============================================================================= 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 17 0.840 28.878 14.942 37.570 -99.200 -91.000 PHE 30 1.000 37.466 18.803 39.771 -99.200 -91.000 HIS 49 0.900 29.877 15.546 49.077 -99.200 -91.000 TYR 53 0.840 24.967 5.330 46.771 -99.200 -91.000 TYR 64 0.840 49.358 25.545 37.247 -99.200 -91.000 HIS 103 0.900 55.463 21.238 39.448 -99.200 -91.000 TYR 106 0.840 51.398 18.134 29.732 -99.200 -91.000 HIS 121 0.900 51.131 31.280 21.487 -99.200 -91.000 TYR 123 0.840 53.269 21.867 17.304 -99.200 -91.000 PHE 136 1.000 35.237 19.409 23.316 -99.200 -91.000 PHE 145 1.000 26.099 18.063 10.487 -99.200 -91.000 TYR 147 0.840 18.419 18.707 19.253 -99.200 -91.000 PHE 153 1.000 17.461 13.574 7.484 -99.200 -91.000 HIS 168 0.900 33.922 25.157 18.747 -99.200 -91.000 PHE 176 1.000 24.898 19.762 5.377 -99.200 -91.000 PHE 188 1.000 21.538 16.257 3.828 -99.200 -91.000 TRP 216 1.040 23.815 20.468 31.028 -99.200 -91.000 TRP6 216 1.020 24.943 20.584 33.115 -99.200 -91.000 HIS 224 0.900 32.925 10.118 22.786 -99.200 -91.000 HIS 231 0.900 38.483 2.882 29.803 -99.200 -91.000 PHE 247 1.000 41.668 15.977 5.774 -99.200 -91.000 HIS 249 0.900 44.479 22.436 3.472 -99.200 -91.000 PHE 254 1.000 42.071 22.413 8.909 -99.200 -91.000 TRP 271 1.040 36.935 10.780 7.536 -99.200 -91.000 TRP6 271 1.020 35.168 11.776 8.735 -99.200 -91.000 TYR 276 0.840 29.694 23.788 -0.676 -99.200 -91.000 TYR 292 0.840 50.088 30.757 15.730 -99.200 -91.000