============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 3 0.900 -3.927 -10.201 41.699 -99.200 -91.000 TYR 18 0.840 -5.484 25.863 66.016 -99.200 -91.000 TYR 32 0.840 15.137 12.076 59.141 -99.200 -91.000 TYR 38 0.840 6.009 8.983 49.863 -99.200 -91.000 TYR 39 0.840 7.044 6.964 57.178 -99.200 -91.000 TYR 64 0.840 -3.640 13.332 51.236 -99.200 -91.000 PHE 74 1.000 5.574 5.833 44.368 -99.200 -91.000 PHE 78 1.000 -0.871 5.560 44.735 -99.200 -91.000 TYR 80 0.840 -5.565 10.240 43.887 -99.200 -91.000 PHE 93 1.000 -14.267 -1.149 54.641 -99.200 -91.000 PHE 99 1.000 -10.152 0.748 45.010 -99.200 -91.000 PHE 114 1.000 0.692 -0.139 61.707 -99.200 -91.000 TYR 115 0.840 11.640 -0.345 61.196 -99.200 -91.000 HIS 117 0.900 14.217 -9.161 61.620 -99.200 -91.000 PHE 119 1.000 4.066 -4.698 59.846 -99.200 -91.000 PHE 136 1.000 -2.278 -6.651 61.131 -99.200 -91.000 TYR 138 0.840 2.704 -1.651 69.102 -99.200 -91.000 TYR 139 0.840 3.548 -7.510 74.984 -99.200 -91.000 PHE 146 1.000 -2.938 2.768 72.825 -99.200 -91.000 PHE 151 1.000 -4.556 -12.170 71.541 -99.200 -91.000 TYR 171 0.840 -0.515 -8.958 72.552 -99.200 -91.000 TYR 177 0.840 -8.892 -1.364 60.952 -99.200 -91.000 PHE 178 1.000 -4.125 -6.847 55.482 -99.200 -91.000 TYR 179 0.840 -12.281 -5.273 57.256 -99.200 -91.000 TYR 207 0.840 -15.845 -9.330 58.406 -99.200 -91.000 TRP 224 1.040 0.350 2.279 65.818 -99.200 -91.000 TRP6 224 1.020 -1.508 2.107 67.264 -99.200 -91.000 HIS 230 0.900 1.302 19.850 68.636 -99.200 -91.000 PHE 239 1.000 11.421 3.450 65.546 -99.200 -91.000 PHE 249 1.000 19.398 -1.455 52.955 -99.200 -91.000 TYR 250 0.840 16.170 7.121 52.475 -99.200 -91.000 TYR 259 0.840 15.131 -1.944 41.268 -99.200 -91.000 TRP 263 1.040 4.815 -4.810 42.152 -99.200 -91.000 TRP6 263 1.020 3.789 -3.954 44.110 -99.200 -91.000 TYR 281 0.840 12.742 9.524 48.539 -99.200 -91.000 TYR 284 0.840 17.314 4.571 50.122 -99.200 -91.000 PHE 293 1.000 28.976 -0.699 48.419 -99.200 -91.000 HIS 294 0.900 27.584 -8.029 46.793 -99.200 -91.000