============================================================================= 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 15 0.840 0.458 -3.862 -9.601 -99.200 -91.000 TYR 20 0.840 -0.292 -8.569 -18.552 -99.200 -91.000 TYR 21 0.840 -6.016 -4.765 -13.587 -99.200 -91.000 PHE 33 1.000 -18.442 -5.957 -10.329 -99.200 -91.000 PHE 37 1.000 -11.621 -10.148 -19.852 -99.200 -91.000 TRP 45 1.040 -15.222 -17.781 -9.309 -99.200 -91.000 TRP6 45 1.020 -16.712 -18.700 -7.694 -99.200 -91.000 TYR 55 0.840 -15.020 -13.904 4.706 -99.200 -91.000 TYR 60 0.840 -9.235 -2.840 2.420 -99.200 -91.000 HIS 61 0.900 -10.306 -6.828 -4.491 -99.200 -91.000 PHE 64 1.000 -24.403 -7.831 -9.449 -99.200 -91.000 TYR 72 0.840 -30.099 -10.963 -8.479 -99.200 -91.000 HIS 74 0.900 -32.437 -16.245 -5.291 -99.200 -91.000 TYR 83 0.840 -6.538 -20.229 -4.689 -99.200 -91.000 PHE 91 1.000 -25.226 -15.085 -3.692 -99.200 -91.000 PHE 108 1.000 -23.203 -12.578 -11.768 -99.200 -91.000 PHE 119 1.000 -8.111 -15.546 -4.159 -99.200 -91.000 PHE 124 1.000 -7.111 -10.131 -10.285 -99.200 -91.000 PHE 132 1.000 -12.106 -25.979 -24.326 -99.200 -91.000 PHE 144 1.000 -15.211 -17.176 -27.432 -99.200 -91.000 PHE 158 1.000 -10.674 -17.303 -25.906 -99.200 -91.000 PHE 160 1.000 -6.529 -13.645 -23.263 -99.200 -91.000 TYR 161 0.840 0.128 -6.313 -27.164 -99.200 -91.000 TYR 162 0.840 -1.893 -11.147 -20.898 -99.200 -91.000 HIS 181 0.900 -2.220 -4.428 -30.466 -99.200 -91.000 TYR 182 0.840 -1.011 -11.221 -35.770 -99.200 -91.000 PHE 186 1.000 -2.008 -15.634 -34.802 -99.200 -91.000 HIS 187 0.900 4.478 -20.579 -37.710 -99.200 -91.000 TYR 188 0.840 -3.329 -21.285 -35.793 -99.200 -91.000 TRP 197 1.040 -8.619 -22.712 -23.568 -99.200 -91.000 TRP6 197 1.020 -8.873 -22.848 -25.919 -99.200 -91.000 TYR 227 0.840 5.286 -14.938 -11.665 -99.200 -91.000 PHE 249 1.000 7.472 -16.060 0.240 -99.200 -91.000 TYR 251 0.840 14.122 -21.076 -8.313 -99.200 -91.000 PHE 266 1.000 9.454 -22.450 -22.504 -99.200 -91.000 HIS 267 0.900 10.454 -28.824 -31.111 -99.200 -91.000 TYR 273 0.840 6.131 -21.189 -30.553 -99.200 -91.000 TYR 280 0.840 15.222 -16.251 -18.895 -99.200 -91.000 PHE 282 1.000 9.388 -9.922 -13.634 -99.200 -91.000 TYR 286 0.840 20.504 -3.236 -17.186 -99.200 -91.000 HIS 297 0.900 7.859 -17.155 -9.548 -99.200 -91.000 TRP 309 1.040 7.056 -27.834 -18.249 -99.200 -91.000 TRP6 309 1.020 8.896 -26.419 -17.822 -99.200 -91.000 PHE 315 1.000 5.124 -19.243 -24.857 -99.200 -91.000 PHE 319 1.000 6.954 -16.620 -28.872 -99.200 -91.000 TYR 320 0.840 -2.333 -11.316 -30.777 -99.200 -91.000 PHE 323 1.000 -5.673 -18.912 -25.359 -99.200 -91.000 PHE 332 1.000 1.510 -20.263 -28.205 -99.200 -91.000 HIS 337 0.900 5.510 -6.608 -26.760 -99.200 -91.000