============================================================================= 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. PHE 6 1.000 12.912 35.707 30.399 -99.200 -91.000 PHE 14 1.000 4.786 32.358 26.823 -99.200 -91.000 PHE 19 1.000 2.077 39.689 40.071 -99.200 -91.000 PHE 40 1.000 -0.631 41.092 30.284 -99.200 -91.000 PHE 89 1.000 8.451 29.256 39.081 -99.200 -91.000 TYR 102 0.840 16.190 47.903 38.617 -99.200 -91.000 TRP 111 1.040 8.518 26.602 30.056 -99.200 -91.000 TRP6 111 1.020 9.817 28.553 30.369 -99.200 -91.000