============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 2 0.900 -27.991 33.274 -8.130 -99.200 -91.000 PHE 5 1.000 -28.855 37.837 -5.228 -99.200 -91.000 TRP 17 1.040 -20.771 37.250 -7.222 -99.200 -91.000 TRP6 17 1.020 -20.860 38.674 -5.345 -99.200 -91.000 PHE 22 1.000 -29.933 38.695 -20.527 -99.200 -91.000 TYR 32 0.840 -11.936 38.499 -5.964 -99.200 -91.000 PHE 35 1.000 -12.573 44.776 -12.036 -99.200 -91.000 PHE 36 1.000 -11.674 39.458 -19.933 -99.200 -91.000 TYR 41 0.840 -15.712 42.149 -14.334 -99.200 -91.000 TYR 56 0.840 -23.484 43.282 4.465 -99.200 -91.000 HIS 59 0.900 -17.572 50.126 -4.262 -99.200 -91.000 TYR 60 0.840 -24.013 50.016 -10.312 -99.200 -91.000 TRP 61 1.040 -14.852 48.731 -13.201 -99.200 -91.000 TRP6 61 1.020 -14.426 47.713 -15.284 -99.200 -91.000 PHE 77 1.000 -27.599 39.851 -11.762 -99.200 -91.000 TYR 84 0.840 -29.540 37.455 0.654 -99.200 -91.000 HIS 92 0.900 -20.122 53.257 -2.853 -99.200 -91.000 PHE 98 1.000 -13.743 59.219 -16.397 -99.200 -91.000 PHE 103 1.000 -14.113 49.239 -7.915 -99.200 -91.000 TYR 106 0.840 -13.452 48.344 -1.830 -99.200 -91.000 PHE 107 1.000 -10.021 45.871 -6.840 -99.200 -91.000 TYR 113 0.840 -8.981 49.908 -16.440 -99.200 -91.000 PHE 122 1.000 -30.293 43.550 -24.432 -99.200 -91.000 HIS 124 0.900 -30.174 44.145 -33.816 -99.200 -91.000 PHE 136 1.000 -48.207 32.208 -50.469 -99.200 -91.000 TRP 153 1.040 -42.038 38.085 -64.808 -99.200 -91.000 TRP6 153 1.020 -44.211 38.868 -64.322 -99.200 -91.000 PHE 156 1.000 -46.835 35.836 -61.596 -99.200 -91.000 PHE 162 1.000 -50.084 32.893 -60.579 -99.200 -91.000 HIS 171 0.900 -46.681 44.333 -55.503 -99.200 -91.000 TRP 173 1.040 -50.747 39.915 -62.266 -99.200 -91.000 TRP6 173 1.020 -51.296 38.015 -63.565 -99.200 -91.000 TYR 181 0.840 -67.128 29.867 -57.258 -99.200 -91.000 HIS 205 0.900 -49.110 48.368 -53.382 -99.200 -91.000 TYR 247 0.840 -52.616 13.568 -39.127 -99.200 -91.000 PHE 267 1.000 -58.947 20.174 -43.165 -99.200 -91.000 PHE 278 1.000 -58.094 19.527 -32.620 -99.200 -91.000 HIS 282 0.900 -50.890 22.678 -48.048 -99.200 -91.000 PHE 289 1.000 -50.316 26.099 -41.413 -99.200 -91.000 TRP 291 1.040 -56.203 26.012 -33.472 -99.200 -91.000 TRP6 291 1.020 -57.516 25.209 -31.667 -99.200 -91.000 PHE 311 1.000 -47.494 14.241 -38.853 -99.200 -91.000 TYR 317 0.840 -45.061 16.114 -45.509 -99.200 -91.000 PHE 335 1.000 -54.952 26.297 -38.966 -99.200 -91.000 PHE 338 1.000 -55.175 24.149 -46.612 -99.200 -91.000 PHE 339 1.000 -59.958 25.000 -40.299 -99.200 -91.000 TRP 342 1.040 -61.579 31.595 -38.614 -99.200 -91.000 TRP6 342 1.020 -60.575 29.575 -37.897 -99.200 -91.000