============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. HIS 9 0.900 -102.913 49.222 18.987 -99.200 -91.000 PHE 11 1.000 -103.326 49.244 13.246 -99.200 -91.000 PHE 17 1.000 -107.414 35.464 13.038 -99.200 -91.000 HIS 25 0.900 -102.981 6.110 15.926 -99.200 -91.000 TYR 45 0.840 -96.967 34.029 17.191 -99.200 -91.000 TYR 46 0.840 -95.177 39.955 8.468 -99.200 -91.000 TYR 63 0.840 -74.929 25.316 -1.062 -99.200 -91.000 PHE 71 1.000 -74.545 17.363 3.169 -99.200 -91.000 HIS 73 0.900 -79.466 19.416 4.168 -99.200 -91.000 HIS 94 0.900 -84.787 20.706 27.764 -99.200 -91.000 PHE 99 1.000 -80.556 16.634 6.664 -99.200 -91.000 HIS 102 0.900 -79.425 26.831 7.581 -99.200 -91.000 PHE 104 1.000 -87.289 23.771 14.089 -99.200 -91.000 PHE 106 1.000 -84.562 34.682 14.063 -99.200 -91.000 HIS 135 0.900 -72.763 18.365 12.115 -99.200 -91.000 TYR 137 0.840 -75.167 20.737 19.216 -99.200 -91.000 PHE 141 1.000 -81.606 23.528 17.393 -99.200 -91.000 TYR 142 0.840 -80.617 19.679 23.984 -99.200 -91.000 TYR 164 0.840 -82.408 11.061 36.661 -99.200 -91.000 TYR 175 0.840 -90.025 11.366 13.020 -99.200 -91.000 PHE 186 1.000 -90.949 2.373 13.077 -99.200 -91.000 TYR 189 0.840 -92.305 6.195 16.775 -99.200 -91.000 TRP 195 1.040 -88.442 3.350 30.367 -99.200 -91.000 TRP6 195 1.020 -86.499 3.528 29.046 -99.200 -91.000 PHE 201 1.000 -90.900 9.961 19.978 -99.200 -91.000 TYR 210 0.840 -94.858 10.012 6.660 -99.200 -91.000 TYR 211 0.840 -102.602 10.829 11.782 -99.200 -91.000 PHE 216 1.000 -96.057 1.307 20.933 -99.200 -91.000 PHE 236 1.000 -104.326 17.717 22.410 -99.200 -91.000 TYR 240 0.840 -100.920 12.802 25.626 -99.200 -91.000 TYR 255 0.840 -99.373 20.350 1.460 -99.200 -91.000 PHE 294 1.000 -70.142 38.969 11.981 -99.200 -91.000 TYR 308 0.840 -57.710 26.524 21.083 -99.200 -91.000 HIS 309 0.900 -63.325 24.902 21.964 -99.200 -91.000 TYR 311 0.840 -60.642 14.057 24.910 -99.200 -91.000 PHE 317 1.000 -55.983 16.914 24.242 -99.200 -91.000 TRP 325 1.040 -41.134 16.117 12.641 -99.200 -91.000 TRP6 325 1.020 -41.305 14.366 11.052 -99.200 -91.000 PHE 328 1.000 -52.942 21.800 13.803 -99.200 -91.000