============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TRP 23 1.040 42.026 61.793 87.093 -99.200 -91.000 TRP6 23 1.020 43.687 63.345 87.747 -99.200 -91.000 TYR 27 0.840 43.352 62.497 81.356 -99.200 -91.000 TYR 30 0.840 45.670 65.912 78.860 -99.200 -91.000 PHE 41 1.000 56.414 71.907 93.054 -99.200 -91.000 PHE 42 1.000 59.456 77.349 88.507 -99.200 -91.000 PHE 51 1.000 66.464 70.230 92.730 -99.200 -91.000 PHE 52 1.000 60.369 71.636 87.830 -99.200 -91.000 PHE 55 1.000 59.564 74.530 83.453 -99.200 -91.000 TRP 72 1.040 56.910 67.315 76.358 -99.200 -91.000 TRP6 72 1.020 55.078 65.858 75.971 -99.200 -91.000 HIS 73 0.900 58.645 68.872 83.799 -99.200 -91.000 HIS 105 0.900 60.754 62.098 88.383 -99.200 -91.000 PHE 109 1.000 63.969 62.954 84.332 -99.200 -91.000 TYR 115 0.840 61.868 70.493 96.717 -99.200 -91.000 PHE 116 1.000 59.807 62.599 93.641 -99.200 -91.000 PHE 134 1.000 43.452 63.094 94.229 -99.200 -91.000 TYR 149 0.840 65.070 60.110 94.357 -99.200 -91.000