============================================================================= 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. TRP 6 1.040 24.925 17.809 11.262 -99.200 -91.000 TRP6 6 1.020 27.211 17.724 11.837 -99.200 -91.000 TRP 42 1.040 -0.796 -11.486 17.492 -99.200 -91.000 TRP6 42 1.020 0.688 -12.669 18.887 -99.200 -91.000 PHE 53 1.000 18.211 -13.171 18.884 -99.200 -91.000 TYR 59 0.840 0.077 -7.264 15.031 -99.200 -91.000 HIS 69 0.900 7.786 9.882 0.183 -99.200 -91.000 PHE 99 1.000 29.371 6.831 1.730 -99.200 -91.000