============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.648 7.208 18.238 -99.200 -91.000 TRP6 14 1.020 7.425 9.127 18.912 -99.200 -91.000 PHE 19 1.000 12.953 -4.445 2.680 -99.200 -91.000 TRP 37 1.040 23.414 11.199 13.862 -99.200 -91.000 TRP6 37 1.020 25.174 9.624 13.903 -99.200 -91.000 HIS 43 0.900 19.777 -8.600 18.900 -99.200 -91.000 TYR 47 0.840 24.289 -13.338 18.559 -99.200 -91.000 TRP 49 1.040 22.132 -16.810 16.199 -99.200 -91.000 TRP6 49 1.020 20.289 -15.368 16.637 -99.200 -91.000 PHE 53 1.000 22.508 -8.403 8.091 -99.200 -91.000 HIS 65 0.900 -0.737 1.229 9.794 -99.200 -91.000 TYR 70 0.840 7.297 2.684 -2.279 -99.200 -91.000 TYR 84 0.840 29.478 6.026 13.451 -99.200 -91.000 HIS 86 0.900 29.079 0.904 24.295 -99.200 -91.000 TYR 89 0.840 26.790 -6.501 20.464 -99.200 -91.000 TRP 91 1.040 30.407 -10.142 19.800 -99.200 -91.000 TRP6 91 1.020 31.472 -12.265 19.492 -99.200 -91.000 PHE 110 1.000 12.404 15.583 11.529 -99.200 -91.000 TYR 113 0.840 1.460 10.101 7.206 -99.200 -91.000 HIS 115 0.900 8.219 15.363 15.160 -99.200 -91.000 TYR 132 0.840 6.152 5.249 37.475 -99.200 -91.000 TRP 139 1.040 5.896 -3.152 10.690 -99.200 -91.000 TRP6 139 1.020 7.353 -1.284 10.908 -99.200 -91.000 PHE 177 1.000 13.987 -0.894 30.400 -99.200 -91.000 TYR 181 0.840 0.549 -6.416 31.756 -99.200 -91.000 PHE 200 1.000 9.592 0.025 27.926 -99.200 -91.000 PHE 206 1.000 7.047 14.663 36.036 -99.200 -91.000 TRP 210 1.040 4.550 9.968 22.986 -99.200 -91.000 TRP6 210 1.020 3.748 7.951 23.961 -99.200 -91.000 TYR 211 0.840 11.546 12.639 27.391 -99.200 -91.000 TRP 218 1.040 18.537 -10.211 26.530 -99.200 -91.000 TRP6 218 1.020 18.020 -11.900 28.125 -99.200 -91.000 TYR 228 0.840 8.770 -11.083 34.142 -99.200 -91.000 PHE 230 1.000 15.677 -9.918 30.926 -99.200 -91.000 TYR 231 0.840 11.918 -4.279 26.483 -99.200 -91.000 HIS 233 0.900 18.750 2.432 32.203 -99.200 -91.000 PHE 235 1.000 20.772 8.963 32.187 -99.200 -91.000 TRP 240 1.040 28.952 4.479 22.018 -99.200 -91.000 TRP6 240 1.020 27.082 3.887 20.691 -99.200 -91.000 PHE 248 1.000 32.762 9.181 14.287 -99.200 -91.000