============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 6 0.840 3.592 -5.387 45.925 -99.200 -91.000 TYR 11 0.840 14.231 -6.804 34.212 -99.200 -91.000 PHE 30 1.000 -6.721 3.937 40.321 -99.200 -91.000 HIS 43 0.900 23.842 21.126 41.732 -99.200 -91.000 TRP 56 1.040 18.357 -7.289 38.159 -99.200 -91.000 TRP6 56 1.020 17.473 -7.727 40.363 -99.200 -91.000 HIS 63 0.900 19.166 -2.785 49.095 -99.200 -91.000 PHE 76 1.000 0.070 7.700 50.753 -99.200 -91.000 PHE 92 1.000 2.880 10.371 54.837 -99.200 -91.000 TYR 130 0.840 -7.029 14.751 28.805 -99.200 -91.000 HIS 132 0.900 -6.082 15.160 39.810 -99.200 -91.000 TYR 144 0.840 -8.152 20.347 28.424 -99.200 -91.000 PHE 150 1.000 10.980 20.797 19.699 -99.200 -91.000 HIS 159 0.900 23.821 9.499 23.193 -99.200 -91.000 PHE 169 1.000 22.804 16.994 15.056 -99.200 -91.000 PHE 179 1.000 0.785 14.399 18.847 -99.200 -91.000 TYR 190 0.840 13.114 7.016 12.852 -99.200 -91.000 HIS 191 0.900 8.971 5.204 8.794 -99.200 -91.000 TYR 201 0.840 26.532 8.322 6.877 -99.200 -91.000 HIS 237 0.900 5.918 15.759 4.887 -99.200 -91.000 PHE 252 1.000 30.927 20.245 23.182 -99.200 -91.000 PHE 253 1.000 33.626 24.467 30.375 -99.200 -91.000 TYR 258 0.840 32.144 25.498 26.125 -99.200 -91.000 PHE 262 1.000 33.155 14.806 23.064 -99.200 -91.000 TRP 272 1.040 40.746 21.788 22.813 -99.200 -91.000 TRP6 272 1.020 41.398 21.048 24.928 -99.200 -91.000 TYR 282 0.840 26.447 26.576 19.872 -99.200 -91.000 HIS 283 0.900 23.976 34.184 17.250 -99.200 -91.000 TYR 289 0.840 22.382 23.554 8.145 -99.200 -91.000 PHE 298 1.000 27.449 28.957 24.965 -99.200 -91.000 TRP 303 1.040 26.102 29.782 36.498 -99.200 -91.000 TRP6 303 1.020 23.837 29.073 36.313 -99.200 -91.000 TRP 306 1.040 24.715 28.127 29.836 -99.200 -91.000 TRP6 306 1.020 22.743 26.977 28.990 -99.200 -91.000 HIS 308 0.900 28.734 36.644 24.457 -99.200 -91.000 PHE 309 1.000 23.817 31.233 21.666 -99.200 -91.000 PHE 310 1.000 17.816 34.680 26.700 -99.200 -91.000 PHE 363 1.000 4.306 26.863 31.718 -99.200 -91.000 TRP 367 1.040 12.908 30.980 31.551 -99.200 -91.000 TRP6 367 1.020 14.568 29.431 32.158 -99.200 -91.000 HIS 373 0.900 13.253 11.044 25.702 -99.200 -91.000 PHE 382 1.000 2.205 11.553 35.486 -99.200 -91.000 PHE 425 1.000 0.822 20.545 16.226 -99.200 -91.000 PHE 430 1.000 8.567 25.735 19.250 -99.200 -91.000 HIS 431 0.900 10.021 30.093 24.201 -99.200 -91.000 HIS 432 0.900 6.504 32.474 25.156 -99.200 -91.000