============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 14 0.840 11.000 32.847 22.177 -99.200 -91.000 PHE 15 1.000 10.774 25.748 17.739 -99.200 -91.000 PHE 27 1.000 4.259 14.141 17.975 -99.200 -91.000 PHE 31 1.000 5.492 23.532 25.475 -99.200 -91.000 TRP 39 1.040 -2.473 22.266 16.049 -99.200 -91.000 TRP6 39 1.020 -0.970 21.942 14.264 -99.200 -91.000 HIS 54 0.900 6.417 20.386 10.154 -99.200 -91.000 TYR 57 0.840 -0.741 9.684 18.392 -99.200 -91.000 TYR 65 0.840 -5.613 5.659 19.619 -99.200 -91.000 PHE 71 1.000 -13.877 18.227 11.119 -99.200 -91.000 TYR 76 0.840 -3.847 27.613 15.536 -99.200 -91.000 PHE 84 1.000 -8.229 10.953 13.586 -99.200 -91.000 PHE 85 1.000 -10.841 17.370 19.579 -99.200 -91.000 PHE 102 1.000 -3.401 13.415 20.688 -99.200 -91.000 PHE 113 1.000 -0.364 25.660 10.806 -99.200 -91.000 HIS 115 0.900 7.852 26.967 3.334 -99.200 -91.000 PHE 118 1.000 4.772 25.837 14.705 -99.200 -91.000 PHE 126 1.000 -8.050 31.512 31.337 -99.200 -91.000 TRP 134 1.040 -3.120 25.192 33.965 -99.200 -91.000 TRP6 134 1.020 -1.192 24.858 35.278 -99.200 -91.000 TYR 135 0.840 -8.845 24.610 31.936 -99.200 -91.000 PHE 148 1.000 0.420 28.458 32.194 -99.200 -91.000 PHE 150 1.000 5.380 30.257 28.298 -99.200 -91.000 TRP 151 1.040 14.584 33.822 30.546 -99.200 -91.000 TRP6 151 1.020 16.324 32.406 29.811 -99.200 -91.000 PHE 165 1.000 3.584 23.187 31.368 -99.200 -91.000 HIS 172 0.900 16.251 31.820 33.361 -99.200 -91.000 PHE 173 1.000 11.219 35.649 39.373 -99.200 -91.000 HIS 177 0.900 7.243 37.246 38.429 -99.200 -91.000 TYR 179 0.840 2.003 37.621 40.587 -99.200 -91.000 TYR 184 0.840 -14.461 37.752 28.191 -99.200 -91.000 TYR 186 0.840 -11.672 32.864 23.675 -99.200 -91.000 TYR 187 0.840 -7.694 35.530 23.019 -99.200 -91.000 TRP 188 1.040 -3.665 32.473 30.338 -99.200 -91.000 TRP6 188 1.020 -3.779 32.137 32.672 -99.200 -91.000 PHE 190 1.000 -2.329 41.748 31.082 -99.200 -91.000 PHE 204 1.000 -7.698 54.083 21.361 -99.200 -91.000 PHE 212 1.000 -4.544 38.144 23.411 -99.200 -91.000 HIS 232 0.900 3.146 58.466 11.412 -99.200 -91.000