============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 23 1.040 -38.257 -1.723 15.471 -99.200 -91.000 TRP6 23 1.020 -39.958 -0.300 14.646 -99.200 -91.000 TRP 25 1.040 -42.836 -5.758 12.479 -99.200 -91.000 TRP6 25 1.020 -44.155 -4.258 13.748 -99.200 -91.000 PHE 35 1.000 -23.846 -16.712 8.326 -99.200 -91.000 HIS 36 0.900 -29.773 -12.180 10.110 -99.200 -91.000 PHE 37 1.000 -31.099 -17.556 5.354 -99.200 -91.000 TRP 47 1.040 -49.217 -18.621 6.825 -99.200 -91.000 TRP6 47 1.020 -48.606 -19.532 4.731 -99.200 -91.000 HIS 53 0.900 -32.925 -10.857 -2.058 -99.200 -91.000 PHE 67 1.000 -31.573 -5.278 21.493 -99.200 -91.000 PHE 85 1.000 -46.847 -22.285 0.555 -99.200 -91.000 TYR 90 0.840 -36.748 -13.545 -7.408 -99.200 -91.000 PHE 110 1.000 -48.398 -13.284 16.892 -99.200 -91.000 PHE 126 1.000 -48.857 2.495 2.623 -99.200 -91.000 TRP 137 1.040 -30.247 -8.460 14.515 -99.200 -91.000 TRP6 137 1.020 -32.438 -9.347 14.361 -99.200 -91.000 TYR 142 0.840 -19.479 -2.826 0.568 -99.200 -91.000 TYR 165 0.840 -27.784 5.730 -8.410 -99.200 -91.000 TRP 166 1.040 -31.436 2.424 -7.946 -99.200 -91.000 TRP6 166 1.020 -29.404 1.219 -8.101 -99.200 -91.000 TRP 201 1.040 -45.159 1.051 13.911 -99.200 -91.000 TRP6 201 1.020 -43.760 2.628 12.840 -99.200 -91.000 TRP 209 1.040 -33.258 -4.317 -6.428 -99.200 -91.000 TRP6 209 1.020 -32.358 -2.547 -7.720 -99.200 -91.000 TYR 222 0.840 -36.397 -0.735 1.188 -99.200 -91.000 TRP 231 1.040 -48.071 -14.952 -4.553 -99.200 -91.000 TRP6 231 1.020 -46.524 -14.964 -2.764 -99.200 -91.000