============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 4 0.900 24.147 43.160 45.451 -99.200 -91.000 TYR 12 0.840 15.959 37.380 37.480 -99.200 -91.000 TRP 29 1.040 19.656 43.672 52.913 -99.200 -91.000 TRP6 29 1.020 17.526 43.988 51.929 -99.200 -91.000 TRP 33 1.040 14.605 53.468 49.836 -99.200 -91.000 TRP6 33 1.020 15.540 52.367 47.973 -99.200 -91.000 TYR 36 0.840 14.157 47.680 48.258 -99.200 -91.000 TYR 41 0.840 10.526 36.950 36.957 -99.200 -91.000 TRP 52 1.040 14.961 22.162 38.996 -99.200 -91.000 TRP6 52 1.020 14.702 24.498 38.733 -99.200 -91.000 PHE 62 1.000 9.800 25.858 52.001 -99.200 -91.000 PHE 66 1.000 14.944 30.255 54.754 -99.200 -91.000 HIS 72 0.900 18.378 14.066 51.024 -99.200 -91.000 TYR 82 0.840 20.705 32.708 54.752 -99.200 -91.000 TRP 107 1.040 11.861 30.532 48.998 -99.200 -91.000 TRP6 107 1.020 11.131 32.684 48.381 -99.200 -91.000 HIS 111 0.900 25.633 26.837 48.967 -99.200 -91.000 TRP 120 1.040 53.719 24.105 36.983 -99.200 -91.000 TRP6 120 1.020 53.531 26.429 37.392 -99.200 -91.000 HIS 130 0.900 55.698 36.394 29.824 -99.200 -91.000 HIS 136 0.900 58.892 27.506 35.639 -99.200 -91.000 PHE 140 1.000 41.335 28.652 33.462 -99.200 -91.000 TRP 151 1.040 37.383 30.753 25.658 -99.200 -91.000 TRP6 151 1.020 37.508 28.410 25.317 -99.200 -91.000 PHE 171 1.000 38.384 18.609 34.977 -99.200 -91.000 HIS 194 0.900 40.286 8.231 44.795 -99.200 -91.000 PHE 197 1.000 38.774 16.707 41.140 -99.200 -91.000 HIS 201 0.900 42.876 18.912 48.240 -99.200 -91.000 TYR 205 0.840 34.447 34.002 46.613 -99.200 -91.000 TYR 208 0.840 26.152 38.008 46.704 -99.200 -91.000 TRP 219 1.040 22.912 34.423 48.418 -99.200 -91.000 TRP6 219 1.020 21.239 34.764 50.055 -99.200 -91.000 TYR 226 0.840 40.139 19.577 43.305 -99.200 -91.000 HIS 227 0.900 49.716 22.872 39.987 -99.200 -91.000 TRP 248 1.040 44.853 21.299 29.036 -99.200 -91.000 TRP6 248 1.020 44.919 21.366 31.388 -99.200 -91.000 TYR 258 0.840 29.710 33.000 33.508 -99.200 -91.000 HIS 261 0.900 34.018 31.346 36.326 -99.200 -91.000 PHE 264 1.000 35.994 32.712 41.645 -99.200 -91.000 HIS 275 0.900 53.442 35.757 32.702 -99.200 -91.000 TRP 276 1.040 48.135 38.529 37.165 -99.200 -91.000 TRP6 276 1.020 46.262 37.221 36.533 -99.200 -91.000 HIS 285 0.900 56.877 54.669 34.021 -99.200 -91.000