============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 4 1.000 -71.850 -15.078 33.482 -99.200 -91.000 TYR 19 0.840 -65.841 -29.331 44.527 -99.200 -91.000 TYR 20 0.840 -72.859 -34.300 42.841 -99.200 -91.000 PHE 43 1.000 -71.858 -35.995 29.082 -99.200 -91.000 HIS 50 0.900 -70.942 -50.064 39.665 -99.200 -91.000 PHE 52 1.000 -70.033 -49.003 44.872 -99.200 -91.000 HIS 54 0.900 -78.335 -44.537 44.684 -99.200 -91.000 TYR 56 0.840 -79.409 -47.880 34.486 -99.200 -91.000 TYR 57 0.840 -77.669 -41.901 27.466 -99.200 -91.000 TYR 65 0.840 -78.102 -44.232 21.274 -99.200 -91.000 TYR 73 0.840 -59.051 -51.066 27.413 -99.200 -91.000 TYR 76 0.840 -59.332 -45.620 35.857 -99.200 -91.000 TRP 81 1.040 -64.065 -44.299 31.582 -99.200 -91.000 TRP6 81 1.020 -64.835 -43.866 29.385 -99.200 -91.000 HIS 94 0.900 -80.016 -25.734 38.690 -99.200 -91.000 PHE 113 1.000 -65.571 -43.656 35.805 -99.200 -91.000 PHE 114 1.000 -69.959 -45.357 37.039 -99.200 -91.000 TRP 120 1.040 -69.152 -38.632 41.110 -99.200 -91.000 TRP6 120 1.020 -68.109 -40.268 39.751 -99.200 -91.000 TYR 128 0.840 -57.762 -27.319 25.451 -99.200 -91.000 PHE 141 1.000 -71.261 -30.490 27.368 -99.200 -91.000 PHE 142 1.000 -66.586 -24.962 27.377 -99.200 -91.000 HIS 150 0.900 -73.957 -16.934 18.368 -99.200 -91.000 PHE 155 1.000 -63.930 -25.030 31.774 -99.200 -91.000 HIS 175 0.900 -65.646 -8.159 39.140 -99.200 -91.000 TYR 178 0.840 -62.644 -12.117 39.832 -99.200 -91.000 TRP 183 1.040 -52.132 -11.393 38.979 -99.200 -91.000 TRP6 183 1.020 -50.325 -10.299 37.931 -99.200 -91.000 TYR 184 0.840 -56.689 -14.433 32.670 -99.200 -91.000 TRP 191 1.040 -51.088 -31.741 27.029 -99.200 -91.000 TRP6 191 1.020 -49.996 -33.729 27.658 -99.200 -91.000 TYR 192 0.840 -53.558 -34.700 30.937 -99.200 -91.000 TYR 193 0.840 -58.456 -27.051 30.457 -99.200 -91.000 TYR 214 0.840 -40.149 -26.314 41.517 -99.200 -91.000 TYR 216 0.840 -39.718 -36.270 35.250 -99.200 -91.000 PHE 235 1.000 -45.306 -36.216 49.112 -99.200 -91.000 PHE 251 1.000 -49.033 -32.539 63.118 -99.200 -91.000 PHE 255 1.000 -50.805 -34.693 58.660 -99.200 -91.000 TRP 256 1.040 -45.864 -35.567 58.214 -99.200 -91.000 TRP6 256 1.020 -46.379 -33.297 57.801 -99.200 -91.000 TRP 264 1.040 -54.764 -29.995 66.432 -99.200 -91.000 TRP6 264 1.020 -54.258 -30.333 64.160 -99.200 -91.000 TRP 271 1.040 -56.956 -23.341 60.877 -99.200 -91.000 TRP6 271 1.020 -57.226 -25.199 59.464 -99.200 -91.000 PHE 274 1.000 -50.331 -28.058 60.141 -99.200 -91.000 TYR 280 0.840 -43.247 -17.196 43.191 -99.200 -91.000 PHE 290 1.000 -50.218 -16.151 37.657 -99.200 -91.000 TYR 299 0.840 -50.945 -27.243 53.550 -99.200 -91.000 TYR 310 0.840 -58.674 -30.233 60.033 -99.200 -91.000 PHE 312 1.000 -49.323 -33.243 53.670 -99.200 -91.000 PHE 331 1.000 -55.417 -19.910 44.559 -99.200 -91.000 TYR 332 0.840 -64.269 -17.316 39.068 -99.200 -91.000 PHE 335 1.000 -60.039 -24.596 34.325 -99.200 -91.000 PHE 344 1.000 -54.475 -20.573 38.541 -99.200 -91.000 HIS 350 0.900 -59.583 -17.779 50.469 -99.200 -91.000 HIS 352 0.900 -60.362 -16.133 54.778 -99.200 -91.000 PHE 355 1.000 -55.061 -13.681 63.498 -99.200 -91.000 PHE 364 1.000 -43.938 -12.350 42.710 -99.200 -91.000 TYR 374 0.840 -40.975 -34.581 29.789 -99.200 -91.000