============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. TYR 8 0.840 -1.390 6.471 22.103 -99.200 -91.000 HIS 18 0.900 23.778 -8.281 17.633 -99.200 -91.000 PHE 28 1.000 24.560 -6.590 2.735 -99.200 -91.000 PHE 68 1.000 16.804 -1.352 6.958 -99.200 -91.000 PHE 72 1.000 7.354 5.912 7.430 -99.200 -91.000 TYR 87 0.840 34.416 5.985 16.853 -99.200 -91.000 PHE 102 1.000 16.745 9.128 22.542 -99.200 -91.000