============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. PHE 15 1.000 29.206 13.824 67.322 -99.200 -91.000 PHE 20 1.000 25.239 19.736 72.239 -99.200 -91.000 PHE 30 1.000 23.460 14.241 68.249 -99.200 -91.000 PHE 36 1.000 27.238 11.660 53.995 -99.200 -91.000 HIS 38 0.900 29.866 11.419 60.312 -99.200 -91.000 PHE 42 1.000 24.311 10.387 74.136 -99.200 -91.000 PHE 71 1.000 19.840 8.444 67.765 -99.200 -91.000 TYR 81 0.840 22.872 13.128 79.779 -99.200 -91.000 PHE 83 1.000 27.628 14.132 71.847 -99.200 -91.000 TYR 84 0.840 31.586 6.452 71.535 -99.200 -91.000 HIS 88 0.900 33.913 9.047 60.890 -99.200 -91.000