============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 19 1.040 63.825 5.243 -53.779 -99.200 -91.000 TRP6 19 1.020 64.575 3.745 -55.448 -99.200 -91.000 TRP 64 1.040 52.226 -8.937 -52.825 -99.200 -91.000 TRP6 64 1.020 51.346 -7.117 -54.029 -99.200 -91.000 TRP 79 1.040 56.383 -2.216 -62.112 -99.200 -91.000 TRP6 79 1.020 57.247 -4.325 -61.563 -99.200 -91.000 PHE 80 1.000 51.728 -3.876 -69.948 -99.200 -91.000 TYR 111 0.840 61.647 -10.870 -73.477 -99.200 -91.000 PHE 115 1.000 58.711 -12.485 -69.683 -99.200 -91.000 TRP 118 1.040 51.710 -14.995 -68.919 -99.200 -91.000 TRP6 118 1.020 50.243 -15.724 -70.590 -99.200 -91.000 PHE 119 1.000 54.106 -14.930 -65.017 -99.200 -91.000 TYR 127 0.840 41.914 -21.149 -63.154 -99.200 -91.000 TRP 156 1.040 76.771 -9.278 -67.823 -99.200 -91.000 TRP6 156 1.020 76.950 -9.343 -70.197 -99.200 -91.000 PHE 158 1.000 68.252 -10.071 -73.527 -99.200 -91.000 PHE 231 1.000 72.844 -17.212 -61.009 -99.200 -91.000 PHE 262 1.000 70.311 -20.804 -87.081 -99.200 -91.000 PHE 265 1.000 68.506 -31.052 -90.661 -99.200 -91.000 TYR 282 0.840 76.668 -12.046 -86.336 -99.200 -91.000 TYR 296 0.840 76.732 -28.373 -85.180 -99.200 -91.000 TYR 302 0.840 80.263 -24.964 -94.603 -99.200 -91.000 PHE 305 1.000 73.712 -20.389 -93.172 -99.200 -91.000 HIS 343 0.900 85.099 -19.601 -77.722 -99.200 -91.000 PHE 365 1.000 82.189 0.458 -79.736 -99.200 -91.000 PHE 366 1.000 86.469 -9.248 -81.533 -99.200 -91.000 PHE 386 1.000 76.953 -14.905 -72.864 -99.200 -91.000 PHE 393 1.000 80.749 -26.317 -84.944 -99.200 -91.000 PHE 395 1.000 73.887 -30.933 -90.878 -99.200 -91.000 PHE 410 1.000 76.898 -25.507 -70.663 -99.200 -91.000 TYR 415 0.840 67.738 -20.655 -81.832 -99.200 -91.000 PHE 416 1.000 64.115 -28.367 -86.304 -99.200 -91.000 TYR 417 0.840 65.692 -21.270 -90.125 -99.200 -91.000 PHE 421 1.000 54.182 -33.364 -90.248 -99.200 -91.000 TYR 433 0.840 70.127 -28.148 -77.065 -99.200 -91.000 HIS 438 0.900 60.295 -26.517 -88.226 -99.200 -91.000 PHE 450 1.000 60.648 -18.358 -73.714 -99.200 -91.000 TYR 465 0.840 53.054 -25.528 -68.312 -99.200 -91.000 TYR 470 0.840 58.691 -17.049 -58.541 -99.200 -91.000 TYR 475 0.840 45.650 -34.971 -49.989 -99.200 -91.000 TYR 480 0.840 30.767 -35.628 -46.685 -99.200 -91.000