============================================================================= 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. PHE 22 1.000 14.497 35.807 19.813 -99.200 -91.000 TYR 24 0.840 12.655 31.129 16.266 -99.200 -91.000 TRP 29 1.040 15.494 25.418 10.452 -99.200 -91.000 TRP6 29 1.020 15.873 27.515 11.465 -99.200 -91.000 HIS 55 0.900 19.519 52.844 13.866 -99.200 -91.000 TRP 69 1.040 5.664 28.370 -4.328 -99.200 -91.000 TRP6 69 1.020 4.476 30.152 -5.345 -99.200 -91.000 PHE 82 1.000 12.529 53.468 9.350 -99.200 -91.000 PHE 89 1.000 15.590 50.368 1.692 -99.200 -91.000 HIS 93 0.900 25.266 54.300 6.432 -99.200 -91.000 PHE 104 1.000 25.562 38.883 -7.379 -99.200 -91.000 HIS 110 0.900 9.390 43.201 -0.749 -99.200 -91.000