============================================================================= 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. TYR 3 0.840 5.375 21.673 15.216 -99.200 -91.000 TYR 22 0.840 18.442 20.873 9.645 -99.200 -91.000 TYR 36 0.840 19.938 18.120 -2.818 -99.200 -91.000 PHE 62 1.000 22.349 33.469 -0.193 -99.200 -91.000 TYR 72 0.840 11.994 34.998 -0.522 -99.200 -91.000 TYR 79 0.840 16.043 21.630 13.361 -99.200 -91.000 HIS 89 0.900 10.670 23.160 -6.777 -99.200 -91.000 TYR 95 0.840 19.562 35.070 -6.577 -99.200 -91.000