============================================================================= 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 19.078 62.391 28.958 -99.200 -91.000 HIS 23 0.900 14.327 53.210 21.812 -99.200 -91.000 HIS 25 0.900 9.906 54.454 25.397 -99.200 -91.000 PHE 38 1.000 16.429 48.562 19.251 -99.200 -91.000 HIS 57 0.900 42.907 49.904 28.830 -99.200 -91.000 PHE 61 1.000 27.364 45.215 24.189 -99.200 -91.000 HIS 73 0.900 5.609 48.416 22.895 -99.200 -91.000 TYR 77 0.840 9.452 38.070 15.573 -99.200 -91.000 HIS 92 0.900 34.570 42.955 22.563 -99.200 -91.000 PHE 96 1.000 19.962 41.424 22.825 -99.200 -91.000 HIS 97 0.900 20.810 37.996 31.721 -99.200 -91.000 PHE 121 1.000 15.950 39.218 21.686 -99.200 -91.000 PHE 129 1.000 13.502 40.025 30.117 -99.200 -91.000 TYR 131 0.840 22.442 45.480 26.064 -99.200 -91.000 HIS 132 0.900 26.086 38.927 30.275 -99.200 -91.000 TRP 141 1.040 39.115 41.462 31.594 -99.200 -91.000 TRP6 141 1.020 40.078 41.439 29.441 -99.200 -91.000 HIS 142 0.900 35.235 40.606 26.624 -99.200 -91.000 HIS 160 0.900 -2.445 47.692 32.334 -99.200 -91.000 TYR 169 0.840 7.316 54.976 31.075 -99.200 -91.000 TYR 173 0.840 15.629 60.590 33.878 -99.200 -91.000 TYR 174 0.840 20.090 51.081 31.503 -99.200 -91.000 PHE 180 1.000 34.000 50.208 35.872 -99.200 -91.000 TYR 181 0.840 35.209 43.603 40.706 -99.200 -91.000 TYR 190 0.840 42.177 52.798 42.604 -99.200 -91.000 TYR 193 0.840 47.184 47.788 33.971 -99.200 -91.000 TYR 200 0.840 42.454 37.799 31.681 -99.200 -91.000 HIS 214 0.900 37.127 52.870 41.521 -99.200 -91.000 PHE 217 1.000 23.906 54.329 40.880 -99.200 -91.000 HIS 242 0.900 19.964 50.594 39.915 -99.200 -91.000 HIS 252 0.900 16.100 54.684 50.247 -99.200 -91.000 HIS 257 0.900 8.492 56.649 50.402 -99.200 -91.000 TYR 260 0.840 1.956 51.505 41.727 -99.200 -91.000 TRP 262 1.040 6.385 45.721 37.553 -99.200 -91.000 TRP6 262 1.020 6.015 48.037 37.220 -99.200 -91.000 PHE 267 1.000 7.756 45.762 32.806 -99.200 -91.000 TRP 278 1.040 14.048 49.430 43.804 -99.200 -91.000 TRP6 278 1.020 13.409 51.527 44.712 -99.200 -91.000 PHE 279 1.000 19.177 41.863 46.681 -99.200 -91.000 PHE 289 1.000 4.490 54.840 37.477 -99.200 -91.000 TYR 290 0.840 8.362 58.900 44.573 -99.200 -91.000 PHE 292 1.000 10.715 62.379 41.667 -99.200 -91.000 TYR 298 0.840 13.174 63.777 45.711 -99.200 -91.000 TYR 300 0.840 18.025 55.245 41.790 -99.200 -91.000 HIS 303 0.900 20.085 52.998 52.442 -99.200 -91.000 PHE 309 1.000 25.790 58.748 50.050 -99.200 -91.000 HIS 316 0.900 23.467 64.432 43.690 -99.200 -91.000 PHE 317 1.000 15.692 60.806 39.679 -99.200 -91.000 TRP 323 1.040 8.004 71.693 51.779 -99.200 -91.000 TRP6 323 1.020 9.671 70.026 51.552 -99.200 -91.000