============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 1 0.840 28.864 1.416 25.570 -99.200 -91.000 HIS 3 0.900 35.633 1.712 17.283 -99.200 -91.000 PHE 19 1.000 6.151 3.862 30.424 -99.200 -91.000 TYR 31 0.840 27.634 14.655 19.691 -99.200 -91.000 PHE 39 1.000 32.941 18.762 9.264 -99.200 -91.000 TYR 57 0.840 18.124 25.536 33.631 -99.200 -91.000 HIS 64 0.900 28.882 16.233 32.061 -99.200 -91.000 TRP 65 1.040 26.612 18.446 24.378 -99.200 -91.000 TRP6 65 1.020 24.496 18.314 23.332 -99.200 -91.000 TYR 69 0.840 31.419 7.646 16.350 -99.200 -91.000 TYR 78 0.840 31.333 1.551 15.642 -99.200 -91.000 TRP 83 1.040 26.133 1.239 5.437 -99.200 -91.000 TRP6 83 1.020 26.886 3.263 4.472 -99.200 -91.000 TYR 95 0.840 24.399 6.153 28.425 -99.200 -91.000 TYR 121 0.840 4.136 4.578 20.538 -99.200 -91.000 TYR 129 0.840 4.979 33.190 9.967 -99.200 -91.000 PHE 130 1.000 10.233 30.256 15.428 -99.200 -91.000 PHE 148 1.000 1.342 13.653 19.209 -99.200 -91.000 TYR 156 0.840 7.274 5.869 5.469 -99.200 -91.000 TRP 161 1.040 8.612 -9.766 -1.856 -99.200 -91.000 TRP6 161 1.020 6.505 -9.567 -0.805 -99.200 -91.000 PHE 174 1.000 -1.895 -16.228 -0.348 -99.200 -91.000 PHE 186 1.000 -1.734 -3.156 -17.579 -99.200 -91.000 TYR 212 0.840 1.616 17.957 22.281 -99.200 -91.000 HIS 225 0.900 -10.223 8.946 7.391 -99.200 -91.000 PHE 232 1.000 -12.266 -3.923 4.514 -99.200 -91.000 PHE 237 1.000 -4.701 6.713 12.314 -99.200 -91.000 TYR 242 0.840 -14.013 9.840 14.764 -99.200 -91.000 PHE 249 1.000 -7.787 10.078 26.139 -99.200 -91.000 TRP 259 1.040 -16.220 15.872 12.561 -99.200 -91.000 TRP6 259 1.020 -16.067 18.204 12.198 -99.200 -91.000 PHE 262 1.000 -11.211 14.635 25.366 -99.200 -91.000 PHE 281 1.000 -5.068 17.885 7.617 -99.200 -91.000 TYR 292 0.840 -8.449 21.459 9.705 -99.200 -91.000 TYR 304 0.840 3.035 11.671 0.333 -99.200 -91.000 PHE 331 1.000 13.667 15.115 21.677 -99.200 -91.000 HIS 335 0.900 18.594 19.601 7.668 -99.200 -91.000 TYR 341 0.840 23.878 23.983 -0.867 -99.200 -91.000 TYR 346 0.840 25.612 29.071 1.328 -99.200 -91.000 HIS 362 0.900 11.019 13.569 26.243 -99.200 -91.000 TRP 365 1.040 17.213 20.243 32.196 -99.200 -91.000 TRP6 365 1.020 19.512 20.274 31.642 -99.200 -91.000 TYR 387 0.840 21.465 32.068 -0.856 -99.200 -91.000 PHE 389 1.000 14.565 31.274 7.803 -99.200 -91.000 PHE 404 1.000 20.171 31.707 12.630 -99.200 -91.000