============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 67 1.000 6.475 68.762 -14.178 -99.200 -91.000 HIS 73 0.900 9.176 72.090 -17.522 -99.200 -91.000 TYR 99 0.840 6.264 91.566 -2.107 -99.200 -91.000 HIS 128 0.900 13.282 95.460 6.415 -99.200 -91.000 HIS 132 0.900 8.341 94.612 -1.734 -99.200 -91.000 TYR 134 0.840 5.796 91.981 3.957 -99.200 -91.000 HIS 137 0.900 11.859 83.338 2.537 -99.200 -91.000 HIS 146 0.900 -4.832 87.307 3.698 -99.200 -91.000 TYR 150 0.840 4.409 82.295 11.540 -99.200 -91.000 TYR 154 0.840 8.332 64.767 8.777 -99.200 -91.000 HIS 162 0.900 11.661 74.003 17.479 -99.200 -91.000 HIS 166 0.900 15.312 81.664 14.428 -99.200 -91.000 PHE 172 1.000 9.930 79.910 26.236 -99.200 -91.000 PHE 191 1.000 4.075 68.419 9.840 -99.200 -91.000 TYR 197 0.840 2.908 60.293 12.215 -99.200 -91.000 HIS 210 0.900 14.828 67.285 37.311 -99.200 -91.000 PHE 217 1.000 3.467 68.179 36.211 -99.200 -91.000 TYR 239 0.840 -0.379 60.825 25.910 -99.200 -91.000 PHE 248 1.000 12.881 67.557 23.015 -99.200 -91.000 TYR 252 0.840 16.486 58.081 18.498 -99.200 -91.000 TYR 256 0.840 5.196 60.699 24.327 -99.200 -91.000 TYR 261 0.840 14.232 76.241 26.168 -99.200 -91.000 HIS 262 0.900 16.737 77.787 17.728 -99.200 -91.000 HIS 266 0.900 16.399 74.417 16.140 -99.200 -91.000 TYR 274 0.840 18.855 70.848 11.299 -99.200 -91.000 PHE 285 1.000 1.711 77.830 0.941 -99.200 -91.000 HIS 292 0.900 21.392 77.462 2.848 -99.200 -91.000 PHE 296 1.000 23.355 89.172 -0.295 -99.200 -91.000 TRP 300 1.040 25.642 85.271 -8.200 -99.200 -91.000 TRP6 300 1.020 25.417 87.011 -9.812 -99.200 -91.000