============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TYR 9 0.840 59.768 23.763 0.696 -99.200 -91.000 PHE 11 1.000 65.379 22.110 9.440 -99.200 -91.000 PHE 12 1.000 63.894 19.737 5.189 -99.200 -91.000 PHE 32 1.000 47.943 17.585 10.443 -99.200 -91.000 PHE 39 1.000 53.005 21.234 17.141 -99.200 -91.000 PHE 58 1.000 46.307 27.033 19.705 -99.200 -91.000 TYR 59 0.840 51.593 30.638 24.991 -99.200 -91.000 PHE 72 1.000 53.865 23.462 11.740 -99.200 -91.000 TYR 81 0.840 65.142 16.693 23.169 -99.200 -91.000 HIS 82 0.900 58.045 16.768 27.065 -99.200 -91.000 TYR 83 0.840 55.142 19.280 19.570 -99.200 -91.000 HIS 128 0.900 65.568 38.601 11.971 -99.200 -91.000