============================================================================= 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 19.906-135.719 42.762 -99.200 -91.000 TYR 5 0.840 15.208-135.734 34.516 -99.200 -91.000 PHE 20 1.000 -18.015-133.120 24.437 -99.200 -91.000 TYR 33 0.840 7.709-153.184 41.329 -99.200 -91.000 TYR 39 0.840 -8.680-137.134 44.754 -99.200 -91.000 PHE 44 1.000 -3.354-129.789 38.833 -99.200 -91.000 PHE 57 1.000 10.813-135.673 38.910 -99.200 -91.000 PHE 68 1.000 -1.032-122.615 30.309 -99.200 -91.000 TRP 74 1.040 2.998-112.237 35.482 -99.200 -91.000 TRP6 74 1.020 3.401-109.974 36.042 -99.200 -91.000 TYR 75 0.840 -2.801-113.352 26.692 -99.200 -91.000 HIS 76 0.900 -6.317-113.774 32.391 -99.200 -91.000 PHE 77 1.000 -1.603-109.197 37.010 -99.200 -91.000 HIS 79 0.900 -1.071-109.090 26.048 -99.200 -91.000 HIS 95 0.900 8.237-120.110 22.237 -99.200 -91.000 TYR 98 0.840 13.689-126.384 21.701 -99.200 -91.000 PHE 102 1.000 20.132-127.803 24.455 -99.200 -91.000 PHE 103 1.000 17.890-130.502 34.704 -99.200 -91.000 TYR 105 0.840 9.751-127.989 33.000 -99.200 -91.000 TYR 106 0.840 13.282-137.492 32.120 -99.200 -91.000 HIS 108 0.900 5.467-138.528 27.427 -99.200 -91.000 TYR 123 0.840 -3.941-127.022 20.377 -99.200 -91.000 PHE 125 1.000 1.568-128.752 24.462 -99.200 -91.000 TYR 131 0.840 2.197-126.519 19.451 -99.200 -91.000 PHE 149 1.000 -11.439-148.346 23.608 -99.200 -91.000 PHE 156 1.000 -16.335-143.487 14.187 -99.200 -91.000 TYR 160 0.840 -12.314-150.115 5.222 -99.200 -91.000 TYR 173 0.840 -16.024-135.849 16.682 -99.200 -91.000 PHE 187 1.000 -8.138-142.926 32.415 -99.200 -91.000 HIS 194 0.900 1.273-149.255 33.360 -99.200 -91.000 PHE 215 1.000 -12.861-140.093 42.327 -99.200 -91.000 TYR 216 0.840 -17.522-141.691 36.623 -99.200 -91.000