============================================================================= 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. TYR 12 0.840 -7.846 10.811 6.748 -99.200 -91.000 TYR 17 0.840 0.054 14.745 11.725 -99.200 -91.000 TYR 18 0.840 -3.274 15.889 4.103 -99.200 -91.000 PHE 30 1.000 0.365 18.609 -7.977 -99.200 -91.000 PHE 34 1.000 5.940 19.754 2.958 -99.200 -91.000 TRP 42 1.040 8.839 9.780 -5.368 -99.200 -91.000 TRP6 42 1.020 9.284 8.620 -7.387 -99.200 -91.000 TYR 52 0.840 -2.172 1.960 -14.136 -99.200 -91.000 TYR 57 0.840 -12.231 8.411 -6.928 -99.200 -91.000 HIS 58 0.900 -4.664 10.221 -4.615 -99.200 -91.000 PHE 61 1.000 3.623 19.383 -13.696 -99.200 -91.000 TYR 69 0.840 7.727 19.451 -19.077 -99.200 -91.000 HIS 71 0.900 11.624 15.427 -22.497 -99.200 -91.000 TYR 80 0.840 4.991 0.932 -0.191 -99.200 -91.000 PHE 88 1.000 7.167 11.391 -17.206 -99.200 -91.000 PHE 105 1.000 7.943 17.759 -11.099 -99.200 -91.000 PHE 116 1.000 1.789 3.976 -2.926 -99.200 -91.000 PHE 121 1.000 -0.166 11.301 1.530 -99.200 -91.000 PHE 129 1.000 21.331 14.162 5.385 -99.200 -91.000 PHE 141 1.000 16.463 22.443 4.192 -99.200 -91.000 PHE 155 1.000 14.252 19.543 7.455 -99.200 -91.000 PHE 157 1.000 8.669 17.898 9.364 -99.200 -91.000 TYR 158 0.840 2.157 21.820 16.922 -99.200 -91.000 TYR 159 0.840 3.833 15.579 11.861 -99.200 -91.000 HIS 178 0.900 2.812 25.965 17.153 -99.200 -91.000 TYR 179 0.840 10.724 25.235 20.653 -99.200 -91.000 PHE 183 1.000 14.475 22.915 19.285 -99.200 -91.000 HIS 184 0.900 19.758 16.608 25.647 -99.200 -91.000 TYR 185 0.840 20.042 21.017 19.174 -99.200 -91.000 TRP 194 1.040 17.092 14.044 7.836 -99.200 -91.000 TRP6 194 1.020 18.347 15.756 8.901 -99.200 -91.000 TYR 224 0.840 0.135 3.809 12.764 -99.200 -91.000 PHE 246 1.000 -3.740 -6.502 7.624 -99.200 -91.000 TYR 248 0.840 1.316 -6.593 17.762 -99.200 -91.000 PHE 263 1.000 10.222 4.995 22.334 -99.200 -91.000 HIS 264 0.900 19.497 6.406 27.875 -99.200 -91.000 TYR 270 0.840 13.930 12.736 24.246 -99.200 -91.000 TYR 277 0.840 1.357 3.453 24.732 -99.200 -91.000 PHE 279 1.000 -4.656 5.844 16.835 -99.200 -91.000 TYR 283 0.840 -12.489 6.284 28.087 -99.200 -91.000 HIS 294 0.900 0.554 0.161 13.591 -99.200 -91.000 TRP 306 1.040 13.663 0.237 17.951 -99.200 -91.000 TRP6 306 1.020 11.636 -0.251 19.085 -99.200 -91.000 PHE 312 1.000 10.117 10.496 20.078 -99.200 -91.000 PHE 316 1.000 9.046 13.860 23.824 -99.200 -91.000 TYR 317 0.840 8.786 22.617 16.996 -99.200 -91.000 PHE 320 1.000 13.732 16.057 11.341 -99.200 -91.000 PHE 329 1.000 13.962 14.060 18.950 -99.200 -91.000 HIS 334 0.900 0.323 19.071 21.201 -99.200 -91.000