============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 25 1.000 42.950 -3.376 42.065 -99.200 -91.000 HIS 29 0.900 26.984 4.577 38.610 -99.200 -91.000 PHE 31 1.000 24.158 7.553 36.922 -99.200 -91.000 TYR 32 0.840 23.704 5.501 44.311 -99.200 -91.000 PHE 48 1.000 44.134 1.180 41.809 -99.200 -91.000 PHE 59 1.000 42.433 8.571 38.147 -99.200 -91.000 TRP 74 1.040 44.189 -1.247 30.581 -99.200 -91.000 TRP6 74 1.020 45.061 0.400 29.129 -99.200 -91.000 TRP 90 1.040 48.281 3.225 39.325 -99.200 -91.000 TRP6 90 1.020 48.609 5.531 38.994 -99.200 -91.000 TYR 102 0.840 45.285 13.479 28.019 -99.200 -91.000 PHE 113 1.000 27.491 7.508 31.852 -99.200 -91.000 HIS 123 0.900 43.246 -8.582 17.158 -99.200 -91.000 PHE 125 1.000 43.234 -1.204 17.591 -99.200 -91.000 TYR 127 0.840 38.453 -3.646 20.442 -99.200 -91.000 TYR 156 0.840 26.753 2.077 10.514 -99.200 -91.000 HIS 186 0.900 13.912 5.249 24.893 -99.200 -91.000 TRP 200 1.040 33.014 -14.250 17.305 -99.200 -91.000 TRP6 200 1.020 32.021 -13.160 15.469 -99.200 -91.000 TYR 202 0.840 29.830 -12.623 22.090 -99.200 -91.000 HIS 206 0.900 17.142 1.860 27.703 -99.200 -91.000 TYR 210 0.840 22.377 -6.342 17.522 -99.200 -91.000 TYR 234 0.840 25.693 -15.227 20.542 -99.200 -91.000 HIS 249 0.900 33.003 -19.545 23.387 -99.200 -91.000 TYR 252 0.840 27.437 -16.437 33.071 -99.200 -91.000 HIS 258 0.900 11.404 -9.510 33.726 -99.200 -91.000 TYR 271 0.840 17.467 -14.326 30.482 -99.200 -91.000 TRP 282 1.040 21.429 -1.137 37.460 -99.200 -91.000 TRP6 282 1.020 19.890 -0.019 36.094 -99.200 -91.000 PHE 286 1.000 26.543 -10.063 35.469 -99.200 -91.000 PHE 288 1.000 32.935 -15.623 34.395 -99.200 -91.000 TYR 293 0.840 32.279 -20.106 43.212 -99.200 -91.000 TYR 295 0.840 34.207 -13.178 42.888 -99.200 -91.000 PHE 296 1.000 26.281 -11.654 40.788 -99.200 -91.000 HIS 302 0.900 16.124 0.018 40.473 -99.200 -91.000 HIS 303 0.900 14.526 1.936 43.846 -99.200 -91.000 TYR 318 0.840 24.179 1.373 47.915 -99.200 -91.000 TYR 319 0.840 23.720 -6.786 49.562 -99.200 -91.000 PHE 321 1.000 24.497 -10.206 46.280 -99.200 -91.000