============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 2 1.000 20.089-135.594 42.816 -99.200 -91.000 TYR 5 0.840 15.447-135.597 34.420 -99.200 -91.000 PHE 20 1.000 -17.336-133.006 23.388 -99.200 -91.000 TYR 33 0.840 7.290-153.685 41.453 -99.200 -91.000 TYR 39 0.840 -8.424-136.806 44.605 -99.200 -91.000 PHE 44 1.000 -2.856-129.645 38.653 -99.200 -91.000 PHE 57 1.000 11.126-135.577 38.516 -99.200 -91.000 PHE 68 1.000 -0.432-122.428 30.358 -99.200 -91.000 TRP 74 1.040 3.490-112.316 35.764 -99.200 -91.000 TRP6 74 1.020 4.092-110.107 36.351 -99.200 -91.000 TYR 75 0.840 -1.953-113.195 26.656 -99.200 -91.000 HIS 76 0.900 -5.557-113.167 32.162 -99.200 -91.000 PHE 77 1.000 -0.772-108.825 36.956 -99.200 -91.000 HIS 79 0.900 0.292-108.901 26.108 -99.200 -91.000 HIS 95 0.900 8.771-119.862 22.160 -99.200 -91.000 TYR 98 0.840 14.403-125.880 21.897 -99.200 -91.000 PHE 102 1.000 20.877-127.715 24.798 -99.200 -91.000 PHE 103 1.000 18.200-130.557 35.043 -99.200 -91.000 TYR 105 0.840 10.163-127.626 33.009 -99.200 -91.000 TYR 106 0.840 11.746-138.643 31.716 -99.200 -91.000 HIS 108 0.900 2.618-136.733 26.016 -99.200 -91.000 TYR 123 0.840 -3.019-126.752 20.185 -99.200 -91.000 PHE 125 1.000 2.219-128.344 24.328 -99.200 -91.000 TYR 131 0.840 3.126-126.148 19.400 -99.200 -91.000 PHE 149 1.000 -11.255-148.447 23.319 -99.200 -91.000 PHE 156 1.000 -16.266-144.322 13.930 -99.200 -91.000 TYR 160 0.840 -11.852-150.717 5.312 -99.200 -91.000 TYR 173 0.840 -15.482-136.207 16.735 -99.200 -91.000 PHE 187 1.000 -7.885-142.876 32.165 -99.200 -91.000 HIS 194 0.900 1.362-149.455 33.104 -99.200 -91.000 PHE 215 1.000 -12.673-139.884 42.035 -99.200 -91.000 TYR 216 0.840 -17.133-141.294 36.193 -99.200 -91.000