============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 7 0.840 -1.300 -22.604 25.854 -99.200 -91.000 HIS 15 0.900 7.432 -12.401 45.618 -99.200 -91.000 PHE 24 1.000 -16.692 -8.354 58.093 -99.200 -91.000 PHE 28 1.000 -11.135 -15.737 46.282 -99.200 -91.000 PHE 36 1.000 -4.452 -10.867 37.184 -99.200 -91.000 TYR 41 0.840 6.154 -19.423 29.013 -99.200 -91.000 HIS 61 0.900 -18.109 -19.763 46.741 -99.200 -91.000 PHE 70 1.000 -11.813 -13.886 41.154 -99.200 -91.000 TYR 74 0.840 -6.508 -9.943 32.714 -99.200 -91.000 PHE 76 1.000 -3.842 -10.768 28.378 -99.200 -91.000 TYR 77 0.840 2.224 -4.754 30.317 -99.200 -91.000 PHE 78 1.000 1.365 -9.944 23.454 -99.200 -91.000 TYR 81 0.840 7.156 -8.285 18.563 -99.200 -91.000 HIS 83 0.900 -0.355 -1.649 26.890 -99.200 -91.000 TYR 90 0.840 -9.657 -14.771 35.760 -99.200 -91.000 TYR 93 0.840 -18.810 -20.126 37.375 -99.200 -91.000 PHE 97 1.000 -15.894 -15.388 23.456 -99.200 -91.000 PHE 107 1.000 -0.000 -6.559 20.368 -99.200 -91.000 TYR 111 0.840 -12.065 -2.477 16.234 -99.200 -91.000 TYR 121 0.840 -7.762 -21.016 41.493 -99.200 -91.000 PHE 126 1.000 -5.230 -21.292 23.818 -99.200 -91.000 TYR 127 0.840 -5.951 -15.078 28.764 -99.200 -91.000 PHE 129 1.000 -5.486 -11.083 23.700 -99.200 -91.000 TYR 130 0.840 -11.571 -15.149 18.476 -99.200 -91.000 TYR 171 0.840 12.761 -12.419 28.856 -99.200 -91.000