============================================================================= 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 9 1.000 38.618 84.329 -0.308 -99.200 -91.000 PHE 14 1.000 28.435 76.737 2.305 -99.200 -91.000 TRP 16 1.040 36.321 79.956 9.228 -99.200 -91.000 TRP6 16 1.020 34.702 81.472 10.066 -99.200 -91.000 HIS 17 0.900 27.925 80.006 7.132 -99.200 -91.000 PHE 22 1.000 31.401 70.432 14.582 -99.200 -91.000 PHE 32 1.000 35.772 72.287 14.138 -99.200 -91.000 TRP 67 1.040 27.048 71.639 -10.165 -99.200 -91.000 TRP6 67 1.020 28.948 70.254 -10.441 -99.200 -91.000