============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 17.684 28.020 29.253 -99.200 -91.000 TRP6 14 1.020 17.369 25.732 29.582 -99.200 -91.000 PHE 19 1.000 13.001 41.833 16.433 -99.200 -91.000 TRP 37 1.040 6.808 37.488 36.548 -99.200 -91.000 TRP6 37 1.020 7.275 39.801 36.594 -99.200 -91.000 HIS 43 0.900 23.585 46.014 28.717 -99.200 -91.000 TYR 47 0.840 25.597 52.707 29.237 -99.200 -91.000 TRP 49 1.040 26.519 53.699 24.585 -99.200 -91.000 TRP6 49 1.020 26.207 51.355 24.572 -99.200 -91.000 PHE 53 1.000 15.849 50.712 23.229 -99.200 -91.000 HIS 65 0.900 18.432 26.675 15.586 -99.200 -91.000 TYR 70 0.840 7.013 34.290 12.917 -99.200 -91.000 TYR 84 0.840 7.841 45.376 37.579 -99.200 -91.000 HIS 86 0.900 18.542 45.880 42.339 -99.200 -91.000 TYR 89 0.840 20.799 49.720 35.076 -99.200 -91.000 TRP 91 1.040 21.982 55.294 34.591 -99.200 -91.000 TRP6 91 1.020 23.390 57.041 33.915 -99.200 -91.000 PHE 110 1.000 6.321 27.148 30.410 -99.200 -91.000 TYR 113 0.840 10.514 23.093 18.877 -99.200 -91.000 HIS 115 0.900 10.468 22.958 30.449 -99.200 -91.000 TYR 132 0.840 32.862 23.201 40.141 -99.200 -91.000 TRP 139 1.040 19.929 33.955 17.990 -99.200 -91.000 TRP6 139 1.020 18.393 33.748 19.778 -99.200 -91.000 TRP 146 1.040 30.144 42.947 11.558 -99.200 -91.000 TRP6 146 1.020 29.769 42.878 13.881 -99.200 -91.000 PHE 178 1.000 28.542 34.548 37.127 -99.200 -91.000 TYR 182 0.840 37.273 27.789 27.935 -99.200 -91.000 PHE 201 1.000 27.937 31.172 33.493 -99.200 -91.000 PHE 207 1.000 24.282 18.868 43.594 -99.200 -91.000 TRP 211 1.040 20.263 22.196 31.279 -99.200 -91.000 TRP6 211 1.020 22.456 22.689 30.628 -99.200 -91.000 TYR 212 0.840 19.170 24.716 39.310 -99.200 -91.000 TRP 219 1.040 30.490 44.728 33.391 -99.200 -91.000 TRP6 219 1.020 32.811 44.998 33.678 -99.200 -91.000 TYR 229 0.840 39.686 36.305 32.526 -99.200 -91.000 PHE 231 1.000 34.305 41.368 35.085 -99.200 -91.000 TYR 232 0.840 29.064 35.790 31.675 -99.200 -91.000 HIS 234 0.900 26.735 35.481 42.752 -99.200 -91.000 PHE 236 1.000 21.862 32.627 46.093 -99.200 -91.000 TRP 241 1.040 14.918 43.756 42.649 -99.200 -91.000 TRP6 241 1.020 15.382 42.520 40.694 -99.200 -91.000 PHE 249 1.000 5.676 44.414 40.716 -99.200 -91.000