============================================================================= 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. TYR 10 0.840 47.542 48.274 0.469 -99.200 -91.000 TRP 22 1.040 35.915 36.320 5.522 -99.200 -91.000 TRP6 22 1.020 37.031 34.243 5.708 -99.200 -91.000 TYR 24 0.840 33.812 47.306 6.113 -99.200 -91.000 PHE 25 1.000 31.200 43.255 4.332 -99.200 -91.000 TYR 26 0.840 30.677 38.270 7.456 -99.200 -91.000 PHE 33 1.000 38.744 47.045 8.179 -99.200 -91.000 PHE 34 1.000 37.476 51.902 8.222 -99.200 -91.000 TYR 41 0.840 48.427 49.363 10.531 -99.200 -91.000 TYR 46 0.840 44.505 52.612 9.193 -99.200 -91.000 PHE 55 1.000 36.575 36.071 -8.991 -99.200 -91.000 PHE 71 1.000 36.417 62.607 5.398 -99.200 -91.000 PHE 75 1.000 35.452 67.507 2.346 -99.200 -91.000 TYR 90 0.840 30.726 48.332 -5.825 -99.200 -91.000 TYR 100 0.840 21.450 57.970 -20.386 -99.200 -91.000 TYR 105 0.840 27.858 56.052 -9.929 -99.200 -91.000 HIS 113 0.900 29.954 68.017 -11.558 -99.200 -91.000 PHE 121 1.000 23.598 73.490 -7.822 -99.200 -91.000 PHE 122 1.000 14.131 75.049 -13.243 -99.200 -91.000 PHE 132 1.000 9.123 76.464 5.473 -99.200 -91.000 PHE 135 1.000 9.071 67.797 6.982 -99.200 -91.000 TYR 139 0.840 7.978 63.813 7.116 -99.200 -91.000 PHE 143 1.000 5.912 62.999 13.628 -99.200 -91.000 PHE 158 1.000 10.437 58.177 11.992 -99.200 -91.000 PHE 167 1.000 8.790 58.123 -4.185 -99.200 -91.000 PHE 169 1.000 9.284 66.814 1.922 -99.200 -91.000 PHE 174 1.000 12.976 67.055 -4.448 -99.200 -91.000 TYR 175 0.840 10.134 65.066 -9.147 -99.200 -91.000 TRP 195 1.040 17.983 50.964 -8.935 -99.200 -91.000 TRP6 195 1.020 18.297 53.177 -8.143 -99.200 -91.000 PHE 198 1.000 19.067 42.991 -7.747 -99.200 -91.000 HIS 201 0.900 25.571 42.709 -4.563 -99.200 -91.000 HIS 218 0.900 29.548 40.430 1.644 -99.200 -91.000 PHE 220 1.000 31.488 35.476 -9.043 -99.200 -91.000 TYR 231 0.840 16.008 52.473 -13.206 -99.200 -91.000 TYR 235 0.840 12.702 56.370 -17.651 -99.200 -91.000 PHE 237 1.000 6.085 59.231 -9.162 -99.200 -91.000 PHE 238 1.000 11.458 59.646 -9.647 -99.200 -91.000 HIS 261 0.900 17.304 56.158 -17.219 -99.200 -91.000 PHE 265 1.000 22.200 57.388 -8.317 -99.200 -91.000 PHE 269 1.000 22.705 55.482 -4.323 -99.200 -91.000 TRP 272 1.040 12.672 57.042 0.158 -99.200 -91.000 TRP6 272 1.020 13.499 54.821 0.258 -99.200 -91.000 PHE 279 1.000 13.771 63.447 8.089 -99.200 -91.000 HIS 291 0.900 11.297 62.016 29.139 -99.200 -91.000 HIS 294 0.900 12.832 64.391 24.103 -99.200 -91.000 TYR 328 0.840 24.144 73.379 11.455 -99.200 -91.000 PHE 333 1.000 26.999 60.519 18.646 -99.200 -91.000 TYR 341 0.840 35.878 54.405 -1.206 -99.200 -91.000 HIS 353 0.900 44.315 66.277 14.293 -99.200 -91.000 PHE 357 1.000 51.093 59.973 7.548 -99.200 -91.000 TYR 366 0.840 37.168 54.469 3.511 -99.200 -91.000 TYR 368 0.840 33.568 54.751 9.567 -99.200 -91.000 PHE 379 1.000 33.624 68.626 16.171 -99.200 -91.000 PHE 385 1.000 22.589 64.292 19.762 -99.200 -91.000 PHE 390 1.000 28.112 71.730 15.659 -99.200 -91.000 HIS 401 0.900 37.027 71.738 12.124 -99.200 -91.000 TRP 404 1.040 25.433 67.408 6.164 -99.200 -91.000 TRP6 404 1.020 24.127 67.009 4.222 -99.200 -91.000 PHE 425 1.000 14.738 69.034 0.059 -99.200 -91.000 PHE 433 1.000 11.788 63.709 11.806 -99.200 -91.000 PHE 438 1.000 11.182 67.921 20.305 -99.200 -91.000 TYR 441 0.840 4.164 63.853 19.140 -99.200 -91.000 PHE 444 1.000 11.187 62.056 20.581 -99.200 -91.000 PHE 459 1.000 8.441 58.479 17.622 -99.200 -91.000