============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 3 0.900 -42.526 -50.887 42.779 -99.200 -91.000 HIS 12 0.900 -29.746 -39.362 32.108 -99.200 -91.000 TYR 14 0.840 -24.845 -44.671 31.153 -99.200 -91.000 TYR 19 0.840 -39.189 -40.795 21.372 -99.200 -91.000 HIS 23 0.900 -46.765 -41.955 20.795 -99.200 -91.000 HIS 32 0.900 -17.549 -46.283 17.704 -99.200 -91.000 TRP 35 1.040 -21.144 -49.007 15.477 -99.200 -91.000 TRP6 35 1.020 -22.462 -50.429 14.126 -99.200 -91.000 HIS 41 0.900 -37.491 -56.638 23.680 -99.200 -91.000 PHE 50 1.000 -35.439 -38.167 19.326 -99.200 -91.000 HIS 54 0.900 -33.097 -35.832 33.729 -99.200 -91.000 HIS 74 0.900 -26.292 -63.304 18.277 -99.200 -91.000 TYR 77 0.840 -34.843 -61.538 19.410 -99.200 -91.000 HIS 82 0.900 -38.613 -62.829 25.735 -99.200 -91.000 HIS 118 0.900 -26.864 -47.158 37.480 -99.200 -91.000 TRP 122 1.040 -37.053 -41.084 29.472 -99.200 -91.000 TRP6 122 1.020 -34.999 -41.395 28.336 -99.200 -91.000 PHE 130 1.000 -45.534 -46.373 29.130 -99.200 -91.000 TYR 138 0.840 -28.100 -46.749 42.589 -99.200 -91.000 HIS 140 0.900 -28.055 -55.216 45.665 -99.200 -91.000 HIS 149 0.900 -36.289 -72.038 43.239 -99.200 -91.000 TYR 151 0.840 -38.060 -65.436 35.426 -99.200 -91.000 TYR 167 0.840 -38.252 -50.125 49.614 -99.200 -91.000 HIS 185 0.900 -16.250 -51.145 33.275 -99.200 -91.000 TRP 192 1.040 -36.614 -62.688 29.406 -99.200 -91.000 TRP6 192 1.020 -37.567 -64.308 30.842 -99.200 -91.000 TYR 206 0.840 -31.964 -56.512 33.797 -99.200 -91.000 TYR 212 0.840 -24.688 -61.791 23.218 -99.200 -91.000 TRP 215 1.040 -22.800 -60.345 17.058 -99.200 -91.000 TRP6 215 1.020 -24.321 -58.717 17.852 -99.200 -91.000