============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. PHE 19 1.000 6.389 23.821 39.283 -99.200 -91.000 PHE 24 1.000 1.136 21.356 36.641 -99.200 -91.000 TYR 31 0.840 -4.557 16.217 28.604 -99.200 -91.000 PHE 42 1.000 2.995 17.657 34.036 -99.200 -91.000 TRP 46 1.040 3.681 27.479 34.497 -99.200 -91.000 TRP6 46 1.020 3.279 27.296 36.818 -99.200 -91.000 PHE 53 1.000 -3.326 35.804 39.009 -99.200 -91.000 HIS 72 0.900 -11.463 23.637 41.917 -99.200 -91.000 HIS 93 0.900 3.055 21.248 22.504 -99.200 -91.000