============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. TYR 3 0.840 72.390 45.247 24.242 -99.200 -91.000 PHE 6 1.000 63.133 46.988 33.657 -99.200 -91.000 TRP 12 1.040 59.100 49.423 34.566 -99.200 -91.000 TRP6 12 1.020 57.139 50.252 35.582 -99.200 -91.000 TYR 21 0.840 54.761 59.973 39.490 -99.200 -91.000 PHE 25 1.000 54.232 52.978 40.768 -99.200 -91.000 PHE 30 1.000 50.052 49.335 43.510 -99.200 -91.000 PHE 33 1.000 59.294 44.816 37.476 -99.200 -91.000 HIS 54 0.900 54.792 62.836 34.857 -99.200 -91.000