============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 8 1.000 -5.018 63.770 7.763 -99.200 -91.000 PHE 23 1.000 10.621 62.234 -2.145 -99.200 -91.000 HIS 34 0.900 -0.301 57.563 24.127 -99.200 -91.000 HIS 39 0.900 6.869 61.176 12.240 -99.200 -91.000 PHE 43 1.000 10.659 59.169 10.673 -99.200 -91.000 HIS 48 0.900 8.008 65.092 15.074 -99.200 -91.000 PHE 64 1.000 2.235 75.367 12.073 -99.200 -91.000 PHE 65 1.000 8.128 73.631 7.117 -99.200 -91.000 PHE 83 1.000 -15.378 48.490 3.038 -99.200 -91.000 TYR 92 0.840 -10.605 61.791 0.430 -99.200 -91.000 HIS 94 0.900 -10.570 70.668 6.298 -99.200 -91.000 PHE 95 1.000 -3.325 64.457 1.420 -99.200 -91.000 TYR 96 0.840 -6.901 64.568 -2.183 -99.200 -91.000 PHE 106 1.000 5.923 63.806 -4.149 -99.200 -91.000 PHE 107 1.000 -2.351 64.454 -5.388 -99.200 -91.000 TYR 120 0.840 -17.339 56.959 1.676 -99.200 -91.000 PHE 128 1.000 -9.590 63.627 -11.071 -99.200 -91.000 TYR 135 0.840 -0.850 69.176 -8.004 -99.200 -91.000 TYR 148 0.840 5.233 47.040 -4.572 -99.200 -91.000 TYR 157 0.840 -8.116 51.117 -3.542 -99.200 -91.000 PHE 158 1.000 0.649 53.418 -1.533 -99.200 -91.000 PHE 159 1.000 -6.824 57.008 -4.207 -99.200 -91.000 PHE 175 1.000 4.771 55.296 -9.282 -99.200 -91.000 TYR 190 0.840 17.796 33.831 11.491 -99.200 -91.000 TRP 200 1.040 -3.163 42.851 31.178 -99.200 -91.000 TRP6 200 1.020 -3.618 44.895 32.142 -99.200 -91.000 TRP 207 1.040 15.760 48.189 25.771 -99.200 -91.000 TRP6 207 1.020 15.946 49.120 23.594 -99.200 -91.000 PHE 218 1.000 12.306 40.991 6.246 -99.200 -91.000 TYR 219 0.840 16.804 38.135 6.833 -99.200 -91.000 TRP 223 1.040 18.585 42.872 11.840 -99.200 -91.000 TRP6 223 1.020 19.049 40.739 10.903 -99.200 -91.000 HIS 252 0.900 -1.805 34.194 25.279 -99.200 -91.000 TYR 260 0.840 -4.220 31.267 21.574 -99.200 -91.000 PHE 265 1.000 2.575 25.368 10.480 -99.200 -91.000 PHE 282 1.000 3.653 35.943 1.406 -99.200 -91.000 HIS 291 0.900 6.035 32.251 16.994 -99.200 -91.000 TYR 293 0.840 7.643 27.333 13.442 -99.200 -91.000 HIS 294 0.900 7.914 29.695 20.423 -99.200 -91.000 PHE 309 1.000 6.601 50.420 10.949 -99.200 -91.000 TRP 312 1.040 16.837 50.721 11.807 -99.200 -91.000 TRP6 312 1.020 15.742 52.758 11.241 -99.200 -91.000 PHE 313 1.000 9.463 53.499 13.299 -99.200 -91.000 PHE 315 1.000 6.833 50.180 16.016 -99.200 -91.000 HIS 316 0.900 3.178 53.971 24.643 -99.200 -91.000 TRP 320 1.040 -4.235 50.239 23.985 -99.200 -91.000 TRP6 320 1.020 -6.210 49.105 23.394 -99.200 -91.000 HIS 321 0.900 -1.460 53.584 23.806 -99.200 -91.000 PHE 323 1.000 0.627 43.592 19.319 -99.200 -91.000 TYR 337 0.840 9.900 48.873 -5.928 -99.200 -91.000 TYR 343 0.840 15.431 61.370 -4.484 -99.200 -91.000