============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. HIS 6 0.900 119.907 46.062 -11.610 -99.200 -91.000 HIS 15 0.900 142.264 39.120 -11.776 -99.200 -91.000 TRP 26 1.040 131.359 49.100 -7.981 -99.200 -91.000 TRP6 26 1.020 130.355 47.603 -6.445 -99.200 -91.000 PHE 32 1.000 133.905 41.246 3.867 -99.200 -91.000 PHE 45 1.000 134.637 45.125 -0.125 -99.200 -91.000 HIS 55 0.900 123.944 48.388 -8.932 -99.200 -91.000 TYR 61 0.840 138.807 34.214 -0.916 -99.200 -91.000 PHE 74 1.000 139.427 31.795 2.607 -99.200 -91.000 PHE 75 1.000 136.532 37.530 6.985 -99.200 -91.000 PHE 110 1.000 129.966 27.267 12.246 -99.200 -91.000 TYR 122 0.840 135.014 37.050 11.714 -99.200 -91.000 PHE 127 1.000 133.730 41.137 9.329 -99.200 -91.000 HIS 131 0.900 128.636 51.659 12.640 -99.200 -91.000 PHE 143 1.000 117.591 40.479 9.089 -99.200 -91.000 HIS 152 0.900 107.081 47.933 -3.726 -99.200 -91.000 PHE 154 1.000 107.283 36.916 -1.282 -99.200 -91.000 TYR 157 0.840 114.081 37.427 -7.700 -99.200 -91.000 PHE 158 1.000 110.726 34.197 -2.552 -99.200 -91.000 TRP 162 1.040 99.658 23.966 -0.105 -99.200 -91.000 TRP6 162 1.020 101.321 22.341 -0.533 -99.200 -91.000 TRP 167 1.040 97.081 35.427 0.619 -99.200 -91.000 TRP6 167 1.020 99.223 36.137 1.308 -99.200 -91.000 TYR 199 0.840 105.879 38.041 16.125 -99.200 -91.000 TYR 200 0.840 102.778 42.416 10.356 -99.200 -91.000 HIS 204 0.900 107.214 41.648 8.072 -99.200 -91.000 TYR 224 0.840 112.858 5.444 5.023 -99.200 -91.000 HIS 229 0.900 118.709 4.939 16.774 -99.200 -91.000 PHE 235 1.000 116.658 7.462 20.171 -99.200 -91.000 TYR 238 0.840 111.208 17.184 11.913 -99.200 -91.000 PHE 249 1.000 118.012 5.836 5.257 -99.200 -91.000 HIS 250 0.900 114.865 9.846 2.489 -99.200 -91.000 TYR 251 0.840 119.446 6.124 -6.193 -99.200 -91.000 TYR 285 0.840 115.052 16.298 0.159 -99.200 -91.000 HIS 286 0.900 111.097 17.132 -2.529 -99.200 -91.000 TYR 288 0.840 110.708 10.839 6.494 -99.200 -91.000 PHE 317 1.000 113.132 17.486 -11.147 -99.200 -91.000 PHE 318 1.000 109.367 15.860 -6.076 -99.200 -91.000 TYR 319 0.840 109.736 21.633 -4.917 -99.200 -91.000 HIS 329 0.900 97.390 21.077 -0.074 -99.200 -91.000 HIS 330 0.900 96.927 12.618 1.847 -99.200 -91.000 HIS 335 0.900 100.349 17.919 13.539 -99.200 -91.000 PHE 340 1.000 91.245 20.704 17.449 -99.200 -91.000 PHE 342 1.000 95.099 25.169 15.107 -99.200 -91.000 TYR 348 0.840 103.407 24.180 3.053 -99.200 -91.000 TYR 363 0.840 122.496 46.593 0.648 -99.200 -91.000