============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 93 rings ring int. center anis. iso. PHE 6 1.000 -22.876 47.721 94.259 -99.200 -91.000 TRP 13 1.040 -17.804 38.122 87.520 -99.200 -91.000 TRP6 13 1.020 -17.386 38.814 85.277 -99.200 -91.000 PHE 30 1.000 -23.625 22.758 78.476 -99.200 -91.000 PHE 58 1.000 -2.289 26.128 94.564 -99.200 -91.000 TYR 73 0.840 -3.646 35.950 94.819 -99.200 -91.000 TRP 83 1.040 -17.229 25.736 97.387 -99.200 -91.000 TRP6 83 1.020 -18.477 27.752 97.531 -99.200 -91.000 PHE 91 1.000 -22.840 23.038 93.948 -99.200 -91.000 TYR 112 0.840 -2.011 41.417 94.877 -99.200 -91.000 TRP 122 1.040 3.265 46.356 83.603 -99.200 -91.000 TRP6 122 1.020 0.962 46.647 83.172 -99.200 -91.000 TRP 123 1.040 -0.731 41.645 82.241 -99.200 -91.000 TRP6 123 1.020 -1.276 39.480 82.980 -99.200 -91.000 TRP 125 1.040 3.584 42.640 91.311 -99.200 -91.000 TRP6 125 1.020 3.615 41.944 93.583 -99.200 -91.000 HIS 141 0.900 -20.124 39.444 98.870 -99.200 -91.000 TYR 152 0.840 -8.395 38.252 100.810 -99.200 -91.000 HIS 158 0.900 0.046 49.190 97.946 -99.200 -91.000 PHE 159 1.000 0.217 45.455 94.984 -99.200 -91.000 TRP 164 1.040 -10.296 55.793 83.797 -99.200 -91.000 TRP6 164 1.020 -11.065 57.834 82.943 -99.200 -91.000 PHE 167 1.000 4.192 51.116 83.199 -99.200 -91.000 HIS 203 0.900 -12.116 56.714 87.061 -99.200 -91.000 TRP 212 1.040 -15.921 52.574 72.330 -99.200 -91.000 TRP6 212 1.020 -16.402 51.372 74.305 -99.200 -91.000 TYR 214 0.840 -12.932 54.438 64.113 -99.200 -91.000 PHE 222 1.000 -4.049 53.250 63.598 -99.200 -91.000 PHE 227 1.000 -6.223 46.746 69.315 -99.200 -91.000 HIS 230 0.900 5.943 46.851 72.697 -99.200 -91.000 TYR 235 0.840 0.714 42.562 69.941 -99.200 -91.000 TYR 239 0.840 -1.015 42.637 74.122 -99.200 -91.000 PHE 251 1.000 -19.587 46.819 75.780 -99.200 -91.000 PHE 259 1.000 -23.525 50.508 89.127 -99.200 -91.000 PHE 269 1.000 -16.181 45.747 71.289 -99.200 -91.000 PHE 270 1.000 -21.786 46.981 70.210 -99.200 -91.000 PHE 277 1.000 -11.481 42.075 67.226 -99.200 -91.000 TYR 303 0.840 -6.485 26.553 64.297 -99.200 -91.000 TRP 328 1.040 -21.504 40.768 64.352 -99.200 -91.000 TRP6 328 1.020 -21.490 41.915 66.398 -99.200 -91.000 TRP 335 1.040 -14.373 32.675 61.238 -99.200 -91.000 TRP6 335 1.020 -15.228 34.599 62.305 -99.200 -91.000 TYR 341 0.840 -4.685 21.753 63.881 -99.200 -91.000 HIS 373 0.900 -6.919 40.878 46.695 -99.200 -91.000 PHE 376 1.000 -7.323 44.770 58.069 -99.200 -91.000 HIS 384 0.900 -3.534 39.991 49.793 -99.200 -91.000 TRP 389 1.040 -5.799 30.719 47.399 -99.200 -91.000 TRP6 389 1.020 -5.211 32.998 47.469 -99.200 -91.000 TRP 402 1.040 12.981 45.174 61.143 -99.200 -91.000 TRP6 402 1.020 14.198 46.878 62.216 -99.200 -91.000 TYR 403 0.840 12.163 40.867 67.194 -99.200 -91.000 TYR 414 0.840 16.342 36.944 64.954 -99.200 -91.000 HIS 415 0.900 15.805 37.288 59.804 -99.200 -91.000 TYR 422 0.840 2.561 34.111 58.793 -99.200 -91.000 PHE 423 1.