============================================================================= 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 8 0.840 1.945 40.378 37.028 -99.200 -91.000 TYR 20 0.840 -5.527 31.419 31.038 -99.200 -91.000 PHE 22 1.000 -2.882 36.494 32.081 -99.200 -91.000 PHE 40 1.000 -4.230 44.278 28.035 -99.200 -91.000 PHE 51 1.000 4.781 52.078 30.590 -99.200 -91.000 PHE 58 1.000 7.367 58.981 21.921 -99.200 -91.000 PHE 77 1.000 -2.852 58.156 30.558 -99.200 -91.000 HIS 79 0.900 -0.677 52.503 39.519 -99.200 -91.000 TYR 85 0.840 -10.620 50.506 30.374 -99.200 -91.000 HIS 92 0.900 7.601 43.028 32.499 -99.200 -91.000 HIS 95 0.900 14.425 42.544 25.851 -99.200 -91.000 TYR 104 0.840 13.332 51.311 32.533 -99.200 -91.000 PHE 124 1.000 6.579 50.532 36.078 -99.200 -91.000 HIS 127 0.900 10.443 47.157 37.858 -99.200 -91.000 TRP 129 1.040 19.372 40.340 35.366 -99.200 -91.000 TRP6 129 1.020 20.962 41.769 34.338 -99.200 -91.000 TYR 169 0.840 17.745 28.477 17.824 -99.200 -91.000 PHE 175 1.000 15.811 25.866 29.330 -99.200 -91.000 HIS 187 0.900 14.507 30.021 47.710 -99.200 -91.000 TYR 190 0.840 12.633 31.930 38.484 -99.200 -91.000 PHE 196 1.000 10.256 29.929 21.908 -99.200 -91.000 HIS 200 0.900 13.186 41.490 20.694 -99.200 -91.000 TYR 203 0.840 12.270 39.945 10.933 -99.200 -91.000 PHE 235 1.000 12.962 26.705 34.206 -99.200 -91.000 PHE 237 1.000 9.984 27.882 29.698 -99.200 -91.000 PHE 239 1.000 6.307 33.251 21.135 -99.200 -91.000 HIS 240 0.900 11.250 38.993 25.802 -99.200 -91.000 TYR 256 0.840 6.185 22.277 24.247 -99.200 -91.000 TYR 269 0.840 0.653 47.475 9.093 -99.200 -91.000 PHE 271 1.000 -1.288 54.744 17.969 -99.200 -91.000 HIS 278 0.900 -7.344 61.660 9.503 -99.200 -91.000 PHE 280 1.000 -0.849 57.690 2.318 -99.200 -91.000 TYR 283 0.840 -4.871 65.754 -1.627 -99.200 -91.000 TYR 299 0.840 -5.362 71.933 10.918 -99.200 -91.000 TYR 304 0.840 -3.615 62.505 13.345 -99.200 -91.000 HIS 324 0.900 -6.460 29.442 22.783 -99.200 -91.000 HIS 332 0.900 -14.069 34.499 37.193 -99.200 -91.000 HIS 333 0.900 -17.028 43.224 36.085 -99.200 -91.000 HIS 334 0.900 -17.511 35.470 32.685 -99.200 -91.000