============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TRP 12 1.040 8.730 4.792 -4.134 -99.200 -91.000 TRP6 12 1.020 10.270 6.551 -4.512 -99.200 -91.000 PHE 21 1.000 7.501 12.777 -10.368 -99.200 -91.000 TYR 25 0.840 2.657 13.174 4.927 -99.200 -91.000 TRP 34 1.040 3.624 19.362 9.164 -99.200 -91.000 TRP6 34 1.020 2.764 19.158 6.965 -99.200 -91.000 TRP 35 1.040 5.482 12.428 10.019 -99.200 -91.000 TRP6 35 1.020 4.905 10.995 11.804 -99.200 -91.000 HIS 37 0.900 14.145 11.491 14.141 -99.200 -91.000 TRP 43 1.040 12.290 -4.982 -1.181 -99.200 -91.000 TRP6 43 1.020 12.539 -5.662 1.069 -99.200 -91.000 PHE 79 1.000 14.609 -4.898 -9.970 -99.200 -91.000 TYR 94 0.840 22.772 -8.139 0.748 -99.200 -91.000 TYR 101 0.840 13.450 0.065 9.347 -99.200 -91.000