============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 7 0.900 53.368 37.324 7.329 -99.200 -91.000 PHE 22 1.000 46.385 30.402 9.461 -99.200 -91.000 TRP 38 1.040 50.381 30.280 -3.597 -99.200 -91.000 TRP6 38 1.020 51.197 31.491 -5.459 -99.200 -91.000 PHE 45 1.000 40.702 29.643 -4.060 -99.200 -91.000 HIS 49 0.900 55.263 33.480 1.129 -99.200 -91.000 PHE 59 1.000 49.997 26.382 -12.761 -99.200 -91.000 TYR 63 0.840 43.764 20.228 0.178 -99.200 -91.000 PHE 86 1.000 39.804 31.405 18.752 -99.200 -91.000 PHE 91 1.000 39.162 33.898 10.377 -99.200 -91.000 PHE 98 1.000 50.711 29.276 -9.607 -99.200 -91.000 TRP 120 1.040 40.799 42.756 4.513 -99.200 -91.000 TRP6 120 1.020 41.213 42.177 6.767 -99.200 -91.000 PHE 124 1.000 52.026 41.783 -2.581 -99.200 -91.000 PHE 143 1.000 47.359 47.673 -5.519 -99.200 -91.000 HIS 149 0.900 53.569 49.538 -8.079 -99.200 -91.000 HIS 162 0.900 45.656 44.691 3.306 -99.200 -91.000 HIS 164 0.900 58.015 46.554 2.939 -99.200 -91.000 HIS 165 0.900 58.290 47.681 7.543 -99.200 -91.000 TRP 176 1.040 47.847 55.194 0.603 -99.200 -91.000 TRP6 176 1.020 49.670 54.487 1.933 -99.200 -91.000 PHE 182 1.000 40.892 49.055 8.307 -99.200 -91.000 TRP 186 1.040 52.353 44.240 3.565 -99.200 -91.000 TRP6 186 1.020 54.238 43.418 2.399 -99.200 -91.000