============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. HIS 2 0.900 -3.467 4.366 130.331 -99.200 -91.000 PHE 7 1.000 3.231 7.533 114.718 -99.200 -91.000 HIS 13 0.900 0.669 10.925 96.996 -99.200 -91.000 HIS 23 0.900 13.852 10.630 87.918 -99.200 -91.000 TYR 28 0.840 4.849 8.807 81.061 -99.200 -91.000 PHE 35 1.000 -2.959 7.623 73.380 -99.200 -91.000 PHE 44 1.000 4.383 -3.054 100.524 -99.200 -91.000 PHE 49 1.000 11.342 8.904 109.367 -99.200 -91.000 TYR 50 0.840 9.535 9.071 120.276 -99.200 -91.000 PHE 62 1.000 21.070 6.994 119.997 -99.200 -91.000 PHE 64 1.000 15.872 4.368 118.605 -99.200 -91.000 TRP 74 1.040 16.336 -4.533 115.432 -99.200 -91.000 TRP6 74 1.020 17.715 -6.322 114.730 -99.200 -91.000 HIS 89 0.900 22.682 12.067 115.531 -99.200 -91.000 TYR 91 0.840 24.614 2.182 123.429 -99.200 -91.000 TYR 99 0.840 27.639 -1.669 127.779 -99.200 -91.000 PHE 112 1.000 27.676 -5.702 120.587 -99.200 -91.000 PHE 113 1.000 19.505 -9.251 122.036 -99.200 -91.000 TYR 127 0.840 13.949 -3.591 125.677 -99.200 -91.000 PHE 129 1.000 20.825 -1.123 123.646 -99.200 -91.000 PHE 138 1.000 18.769 -5.318 105.019 -99.200 -91.000 TYR 142 0.840 21.140 2.473 108.913 -99.200 -91.000 PHE 147 1.000 15.670 3.806 109.406 -99.200 -91.000 TRP 155 1.040 2.884 -10.129 118.558 -99.200 -91.000 TRP6 155 1.020 1.988 -10.965 120.573 -99.200 -91.000 PHE 181 1.000 1.611 -1.679 119.788 -99.200 -91.000 PHE 183 1.000 0.809 2.479 115.946 -99.200 -91.000 TYR 184 0.840 -6.676 9.980 117.008 -99.200 -91.000 HIS 188 0.900 -6.017 16.461 111.958 -99.200 -91.000 HIS 191 0.900 2.567 14.133 105.133 -99.200 -91.000 PHE 194 1.000 -0.754 12.575 118.017 -99.200 -91.000 PHE 204 1.000 -5.658 9.018 121.559 -99.200 -91.000 TYR 205 0.840 -12.083 3.810 122.411 -99.200 -91.000 TYR 211 0.840 -10.209 -5.442 122.894 -99.200 -91.000 HIS 216 0.900 2.077 -15.637 112.281 -99.200 -91.000 TYR 219 0.840 4.536 -11.976 110.756 -99.200 -91.000 TRP 220 1.040 0.981 -6.352 116.458 -99.200 -91.000 TRP6 220 1.020 0.056 -6.716 118.607 -99.200 -91.000 HIS 227 0.900 -17.983 -9.718 102.654 -99.200 -91.000 PHE 253 1.000 -10.605 -8.675 96.615 -99.200 -91.000 PHE 268 1.000 6.697 1.966 79.633 -99.200 -91.000 PHE 271 1.000 2.240 6.871 89.638 -99.200 -91.000 TYR 272 0.840 -3.289 -0.069 89.158 -99.200 -91.000 PHE 284 1.000 -10.580 -2.120 99.718 -99.200 -91.000 PHE 286 1.000 -11.239 -5.423 104.765 -99.200 -91.000 TYR 293 0.840 -14.176 -4.342 112.472 -99.200 -91.000 TYR 299 0.840 -11.691 7.028 106.008 -99.200 -91.000 TYR 300 0.840 -10.461 3.033 97.848 -99.200 -91.000 HIS 303 0.900 -8.551 13.747 96.874 -99.200 -91.000 PHE 321 1.000 1.304 -10.629 102.785 -99.200 -91.000 PHE 326 1.000 -8.201 -8.377 101.273 -99.200 -91.000 PHE 332 1.000 -9.403 -1.234 109.225 -99.200 -91.000 TYR 336 0.840 -13.093 1.192 111.069 -99.200 -91.000 PHE 337 1.000 -7.678 3.998 119.936 -99.200 -91.000 PHE 340 1.000 -2.128 -2.428 116.636 -99.200 -91.000 TYR 342 0.840 3.157 -6.692 122.531 -99.200 -91.000 HIS 345 0.900 -1.226 -13.841 123.052 -99.200 -91.000