============================================================================= 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 24.876 11.220 19.405 -99.200 -91.000 TRP6 6 1.020 27.199 11.383 18.979 -99.200 -91.000 TRP 42 1.040 -0.812 40.796 13.619 -99.200 -91.000 TRP6 42 1.020 0.494 42.137 12.189 -99.200 -91.000 PHE 53 1.000 18.390 42.152 11.635 -99.200 -91.000 TYR 59 0.840 0.138 36.492 15.626 -99.200 -91.000 HIS 69 0.900 6.910 18.456 29.465 -99.200 -91.000 PHE 99 1.000 28.974 22.114 29.141 -99.200 -91.000