============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 6 0.840 40.432 15.605 13.247 -99.200 -91.000 TYR 8 0.840 34.437 15.503 15.182 -99.200 -91.000 HIS 11 0.900 29.055 11.413 14.382 -99.200 -91.000 PHE 13 1.000 33.181 2.248 11.131 -99.200 -91.000 TRP 15 1.040 38.444 10.483 13.026 -99.200 -91.000 TRP6 15 1.020 37.950 11.278 15.190 -99.200 -91.000 TYR 26 0.840 44.848 11.307 12.323 -99.200 -91.000 PHE 88 1.000 41.562 29.136 30.053 -99.200 -91.000 PHE 107 1.000 47.198 17.029 36.290 -99.200 -91.000 PHE 112 1.000 35.711 27.298 28.578 -99.200 -91.000 HIS 113 0.900 37.751 20.844 23.783 -99.200 -91.000 PHE 114 1.000 31.264 25.114 25.232 -99.200 -91.000 HIS 115 0.900 33.921 17.307 21.828 -99.200 -91.000 HIS 116 0.900 29.427 22.260 18.155 -99.200 -91.000 PHE 117 1.000 23.421 21.576 17.605 -99.200 -91.000 HIS 121 0.900 33.357 10.915 28.171 -99.200 -91.000 HIS 127 0.900 25.275 10.168 22.539 -99.200 -91.000 TYR 128 0.840 23.227 13.935 29.728 -99.200 -91.000 HIS 133 0.900 35.355 16.868 26.253 -99.200 -91.000 TYR 156 0.840 26.594 22.888 29.650 -99.200 -91.000 TYR 158 0.840 18.443 20.104 23.638 -99.200 -91.000 PHE 165 1.000 30.552 30.543 29.658 -99.200 -91.000 TYR 184 0.840 28.825 33.845 12.547 -99.200 -91.000 TYR 207 0.840 35.590 13.049 39.759 -99.200 -91.000 TYR 210 0.840 37.156 7.334 30.978 -99.200 -91.000 TRP 225 1.040 38.907 11.406 29.334 -99.200 -91.000 TRP6 225 1.020 37.669 13.251 28.537 -99.200 -91.000 HIS 226 0.900 39.595 14.070 36.560 -99.200 -91.000 PHE 228 1.000 32.843 17.277 37.939 -99.200 -91.000 PHE 242 1.000 27.619 25.615 21.526 -99.200 -91.000 HIS 250 0.900 36.217 26.408 8.980 -99.200 -91.000 TYR 270 0.840 38.496 2.870 39.252 -99.200 -91.000 TYR 272 0.840 37.416 9.250 41.715 -99.200 -91.000 TYR 274 0.840 28.608 8.894 42.334 -99.200 -91.000