============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 7 0.840 37.490 4.699 32.052 -99.200 -91.000 TRP 9 1.040 33.226 -0.226 26.927 -99.200 -91.000 TRP6 9 1.020 32.493 -1.176 24.894 -99.200 -91.000 TYR 22 0.840 35.258 2.845 25.457 -99.200 -91.000 TRP 33 1.040 40.201 8.902 25.985 -99.200 -91.000 TRP6 33 1.020 38.817 7.640 27.428 -99.200 -91.000 PHE 42 1.000 32.835 -11.902 12.321 -99.200 -91.000 TRP 47 1.040 34.800 -7.855 27.575 -99.200 -91.000 TRP6 47 1.020 32.927 -7.973 29.010 -99.200 -91.000 TRP 57 1.040 50.919 -2.551 25.795 -99.200 -91.000 TRP6 57 1.020 50.440 -0.238 25.887 -99.200 -91.000 TRP 61 1.040 52.592 3.821 27.519 -99.200 -91.000 TRP6 61 1.020 51.239 5.322 28.757 -99.200 -91.000 PHE 76 1.000 41.820 -0.598 16.127 -99.200 -91.000 TYR 95 0.840 33.101 12.061 11.309 -99.200 -91.000 TYR 113 0.840 18.278 -15.432 8.438 -99.200 -91.000 HIS 133 0.900 28.826 2.561 -9.002 -99.200 -91.000 TRP 142 1.040 26.363 -17.671 -0.295 -99.200 -91.000 TRP6 142 1.020 26.631 -15.698 -1.566 -99.200 -91.000 PHE 150 1.000 24.605 -12.843 -4.790 -99.200 -91.000 TYR 153 0.840 16.318 -16.234 -8.883 -99.200 -91.000 TYR 158 0.840 20.258 -4.044 -13.041 -99.200 -91.000 PHE 164 1.000 33.969 -4.601 -1.362 -99.200 -91.000 PHE 178 1.000 30.249 -15.745 -6.598 -99.200 -91.000 TRP 188 1.040 41.452 -11.966 -1.678 -99.200 -91.000 TRP6 188 1.020 40.249 -13.968 -2.058 -99.200 -91.000 PHE 197 1.000 45.720 -12.139 2.061 -99.200 -91.000 PHE 199 1.000 47.855 -7.134 1.361 -99.200 -91.000 HIS 229 0.900 45.473 2.540 -1.036 -99.200 -91.000 TRP 256 1.040 47.255 8.872 8.724 -99.200 -91.000 TRP6 256 1.020 47.969 7.417 10.435 -99.200 -91.000 TRP 279 1.040 28.783 8.789 12.881 -99.200 -91.000 TRP6 279 1.020 30.694 7.714 11.993 -99.200 -91.000