============================================================================= 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 8.326 6.196 18.500 -99.200 -91.000 TRP6 14 1.020 7.016 8.081 19.197 -99.200 -91.000 PHE 19 1.000 12.603 -5.491 3.628 -99.200 -91.000 TRP 37 1.040 22.768 10.353 14.594 -99.200 -91.000 TRP6 37 1.020 24.564 8.828 14.560 -99.200 -91.000 HIS 43 0.900 19.264 -9.192 19.581 -99.200 -91.000 TYR 47 0.840 23.416 -14.076 18.858 -99.200 -91.000 TRP 49 1.040 21.119 -17.404 16.060 -99.200 -91.000 TRP6 49 1.020 19.690 -15.570 16.511 -99.200 -91.000 PHE 53 1.000 22.392 -8.998 8.756 -99.200 -91.000 HIS 65 0.900 -1.115 0.251 10.099 -99.200 -91.000 TYR 70 0.840 7.483 1.436 -1.899 -99.200 -91.000 TYR 84 0.840 29.218 5.293 14.245 -99.200 -91.000 HIS 86 0.900 28.725 -0.091 25.138 -99.200 -91.000 TYR 89 0.840 26.421 -7.275 21.222 -99.200 -91.000 TRP 91 1.040 29.763 -11.320 20.403 -99.200 -91.000 TRP6 91 1.020 30.677 -13.507 20.197 -99.200 -91.000 PHE 110 1.000 12.039 14.288 11.689 -99.200 -91.000 TYR 113 0.840 1.074 9.369 7.339 -99.200 -91.000 HIS 115 0.900 7.554 14.480 15.628 -99.200 -91.000 TYR 132 0.840 5.434 4.478 38.007 -99.200 -91.000 TRP 139 1.040 5.303 -4.078 11.218 -99.200 -91.000 TRP6 139 1.020 6.819 -2.260 11.358 -99.200 -91.000 PHE 177 1.000 13.472 -1.673 30.811 -99.200 -91.000 TYR 181 0.840 -0.076 -7.111 32.447 -99.200 -91.000 PHE 200 1.000 8.964 -0.627 28.440 -99.200 -91.000 PHE 206 1.000 6.511 14.263 36.201 -99.200 -91.000 TRP 210 1.040 3.932 9.213 23.336 -99.200 -91.000 TRP6 210 1.020 3.216 7.218 24.435 -99.200 -91.000 TYR 211 0.840 11.000 12.104 27.723 -99.200 -91.000 TRP 218 1.040 17.961 -11.097 27.179 -99.200 -91.000 TRP6 218 1.020 17.464 -12.666 28.898 -99.200 -91.000 TYR 228 0.840 8.136 -11.724 34.859 -99.200 -91.000 PHE 230 1.000 15.031 -10.589 31.673 -99.200 -91.000 TYR 231 0.840 11.400 -4.936 26.943 -99.200 -91.000 HIS 233 0.900 18.179 1.328 32.691 -99.200 -91.000 PHE 235 1.000 19.820 8.411 32.311 -99.200 -91.000 TRP 240 1.040 28.507 3.835 22.904 -99.200 -91.000 TRP6 240 1.020 26.759 3.135 21.482 -99.200 -91.000 PHE 248 1.000 32.440 8.485 15.226 -99.200 -91.000