============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 14 0.840 19.287 -6.575 35.433 -99.200 -91.000 TYR 15 0.840 20.890 -9.409 27.403 -99.200 -91.000 PHE 38 1.000 21.343 2.574 19.963 -99.200 -91.000 HIS 45 0.900 36.078 -7.232 21.953 -99.200 -91.000 PHE 47 1.000 36.124 -11.047 26.013 -99.200 -91.000 HIS 49 0.900 28.159 -14.612 21.887 -99.200 -91.000 TYR 51 0.840 30.813 -7.432 13.103 -99.200 -91.000 TYR 52 0.840 24.952 -0.343 12.555 -99.200 -91.000 TYR 60 0.840 26.281 4.475 8.535 -99.200 -91.000 TYR 68 0.840 37.945 8.136 25.188 -99.200 -91.000 TYR 71 0.840 30.649 3.719 29.021 -99.200 -91.000 TRP 76 1.040 31.908 2.941 23.923 -99.200 -91.000 TRP6 76 1.020 31.261 4.689 22.467 -99.200 -91.000 HIS 89 0.900 10.133 -9.374 22.363 -99.200 -91.000 PHE 108 1.000 31.162 -0.926 26.140 -99.200 -91.000 PHE 109 1.000 31.628 -4.477 22.849 -99.200 -91.000 TRP 115 1.040 26.076 -6.545 27.813 -99.200 -91.000 TRP6 115 1.020 27.766 -4.978 27.295 -99.200 -91.000 TYR 123 0.840 17.418 14.037 31.735 -99.200 -91.000 PHE 136 1.000 16.049 4.784 21.188 -99.200 -91.000 PHE 137 1.000 12.488 7.660 26.817 -99.200 -91.000 HIS 145 0.900 1.412 10.937 18.220 -99.200 -91.000 PHE 150 1.000 13.869 5.434 31.315 -99.200 -91.000 HIS 169 0.900 -0.833 1.551 37.875 -99.200 -91.000 TYR 172 0.840 3.378 0.244 41.340 -99.200 -91.000 TRP 177 1.040 6.288 6.536 49.300 -99.200 -91.000 TRP6 177 1.020 5.656 8.420 50.582 -99.200 -91.000 TYR 178 0.840 6.339 9.510 41.373 -99.200 -91.000 TRP 185 1.040 23.871 16.276 36.095 -99.200 -91.000 TRP6 185 1.020 26.164 16.672 36.518 -99.200 -91.000 TYR 186 0.840 26.534 12.086 35.352 -99.200 -91.000 TYR 187 0.840 17.526 9.539 34.135 -99.200 -91.000 TYR 208 0.840 24.525 10.559 54.429 -99.200 -91.000 TYR 210 0.840 33.174 15.303 47.477 -99.200 -91.000 PHE 229 1.000 33.673 1.204 51.049 -99.200 -91.000 PHE 245 1.000 32.103 -12.217 56.830 -99.200 -91.000 PHE 249 1.000 32.474 -9.781 52.164 -99.200 -91.000 TRP 250 1.040 34.715 -6.559 55.562 -99.200 -91.000 TRP6 250 1.020 32.371 -6.479 55.883 -99.200 -91.000 TRP 258 1.040 28.651 -18.198 54.944 -99.200 -91.000 TRP6 258 1.020 28.486 -16.075 53.918 -99.200 -91.000 TRP 265 1.040 20.334 -15.053 53.212 -99.200 -91.000 TRP6 265 1.020 21.537 -13.909 51.528 -99.200 -91.000 PHE 268 1.000 26.583 -10.513 56.013 -99.200 -91.000 TYR 274 0.840 15.597 7.314 56.296 -99.200 -91.000 PHE 284 1.000 11.257 8.234 48.251 -99.200 -91.000 TYR 293 0.840 24.203 -5.451 52.441 -99.200 -91.000 TYR 308 0.840 25.895 -15.067 48.570 -99.200 -91.000 PHE 310 1.000 30.379 -4.706 51.393 -99.200 -91.000 PHE 329 1.000 13.746 -1.075 46.527 -99.200 -91.000 TYR 330 0.840 7.344 -0.249 37.818 -99.200 -91.000 PHE 333 1.000 15.167 5.659 35.914 -99.200 -91.000 PHE 342 1.000 13.914 5.108 43.805 -99.200 -91.000 HIS 348 0.900 8.799 -8.490 47.504 -99.200 -91.000 HIS 350 0.900