============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 1 0.840 39.573 16.321 32.193 -99.200 -91.000 TRP 6 1.040 29.575 2.366 21.596 -99.200 -91.000 TRP6 6 1.020 29.255 4.674 21.223 -99.200 -91.000 TRP 20 1.040 35.571 2.880 17.370 -99.200 -91.000 TRP6 20 1.020 33.528 3.478 18.385 -99.200 -91.000 TYR 57 0.840 15.858 -0.486 23.213 -99.200 -91.000 TYR 59 0.840 8.850 7.263 27.148 -99.200 -91.000 HIS 79 0.900 17.107 20.522 5.083 -99.200 -91.000 TYR 92 0.840 13.786 4.958 11.967 -99.200 -91.000 TRP 107 1.040 -3.925 -1.460 10.103 -99.200 -91.000 TRP6 107 1.020 -1.754 -1.634 11.015 -99.200 -91.000 HIS 117 0.900 5.907 -7.487 16.404 -99.200 -91.000 TRP 126 1.040 6.165 -3.481 21.651 -99.200 -91.000 TRP6 126 1.020 5.437 -5.730 21.504 -99.200 -91.000 PHE 142 1.000 1.162 -5.640 24.545 -99.200 -91.000 PHE 145 1.000 -4.445 -7.364 16.014 -99.200 -91.000 PHE 146 1.000 0.194 -9.037 14.824 -99.200 -91.000 TYR 182 0.840 13.796 -15.795 12.068 -99.200 -91.000 TYR 183 0.840 18.004 -7.148 18.283 -99.200 -91.000 TYR 185 0.840 15.548 -0.789 12.024 -99.200 -91.000 PHE 189 1.000 12.829 -7.728 3.967 -99.200 -91.000 PHE 201 1.000 3.801 -5.001 12.305 -99.200 -91.000 TRP 208 1.040 13.558 0.690 -0.938 -99.200 -91.000 TRP6 208 1.020 13.475 1.158 -3.249 -99.200 -91.000 TRP 219 1.040 19.159 -13.440 5.337 -99.200 -91.000 TRP6 219 1.020 17.637 -11.665 5.023 -99.200 -91.000 PHE 228 1.000 9.841 -9.066 0.239 -99.200 -91.000 HIS 247 0.900 4.519 7.554 5.894 -99.200 -91.000 HIS 254 0.900 18.028 3.138 15.609 -99.200 -91.000 HIS 265 0.900 35.489 12.594 27.669 -99.200 -91.000 HIS 272 0.900 40.381 12.734 16.453 -99.200 -91.000 PHE 277 1.000 39.065 4.704 13.156 -99.200 -91.000 PHE 288 1.000 36.375 -0.154 12.978 -99.200 -91.000 PHE 291 1.000 29.300 6.070 11.033 -99.200 -91.000 PHE 300 1.000 27.855 4.197 15.842 -99.200 -91.000 TYR 316 0.840 12.940 12.126 27.927 -99.200 -91.000 TYR 319 0.840 16.635 12.816 18.703 -99.200 -91.000 TYR 324 0.840 8.422 7.337 19.322 -99.200 -91.000 PHE 341 1.000 16.515 0.045 33.708 -99.200 -91.000