============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. TRP 6 1.040 22.688 18.863 8.002 -99.200 -91.000 TRP6 6 1.020 22.519 17.963 10.203 -99.200 -91.000 PHE 11 1.000 27.586 24.496 14.099 -99.200 -91.000 HIS 12 0.900 31.121 27.209 8.103 -99.200 -91.000 PHE 35 1.000 1.724 8.457 14.640 -99.200 -91.000 PHE 45 1.000 12.482 4.363 17.586 -99.200 -91.000 PHE 48 1.000 13.447 0.443 13.054 -99.200 -91.000