============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. TRP 21 1.040 9.965 12.615 14.665 -99.200 -91.000 TRP6 21 1.020 7.960 13.657 15.309 -99.200 -91.000 TRP 23 1.040 16.128 15.763 13.489 -99.200 -91.000 TRP6 23 1.020 17.784 17.391 13.901 -99.200 -91.000 TYR 30 0.840 17.443 9.187 10.336 -99.200 -91.000 HIS 35 0.900 9.653 3.812 11.244 -99.200 -91.000