============================================================================= 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. TYR 13 0.840 74.064 35.526 40.345 -99.200 -91.000 HIS 20 0.900 87.450 48.589 43.793 -99.200 -91.000 TYR 29 0.840 81.927 44.943 47.483 -99.200 -91.000 TYR 32 0.840 69.484 38.388 41.081 -99.200 -91.000 HIS 43 0.900 60.527 44.827 51.483 -99.200 -91.000 PHE 46 1.000 69.160 42.574 57.460 -99.200 -91.000 TYR 48 0.840 73.097 45.736 53.399 -99.200 -91.000 TYR 58 0.840 79.244 29.605 44.329 -99.200 -91.000 TRP 68 1.040 80.005 21.990 56.729 -99.200 -91.000 TRP6 68 1.020 78.827 21.560 54.726 -99.200 -91.000 TYR 77 0.840 83.343 25.993 60.856 -99.200 -91.000 PHE 99 1.000 70.559 26.877 51.589 -99.200 -91.000 PHE 103 1.000 68.501 34.217 45.294 -99.200 -91.000 TYR 132 0.840 82.472 15.064 30.114 -99.200 -91.000 PHE 143 1.000 73.137 15.942 39.194 -99.200 -91.000 PHE 144 1.000 77.682 15.706 36.484 -99.200 -91.000 PHE 152 1.000 72.687 13.105 34.623 -99.200 -91.000 TRP 156 1.040 82.027 10.847 40.295 -99.200 -91.000 TRP6 156 1.020 83.064 12.926 40.741 -99.200 -91.000 TYR 158 0.840 86.319 12.698 31.013 -99.200 -91.000 PHE 167 1.000 86.597 17.491 38.774 -99.200 -91.000 TYR 185 0.840 86.771 22.250 30.208 -99.200 -91.000 TYR 187 0.840 82.553 25.368 34.107 -99.200 -91.000 TYR 196 0.840 76.060 37.884 33.051 -99.200 -91.000 TYR 217 0.840 71.603 30.076 42.149 -99.200 -91.000 TRP 251 1.040 71.807 43.517 38.117 -99.200 -91.000 TRP6 251 1.020 73.695 44.937 37.952 -99.200 -91.000 TRP 252 1.040 70.969 36.511 33.543 -99.200 -91.000 TRP6 252 1.020 71.298 36.908 35.853 -99.200 -91.000 TYR 253 0.840 67.655 37.830 29.385 -99.200 -91.000