============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 2 0.900 -20.292 3.206 1.522 -99.200 -91.000 TYR 5 0.840 -12.584 -0.577 9.115 -99.200 -91.000 TYR 10 0.840 -8.046 -6.830 9.930 -99.200 -91.000 TYR 15 0.840 -2.343 -11.929 8.741 -99.200 -91.000 TYR 52 0.840 -2.574 -3.061 12.720 -99.200 -91.000 PHE 57 1.000 0.436 4.551 7.764 -99.200 -91.000 TYR 59 0.840 5.598 10.193 16.283 -99.200 -91.000 TYR 63 0.840 -2.959 12.093 6.839 -99.200 -91.000 PHE 75 1.000 -4.029 8.355 3.522 -99.200 -91.000 TYR 91 0.840 2.737 18.300 -5.737 -99.200 -91.000 PHE 117 1.000 3.635 15.540 -0.858 -99.200 -91.000 PHE 124 1.000 6.648 10.619 4.395 -99.200 -91.000 PHE 127 1.000 13.419 0.855 1.589 -99.200 -91.000 TYR 140 0.840 0.143 -14.702 -1.662 -99.200 -91.000 TYR 142 0.840 -6.407 -9.708 5.442 -99.200 -91.000 PHE 146 1.000 6.534 -5.055 6.745 -99.200 -91.000