============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 5 1.000 15.329 37.216 9.148 -99.200 -91.000 PHE 8 1.000 19.725 45.359 10.219 -99.200 -91.000 TYR 10 0.840 25.767 45.649 0.677 -99.200 -91.000 PHE 11 1.000 24.694 46.269 9.928 -99.200 -91.000 TYR 12 0.840 29.965 42.948 10.216 -99.200 -91.000 PHE 33 1.000 43.590 43.497 6.547 -99.200 -91.000 PHE 37 1.000 50.392 35.183 5.704 -99.200 -91.000 TYR 48 0.840 24.445 41.189 -2.350 -99.200 -91.000 PHE 53 1.000 33.724 40.363 -10.884 -99.200 -91.000 TYR 73 0.840 40.854 43.582 -0.864 -99.200 -91.000 TYR 81 0.840 31.323 47.249 10.710 -99.200 -91.000 TYR 95 0.840 7.842 50.470 11.912 -99.200 -91.000 TYR 108 0.840 13.692 35.532 13.065 -99.200 -91.000 TYR 118 0.840 0.679 35.972 5.377 -99.200 -91.000 TYR 122 0.840 4.694 43.435 -0.577 -99.200 -91.000 PHE 150 1.000 8.263 27.159 5.948 -99.200 -91.000 PHE 210 1.000 11.688 11.808 16.634 -99.200 -91.000 TYR 224 0.840 14.392 23.611 12.808 -99.200 -91.000 TYR 233 0.840 9.571 26.537 13.889 -99.200 -91.000 TYR 264 0.840 49.804 36.767 20.937 -99.200 -91.000 PHE 266 1.000 48.167 36.846 31.497 -99.200 -91.000 TYR 273 0.840 36.762 40.021 34.096 -99.200 -91.000 TYR 274 0.840 35.354 48.437 27.088 -99.200 -91.000 HIS 285 0.900 33.949 26.858 29.852 -99.200 -91.000 PHE 302 1.000 36.480 29.587 39.818 -99.200 -91.000 HIS 304 0.900 34.109 32.632 44.113 -99.200 -91.000 TYR 312 0.840 44.760 39.315 33.957 -99.200 -91.000 PHE 337 1.000 36.015 35.909 31.616 -99.200 -91.000 PHE 340 1.000 27.367 36.933 31.538 -99.200 -91.000