============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. HIS 1 0.900 24.600 34.645 91.916 -99.200 -91.000 PHE 48 1.000 18.250 61.945 77.382 -99.200 -91.000 PHE 56 1.000 20.843 57.533 76.768 -99.200 -91.000 PHE 65 1.000 15.396 56.943 77.239 -99.200 -91.000 HIS 75 0.900 21.431 77.182 82.659 -99.200 -91.000 PHE 76 1.000 29.004 78.886 81.292 -99.200 -91.000 PHE 83 1.000 23.044 75.506 75.284 -99.200 -91.000 TRP 90 1.040 18.670 69.032 66.355 -99.200 -91.000 TRP6 90 1.020 17.261 67.126 66.343 -99.200 -91.000 HIS 104 0.900 13.034 53.623 79.296 -99.200 -91.000 TRP 108 1.040 20.805 48.612 75.530 -99.200 -91.000 TRP6 108 1.020 22.902 49.587 76.043 -99.200 -91.000 HIS 120 0.900 23.930 40.132 95.443 -99.200 -91.000 HIS 143 0.900 28.273 36.887 97.818 -99.200 -91.000 TYR 149 0.840 41.333 44.635 83.402 -99.200 -91.000 PHE 166 1.000 41.222 54.641 91.819 -99.200 -91.000 PHE 168 1.000 37.085 62.347 94.791 -99.200 -91.000 TYR 178 0.840 18.146 73.534 102.658 -99.200 -91.000 TRP 226 1.040 7.361 71.678 103.386 -99.200 -91.000 TRP6 226 1.020 8.282 72.597 101.408 -99.200 -91.000 HIS 227 0.900 6.819 72.709 108.043 -99.200 -91.000 TRP 233 1.040 9.493 79.751 97.972 -99.200 -91.000 TRP6 233 1.020 10.570 79.026 95.995 -99.200 -91.000 HIS 243 0.900 0.637 77.116 101.392 -99.200 -91.000 TRP 248 1.040 13.892 63.096 97.500 -99.200 -91.000 TRP6 248 1.020 15.333 63.558 95.677 -99.200 -91.000 PHE 252 1.000 21.804 70.835 95.507 -99.200 -91.000 TYR 262 0.840 38.769 59.698 85.256 -99.200 -91.000 HIS 275 0.900 33.060 62.549 86.874 -99.200 -91.000 HIS 277 0.900 29.601 67.775 88.934 -99.200 -91.000 TRP 297 1.040 35.373 52.304 72.797 -99.200 -91.000 TRP6 297 1.020 37.399 52.181 71.584 -99.200 -91.000 TYR 315 0.840 37.691 55.457 81.695 -99.200 -91.000 HIS 316 0.900 44.334 59.298 83.865 -99.200 -91.000 HIS 320 0.900 42.534 63.925 85.382 -99.200 -91.000 PHE 337 1.000 22.333 78.769 87.722 -99.200 -91.000 TYR 356 0.840 30.457 90.065 70.117 -99.200 -91.000 HIS 362 0.900 34.550 78.058 73.913 -99.200 -91.000 TYR 374 0.840 37.401 61.553 73.665 -99.200 -91.000 HIS 381 0.900 38.023 65.756 58.311 -99.200 -91.000 HIS 407 0.900 21.494 51.091 66.068 -99.200 -91.000 TRP 429 1.040 43.607 46.829 61.980 -99.200 -91.000 TRP6 429 1.020 45.105 47.311 60.210 -99.200 -91.000 HIS 462 0.900 34.545 61.412 70.723 -99.200 -91.000 TRP 465 1.040 43.229 58.338 58.698 -99.200 -91.000 TRP6 465 1.020 41.822 57.669 56.914 -99.200 -91.000 HIS 471 0.900 49.527 66.857 60.359 -99.200 -91.000 HIS 472 0.900 46.132 60.551 62.755 -99.200 -91.000 TRP 481 1.040 42.251 55.289 68.093 -99.200 -91.000 TRP6 481 1.020 42.482 55.971 70.353 -99.200 -91.000 PHE 482 1.000 38.892 50.150 65.756 -99.200 -91.000