============================================================================= 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 12 0.840 -7.385 -11.367 43.561 -99.200 -91.000 HIS 14 0.900 -8.747 -5.796 53.032 -99.200 -91.000 PHE 18 1.000 -14.656 -15.796 41.011 -99.200 -91.000 PHE 22 1.000 -13.152 -1.260 41.760 -99.200 -91.000 HIS 23 0.900 -12.526 -9.552 42.606 -99.200 -91.000 HIS 43 0.900 1.130 -4.784 52.344 -99.200 -91.000 PHE 46 1.000 -5.509 -2.868 49.571 -99.200 -91.000 PHE 70 1.000 0.330 1.183 39.026 -99.200 -91.000 HIS 79 0.900 -2.453 -11.039 22.805 -99.200 -91.000 TRP 107 1.040 -9.695 3.935 29.615 -99.200 -91.000 TRP6 107 1.020 -11.497 2.884 28.485 -99.200 -91.000 PHE 111 1.000 -9.958 -8.657 29.448 -99.200 -91.000