============================================================================= 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 37 0.840 -13.513 -14.296 47.339 -99.200 -91.000 TYR 42 0.840 -12.863 -33.663 33.128 -99.200 -91.000 TYR 44 0.840 -16.818 -37.141 27.646 -99.200 -91.000 PHE 50 1.000 -5.989 -27.248 18.496 -99.200 -91.000 TYR 57 0.840 -8.575 -28.591 22.218 -99.200 -91.000 PHE 59 1.000 -11.396 -22.706 25.456 -99.200 -91.000 HIS 87 0.900 -3.792 -35.146 38.191 -99.200 -91.000 TYR 96 0.840 -5.913 -23.160 20.940 -99.200 -91.000 PHE 99 1.000 -4.426 -17.417 31.138 -99.200 -91.000 PHE 107 1.000 -18.014 -13.154 38.771 -99.200 -91.000 PHE 109 1.000 -20.285 -14.960 47.472 -99.200 -91.000 PHE 114 1.000 -17.367 -10.826 44.378 -99.200 -91.000