============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. TYR 7 0.840 -68.149 -10.440 87.539 -99.200 -91.000 PHE 10 1.000 -71.883 -10.879 83.659 -99.200 -91.000 PHE 20 1.000 -72.536 9.244 84.668 -99.200 -91.000 PHE 23 1.000 -78.110 7.921 91.293 -99.200 -91.000 TYR 34 0.840 -73.405 -2.021 97.628 -99.200 -91.000 PHE 36 1.000 -74.440 1.142 86.721 -99.200 -91.000 TRP 71 1.040 -50.793 -1.306 91.262 -99.200 -91.000 TRP6 71 1.020 -49.739 0.435 90.018 -99.200 -91.000 TYR 72 0.840 -56.727 -1.946 85.507 -99.200 -91.000 PHE 76 1.000 -62.899 -9.307 88.641 -99.200 -91.000 TYR 82 0.840 -67.961 -4.222 99.453 -99.200 -91.000 PHE 96 1.000 -69.368 -0.099 96.411 -99.200 -91.000 HIS 107 0.900 -57.454 1.087 89.576 -99.200 -91.000 TYR 121 0.840 -42.941 -3.753 72.611 -99.200 -91.000 PHE 125 1.000 -38.241 -6.934 73.717 -99.200 -91.000 PHE 127 1.000 -43.201 3.046 65.438 -99.200 -91.000 PHE 130 1.000 -47.520 -7.536 63.484 -99.200 -91.000 TYR 137 0.840 -58.592 -2.522 69.105 -99.200 -91.000 PHE 138 1.000 -53.716 -2.444 76.236 -99.200 -91.000 PHE 142 1.000 -54.926 0.453 80.767 -99.200 -91.000 TYR 143 0.840 -53.492 5.345 78.427 -99.200 -91.000 PHE 149 1.000 -61.426 1.122 84.929 -99.200 -91.000 HIS 156 0.900 -71.359 5.194 95.541 -99.200 -91.000 PHE 160 1.000 -74.817 8.342 96.772 -99.200 -91.000 HIS 168 0.900 -66.107 23.968 91.602 -99.200 -91.000 HIS 171 0.900 -69.724 22.286 89.272 -99.200 -91.000 TYR 189 0.840 -54.460 31.910 76.135 -99.200 -91.000 TYR 199 0.840 -38.260 26.511 77.835 -99.200 -91.000 TYR 200 0.840 -41.248 28.182 74.725 -99.200 -91.000 PHE 211 1.000 -74.143 32.524 65.077 -99.200 -91.000 TYR 224 0.840 -68.236 17.396 78.356 -99.200 -91.000 HIS 228 0.900 -64.223 13.903 81.732 -99.200 -91.000 PHE 230 1.000 -57.956 23.395 83.156 -99.200 -91.000 HIS 231 0.900 -56.284 16.024 80.435 -99.200 -91.000 PHE 234 1.000 -52.371 22.454 80.451 -99.200 -91.000 PHE 237 1.000 -56.709 27.599 74.561 -99.200 -91.000 TYR 248 0.840 -45.021 34.572 64.226 -99.200 -91.000 TYR 255 0.840 -43.746 36.409 70.139 -99.200 -91.000 PHE 289 1.000 -54.936 13.005 67.280 -99.200 -91.000 TYR 291 0.840 -52.098 6.271 72.881 -99.200 -91.000 TYR 293 0.840 -44.537 7.271 64.189 -99.200 -91.000 PHE 297 1.000 -44.260 13.058 81.859 -99.200 -91.000 TYR 299 0.840 -48.287 7.731 76.042 -99.200 -91.000 TYR 307 0.840 -59.985 12.952 79.829 -99.200 -91.000 TYR 310 0.840 -66.164 8.688 79.294 -99.200 -91.000 PHE 311 1.000 -69.518 11.515 79.293 -99.200 -91.000 TYR 318 0.840 -59.836 18.841 60.083 -99.200 -91.000 TYR 330 0.840 -66.106 18.875 65.376 -99.200 -91.000 PHE 339 1.000 -76.997 7.439 75.099 -99.200 -91.000 PHE 345 1.000 -62.285 -10.337 75.392 -99.200 -91.000 TRP 350 1.040 -59.118 -13.758 70.757 -99.200 -91.000 TRP6 350 1.020 -58.969 -14.937 68.695 -99.200 -91.000 HIS 352 0.900 -59.513 -4.405 65.864 -99.200 -91.000 TYR 353 0.840 -56.048 -6.567 71.897 -99.200 -91.000 TRP 362 1.040 -56.226 1.214 48.967 -99.200 -91.000 TRP6 362 1.020 -57.288 2.395 47.225 -99.200 -91.000