============================================================================= 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 14 1.000 7.225 29.753 23.000 -99.200 -91.000 PHE 19 1.000 5.402 23.074 28.259 -99.200 -91.000 PHE 29 1.000 4.194 24.698 21.503 -99.200 -91.000 PHE 35 1.000 -1.805 37.597 16.543 -99.200 -91.000 HIS 37 0.900 4.187 35.161 18.913 -99.200 -91.000 PHE 41 1.000 10.265 21.377 20.262 -99.200 -91.000 PHE 70 1.000 4.092 22.703 15.265 -99.200 -91.000 TYR 80 0.840 12.141 16.690 23.500 -99.200 -91.000 PHE 82 1.000 9.215 25.474 23.928 -99.200 -91.000 TYR 83 0.840 14.908 28.873 18.276 -99.200 -91.000 HIS 87 0.900 8.044 37.762 18.284 -99.200 -91.000