============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. HIS 34 0.900 42.400 5.915 73.418 -99.200 -91.000 TRP 35 1.040 38.322 7.582 66.522 -99.200 -91.000 TRP6 35 1.020 37.864 6.445 64.499 -99.200 -91.000 TYR 36 0.840 46.774 7.224 68.038 -99.200 -91.000 HIS 41 0.900 56.304 11.559 52.635 -99.200 -91.000 TYR 50 0.840 40.947 6.956 77.634 -99.200 -91.000 PHE 62 1.000 40.295 16.380 62.394 -99.200 -91.000 PHE 71 1.000 33.932 2.349 70.264 -99.200 -91.000 PHE 83 1.000 41.522 15.648 51.062 -99.200 -91.000 TYR 86 0.840 41.817 10.849 59.270 -99.200 -91.000 PHE 87 1.000 46.362 3.717 60.396 -99.200 -91.000 TRP 94 1.040 49.081 -6.913 76.358 -99.200 -91.000 TRP6 94 1.020 49.946 -4.729 76.113 -99.200 -91.000 TYR 96 0.840 46.911 -1.100 75.315 -99.200 -91.000 PHE 98 1.000 47.849 0.987 66.741 -99.200 -91.000 PHE 118 1.000 56.938 1.571 27.290 -99.200 -91.000 PHE 135 1.000 55.846 2.625 32.749 -99.200 -91.000 PHE 139 1.000 44.823 4.191 37.664 -99.200 -91.000 TYR 140 0.840 39.238 9.571 41.865 -99.200 -91.000 TRP 148 1.040 50.808 -8.298 32.779 -99.200 -91.000 TRP6 148 1.020 52.074 -7.370 31.015 -99.200 -91.000 TRP 163 1.040 47.965 0.514 42.082 -99.200 -91.000 TRP6 163 1.020 48.507 -1.704 42.684 -99.200 -91.000 TYR 173 0.840 44.835 7.159 43.668 -99.200 -91.000 TYR 186 0.840 59.982 -11.591 25.203 -99.200 -91.000 HIS 189 0.900 54.698 -18.527 25.837 -99.200 -91.000 TYR 192 0.840 55.227 -12.129 25.455 -99.200 -91.000 HIS 198 0.900 39.467 3.613 36.196 -99.200 -91.000 PHE 209 1.000 55.567 -6.815 23.307 -99.200 -91.000