============================================================================= 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. TRP 15 1.040 -23.606 10.878 68.732 -99.200 -91.000 TRP6 15 1.020 -25.339 9.603 67.713 -99.200 -91.000 HIS 22 0.900 -14.996 4.835 72.213 -99.200 -91.000 TYR 28 0.840 -9.215 1.521 62.748 -99.200 -91.000 TYR 37 0.840 -19.157 27.231 63.522 -99.200 -91.000 PHE 66 1.000 -25.278 6.455 84.922 -99.200 -91.000 TRP 69 1.040 -21.781 10.091 80.608 -99.200 -91.000 TRP6 69 1.020 -20.504 12.028 80.104 -99.200 -91.000 PHE 75 1.000 -15.744 10.375 77.755 -99.200 -91.000 TYR 78 0.840 -14.614 16.442 81.954 -99.200 -91.000 TYR 79 0.840 -23.034 11.205 86.196 -99.200 -91.000 HIS 80 0.900 -20.656 17.784 88.263 -99.200 -91.000 PHE 110 1.000 -43.225 17.902 92.369 -99.200 -91.000 PHE 123 1.000 -41.782 22.938 92.124 -99.200 -91.000 TRP 126 1.040 -44.891 21.419 87.991 -99.200 -91.000 TRP6 126 1.020 -42.580 21.340 87.497 -99.200 -91.000 TYR 129 0.840 -43.017 8.209 88.347 -99.200 -91.000 PHE 130 1.000 -34.814 13.525 93.674 -99.200 -91.000 TRP 137 1.040 -25.136 18.533 86.876 -99.200 -91.000 TRP6 137 1.020 -23.203 19.727 86.190 -99.200 -91.000 HIS 139 0.900 -18.887 22.156 81.609 -99.200 -91.000 PHE 157 1.000 -10.132 16.224 66.729 -99.200 -91.000 PHE 171 1.000 -21.760 11.787 46.785 -99.200 -91.000 TRP 187 1.040 -9.393 17.553 53.584 -99.200 -91.000 TRP6 187 1.020 -7.504 17.445 55.018 -99.200 -91.000 PHE 193 1.000 -15.933 6.225 60.514 -99.200 -91.000 PHE 203 1.000 -21.997 18.032 54.394 -99.200 -91.000 PHE 206 1.000 -28.433 11.380 55.873 -99.200 -91.000 TRP 215 1.040 -36.266 20.878 70.941 -99.200 -91.000 TRP6 215 1.020 -35.504 19.362 69.288 -99.200 -91.000 HIS 219 0.900 -25.596 29.550 79.893 -99.200 -91.000 TYR 230 0.840 -30.344 29.570 93.595 -99.200 -91.000 PHE 237 1.000 -37.563 16.357 81.317 -99.200 -91.000 PHE 243 1.000 -33.765 20.307 79.823 -99.200 -91.000 PHE 244 1.000 -34.872 24.513 87.497 -99.200 -91.000 PHE 245 1.000 -29.123 20.680 83.158 -99.200 -91.000 HIS 260 0.900 -39.311 24.196 71.758 -99.200 -91.000 TYR 263 0.840 -39.035 27.330 67.733 -99.200 -91.000 PHE 276 1.000 -31.720 29.798 61.733 -99.200 -91.000 PHE 304 1.000 -34.026 34.612 79.374 -99.200 -91.000 PHE 306 1.000 -24.888 31.495 75.163 -99.200 -91.000 TRP 311 1.040 -30.288 24.482 64.445 -99.200 -91.000 TRP6 311 1.020 -32.193 24.199 63.074 -99.200 -91.000 PHE 320 1.000 -29.164 6.930 69.419 -99.200 -91.000 HIS 325 0.900 -25.735 5.243 51.032 -99.200 -91.000 TYR 328 0.840 -23.840 6.919 47.693 -99.200 -91.000 HIS 329 0.900 -16.971 -1.074 50.194 -99.200 -91.000 PHE 342 1.000 -22.660 15.728 75.875 -99.200 -91.000 TYR 344 0.840 -27.179 7.175 74.077 -99.200 -91.000 HIS 364 0.900 -27.843 -3.654 60.472 -99.200 -91.000 TRP 369 1.040 -30.054 3.960 53.912 -99.200 -91.000 TRP6 369 1.020 -29.201 6.167 53.999 -99.200 -91.000 TRP 379 1.040 -41.368 16.012 56.122 -99.200 -91.000 TRP6 379 1.020 -39.126 15.336 56.515 -99.200 -91.000 PHE 386 1.000 -46.326 14.883 75.419 -99.200 -91.000 PHE 394 1.000 -35.767 28.330 64.616 -99.200 -91.000 HIS 395 0.900 -38.583 29.798 56.804 -99.200 -91.000 TRP 400 1.040 -35.460 35.504 65.931 -99.200 -91.000 TRP6 400 1.020 -34.603 33.322 66.307 -99.200 -91.000 TYR 405 0.840 -21.038 36.077 69.558 -99.200 -91.000