============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. HIS 23 0.900 33.008 61.260 47.737 -99.200 -91.000 PHE 24 1.000 33.092 52.343 50.911 -99.200 -91.000 TRP 26 1.040 24.577 56.000 46.227 -99.200 -91.000 TRP6 26 1.020 22.729 57.401 45.746 -99.200 -91.000 PHE 32 1.000 29.493 54.057 55.081 -99.200 -91.000 TYR 33 0.840 20.725 50.030 59.235 -99.200 -91.000 HIS 36 0.900 22.095 56.946 69.966 -99.200 -91.000 PHE 60 1.000 26.735 62.055 66.223 -99.200 -91.000 HIS 63 0.900 32.753 65.499 75.977 -99.200 -91.000 TRP 66 1.040 35.264 57.487 63.638 -99.200 -91.000 TRP6 66 1.020 33.540 57.043 65.202 -99.200 -91.000 HIS 68 0.900 37.592 55.553 59.674 -99.200 -91.000 HIS 75 0.900 46.238 49.754 53.095 -99.200 -91.000 PHE 76 1.000 48.309 45.076 46.658 -99.200 -91.000 TYR 79 0.840 57.020 39.402 48.501 -99.200 -91.000 TYR 91 0.840 58.021 29.657 45.611 -99.200 -91.000 HIS 121 0.900 40.143 27.429 40.044 -99.200 -91.000 TYR 124 0.840 48.881 25.382 40.791 -99.200 -91.000 TYR 128 0.840 57.412 35.511 48.909 -99.200 -91.000 TRP 134 1.040 46.326 42.022 37.253 -99.200 -91.000 TRP6 134 1.020 47.173 44.190 37.693 -99.200 -91.000 TRP 140 1.040 52.872 30.107 36.754 -99.200 -91.000 TRP6 140 1.020 51.394 29.053 38.274 -99.200 -91.000 TYR 146 0.840 54.752 39.348 38.467 -99.200 -91.000 TRP 162 1.040 35.945 51.440 62.559 -99.200 -91.000 TRP6 162 1.020 37.196 50.406 60.836 -99.200 -91.000 TYR 163 0.840 32.405 47.516 71.577 -99.200 -91.000 TRP 186 1.040 40.402 48.201 53.395 -99.200 -91.000 TRP6 186 1.020 38.417 49.430 52.989 -99.200 -91.000 TYR 200 0.840 45.900 62.264 57.280 -99.200 -91.000 TYR 208 0.840 59.234 48.593 59.034 -99.200 -91.000 TRP 239 1.040 55.566 42.359 53.394 -99.200 -91.000 TRP6 239 1.020 53.277 42.089 53.909 -99.200 -91.000 PHE 264 1.000 43.092 73.573 56.527 -99.200 -91.000 TRP 273 1.040 53.529 66.737 50.026 -99.200 -91.000 TRP6 273 1.020 53.365 67.408 47.765 -99.200 -91.000 PHE 284 1.000 55.313 60.088 57.125 -99.200 -91.000 TYR 300 0.840 35.278 73.019 46.227 -99.200 -91.000 HIS 324 0.900 32.903 75.414 41.022 -99.200 -91.000 PHE 326 1.000 39.145 73.732 42.098 -99.200 -91.000 TRP 358 1.040 27.986 73.617 33.329 -99.200 -91.000 TRP6 358 1.020 30.241 72.920 33.429 -99.200 -91.000 PHE 370 1.000 28.867 67.593 35.278 -99.200 -91.000 TYR 372 0.840 27.526 69.579 24.215 -99.200 -91.000 PHE 373 1.000 34.802 70.548 32.371 -99.200 -91.000 PHE 376 1.000 38.171 69.794 26.273 -99.200 -91.000 PHE 380 1.000 42.997 69.494 28.722 -99.200 -91.000 TRP 387 1.040 47.431 69.876 32.529 -99.200 -91.000 TRP6 387 1.020 45.290 70.712 33.110 -99.200 -91.000 PHE 391 1.000 52.414 68.683 40.883 -99.200 -91.000 TRP 436 1.040 24.259 66.146 36.563 -99.200 -91.000 TRP6 436 1.020 25.267 64.597 35.072 -99.200 -91.000 HIS 457 0.900 38.395 59.799 38.663 -99.200 -91.000 PHE 458 1.000 34.412 64.422 34.691 -99.200 -91.000 TYR 461 0.840 34.918 68.386 49.366 -99.200 -91.000 HIS 472 0.900 16.074 58.201 32.631 -99.200 -91.000 TYR 481 0.840 26.476 58.891 58.432 -99.200 -91.000 PHE 487 1.000 31.849 67.693 68.963 -99.200 -91.000 PHE 500 1.000 23.397 54.511 50.503 -99.200 -91.000 HIS 510 0.900 11.628 54.289 57.503 -99.200 -91.000 TYR 511 0.840 13.178 51.204 47.255 -99.200 -91.000 PHE 518 1.000 22.477 63.144 47.835 -99.200 -91.000 TRP 523 1.040 22.923 67.844 53.518 -99.200 -91.000 TRP6 523 1.020 25.191 68.236 54.075 -99.200 -91.000 PHE 528 1.000 25.002 60.964 70.919 -99.200 -91.000