============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. TRP 6 1.040 13.876 31.448 33.590 -99.200 -91.000 TRP6 6 1.020 14.201 29.383 34.691 -99.200 -91.000 TRP 42 1.040 41.214 29.858 4.285 -99.200 -91.000 TRP6 42 1.020 39.747 30.779 2.684 -99.200 -91.000 PHE 53 1.000 21.380 29.384 2.006 -99.200 -91.000 TYR 59 0.840 40.122 28.700 8.998 -99.200 -91.000 HIS 69 0.900 33.182 19.538 29.790 -99.200 -91.000 PHE 99 1.000 11.732 18.308 27.240 -99.200 -91.000