============================================================================= 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 14 0.900 -64.496 27.230 20.582 -99.200 -91.000 PHE 25 1.000 -41.399 44.911 15.213 -99.200 -91.000 TRP 34 1.040 -44.221 36.832 12.877 -99.200 -91.000 TRP6 34 1.020 -45.419 37.087 14.905 -99.200 -91.000 PHE 35 1.000 -37.595 32.827 15.459 -99.200 -91.000 PHE 47 1.000 -44.750 32.737 7.294 -99.200 -91.000 TYR 48 0.840 -35.086 37.597 7.967 -99.200 -91.000 PHE 63 1.000 -41.592 44.617 9.266 -99.200 -91.000 TYR 70 0.840 -48.915 46.908 12.407 -99.200 -91.000 HIS 74 0.900 -55.444 36.096 10.113 -99.200 -91.000 TYR 86 0.840 -47.646 29.654 17.153 -99.200 -91.000 PHE 87 1.000 -40.992 32.475 22.454 -99.200 -91.000 TRP 97 1.040 -24.301 38.918 15.873 -99.200 -91.000 TRP6 97 1.020 -22.546 40.290 15.080 -99.200 -91.000 PHE 101 1.000 -35.301 35.972 19.952 -99.200 -91.000