============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 29 0.840 -18.598 19.804 140.501 -99.200 -91.000 PHE 40 1.000 -27.605 13.361 136.390 -99.200 -91.000 HIS 58 0.900 -38.591 9.456 161.898 -99.200 -91.000 PHE 71 1.000 -28.258 10.797 144.161 -99.200 -91.000 HIS 72 0.900 -22.872 1.991 141.829 -99.200 -91.000 TYR 84 0.840 -12.845 12.762 145.466 -99.200 -91.000 PHE 100 1.000 -27.272 6.189 155.642 -99.200 -91.000 TYR 123 0.840 -12.657 19.815 153.745 -99.200 -91.000 TYR 126 0.840 -9.793 25.090 152.757 -99.200 -91.000 PHE 132 1.000 -18.627 35.023 147.467 -99.200 -91.000 TYR 133 0.840 -10.088 39.496 142.792 -99.200 -91.000 HIS 188 0.900 -26.634 26.572 171.837 -99.200 -91.000 PHE 192 1.000 -18.287 29.636 169.699 -99.200 -91.000 PHE 204 1.000 -23.159 35.027 157.950 -99.200 -91.000 TYR 205 0.840 -17.923 36.429 152.151 -99.200 -91.000 TRP 211 1.040 -29.168 30.768 156.952 -99.200 -91.000 TRP6 211 1.020 -27.051 31.012 157.969 -99.200 -91.000 HIS 218 0.900 -34.574 40.256 149.247 -99.200 -91.000 TYR 223 0.840 -31.247 40.813 141.963 -99.200 -91.000 HIS 226 0.900 -35.546 34.972 139.956 -99.200 -91.000 TYR 229 0.840 -29.786 38.346 145.931 -99.200 -91.000 PHE 238 1.000 -37.167 37.984 152.592 -99.200 -91.000 TRP 249 1.040 -44.088 37.772 152.297 -99.200 -91.000 TRP6 249 1.020 -42.426 36.530 153.427 -99.200 -91.000 PHE 262 1.000 -38.678 26.945 163.838 -99.200 -91.000 PHE 279 1.000 -28.130 35.136 150.867 -99.200 -91.000 TYR 288 0.840 -13.267 16.185 150.061 -99.200 -91.000 TYR 290 0.840 -9.707 26.468 146.819 -99.200 -91.000 HIS 320 0.900 -8.206 38.526 117.736 -99.200 -91.000 TRP 327 1.040 -4.457 46.431 120.798 -99.200 -91.000 TRP6 327 1.020 -6.517 47.562 120.771 -99.200 -91.000 PHE 332 1.000 -10.370 50.124 128.608 -99.200 -91.000 PHE 335 1.000 -9.353 55.962 123.154 -99.200 -91.000 TYR 346 0.840 -15.718 42.298 137.399 -99.200 -91.000 TRP 358 1.040 -17.677 31.778 116.025 -99.200 -91.000 TRP6 358 1.020 -17.847 30.871 113.864 -99.200 -91.000 HIS 361 0.900 -30.116 36.068 111.292 -99.200 -91.000 TYR 364 0.840 -32.820 37.403 116.678 -99.200 -91.000 HIS 375 0.900 -29.879 33.297 130.526 -99.200 -91.000 PHE 378 1.000 -18.805 33.334 133.214 -99.200 -91.000 HIS 383 0.900 -26.222 38.917 141.216 -99.200 -91.000 TYR 388 0.840 -16.925 45.531 131.781 -99.200 -91.000 TYR 394 0.840 -27.177 44.513 122.951 -99.200 -91.000 TYR 395 0.840 -23.192 48.932 125.311 -99.200 -91.000 PHE 397 1.000 -20.615 39.440 118.473 -99.200 -91.000 TYR 431 0.840 -15.248 41.135 113.120 -99.200 -91.000 PHE 433 1.000 -7.201 48.121 111.057 -99.200 -91.000 HIS 442 0.900 2.364 43.187 114.222 -99.200 -91.000 PHE 445 1.000 -7.115 54.260 119.101 -99.200 -91.000 PHE 457 1.000 -6.312 51.493 115.176 -99.200 -91.000 HIS 461 0.900 3.201 50.627 102.827 -99.200 -91.000 TYR 463 0.840 -0.691 44.451 109.659 -99.200 -91.000 PHE 466 1.000 -5.920 44.018 106.881 -99.200 -91.000 PHE 488 1.000 -8.900 53.935 110.946 -99.200 -91.000 PHE 490 1.000 -5.232 52.584 106.992 -99.200 -91.000