66.858 79.813 -99.200 -91.000 TYR 42 0.840 24.636 69.400 62.426 -99.200 -91.000 PHE 46 1.000 28.547 81.105 63.408 -99.200 -91.000 PHE 50 1.000 30.179 92.104 63.812 -99.200 -91.000 PHE 62 1.000 17.273 74.238 68.051 -99.200 -91.000 PHE 66 1.000 17.951 68.427 70.885 -99.200 -91.000 TYR 75 0.840 33.572 66.898 85.103 -99.200 -91.000 HIS 80 0.900 36.121 65.490 90.544 -99.200 -91.000 TYR 85 0.840 20.529 67.194 80.563 -99.200 -91.000 TRP 91 1.040 13.316 67.596 70.770 -99.200 -91.000 TRP6 91 1.020 13.315 69.757 69.799 -99.200 -91.000 PHE 101 1.000 10.788 87.110 82.904 -99.200 -91.000 PHE 139 1.000 25.823 98.054 97.148 -99.200 -91.000 HIS 143 0.900 23.838 99.390 93.293 -99.200 -91.000 TYR 146 0.840 24.125 101.874 87.011 -99.200 -91.000 TYR 174 0.840 31.188 90.454 109.349 -99.200 -91.000 HIS 227 0.900 15.031 85.415 93.022 -99.200 -91.000 HIS 247 0.900 16.063 79.913 98.430 -99.200 -91.000 TYR 248 0.840 17.743 81.363 93.072 -99.200 -91.000 PHE 263 1.000 37.626 83.700 69.782 -99.200 -91.000 TYR 266 0.840 38.704 74.435 79.593 -99.200 -91.000 HIS 281 0.900 21.721 81.185 74.892 -99.200 -91.000 TRP 292 1.040 15.733 86.307 82.938 -99.200 -91.000 TRP6 292 1.020 17.639 87.611 82.404 -99.200 -91.000 HIS 293 0.900 21.760 81.046 79.315 -99.200 -91.000 HIS 299 0.900 39.822 87.449 72.654 -99.200 -91.000 TRP 302 1.040 41.705 91.062 73.177 -99.200 -91.000 TRP6 302 1.020 43.808 91.999 73.730 -99.200 -91.000 TRP 316 1.040 26.335 84.021 63.325 -99.200 -91.000 TRP6 316 1.020 25.568 82.646 61.559 -99.200 -91.000 PHE 324 1.000 15.738 77.375 63.662 -99.200 -91.000 TYR 333 0.840 25.562 95.171 76.919 -99.200 -91.000 TYR 334 0.840 31.760 91.290 82.882 -99.200 -91.000 TYR 411 0.840 35.196 98.325 70.033 -99.200 -91.000 TYR 415 0.840 39.646 94.528 71.664 -99.200 -91.000 PHE 424 1.000 28.500 107.667 91.731 -99.200 -91.000 TYR 428 0.840 27.211 109.806 87.345 -99.200 -91.000 TYR 439 0.840 30.602 109.216 81.817 -99.200 -91.000 TYR 443 0.840 25.612 109.509 76.463 -99.200 -91.000 PHE 457 1.000 22.141 107.501 69.290 -99.200 -91.000