============================================================================= 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. TRP 12 1.040 2.980 17.002 13.257 -99.200 -91.000 TRP6 12 1.020 2.977 18.182 11.207 -99.200 -91.000 TYR 20 0.840 20.974 9.347 26.456 -99.200 -91.000 TRP 26 1.040 15.622 2.008 26.266 -99.200 -91.000 TRP6 26 1.020 17.343 1.717 24.674 -99.200 -91.000 HIS 28 0.900 13.397 12.976 22.519 -99.200 -91.000 TRP 39 1.040 17.829 2.339 5.524 -99.200 -91.000 TRP6 39 1.020 20.063 2.747 6.185 -99.200 -91.000 HIS 45 0.900 23.174 17.982 16.478 -99.200 -91.000 PHE 53 1.000 22.484 7.156 20.033 -99.200 -91.000 HIS 60 0.900 0.683 13.144 21.488 -99.200 -91.000 TYR 71 0.840 8.532 1.471 22.865 -99.200 -91.000 HIS 80 0.900 27.858 14.439 3.936 -99.200 -91.000 TYR 82 0.840 33.230 16.895 2.295 -99.200 -91.000 TRP 83 1.040 29.020 15.572 12.236 -99.200 -91.000 TRP6 83 1.020 28.033 17.674 12.693 -99.200 -91.000 TYR 91 0.840 28.984 19.029 3.912 -99.200 -91.000 TYR 107 0.840 -1.935 4.178 15.481 -99.200 -91.000 TYR 127 0.840 2.295 24.315 11.452 -99.200 -91.000 TRP 131 1.040 7.883 13.895 22.252 -99.200 -91.000 TRP6 131 1.020 8.237 12.728 20.224 -99.200 -91.000 TYR 148 0.840 3.247 29.292 10.167 -99.200 -91.000 TYR 154 0.840 22.748 31.936 1.548 -99.200 -91.000 TYR 160 0.840 17.391 38.013 10.163 -99.200 -91.000 TRP 161 1.040 21.450 31.985 12.489 -99.200 -91.000 TRP6 161 1.020 22.761 31.249 14.312 -99.200 -91.000 HIS 190 0.900 6.797 17.588 9.983 -99.200 -91.000 TYR 197 0.840 1.769 20.511 6.460 -99.200 -91.000 HIS 200 0.900 10.505 21.324 1.804 -99.200 -91.000 PHE 205 1.000 23.388 26.181 13.327 -99.200 -91.000 PHE 220 1.000 14.601 23.736 11.294 -99.200 -91.000 TYR 226 0.840 23.139 17.331 2.946 -99.200 -91.000 TRP 229 1.040 25.258 11.197 2.257 -99.200 -91.000 TRP6 229 1.020 24.029 10.900 4.255 -99.200 -91.000