============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. HIS 2 0.900 1.103 27.082 18.701 -99.200 -91.000 PHE 15 1.000 7.343 6.973 0.923 -99.200 -91.000 TYR 19 0.840 -7.732 9.026 -9.608 -99.200 -91.000 PHE 22 1.000 -9.433 -4.015 -11.504 -99.200 -91.000 TYR 32 0.840 -3.991 9.614 -6.620 -99.200 -91.000 HIS 45 0.900 -0.697 4.452 -2.815 -99.200 -91.000 PHE 52 1.000 12.003 4.615 3.132 -99.200 -91.000 TYR 56 0.840 10.811 3.313 7.502 -99.200 -91.000 TRP 57 1.040 7.323 0.356 4.448 -99.200 -91.000 TRP6 57 1.020 6.679 2.630 4.342 -99.200 -91.000 PHE 61 1.000 2.461 1.829 8.084 -99.200 -91.000 TRP 70 1.040 -3.732 16.751 11.672 -99.200 -91.000 TRP6 70 1.020 -6.029 16.206 11.828 -99.200 -91.000 TYR 72 0.840 1.569 10.696 11.404 -99.200 -91.000 TRP 77 1.040 -6.183 10.567 7.458 -99.200 -91.000 TRP6 77 1.020 -5.687 10.744 5.150 -99.200 -91.000 TRP 82 1.040 2.370 1.991 2.980 -99.200 -91.000 TRP6 82 1.020 2.107 -0.253 3.674 -99.200 -91.000 PHE 96 1.000 -7.082 11.900 15.794 -99.200 -91.000 PHE 103 1.000 -16.543 -10.351 20.156 -99.200 -91.000 TRP 104 1.040 -11.341 -15.416 20.914 -99.200 -91.000 TRP6 104 1.020 -11.213 -16.120 23.173 -99.200 -91.000 PHE 108 1.000 -21.811 -17.576 15.886 -99.200 -91.000 PHE 112 1.000 -24.615 -20.869 18.437 -99.200 -91.000 TRP 118 1.040 -9.673 -13.516 16.556 -99.200 -91.000 TRP6 118 1.020 -8.912 -12.160 18.344 -99.200 -91.000 HIS 121 0.900 -17.531 -5.873 16.474 -99.200 -91.000 HIS 126 0.900 -17.243 9.730 12.342 -99.200 -91.000 PHE 130 1.000 -15.039 -0.977 5.064 -99.200 -91.000 TYR 168 0.840 -15.059 11.430 7.731 -99.200 -91.000 PHE 179 1.000 -27.964 17.127 -6.456 -99.200 -91.000 PHE 198 1.000 -30.152 23.077 -0.303 -99.200 -91.000 PHE 206 1.000 -31.625 6.272 -9.538 -99.200 -91.000 TYR 222 0.840 -14.694 17.718 -7.908 -99.200 -91.000 PHE 246 1.000 -5.757 -11.368 14.590 -99.200 -91.000 TRP 248 1.040 3.117 -5.735 12.260 -99.200 -91.000 TRP6 248 1.020 1.903 -4.591 10.578 -99.200 -91.000 TRP 253 1.040 -9.931 -19.851 5.582 -99.200 -91.000 TRP6 253 1.020 -10.509 -19.906 3.295 -99.200 -91.000 TYR 265 0.840 -9.145 -3.978 -5.959 -99.200 -91.000 PHE 267 1.000 -11.540 -5.505 4.824 -99.200 -91.000 TYR 268 0.840 -5.513 -8.870 -3.806 -99.200 -91.000 PHE 271 1.000 -5.980 -8.815 4.914 -99.200 -91.000 TYR 296 0.840 -23.104 -19.454 -4.992 -99.200 -91.000 HIS 298 0.900 -19.917 -14.753 -14.037 -99.200 -91.000 TYR 299 0.840 -16.178 -20.064 -5.731 -99.200 -91.000 TRP 303 1.040 -13.139 -17.205 -10.474 -99.200 -91.000 TRP6 303 1.020 -14.850 -15.864 -9.537 -99.200 -91.000 PHE 306 1.000 -15.463 -11.156 -14.653 -99.200 -91.000 TYR 316 0.840 -6.486 -8.274 -9.915 -99.200 -91.000 PHE 343 1.000 -28.152 -4.768 18.927 -99.200 -91.000 HIS 347 0.900 -24.579 -6.579 4.060 -99.200 -91.000 PHE 356 1.000 -23.691 -24.633 9.880 -99.200 -91.000 HIS 377 0.900 -23.195 -0.266 16.850 -99.200 -91.000 PHE 381 1.000 -28.