============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. PHE 17 1.000 -44.077 50.268 37.070 -99.200 -91.000 PHE 18 1.000 -50.583 44.425 38.537 -99.200 -91.000 TYR 19 0.840 -43.959 46.346 32.364 -99.200 -91.000 HIS 27 0.900 -53.034 49.122 38.413 -99.200 -91.000 HIS 33 0.900 -40.368 52.866 51.465 -99.200 -91.000 TRP 42 1.040 -27.887 56.595 63.274 -99.200 -91.000 TRP6 42 1.020 -29.021 55.263 64.851 -99.200 -91.000 TYR 43 0.840 -32.294 57.409 53.901 -99.200 -91.000 HIS 45 0.900 -36.133 52.651 53.236 -99.200 -91.000 TYR 55 0.840 -48.016 41.263 52.053 -99.200 -91.000 TYR 69 0.840 -57.578 44.232 30.624 -99.200 -91.000 TRP 89 1.040 -36.380 37.561 57.864 -99.200 -91.000 TRP6 89 1.020 -35.258 38.592 56.068 -99.200 -91.000 TYR 98 0.840 -31.937 48.833 64.291 -99.200 -91.000 TRP 103 1.040 -29.725 53.003 48.770 -99.200 -91.000 TRP6 103 1.020 -28.763 54.910 47.714 -99.200 -91.000 PHE 115 1.000 -13.812 45.689 60.748 -99.200 -91.000 TYR 119 0.840 -9.536 42.814 58.291 -99.200 -91.000 TYR 131 0.840 -9.996 49.725 47.159 -99.200 -91.000 PHE 132 1.000 -12.862 46.155 54.674 -99.200 -91.000 TYR 135 0.840 -23.460 51.968 47.483 -99.200 -91.000 PHE 136 1.000 -21.103 47.166 47.550 -99.200 -91.000 PHE 139 1.000 -17.071 47.867 57.069 -99.200 -91.000 TRP 143 1.040 -23.753 50.516 64.236 -99.200 -91.000 TRP6 143 1.020 -25.981 50.474 65.056 -99.200 -91.000 TRP 168 1.040 -38.871 42.597 54.257 -99.200 -91.000 TRP6 168 1.020 -39.275 41.447 56.284 -99.200 -91.000 PHE 171 1.000 -38.855 34.666 55.801 -99.200 -91.000 TYR 179 0.840 -34.885 30.353 46.699 -99.200 -91.000 TRP 198 1.040 -24.027 33.570 50.572 -99.200 -91.000 TRP6 198 1.020 -24.496 35.854 50.244 -99.200 -91.000 PHE 206 1.000 -17.512 43.116 56.654 -99.200 -91.000 PHE 224 1.000 -35.399 34.190 42.146 -99.200 -91.000 HIS 231 0.900 -50.838 39.456 55.470 -99.200 -91.000 TYR 235 0.840 -51.236 39.189 43.165 -99.200 -91.000 PHE 257 1.000 -29.818 42.687 27.041 -99.200 -91.000 TYR 266 0.840 -29.259 61.241 35.110 -99.200 -91.000 PHE 271 1.000 -27.331 54.347 42.273 -99.200 -91.000 TYR 282 0.840 -10.644 42.475 40.400 -99.200 -91.000 TYR 293 0.840 -26.647 40.669 31.486 -99.200 -91.000 PHE 295 1.000 -30.776 37.603 31.085 -99.200 -91.000 TYR 303 0.840 -17.963 39.153 36.542 -99.200 -91.000 TRP 318 1.040 -31.801 68.039 53.286 -99.200 -91.000 TRP6 318 1.020 -31.055 70.233 52.761 -99.200 -91.000 PHE 346 1.000 -26.746 71.824 48.197 -99.200 -91.000 PHE 350 1.000 -27.898 66.945 51.531 -99.200 -91.000 TYR 354 0.840 -22.759 57.127 48.699 -99.200 -91.000 TRP 358 1.040 -15.771 55.016 46.217 -99.200 -91.000 TRP6 358 1.020 -17.975 54.361 46.759 -99.200 -91.000 TYR 367 0.840 -18.046 75.269 49.635 -99.200 -91.000 PHE 371 1.000 -27.021 90.218 52.523 -99.200 -91.000 HIS 377 0.900 -30.064 82.524 42.023 -99.200 -91.000 PHE 388 1.000 -20.074 71.107 37.883 -99.200 -91.000 HIS 407 0.900 -17.702 54.716 20.157 -99.200 -91.000 PHE 421 1.000 -30.274 66.780 35.770 -99.200 -91.000 PHE 424 1.000 -24.481 72.106 34.285 -99.200 -91.000 TYR 438 0.840 -39.415 51.364 26.105 -99.200 -91.000 TRP 457 1.040 -41.918 38.073 25.301 -99.200 -91.000 TRP6 457 1.020 -41.224 38.660 27.472 -99.200 -91.000 PHE 474 1.000 -31.180 66.071 26.002 -99.200 -91.000 HIS 475 0.900 -23.711 64.332 19.965 -99.200 -91.000 TRP 490 1.040 -17.387 69.160 41.132 -99.200 -91.000 TRP6 490 1.020 -19.300 68.941 42.536 -99.200 -91.000