============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 15 1.040 33.482 -66.222 34.165 -99.200 -91.000 TRP6 15 1.020 35.305 -65.796 35.614 -99.200 -91.000 TYR 20 0.840 16.399 -71.860 26.083 -99.200 -91.000 TYR 47 0.840 10.252 -72.151 37.596 -99.200 -91.000 TRP 71 1.040 2.820 -50.212 55.651 -99.200 -91.000 TRP6 71 1.020 1.780 -48.092 55.752 -99.200 -91.000 PHE 85 1.000 6.352 -44.302 47.499 -99.200 -91.000 TYR 116 0.840 -4.139 -63.655 44.992 -99.200 -91.000 PHE 124 1.000 6.407 -67.080 46.238 -99.200 -91.000 TYR 131 0.840 8.131 -75.026 41.172 -99.200 -91.000 PHE 142 1.000 16.247 -69.153 45.620 -99.200 -91.000 HIS 146 0.900 12.380 -59.754 50.797 -99.200 -91.000 PHE 154 1.000 23.545 -71.727 50.413 -99.200 -91.000 HIS 169 0.900 11.486 -75.845 28.338 -99.200 -91.000 TYR 175 0.840 13.184 -64.480 29.443 -99.200 -91.000 HIS 178 0.900 11.926 -61.506 34.195 -99.200 -91.000 PHE 183 1.000 4.988 -51.476 36.955 -99.200 -91.000 PHE 185 1.000 0.780 -49.610 41.316 -99.200 -91.000 TRP 198 1.040 17.284 -48.610 27.433 -99.200 -91.000 TRP6 198 1.020 16.406 -49.502 29.443 -99.200 -91.000 TYR 217 0.840 27.206 -52.779 42.401 -99.200 -91.000 PHE 244 1.000 23.854 -53.185 34.134 -99.200 -91.000 TRP 253 1.040 34.898 -65.616 23.689 -99.200 -91.000 TRP6 253 1.020 34.181 -67.600 24.768 -99.200 -91.000 PHE 255 1.000 24.576 -64.480 20.818 -99.200 -91.000 PHE 257 1.000 36.053 -65.623 18.920 -99.200 -91.000 PHE 258 1.000 32.378 -70.977 21.517 -99.200 -91.000 PHE 270 1.000 22.981 -91.304 16.536 -99.200 -91.000 TRP 276 1.040 17.123-110.217 22.277 -99.200 -91.000 TRP6 276 1.020 17.309-112.394 21.377 -99.200 -91.000 PHE 277 1.000 12.864-113.033 25.017 -99.200 -91.000 TYR 307 0.840 24.686 -96.647 18.829 -99.200 -91.000 PHE 329 1.000 25.714 -84.973 19.804 -99.200 -91.000