============================================================================= 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. TRP 15 1.040 0.595 1.106 38.007 -99.200 -91.000 TRP6 15 1.020 2.326 -0.320 38.779 -99.200 -91.000 PHE 21 1.000 0.422 9.230 31.917 -99.200 -91.000 HIS 34 0.900 31.551 5.762 31.145 -99.200 -91.000 HIS 51 0.900 0.701 9.171 18.906 -99.200 -91.000 HIS 67 0.900 8.669 12.429 24.172 -99.200 -91.000 PHE 93 1.000 13.017 12.159 20.776 -99.200 -91.000 HIS 105 0.900 25.784 9.778 6.028 -99.200 -91.000 PHE 110 1.000 16.062 5.935 14.593 -99.200 -91.000 PHE 130 1.000 12.778 5.339 36.494 -99.200 -91.000 HIS 138 0.900 9.391 -2.727 30.884 -99.200 -91.000 HIS 139 0.900 15.034 3.484 32.940 -99.200 -91.000 PHE 140 1.000 8.317 6.914 25.580 -99.200 -91.000 PHE 146 1.000 5.119 12.534 31.105 -99.200 -91.000 TYR 149 0.840 15.578 13.755 42.588 -99.200 -91.000 PHE 176 1.000 12.237 25.712 17.868 -99.200 -91.000 TYR 180 0.840 13.982 26.791 13.387 -99.200 -91.000 PHE 198 1.000 -1.552 17.955 4.275 -99.200 -91.000 PHE 229 1.000 -7.871 26.450 10.197 -99.200 -91.000 TYR 246 0.840 -11.641 23.549 0.906 -99.200 -91.000 PHE 264 1.000 10.855 22.785 -0.267 -99.200 -91.000 PHE 266 1.000 7.698 20.644 5.788 -99.200 -91.000 TYR 286 0.840 8.872 21.907 -9.258 -99.200 -91.000 TRP 314 1.040 6.547 10.181 1.235 -99.200 -91.000 TRP6 314 1.020 5.316 8.197 0.839 -99.200 -91.000 PHE 319 1.000 16.003 16.452 18.885 -99.200 -91.000 PHE 322 1.000 18.140 20.684 14.442 -99.200 -91.000 PHE 335 1.000 14.116 30.688 24.455 -99.200 -91.000 PHE 340 1.000 14.794 28.657 18.898 -99.200 -91.000 HIS 348 0.900 -4.100 25.366 28.118 -99.200 -91.000 PHE 352 1.000 5.070 14.555 37.867 -99.200 -91.000 PHE 359 1.000 -0.492 12.924 28.947 -99.200 -91.000 PHE 374 1.000 8.730 16.917 37.197 -99.200 -91.000