============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 21 1.000 18.991 62.252 28.798 -99.200 -91.000 HIS 23 0.900 14.390 53.021 21.659 -99.200 -91.000 HIS 25 0.900 9.869 54.195 25.148 -99.200 -91.000 PHE 38 1.000 16.293 48.289 19.095 -99.200 -91.000 HIS 57 0.900 43.031 49.518 28.553 -99.200 -91.000 PHE 61 1.000 27.237 44.856 24.112 -99.200 -91.000 HIS 73 0.900 5.493 48.183 22.789 -99.200 -91.000 TYR 77 0.840 9.366 37.736 15.457 -99.200 -91.000 HIS 92 0.900 34.614 42.697 22.315 -99.200 -91.000 PHE 96 1.000 19.966 41.121 22.740 -99.200 -91.000 HIS 97 0.900 20.829 37.762 31.652 -99.200 -91.000 PHE 121 1.000 15.867 38.883 21.644 -99.200 -91.000 PHE 129 1.000 13.491 39.841 30.029 -99.200 -91.000 TYR 131 0.840 22.403 45.209 25.963 -99.200 -91.000 HIS 132 0.900 26.019 38.613 30.228 -99.200 -91.000 TRP 141 1.040 39.198 41.293 31.819 -99.200 -91.000 TRP6 141 1.020 40.145 41.208 29.653 -99.200 -91.000 HIS 160 0.900 -2.392 47.462 32.192 -99.200 -91.000 TYR 169 0.840 7.233 54.873 30.880 -99.200 -91.000 TYR 173 0.840 15.537 60.599 33.656 -99.200 -91.000 TYR 174 0.840 20.020 50.965 31.388 -99.200 -91.000 PHE 180 1.000 34.033 50.017 35.768 -99.200 -91.000 TYR 181 0.840 35.120 43.396 40.723 -99.200 -91.000 TYR 190 0.840 42.178 52.556 42.541 -99.200 -91.000 TYR 193 0.840 47.076 47.388 33.975 -99.200 -91.000 TYR 200 0.840 42.336 37.419 31.874 -99.200 -91.000 HIS 214 0.900 37.205 52.661 41.387 -99.200 -91.000 PHE 217 1.000 23.965 54.306 40.704 -99.200 -91.000 HIS 242 0.900 19.911 50.541 39.764 -99.200 -91.000 HIS 252 0.900 16.059 54.932 50.122 -99.200 -91.000 HIS 257 0.900 8.341 56.737 50.152 -99.200 -91.000 TYR 260 0.840 1.847 51.377 41.599 -99.200 -91.000 TRP 262 1.040 6.333 45.681 37.425 -99.200 -91.000 TRP6 262 1.020 6.005 48.007 37.058 -99.200 -91.000 PHE 267 1.000 7.750 45.600 32.682 -99.200 -91.000 TRP 278 1.040 14.049 49.467 43.646 -99.200 -91.000 TRP6 278 1.020 13.378 51.580 44.499 -99.200 -91.000 PHE 279 1.000 19.064 41.863 46.665 -99.200 -91.000 PHE 289 1.000 4.446 54.756 37.249 -99.200 -91.000 TYR 290 0.840 8.324 58.978 44.287 -99.200 -91.000 PHE 292 1.000 10.726 62.367 41.431 -99.200 -91.000 TYR 298 0.840 13.158 63.958 45.478 -99.200 -91.000 TYR 300 0.840 18.005 55.232 41.641 -99.200 -91.000 HIS 303 0.900 20.007 53.136 52.312 -99.200 -91.000 PHE 309 1.000 25.843 58.898 49.952 -99.200 -91.000 HIS 316 0.900 23.409 64.476 43.500 -99.200 -91.000 PHE 317 1.000 15.678 60.730 39.406 -99.200 -91.000 TRP 323 1.040 7.870 71.889 51.413 -99.200 -91.000 TRP6 323 1.020 9.518 70.206 51.165 -99.200 -91.000