============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 35.810 7.992 9.324 -99.200 -91.000 TRP6 14 1.020 33.799 9.190 9.633 -99.200 -91.000 TRP 35 1.040 47.436 18.484 10.325 -99.200 -91.000 TRP6 35 1.020 49.769 18.229 10.516 -99.200 -91.000 HIS 41 0.900 52.410 -1.596 12.294 -99.200 -91.000 PHE 43 1.000 54.223 5.466 7.885 -99.200 -91.000 TRP 49 1.040 61.312 8.016 4.185 -99.200 -91.000 TRP6 49 1.020 59.836 7.943 6.032 -99.200 -91.000 HIS 59 0.900 33.519 1.557 -2.008 -99.200 -91.000 HIS 64 0.900 41.016 2.428 -11.679 -99.200 -91.000 TYR 82 0.840 57.480 2.638 16.194 -99.200 -91.000 HIS 89 0.900 54.890 5.296 23.447 -99.200 -91.000 HIS 97 0.900 53.911 19.363 -1.735 -99.200 -91.000 HIS 105 0.900 31.271 10.224 -2.413 -99.200 -91.000 PHE 116 1.000 33.025 12.694 23.980 -99.200 -91.000 PHE 123 1.000 34.250 3.574 30.830 -99.200 -91.000 PHE 126 1.000 29.398 -4.397 19.797 -99.200 -91.000 TRP 132 1.040 40.375 -0.636 0.415 -99.200 -91.000 TRP6 132 1.020 40.697 1.548 1.245 -99.200 -91.000 TYR 173 0.840 51.491 5.254 26.426 -99.200 -91.000 PHE 175 1.000 41.187 0.603 21.964 -99.200 -91.000 TYR 179 0.840 33.119 -9.971 18.165 -99.200 -91.000 HIS 195 0.900 38.082 1.113 18.320 -99.200 -91.000 HIS 198 0.900 26.652 6.983 16.988 -99.200 -91.000 TYR 199 0.840 28.316 10.053 23.928 -99.200 -91.000 TRP 203 1.040 30.006 8.011 13.428 -99.200 -91.000 TRP6 203 1.020 30.012 5.678 13.786 -99.200 -91.000 TYR 204 0.840 33.137 12.350 19.220 -99.200 -91.000 TRP 211 1.040 50.137 -4.998 19.229 -99.200 -91.000 TRP6 211 1.020 50.138 -6.856 20.687 -99.200 -91.000 HIS 220 0.900 46.002 -15.309 21.421 -99.200 -91.000 PHE 221 1.000 39.546 -10.647 23.422 -99.200 -91.000 TYR 224 0.840 41.747 -2.454 17.046 -99.200 -91.000 TYR 230 0.840 50.202 7.646 21.800 -99.200 -91.000 TRP 233 1.040 53.294 13.415 20.374 -99.200 -91.000 TRP6 233 1.020 53.122 12.264 18.328 -99.200 -91.000 PHE 252 1.000 53.360 10.293 24.127 -99.200 -91.000