============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 8.914 6.282 18.635 -99.200 -91.000 TRP6 14 1.020 7.534 8.113 19.395 -99.200 -91.000 PHE 19 1.000 12.769 -5.534 3.767 -99.200 -91.000 TRP 37 1.040 23.464 10.232 14.474 -99.200 -91.000 TRP6 37 1.020 25.231 8.673 14.277 -99.200 -91.000 HIS 43 0.900 19.918 -9.047 19.693 -99.200 -91.000 TYR 47 0.840 24.566 -14.509 19.112 -99.200 -91.000 TRP 49 1.040 23.535 -18.347 16.252 -99.200 -91.000 TRP6 49 1.020 21.356 -17.777 16.808 -99.200 -91.000 PHE 53 1.000 22.921 -9.232 8.685 -99.200 -91.000 HIS 65 0.900 -0.766 0.639 10.503 -99.200 -91.000 TYR 70 0.840 7.333 1.503 -1.956 -99.200 -91.000 TYR 84 0.840 29.778 4.977 14.098 -99.200 -91.000 HIS 86 0.900 29.945 -0.225 24.962 -99.200 -91.000 TYR 89 0.840 27.318 -7.332 21.409 -99.200 -91.000 TRP 91 1.040 30.716 -11.395 20.465 -99.200 -91.000 TRP6 91 1.020 31.491 -13.675 20.399 -99.200 -91.000 PHE 110 1.000 12.360 14.831 11.823 -99.200 -91.000 TYR 113 0.840 1.298 9.320 7.726 -99.200 -91.000 HIS 115 0.900 8.246 14.571 15.709 -99.200 -91.000 TYR 132 0.840 6.393 4.229 38.335 -99.200 -91.000 TRP 139 1.040 5.554 -3.826 11.321 -99.200 -91.000 TRP6 139 1.020 6.926 -1.902 11.268 -99.200 -91.000 TRP 146 1.040 4.009 -19.864 12.595 -99.200 -91.000 TRP6 146 1.020 5.857 -18.493 13.111 -99.200 -91.000 PHE 178 1.000 14.414 -1.774 31.357 -99.200 -91.000 TYR 182 0.840 1.028 -7.392 32.693 -99.200 -91.000 PHE 201 1.000 9.905 -0.576 28.537 -99.200 -91.000 PHE 207 1.000 7.528 14.366 36.376 -99.200 -91.000 TRP 211 1.040 4.791 9.481 23.622 -99.200 -91.000 TRP6 211 1.020 3.847 7.538 24.595 -99.200 -91.000 TYR 212 0.840 11.883 11.845 27.865 -99.200 -91.000 TRP 219 1.040 19.242 -10.832 27.384 -99.200 -91.000 TRP6 219 1.020 18.627 -12.401 29.057 -99.200 -91.000 TYR 229 0.840 9.459 -11.841 34.971 -99.200 -91.000 PHE 231 1.000 16.084 -10.508 31.605 -99.200 -91.000 TYR 232 0.840 12.263 -4.956 27.446 -99.200 -91.000 HIS 234 0.900 19.408 1.555 32.644 -99.200 -91.000 PHE 236 1.000 21.022 8.134 32.600 -99.200 -91.000 TRP 241 1.040 29.476 3.748 22.762 -99.200 -91.000 TRP6 241 1.020 27.724 3.206 21.277 -99.200 -91.000 PHE 249 1.000 32.814 8.484 14.912 -99.200 -91.000