============================================================================= 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 25 0.840 47.875 -21.656 29.002 -99.200 -91.000 TYR 28 0.840 45.465 -18.941 18.435 -99.200 -91.000 PHE 49 1.000 48.467 -12.448 29.510 -99.200 -91.000 TYR 56 0.840 57.850 -13.703 34.207 -99.200 -91.000 TYR 82 0.840 50.153 -4.665 30.109 -99.200 -91.000 PHE 91 1.000 64.010 -7.899 19.012 -99.200 -91.000 HIS 93 0.900 67.142 -12.272 15.608 -99.200 -91.000 PHE 98 1.000 56.513 -15.223 10.433 -99.200 -91.000