============================================================================= 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. PHE 7 1.000 -51.544 -1.616 -25.728 -99.200 -91.000 PHE 16 1.000 -73.247 -1.211 -18.210 -99.200 -91.000 HIS 20 0.900 -74.739 13.894 3.040 -99.200 -91.000 TRP 21 1.040 -72.042 17.673 4.638 -99.200 -91.000 TRP6 21 1.020 -70.808 19.139 3.252 -99.200 -91.000 TRP 34 1.040 -84.195 34.378 -7.826 -99.200 -91.000 TRP6 34 1.020 -82.508 33.220 -9.020 -99.200 -91.000 TYR 37 0.840 -86.120 27.321 -6.916 -99.200 -91.000 TRP 44 1.040 -80.040 25.118 -6.181 -99.200 -91.000 TRP6 44 1.020 -78.167 24.398 -7.439 -99.200 -91.000 PHE 52 1.000 -71.565 9.175 -18.085 -99.200 -91.000 PHE 65 1.000 -64.122 -0.531 -13.975 -99.200 -91.000 PHE 69 1.000 -71.842 13.395 -9.532 -99.200 -91.000 TRP 76 1.040 -79.803 10.310 -26.971 -99.200 -91.000 TRP6 76 1.020 -78.965 11.756 -28.652 -99.200 -91.000 HIS 79 0.900 -73.644 3.443 -26.293 -99.200 -91.000 HIS 81 0.900 -71.038 14.062 -31.838 -99.200 -91.000 PHE 82 1.000 -68.867 12.738 -27.619 -99.200 -91.000 PHE 85 1.000 -65.942 11.023 -33.486 -99.200 -91.000 PHE 98 1.000 -59.664 16.467 -25.529 -99.200 -91.000 TYR 101 0.840 -62.872 20.974 -27.161 -99.200 -91.000 PHE 105 1.000 -72.883 20.003 -33.625 -99.200 -91.000 TYR 106 0.840 -73.105 18.501 -29.107 -99.200 -91.000 TRP 124 1.040 -55.418 8.306 -20.032 -99.200 -91.000 TRP6 124 1.020 -53.086 8.038 -20.222 -99.200 -91.000 TYR 136 0.840 -48.158 5.750 -9.334 -99.200 -91.000 PHE 149 1.000 -55.909 12.728 -0.469 -99.200 -91.000 TYR 150 0.840 -58.298 20.945 0.144 -99.200 -91.000 PHE 163 1.000 -58.977 14.053 5.513 -99.200 -91.000 TRP 164 1.040 -53.060 19.664 3.573 -99.200 -91.000 TRP6 164 1.020 -53.307 21.977 3.130 -99.200 -91.000 PHE 172 1.000 -76.661 32.857 6.319 -99.200 -91.000 HIS 178 0.900 -74.521 45.998 3.924 -99.200 -91.000 PHE 187 1.000 -70.325 28.599 8.428 -99.200 -91.000 HIS 191 0.900 -66.877 26.127 10.788 -99.200 -91.000 PHE 199 1.000 -57.209 21.923 10.416 -99.200 -91.000 TYR 205 0.840 -71.985 25.140 -6.148 -99.200 -91.000 TYR 211 0.840 -71.384 39.248 0.173 -99.200 -91.000 TRP 226 1.040 -58.268 27.650 -1.232 -99.200 -91.000 TRP6 226 1.020 -56.689 25.939 -0.831 -99.200 -91.000 TRP 227 1.040 -61.047 34.296 1.276 -99.200 -91.000 TRP6 227 1.020 -63.038 34.560 2.510 -99.200 -91.000 PHE 239 1.000 -61.437 34.935 -9.327 -99.200 -91.000 HIS 246 0.900 -59.386 42.177 0.411 -99.200 -91.000 PHE 251 1.000 -59.271 36.434 -3.327 -99.200 -91.000 HIS 256 0.900 -68.613 24.426 -10.746 -99.200 -91.000 TYR 258 0.840 -67.011 22.971 -18.133 -99.200 -91.000 TYR 261 0.840 -58.133 25.598 -27.238 -99.200 -91.000 PHE 263 1.000 -59.273 24.748 -16.128 -99.200 -91.000 TRP 280 1.040 -68.319 19.379 -14.800 -99.200 -91.000 TRP6 280 1.020 -69.906 17.641 -14.589 -99.200 -91.000 TYR 297 0.840 -47.485 31.609 -17.719 -99.200 -91.000 HIS 304 0.900 -64.923 18.407 -7.419 -99.200 -91.000 TYR 309 0.840 -61.819 7.901 -12.264 -99.200 -91.000 TYR 311 0.840 -57.523 9.870 -4.629 -99.200 -91.000 HIS 312 0.900 -53.903 6.176 -10.052 -99.200 -91.000 PHE 313 1.000 -53.117 16.349 -12.736 -99.200 -91.000 PHE 322 1.000 -52.196 21.937 -1.465 -99.200 -91.000 TYR 325 0.840 -61.978 11.382 0.395 -99.200 -91.000 PHE 339 1.000 -65.874 7.719 -8.104 -99.200 -91.000 PHE 343 1.000 -65.878 2.098 -8.837 -99.200 -91.000 TYR 353 0.840 -50.628 8.928 5.534 -99.200 -91.000 PHE 364 1.000 -57.485 6.477 -13.923 -99.200 -91.000 TYR 381 0.840 -83.611 4.309 -20.027 -99.200 -91.000 PHE 383 1.000 -78.977 5.084 -27.052 -99.200 -91.000