============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 16 1.000 27.419 54.793 15.607 -99.200 -91.000 PHE 20 1.000 25.109 53.357 20.397 -99.200 -91.000 TYR 36 0.840 12.271 53.675 12.469 -99.200 -91.000 PHE 50 1.000 24.312 42.478 17.440 -99.200 -91.000 PHE 57 1.000 16.699 43.329 15.749 -99.200 -91.000 PHE 58 1.000 9.252 49.250 17.136 -99.200 -91.000 TYR 70 0.840 3.580 51.491 17.192 -99.200 -91.000 HIS 80 0.900 18.850 60.386 12.086 -99.200 -91.000 HIS 86 0.900 27.567 53.914 -0.771 -99.200 -91.000 TYR 92 0.840 25.556 60.077 -11.571 -99.200 -91.000 TYR 135 0.840 27.149 61.957 3.173 -99.200 -91.000 PHE 146 1.000 19.069 65.474 14.414 -99.200 -91.000 PHE 152 1.000 9.096 71.357 21.954 -99.200 -91.000 PHE 160 1.000 16.207 67.172 19.682 -99.200 -91.000 TYR 165 0.840 32.266 59.306 13.711 -99.200 -91.000 PHE 178 1.000 36.662 48.695 -4.782 -99.200 -91.000 PHE 179 1.000 41.912 50.621 -2.202 -99.200 -91.000 PHE 200 1.000 40.504 65.277 9.772 -99.200 -91.000 TRP 201 1.040 41.820 57.375 7.107 -99.200 -91.000 TRP6 201 1.020 40.306 55.972 5.953 -99.200 -91.000 PHE 210 1.000 33.827 62.319 20.266 -99.200 -91.000 HIS 219 0.900 26.460 71.250 29.348 -99.200 -91.000 PHE 224 1.000 29.544 66.649 22.402 -99.200 -91.000 HIS 258 0.900 44.319 67.659 0.834 -99.200 -91.000 HIS 268 0.900 32.935 82.572 14.885 -99.200 -91.000 PHE 273 1.000 35.697 70.782 26.060 -99.200 -91.000 PHE 276 1.000 35.487 66.634 24.361 -99.200 -91.000 PHE 277 1.000 39.654 70.613 18.427 -99.200 -91.000 PHE 285 1.000 20.395 76.370 21.485 -99.200 -91.000 TYR 291 0.840 26.880 74.680 24.272 -99.200 -91.000 HIS 297 0.900 31.183 68.571 37.191 -99.200 -91.000 PHE 307 1.000 41.899 74.445 15.371 -99.200 -91.000 TYR 309 0.840 40.930 68.107 13.789 -99.200 -91.000 HIS 312 0.900 45.758 71.360 4.689 -99.200 -91.000 TRP 317 1.040 49.949 63.743 9.169 -99.200 -91.000 TRP6 317 1.020 48.955 63.772 7.024 -99.200 -91.000