============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 4 0.840 27.866 54.220 61.753 -99.200 -91.000 TYR 16 0.840 31.980 49.010 49.423 -99.200 -91.000 PHE 19 1.000 31.821 52.281 55.512 -99.200 -91.000 HIS 33 0.900 10.082 54.170 52.656 -99.200 -91.000 TYR 34 0.840 11.624 62.038 48.846 -99.200 -91.000 PHE 51 1.000 30.813 67.943 59.733 -99.200 -91.000 TYR 73 0.840 28.630 65.750 48.457 -99.200 -91.000 TYR 77 0.840 43.639 63.214 54.488 -99.200 -91.000 PHE 86 1.000 46.454 59.450 64.461 -99.200 -91.000 TYR 89 0.840 46.617 66.580 56.260 -99.200 -91.000 TYR 90 0.840 40.308 72.971 57.554 -99.200 -91.000 PHE 91 1.000 37.777 67.714 50.235 -99.200 -91.000 PHE 94 1.000 32.605 70.173 53.851 -99.200 -91.000 PHE 105 1.000 38.851 63.609 61.865 -99.200 -91.000 TYR 119 0.840 43.053 69.146 47.153 -99.200 -91.000 TYR 123 0.840 33.460 63.921 42.382 -99.200 -91.000 PHE 164 1.000 42.368 58.454 51.437 -99.200 -91.000 PHE 178 1.000 23.548 58.104 42.865 -99.200 -91.000 TYR 180 0.840 24.688 51.994 37.665 -99.200 -91.000 PHE 189 1.000 34.912 42.724 47.204 -99.200 -91.000 TRP 209 1.040 21.732 61.567 46.188 -99.200 -91.000 TRP6 209 1.020 22.454 62.672 48.146 -99.200 -91.000 PHE 224 1.000 12.651 58.664 37.825 -99.200 -91.000 TYR 233 0.840 31.115 68.630 35.155 -99.200 -91.000 TRP 240 1.040 20.812 55.360 32.107 -99.200 -91.000 TRP6 240 1.020 21.574 54.805 34.275 -99.200 -91.000 PHE 253 1.000 15.165 58.287 46.068 -99.200 -91.000