============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 22 1.000 19.361 13.691 16.419 -99.200 -91.000 PHE 27 1.000 22.047 8.924 21.098 -99.200 -91.000 PHE 55 1.000 34.322 -1.911 14.548 -99.200 -91.000 HIS 81 0.900 44.946 -2.969 23.333 -99.200 -91.000 PHE 82 1.000 36.430 -5.001 22.859 -99.200 -91.000 TYR 83 0.840 36.412 -6.919 27.792 -99.200 -91.000 HIS 88 0.900 32.987 -3.728 27.133 -99.200 -91.000 PHE 90 1.000 30.671 -7.298 31.370 -99.200 -91.000 HIS 92 0.900 32.769 -0.759 39.475 -99.200 -91.000 HIS 138 0.900 11.852 23.625 19.592 -99.200 -91.000 TYR 144 0.840 12.606 17.116 9.714 -99.200 -91.000 TYR 161 0.840 -2.425 4.753 9.364 -99.200 -91.000 TYR 167 0.840 4.616 -6.122 5.566 -99.200 -91.000 HIS 175 0.900 -1.690 -13.452 24.444 -99.200 -91.000 HIS 182 0.900 2.304 9.071 16.389 -99.200 -91.000 TRP 184 1.040 6.869 10.515 11.609 -99.200 -91.000 TRP6 184 1.020 6.914 9.117 13.510 -99.200 -91.000 PHE 195 1.000 14.983 1.674 -4.719 -99.200 -91.000 HIS 198 0.900 20.485 -1.540 -7.738 -99.200 -91.000 TRP 208 1.040 7.396 -5.842 8.599 -99.200 -91.000 TRP6 208 1.020 6.444 -3.807 9.343 -99.200 -91.000 HIS 209 0.900 17.110 -3.073 9.318 -99.200 -91.000 HIS 229 0.900 35.560 -5.477 11.730 -99.200 -91.000 TYR 239 0.840 21.442 -10.336 8.185 -99.200 -91.000 PHE 240 1.000 16.069 -4.659 4.107 -99.200 -91.000 TYR 250 0.840 16.905 -9.669 14.853 -99.200 -91.000 HIS 259 0.900 2.014 3.708 26.463 -99.200 -91.000 HIS 260 0.900 10.353 -1.536 25.550 -99.200 -91.000 TYR 263 0.840 10.932 5.583 17.589 -99.200 -91.000 PHE 265 1.000 14.268 3.112 10.066 -99.200 -91.000 HIS 275 0.900 21.317 -19.201 -3.852 -99.200 -91.000 HIS 276 0.900 13.844 -18.653 -2.874 -99.200 -91.000 PHE 291 1.000 20.533 -17.149 -8.382 -99.200 -91.000 HIS 299 0.900 10.832 -24.370 10.256 -99.200 -91.000 PHE 330 1.000 12.192 -22.985 0.691 -99.200 -91.000 PHE 335 1.000 18.282 -18.988 8.091 -99.200 -91.000 TYR 340 0.840 12.247 -11.857 2.087 -99.200 -91.000 TYR 343 0.840 24.280 -10.885 0.562 -99.200 -91.000 TYR 352 0.840 5.546 3.974 3.773 -99.200 -91.000 HIS 357 0.900 3.355 3.695 22.655 -99.200 -91.000