============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 20 0.900 20.683 16.527 58.981 -99.200 -91.000 PHE 39 1.000 16.575 48.219 69.440 -99.200 -91.000 HIS 50 0.900 14.001 42.719 49.737 -99.200 -91.000 TYR 54 0.840 8.563 35.873 56.204 -99.200 -91.000 TYR 57 0.840 6.019 44.052 58.782 -99.200 -91.000 TYR 78 0.840 28.983 57.900 58.704 -99.200 -91.000 HIS 131 0.900 25.271 31.727 70.491 -99.200 -91.000 HIS 136 0.900 21.970 23.039 58.225 -99.200 -91.000 PHE 149 1.000 12.813 35.511 50.810 -99.200 -91.000 TRP 162 1.040 13.232 34.773 72.492 -99.200 -91.000 TRP6 162 1.020 14.233 36.408 71.136 -99.200 -91.000 TRP 187 1.040 -0.154 31.904 41.033 -99.200 -91.000 TRP6 187 1.020 1.324 33.197 42.348 -99.200 -91.000 PHE 200 1.000 3.475 49.060 38.801 -99.200 -91.000 PHE 218 1.000 8.988 40.202 36.385 -99.200 -91.000 HIS 225 0.900 10.494 49.091 37.034 -99.200 -91.000 TYR 229 0.840 4.521 50.922 44.332 -99.200 -91.000 HIS 236 0.900 -3.061 57.097 49.156 -99.200 -91.000 PHE 246 1.000 4.214 48.307 32.635 -99.200 -91.000 PHE 251 1.000 3.741 38.124 46.371 -99.200 -91.000 PHE 276 1.000 -3.999 37.984 37.255 -99.200 -91.000 HIS 290 0.900 -4.568 31.410 48.119 -99.200 -91.000 HIS 295 0.900 1.872 31.284 63.203 -99.200 -91.000 PHE 307 1.000 7.284 36.557 41.983 -99.200 -91.000 TYR 308 0.840 11.463 32.538 45.038 -99.200 -91.000 PHE 313 1.000 7.056 36.504 31.729 -99.200 -91.000