============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TYR 8 0.840 26.010 1.116 -26.478 -99.200 -91.000 TRP 10 1.040 21.282 -7.447 -30.179 -99.200 -91.000 TRP6 10 1.020 22.759 -9.207 -29.608 -99.200 -91.000 PHE 14 1.000 16.118 -5.185 -30.994 -99.200 -91.000 TRP 19 1.040 17.077 1.037 -21.195 -99.200 -91.000 TRP6 19 1.020 18.858 -0.367 -20.526 -99.200 -91.000 PHE 27 1.000 24.851 -2.347 -21.901 -99.200 -91.000 HIS 28 0.900 26.879 0.413 -14.895 -99.200 -91.000 PHE 41 1.000 25.880 -12.583 -21.177 -99.200 -91.000 TYR 64 0.840 17.414 -18.253 -28.488 -99.200 -91.000 PHE 74 1.000 10.349 -14.699 -23.164 -99.200 -91.000 TYR 87 0.840 10.666 -5.005 -21.450 -99.200 -91.000 PHE 90 1.000 18.522 -10.010 -29.591 -99.200 -91.000 PHE 98 1.000 16.289 -8.751 -12.251 -99.200 -91.000 PHE 125 1.000 2.791 -22.762 -17.672 -99.200 -91.000 HIS 126 0.900 1.945 -31.441 -18.494 -99.200 -91.000 PHE 132 1.000 5.190 -24.150 -31.077 -99.200 -91.000 TRP 138 1.040 11.721 -32.458 -27.794 -99.200 -91.000 TRP6 138 1.020 12.362 -33.332 -25.682 -99.200 -91.000 PHE 140 1.000 11.959 -43.288 -27.411 -99.200 -91.000 TYR 146 0.840 20.370 -34.246 -27.787 -99.200 -91.000 PHE 155 1.000 35.213 -36.591 -25.633 -99.200 -91.000 HIS 165 0.900 37.060 -45.752 -25.985 -99.200 -91.000 TYR 170 0.840 26.912 -48.148 -19.143 -99.200 -91.000 PHE 192 1.000 4.049 -26.235 -25.214 -99.200 -91.000 HIS 194 0.900 10.016 -26.016 -19.026 -99.200 -91.000 PHE 220 1.000 7.232 -23.015 -20.723 -99.200 -91.000 TYR 222 0.840 16.726 -28.051 -23.841 -99.200 -91.000 TYR 225 0.840 1.020 -29.903 -28.411 -99.200 -91.000 TYR 227 0.840 5.116 -40.344 -25.920 -99.200 -91.000 PHE 230 1.000 11.320 -36.127 -20.951 -99.200 -91.000 HIS 235 0.900 9.538 -31.115 -10.569 -99.200 -91.000 PHE 236 1.000 7.473 -37.299 -9.461 -99.200 -91.000 TRP 239 1.040 11.851 -33.978 -6.410 -99.200 -91.000 TRP6 239 1.020 10.706 -34.458 -4.393 -99.200 -91.000 TYR 241 0.840 20.623 -35.992 -11.424 -99.200 -91.000 TYR 243 0.840 21.522 -29.511 -12.638 -99.200 -91.000 TYR 245 0.840 30.487 -29.731 -5.305 -99.200 -91.000 TYR 248 0.840 35.388 -31.567 -13.317 -99.200 -91.000 PHE 250 1.000 32.785 -26.516 -11.964 -99.200 -91.000 PHE 251 1.000 27.377 -33.886 -11.810 -99.200 -91.000 TYR 258 0.840 12.763 -40.853 -8.637 -99.200 -91.000 HIS 266 0.900 1.677 -33.056 -1.227 -99.200 -91.000 PHE 267 1.000 4.350 -33.054 -9.347 -99.200 -91.000 TYR 271 0.840 -0.561 -33.454 -14.058 -99.200 -91.000 PHE 275 1.000 -4.060 -33.272 -18.095 -99.200 -91.000 PHE 279 1.000 -8.101 -37.501 -9.610 -99.200 -91.000 PHE 301 1.000 6.491 -42.086 -21.160 -99.200 -91.000 HIS 306 0.900 17.609 -40.970 -14.453 -99.200 -91.000 PHE 307 1.000 19.318 -44.219 -23.657 -99.200 -91.000 TRP 309 1.040 17.249 -34.011 -19.466 -99.200 -91.000 TRP6 309 1.020 17.337 -32.182 -20.970 -99.200 -91.000 TRP 312 1.040 21.537 -31.303 -23.468 -99.200 -91.000 TRP6 312 1.020 22.614 -30.582 -21.489 -99.200 -91.000 PHE 324 1.000 27.102 -29.691 -15.450 -99.200 -91.000 TYR 326 0.840 28.278 -29.630 -20.371 -99.200 -91.000 TYR 329 0.840 23.709 -34.013 -15.607 -99.200 -91.000 PHE 334 1.000 23.640 -42.761 -20.457 -99.200 -91.000 TYR 337 0.840 18.229 -46.526 -18.892 -99.200 -91.000 PHE 338 1.000 22.340 -49.234 -17.840 -99.200 -91.000 HIS 339 0.900 19.292 -47.319 -7.789 -99.200 -91.000