============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 12 1.000 24.448 36.856 13.772 -99.200 -91.000 TYR 13 0.840 30.968 31.466 13.390 -99.200 -91.000 TYR 14 0.840 30.323 39.574 16.266 -99.200 -91.000 PHE 22 1.000 37.057 43.461 9.258 -99.200 -91.000 TYR 36 0.840 24.488 45.682 -9.414 -99.200 -91.000 TYR 41 0.840 38.133 38.973 -11.316 -99.200 -91.000 TRP 57 1.040 45.664 43.657 8.590 -99.200 -91.000 TRP6 57 1.020 46.192 41.790 9.953 -99.200 -91.000 HIS 60 0.900 45.876 37.804 1.840 -99.200 -91.000 TRP 61 1.040 45.437 35.706 9.433 -99.200 -91.000 TRP6 61 1.020 43.653 34.837 10.697 -99.200 -91.000 PHE 62 1.000 37.264 34.502 8.120 -99.200 -91.000 HIS 68 0.900 39.656 32.469 -2.294 -99.200 -91.000 TRP 70 1.040 43.538 35.197 -2.033 -99.200 -91.000 TRP6 70 1.020 42.036 36.985 -2.409 -99.200 -91.000 PHE 91 1.000 35.514 33.942 1.928 -99.200 -91.000 TYR 102 0.840 35.819 28.444 -2.522 -99.200 -91.000 HIS 112 0.900 40.929 22.134 10.371 -99.200 -91.000 PHE 114 1.000 35.375 31.317 14.015 -99.200 -91.000 PHE 117 1.000 30.867 25.775 10.217 -99.200 -91.000 TYR 118 0.840 25.308 23.241 14.020 -99.200 -91.000 TYR 128 0.840 25.322 32.589 -0.858 -99.200 -91.000 PHE 140 1.000 21.007 45.903 8.418 -99.200 -91.000 TYR 142 0.840 22.569 41.491 13.527 -99.200 -91.000 TYR 147 0.840 23.864 41.513 18.863 -99.200 -91.000 PHE 153 1.000 36.654 40.323 19.304 -99.200 -91.000