============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 15.711 -13.977 33.505 -99.200 -91.000 TYR 31 0.840 30.605 -14.889 38.143 -99.200 -91.000 TYR 36 0.840 27.399 -18.486 33.116 -99.200 -91.000 TYR 37 0.840 25.609 -17.278 25.283 -99.200 -91.000 PHE 38 1.000 20.877 -14.797 31.595 -99.200 -91.000 TRP 40 1.040 14.058 -11.431 28.807 -99.200 -91.000 TRP6 40 1.020 16.398 -11.137 28.932 -99.200 -91.000 TYR 42 0.840 7.272 -12.635 19.892 -99.200 -91.000 PHE 57 1.000 19.379 -8.926 18.778 -99.200 -91.000 PHE 66 1.000 33.356 -6.834 15.973 -99.200 -91.000 TYR 89 0.840 48.747 4.970 5.314 -99.200 -91.000 TRP 90 1.040 42.062 9.249 -0.681 -99.200 -91.000 TRP6 90 1.020 40.049 9.835 0.410 -99.200 -91.000 TRP 98 1.040 42.094 16.751 4.522 -99.200 -91.000 TRP6 98 1.020 41.275 15.069 5.965 -99.200 -91.000 HIS 105 0.900 45.734 14.279 14.858 -99.200 -91.000 TYR 109 0.840 35.504 8.786 17.617 -99.200 -91.000 PHE 131 1.000 32.270 14.428 4.053 -99.200 -91.000 TYR 132 0.840 36.388 12.041 4.426 -99.200 -91.000 TRP 135 1.040 35.871 18.639 7.868 -99.200 -91.000 TRP6 135 1.020 38.066 18.307 8.644 -99.200 -91.000 TRP 139 1.040 37.141 23.120 17.315 -99.200 -91.000 TRP6 139 1.020 35.717 21.249 17.240 -99.200 -91.000 TYR 147 0.840 30.587 8.417 18.345 -99.200 -91.000 PHE 155 1.000 42.289 3.712 12.163 -99.200 -91.000 PHE 167 1.000 36.382 -2.093 7.475 -99.200 -91.000 PHE 176 1.000 33.702 -9.952 11.278 -99.200 -91.000 HIS 183 0.900 26.845 -18.753 12.983 -99.200 -91.000 TRP 185 1.040 26.677 -13.022 9.118 -99.200 -91.000 TRP6 185 1.020 27.894 -14.619 7.865 -99.200 -91.000 TYR 196 0.840 19.536 -8.158 9.302 -99.200 -91.000 TRP 198 1.040 12.249 -7.775 9.735 -99.200 -91.000 TRP6 198 1.020 12.788 -6.317 7.960 -99.200 -91.000 TYR 200 0.840 10.047 -4.657 15.025 -99.200 -91.000 HIS 207 0.900 16.535 -5.906 8.426 -99.200 -91.000 TYR 218 0.840 26.461 3.431 9.327 -99.200 -91.000 TRP 230 1.040 34.098 -7.607 19.808 -99.200 -91.000 TRP6 230 1.020 36.165 -7.687 18.646 -99.200 -91.000 TYR 256 0.840 45.808 5.196 21.160 -99.200 -91.000 TRP 257 1.040 43.363 11.548 21.525 -99.200 -91.000 TRP6 257 1.020 44.656 13.480 21.155 -99.200 -91.000 TYR 263 0.840 41.840 7.773 31.061 -99.200 -91.000 TRP 268 1.040 37.287 -2.061 22.539 -99.200 -91.000 TRP6 268 1.020 35.145 -2.885 23.124 -99.200 -91.000 TRP 273 1.040 36.382 -1.991 38.678 -99.200 -91.000 TRP6 273 1.020 34.065 -1.750 38.344 -99.200 -91.000 TRP 309 1.040 32.294 0.604 32.229 -99.200 -91.000 TRP6 309 1.020 30.849 -0.854 33.404 -99.200 -91.000 HIS 311 0.900 31.503 2.865 28.272 -99.200 -91.000 PHE 319 1.000 18.324 -4.283 14.883 -99.200 -91.000 TYR 322 0.840 27.042 -0.257 27.724 -99.200 -91.000 PHE 325 1.000 36.241 -5.271 27.398 -99.200 -91.000 TYR 341 0.840 17.583 0.124 25.302 -99.200 -91.000 TRP 351 1.040 28.147 0.436 37.903 -99.200 -91.000 TRP6 351 1.020