============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. HIS 4 0.900 21.261 3.103 43.316 -99.200 -91.000 HIS 7 0.900 20.648 2.252 30.599 -99.200 -91.000 TYR 19 0.840 12.838 21.058 25.800 -99.200 -91.000 TRP 26 1.040 13.532 31.478 32.286 -99.200 -91.000 TRP6 26 1.020 15.125 31.791 34.009 -99.200 -91.000 TYR 31 0.840 13.209 18.445 30.582 -99.200 -91.000 PHE 41 1.000 13.982 8.301 45.077 -99.200 -91.000 HIS 42 0.900 15.267 6.493 49.415 -99.200 -91.000 TYR 48 0.840 2.605 10.202 37.089 -99.200 -91.000 HIS 73 0.900 14.231 2.783 23.074 -99.200 -91.000 HIS 79 0.900 8.375 13.114 17.335 -99.200 -91.000 PHE 90 1.000 27.499 26.641 13.815 -99.200 -91.000 TRP 94 1.040 34.000 32.647 27.093 -99.200 -91.000 TRP6 94 1.020 33.656 34.978 26.917 -99.200 -91.000 TRP 104 1.040 27.312 32.724 13.293 -99.200 -91.000 TRP6 104 1.020 28.735 32.192 15.103 -99.200 -91.000 TYR 105 0.840 20.836 24.723 11.291 -99.200 -91.000 PHE 109 1.000 27.732 30.969 7.888 -99.200 -91.000 HIS 131 0.900 42.986 30.903 22.128 -99.200 -91.000 TYR 132 0.840 34.861 24.212 19.373 -99.200 -91.000 PHE 135 1.000 39.559 29.559 25.551 -99.200 -91.000 PHE 158 1.000 52.663 44.757 40.526 -99.200 -91.000 TYR 170 0.840 42.557 24.829 42.439 -99.200 -91.000 HIS 186 0.900 46.716 44.114 52.113 -99.200 -91.000 HIS 192 0.900 40.782 46.858 47.740 -99.200 -91.000 PHE 196 1.000 41.430 44.395 36.885 -99.200 -91.000 PHE 208 1.000 49.544 33.127 33.304 -99.200 -91.000 TYR 225 0.840 42.227 39.527 31.953 -99.200 -91.000 HIS 238 0.900 46.926 29.995 23.809 -99.200 -91.000 TYR 248 0.840 39.767 40.887 54.775 -99.200 -91.000 PHE 251 1.000 38.685 36.614 50.404 -99.200 -91.000 TYR 257 0.840 28.288 35.590 41.854 -99.200 -91.000 PHE 258 1.000 33.275 36.153 41.156 -99.200 -91.000 HIS 263 0.900 22.590 23.807 38.756 -99.200 -91.000 PHE 264 1.000 26.297 26.905 48.106 -99.200 -91.000 HIS 282 0.900 29.109 43.939 44.285 -99.200 -91.000 HIS 293 0.900 2.906 53.159 42.562 -99.200 -91.000 PHE 312 1.000 27.369 28.493 53.954 -99.200 -91.000 TYR 319 0.840 31.908 26.532 55.936 -99.200 -91.000 TRP 327 1.040 23.127 19.867 41.793 -99.200 -91.000 TRP6 327 1.020 21.149 20.706 40.802 -99.200 -91.000