============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 1 0.840 38.930 67.336 6.392 -99.200 -91.000 TYR 43 0.840 37.406 53.425 33.224 -99.200 -91.000 TYR 44 0.840 34.937 59.740 38.931 -99.200 -91.000 TRP 45 1.040 31.786 50.785 34.806 -99.200 -91.000 TRP6 45 1.020 31.025 51.372 32.639 -99.200 -91.000 TYR 53 0.840 48.621 48.603 34.341 -99.200 -91.000 PHE 59 1.000 40.388 48.514 15.069 -99.200 -91.000 HIS 65 0.900 35.536 49.272 2.727 -99.200 -91.000 TYR 72 0.840 34.076 41.710 12.488 -99.200 -91.000 HIS 76 0.900 32.606 40.008 15.420 -99.200 -91.000 HIS 77 0.900 36.134 46.006 22.583 -99.200 -91.000 TYR 79 0.840 36.763 46.973 27.542 -99.200 -91.000 TYR 96 0.840 49.208 54.343 4.793 -99.200 -91.000 TRP 99 1.040 48.821 48.641 1.266 -99.200 -91.000 TRP6 99 1.020 48.421 48.991 3.577 -99.200 -91.000