============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 9 0.900 3.282 -2.836 92.711 -99.200 -91.000 HIS 12 0.900 -6.092 6.615 88.271 -99.200 -91.000 HIS 14 0.900 -1.832 -4.420 87.175 -99.200 -91.000 PHE 18 1.000 -5.836 -1.883 78.769 -99.200 -91.000 PHE 39 1.000 -6.177 -5.855 82.817 -99.200 -91.000 HIS 53 0.900 -13.117 -24.436 80.978 -99.200 -91.000 PHE 57 1.000 -18.194 -17.591 81.676 -99.200 -91.000 PHE 58 1.000 -15.490 -12.358 76.480 -99.200 -91.000 PHE 59 1.000 -15.182 -14.758 72.138 -99.200 -91.000 TYR 72 0.840 -16.072 -2.284 74.556 -99.200 -91.000 PHE 74 1.000 -13.459 2.666 74.524 -99.200 -91.000 PHE 79 1.000 -20.909 4.829 69.320 -99.200 -91.000 HIS 89 0.900 -23.066 -3.056 50.332 -99.200 -91.000 TRP 104 1.040 -1.977 6.336 44.436 -99.200 -91.000 TRP6 104 1.020 -1.578 4.122 45.162 -99.200 -91.000 PHE 115 1.000 -4.593 4.220 49.380 -99.200 -91.000 PHE 116 1.000 -4.695 0.368 52.613 -99.200 -91.000 TYR 122 0.840 -13.069 9.368 50.609 -99.200 -91.000 PHE 133 1.000 -22.917 11.350 54.407 -99.200 -91.000 PHE 141 1.000 -17.487 11.872 57.752 -99.200 -91.000 TYR 145 0.840 -15.461 7.869 62.014 -99.200 -91.000 HIS 146 0.900 -6.231 9.315 62.908 -99.200 -91.000 TYR 157 0.840 -12.361 1.059 80.310 -99.200 -91.000 TYR 161 0.840 -18.092 13.253 79.500 -99.200 -91.000 PHE 167 1.000 -10.520 11.405 77.355 -99.200 -91.000 PHE 212 1.000 -34.551 11.281 63.301 -99.200 -91.000 PHE 221 1.000 -25.699 9.667 58.276 -99.200 -91.000 PHE 226 1.000 -15.447 4.247 66.819 -99.200 -91.000 HIS 229 0.900 -12.048 4.853 59.587 -99.200 -91.000 HIS 230 0.900 -11.091 0.325 65.347 -99.200 -91.000 TRP 238 1.040 -0.906 -3.938 60.953 -99.200 -91.000 TRP6 238 1.020 1.414 -4.233 61.290 -99.200 -91.000 HIS 246 0.900 6.146 -12.665 55.910 -99.200 -91.000 TYR 250 0.840 3.408 -7.969 46.335 -99.200 -91.000 TYR 261 0.840 -10.067 -10.152 39.400 -99.200 -91.000 PHE 269 1.000 -17.796 -14.705 38.981 -99.200 -91.000 HIS 270 0.900 -12.890 -13.683 39.517 -99.200 -91.000 HIS 289 0.900 0.364 -7.812 62.520 -99.200 -91.000 PHE 303 1.000 -22.205 -15.739 85.069 -99.200 -91.000 HIS 308 0.900 -8.894 -19.096 89.059 -99.200 -91.000 HIS 311 0.900 -17.272 -12.872 93.376 -99.200 -91.000 PHE 330 1.000 -4.124 -20.317 66.955 -99.200 -91.000 HIS 334 0.900 5.131 -15.077 69.391 -99.200 -91.000 PHE 336 1.000 2.195 -13.767 56.503 -99.200 -91.000 TYR 341 0.840 -4.894 -19.159 59.074 -99.200 -91.000 TRP 353 1.040 -14.867 -22.872 71.744 -99.200 -91.000 TRP6 353 1.020 -16.784 -21.538 71.363 -99.200 -91.000 TRP 355 1.040 -7.603 -17.740 63.507 -99.200 -91.000 TRP6 355 1.020 -9.214 -16.725 62.102 -99.200 -91.000 PHE 358 1.000 -13.132 -11.216 60.759 -99.200 -91.000 HIS 363 0.900 -21.540 -11.855 72.398 -99.200 -91.000 PHE 370 1.000 -18.638 -3.947 53.905 -99.200 -91.000 PHE 379 1.000 -4.695 -5.415 50.060 -99.200 -91.000 TYR 386 0.840 -0.381 2.240 40.643 -99.200 -91.000 PHE 388 1.000 0.903 -1.127 46.314 -99.200 -91.000 TYR 397 0.840 6.443 -0.765 57.045 -99.200 -91.000 HIS 401 0.900 -0.135 -2.064 70.161 -99.200 -91.000 TYR 416 0.840 2.266 5.179 43.931 -99.200 -91.000