============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 8.358 6.299 18.619 -99.200 -91.000 TRP6 14 1.020 7.018 8.112 19.343 -99.200 -91.000 PHE 19 1.000 12.573 -5.507 3.275 -99.200 -91.000 TRP 37 1.040 22.915 10.283 14.389 -99.200 -91.000 TRP6 37 1.020 24.825 8.902 14.251 -99.200 -91.000 HIS 43 0.900 19.529 -9.060 19.727 -99.200 -91.000 TYR 47 0.840 23.770 -14.300 18.753 -99.200 -91.000 TRP 49 1.040 22.238 -18.135 16.553 -99.200 -91.000 TRP6 49 1.020 20.309 -16.874 17.028 -99.200 -91.000 PHE 53 1.000 22.321 -9.339 8.557 -99.200 -91.000 HIS 65 0.900 -1.051 0.612 10.200 -99.200 -91.000 TYR 70 0.840 7.409 1.674 -1.908 -99.200 -91.000 TYR 84 0.840 29.409 5.133 14.247 -99.200 -91.000 HIS 86 0.900 29.014 -0.053 24.790 -99.200 -91.000 TYR 89 0.840 26.453 -7.495 21.076 -99.200 -91.000 TRP 91 1.040 29.928 -11.145 20.431 -99.200 -91.000 TRP6 91 1.020 31.018 -13.267 20.201 -99.200 -91.000 PHE 110 1.000 12.061 14.629 11.768 -99.200 -91.000 TYR 113 0.840 1.192 9.502 7.515 -99.200 -91.000 HIS 115 0.900 7.790 14.476 15.811 -99.200 -91.000 TYR 132 0.840 5.402 4.420 38.184 -99.200 -91.000 TRP 139 1.040 5.347 -3.936 11.184 -99.200 -91.000 TRP6 139 1.020 6.891 -2.152 11.331 -99.200 -91.000 TRP 146 1.040 3.543 -19.683 12.028 -99.200 -91.000 TRP6 146 1.020 5.394 -18.479 12.846 -99.200 -91.000 PHE 178 1.000 13.661 -1.542 31.049 -99.200 -91.000 TYR 182 0.840 0.153 -7.253 32.222 -99.200 -91.000 PHE 201 1.000 9.094 -0.633 28.478 -99.200 -91.000 PHE 207 1.000 6.702 14.073 36.199 -99.200 -91.000 TRP 211 1.040 4.044 9.276 23.434 -99.200 -91.000 TRP6 211 1.020 3.295 7.251 24.445 -99.200 -91.000 TYR 212 0.840 11.122 12.010 27.842 -99.200 -91.000 TRP 219 1.040 18.327 -10.966 27.277 -99.200 -91.000 TRP6 219 1.020 17.742 -12.552 28.925 -99.200 -91.000 TYR 229 0.840 8.543 -11.954 34.799 -99.200 -91.000 PHE 231 1.000 15.299 -10.538 31.598 -99.200 -91.000 TYR 232 0.840 11.587 -4.884 27.064 -99.200 -91.000 HIS 234 0.900 18.402 1.655 32.688 -99.200 -91.000 PHE 236 1.000 20.125 8.324 32.596 -99.200 -91.000 TRP 241 1.040 28.652 3.741 22.582 -99.200 -91.000 TRP6 241 1.020 26.804 3.093 21.294 -99.200 -91.000 PHE 249 1.000 32.616 8.326 15.215 -99.200 -91.000