============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. HIS 2 0.900 43.230 8.116 -9.037 -99.200 -91.000 TYR 14 0.840 41.492 14.703 8.744 -99.200 -91.000 TYR 28 0.840 45.529 6.562 8.341 -99.200 -91.000 TYR 33 0.840 53.056 -9.641 6.517 -99.200 -91.000 TRP 43 1.040 59.316 -8.527 -0.591 -99.200 -91.000 TRP6 43 1.020 58.411 -7.023 -2.177 -99.200 -91.000 TYR 46 0.840 55.900 0.578 -0.413 -99.200 -91.000 TYR 54 0.840 50.794 6.789 -0.497 -99.200 -91.000 HIS 80 0.900 46.087 -4.962 -10.507 -99.200 -91.000 PHE 85 1.000 45.331 7.683 3.318 -99.200 -91.000 TYR 95 0.840 36.736 6.173 0.368 -99.200 -91.000 TYR 117 0.840 37.841 6.894 -5.236 -99.200 -91.000 PHE 131 1.000 41.301 -15.754 -12.400 -99.200 -91.000 TYR 137 0.840 55.438 -10.584 -3.756 -99.200 -91.000 PHE 141 1.000 44.387 1.453 5.379 -99.200 -91.000