============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 21 1.000 12.272 44.592 76.729 -99.200 -91.000 HIS 23 0.900 5.824 53.868 71.300 -99.200 -91.000 HIS 25 0.900 2.693 49.115 69.800 -99.200 -91.000 PHE 38 1.000 7.208 58.925 68.788 -99.200 -91.000 HIS 57 0.900 35.616 56.960 71.017 -99.200 -91.000 PHE 61 1.000 19.313 59.254 65.576 -99.200 -91.000 HIS 73 0.900 -1.945 53.048 64.964 -99.200 -91.000 TYR 77 0.840 -0.159 65.286 59.916 -99.200 -91.000 HIS 92 0.900 25.732 63.605 65.751 -99.200 -91.000 PHE 96 1.000 12.015 60.255 61.567 -99.200 -91.000 HIS 97 0.900 15.730 54.744 54.668 -99.200 -91.000 PHE 121 1.000 7.869 61.312 59.399 -99.200 -91.000 PHE 129 1.000 8.177 53.162 55.889 -99.200 -91.000 TYR 131 0.840 15.241 56.273 64.092 -99.200 -91.000 HIS 132 0.900 20.286 56.809 57.211 -99.200 -91.000 TRP 141 1.040 33.103 57.706 61.334 -99.200 -91.000 TRP6 141 1.020 33.342 59.786 62.435 -99.200 -91.000 HIS 142 0.900 27.916 61.461 61.917 -99.200 -91.000 HIS 160 0.900 -6.611 43.419 58.387 -99.200 -91.000 TYR 169 0.840 2.037 43.460 67.184 -99.200 -91.000 TYR 173 0.840 10.862 40.450 72.478 -99.200 -91.000 TYR 174 0.840 14.421 48.301 66.073 -99.200 -91.000 PHE 180 1.000 29.047 48.690 66.168 -99.200 -91.000 TYR 181 0.840 32.000 48.108 58.303 -99.200 -91.000 TYR 190 0.840 38.531 43.699 66.980 -99.200 -91.000 TYR 193 0.840 41.223 54.536 67.078 -99.200 -91.000 TYR 200 0.840 36.519 60.174 58.603 -99.200 -91.000 HIS 214 0.900 33.563 43.503 66.657 -99.200 -91.000 PHE 217 1.000 20.871 39.868 65.470 -99.200 -91.000 HIS 242 0.900 16.993 41.474 61.829 -99.200 -91.000 HIS 252 0.900 16.569 29.793 59.809 -99.200 -91.000 HIS 257 0.900 9.298 26.796 60.062 -99.200 -91.000 TYR 260 0.840 0.525 34.878 58.373 -99.200 -91.000 TRP 262 1.040 3.669 42.280 56.041 -99.200 -91.000 TRP6 262 1.020 3.155 41.310 58.134 -99.200 -91.000 PHE 267 1.000 3.446 46.569 58.522 -99.200 -91.000 TRP 278 1.040 12.718 37.265 57.839 -99.200 -91.000 TRP6 278 1.020 12.320 35.329 59.150 -99.200 -91.000 PHE 279 1.000 18.858 39.967 50.973 -99.200 -91.000 PHE 289 1.000 1.432 37.431 63.675 -99.200 -91.000 TYR 290 0.840 7.244 30.499 64.621 -99.200 -91.000 PHE 292 1.000 8.497 31.742 69.417 -99.200 -91.000 TYR 298 0.840 12.087 28.239 69.334 -99.200 -91.000 TYR 300 0.840 15.589 37.085 64.668 -99.200 -91.000 HIS 303 0.900 21.107 29.831 58.207 -99.200 -91.000 PHE 309 1.000 25.422 30.405 65.358 -99.200 -91.000 HIS 316 0.900 21.112 32.331 72.828 -99.200 -91.000 PHE 317 1.000 12.420 35.267 70.177 -99.200 -91.000 TRP 323 1.040 8.847 17.857 72.367 -99.200 -91.000 TRP6 323 1.020 10.366 19.328 71.288 -99.200 -91.000