============================================================================= 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 30 0.840 93.020 39.965 -66.001 -99.200 -91.000 PHE 40 1.000 84.701 39.731 -48.897 -99.200 -91.000 TYR 51 0.840 81.410 44.031 -34.457 -99.200 -91.000 HIS 54 0.900 80.153 49.389 -28.577 -99.200 -91.000 TYR 67 0.840 83.914 39.349 -32.223 -99.200 -91.000 TYR 77 0.840 85.293 27.255 -38.118 -99.200 -91.000 PHE 79 1.000 93.476 34.492 -39.407 -99.200 -91.000