============================================================================= 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. TRP 20 1.040 68.419 38.795 84.197 -99.200 -91.000 TRP6 20 1.020 67.732 36.683 83.361 -99.200 -91.000 HIS 28 0.900 85.099 33.491 86.473 -99.200 -91.000 PHE 37 1.000 90.316 26.088 72.005 -99.200 -91.000 TRP 40 1.040 88.921 19.928 76.222 -99.200 -91.000 TRP6 40 1.020 88.945 18.206 77.850 -99.200 -91.000 HIS 61 0.900 76.240 13.322 92.632 -99.200 -91.000 TRP 91 1.040 77.420 5.252 70.592 -99.200 -91.000 TRP6 91 1.020 78.072 6.807 68.922 -99.200 -91.000 TYR 92 0.840 79.305 11.480 70.374 -99.200 -91.000 HIS 95 0.900 81.110 3.015 68.994 -99.200 -91.000 TYR 115 0.840 87.506 15.546 60.281 -99.200 -91.000 TRP 126 1.040 61.142 25.393 78.534 -99.200 -91.000 TRP6 126 1.020 59.522 23.707 78.144 -99.200 -91.000 PHE 128 1.000 63.503 15.633 75.965 -99.200 -91.000 TRP 131 1.040 68.704 14.248 74.592 -99.200 -91.000 TRP6 131 1.020 70.346 12.606 74.078 -99.200 -91.000 TYR 147 0.840 77.956 22.994 75.855 -99.200 -91.000 HIS 151 0.900 69.606 24.466 80.486 -99.200 -91.000 TYR 175 0.840 79.049 22.189 81.410 -99.200 -91.000 TRP 177 1.040 76.210 27.292 85.170 -99.200 -91.000 TRP6 177 1.020 74.158 28.350 85.634 -99.200 -91.000 PHE 229 1.000 52.589 8.078 63.757 -99.200 -91.000 TYR 249 0.840 48.589 12.777 73.602 -99.200 -91.000 PHE 262 1.000 49.337 11.829 65.542 -99.200 -91.000 PHE 272 1.000 45.802 7.319 63.988 -99.200 -91.000 PHE 276 1.000 46.273 9.985 68.994 -99.200 -91.000 PHE 299 1.000 51.585 28.137 86.194 -99.200 -91.000 HIS 306 0.900 42.100 27.067 76.243 -99.200 -91.000 TYR 332 0.840 48.945 18.955 86.647 -99.200 -91.000 TYR 333 0.840 45.147 22.703 77.121 -99.200 -91.000 PHE 347 1.000 48.507 20.317 57.783 -99.200 -91.000 PHE 352 1.000 57.863 22.248 72.738 -99.200 -91.000 HIS 366 0.900 45.010 15.089 50.265 -99.200 -91.000 PHE 376 1.000 57.326 24.690 62.526 -99.200 -91.000 PHE 383 1.000 53.645 2.831 62.446 -99.200 -91.000 PHE 402 1.000 62.951 7.747 63.550 -99.200 -91.000 TYR 406 0.840 56.743 2.917 69.471 -99.200 -91.000 PHE 415 1.000 66.832 15.381 66.695 -99.200 -91.000 PHE 423 1.000 71.545 27.121 59.914 -99.200 -91.000 HIS 429 0.900 79.673 10.925 60.189 -99.200 -91.000 PHE 430 1.000 76.133 12.925 59.801 -99.200 -91.000 HIS 433 0.900 83.770 14.595 61.639 -99.200 -91.000 PHE 435 1.000 79.191 23.635 66.795 -99.200 -91.000 TRP 442 1.040 99.259 19.020 48.855 -99.200 -91.000 TRP6 442 1.020 97.490 19.557 47.365 -99.200 -91.000