============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 3 1.040 10.857 16.377 25.234 -99.200 -91.000 TRP6 3 1.020 9.603 16.100 23.269 -99.200 -91.000 TYR 4 0.840 7.785 13.584 33.017 -99.200 -91.000 TRP 27 1.040 15.110 12.547 19.692 -99.200 -91.000 TRP6 27 1.020 14.030 10.505 19.291 -99.200 -91.000 PHE 46 1.000 15.692 -4.062 26.241 -99.200 -91.000 PHE 70 1.000 7.039 -1.791 -16.523 -99.200 -91.000 PHE 83 1.000 27.406 -8.977 -5.853 -99.200 -91.000 PHE 91 1.000 22.968 1.554 -12.460 -99.200 -91.000 TYR 96 0.840 10.863 -5.654 -18.254 -99.200 -91.000 HIS 103 0.900 16.917 8.428 0.660 -99.200 -91.000 PHE 141 1.000 22.249 4.731 -8.051 -99.200 -91.000 PHE 143 1.000 24.521 7.252 -3.222 -99.200 -91.000 TRP 147 1.040 20.509 5.672 5.200 -99.200 -91.000 TRP6 147 1.020 19.179 4.270 3.816 -99.200 -91.000 HIS 148 0.900 15.605 13.851 5.606 -99.200 -91.000 PHE 167 1.000 16.841 8.634 15.387 -99.200 -91.000 PHE 187 1.000 21.437 -6.305 8.422 -99.200 -91.000 HIS 211 0.900 16.678 -11.325 8.798 -99.200 -91.000 HIS 302 0.900 8.754 -14.570 -5.207 -99.200 -91.000 TRP 319 1.040 28.727 -1.319 -18.884 -99.200 -91.000 TRP6 319 1.020 29.722 -0.695 -16.835 -99.200 -91.000 TYR 327 0.840 27.422 11.818 -22.903 -99.200 -91.000 PHE 328 1.000 20.579 13.470 -17.429 -99.200 -91.000