============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 9 0.840 38.170 64.620 0.302 -99.200 -91.000 PHE 34 1.000 17.702 58.868 -6.682 -99.200 -91.000 HIS 35 0.900 26.490 61.441 -7.540 -99.200 -91.000 HIS 37 0.900 36.623 61.154 3.480 -99.200 -91.000 TRP 49 1.040 16.110 53.274 -14.627 -99.200 -91.000 TRP6 49 1.020 16.127 52.299 -12.491 -99.200 -91.000 TYR 51 0.840 22.247 49.727 -24.772 -99.200 -91.000 HIS 53 0.900 21.462 46.738 -15.018 -99.200 -91.000 PHE 89 1.000 30.827 60.091 -25.438 -99.200 -91.000 HIS 91 0.900 20.969 64.306 -31.013 -99.200 -91.000 PHE 92 1.000 22.212 64.790 -26.405 -99.200 -91.000 TRP 111 1.040 36.615 71.485 -13.603 -99.200 -91.000 TRP6 111 1.020 36.238 70.608 -11.428 -99.200 -91.000 TRP 123 1.040 23.330 44.934 -0.477 -99.200 -91.000 TRP6 123 1.020 22.876 46.581 1.167 -99.200 -91.000 TYR 127 0.840 18.655 48.163 -0.942 -99.200 -91.000 TRP 130 1.040 25.380 49.060 -10.400 -99.200 -91.000 TRP6 130 1.020 25.922 46.950 -11.333 -99.200 -91.000 TRP 138 1.040 42.203 61.271 -16.411 -99.200 -91.000 TRP6 138 1.020 44.560 61.196 -16.344 -99.200 -91.000 HIS 150 0.900 25.368 70.746 -6.302 -99.200 -91.000 HIS 151 0.900 17.320 66.078 -10.966 -99.200 -91.000 PHE 157 1.000 19.596 69.790 -13.406 -99.200 -91.000 TRP 172 1.040 36.703 65.734 10.892 -99.200 -91.000 TRP6 172 1.020 36.789 63.383 11.128 -99.200 -91.000