============================================================================= 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 8.390 6.175 18.455 -99.200 -91.000 TRP6 14 1.020 7.111 7.987 19.214 -99.200 -91.000 PHE 19 1.000 12.478 -5.390 3.150 -99.200 -91.000 TRP 37 1.040 22.785 10.230 14.171 -99.200 -91.000 TRP6 37 1.020 24.695 8.893 14.133 -99.200 -91.000 HIS 43 0.900 19.447 -9.079 19.528 -99.200 -91.000 TYR 47 0.840 23.768 -14.388 18.754 -99.200 -91.000 TRP 49 1.040 22.262 -18.143 16.102 -99.200 -91.000 TRP6 49 1.020 20.342 -16.894 16.552 -99.200 -91.000 PHE 53 1.000 22.379 -9.247 8.508 -99.200 -91.000 HIS 65 0.900 -0.958 0.575 10.384 -99.200 -91.000 TYR 70 0.840 7.403 1.571 -1.979 -99.200 -91.000 TYR 84 0.840 28.948 4.965 14.173 -99.200 -91.000 HIS 86 0.900 28.859 -0.016 24.649 -99.200 -91.000 TYR 89 0.840 26.305 -7.480 20.802 -99.200 -91.000 TRP 91 1.040 29.880 -11.062 20.369 -99.200 -91.000 TRP6 91 1.020 30.904 -13.157 20.089 -99.200 -91.000 PHE 110 1.000 12.166 14.625 11.714 -99.200 -91.000 TYR 113 0.840 1.245 9.165 7.690 -99.200 -91.000 HIS 115 0.900 7.772 14.428 15.516 -99.200 -91.000 TYR 132 0.840 5.632 4.276 37.860 -99.200 -91.000 TRP 139 1.040 5.291 -3.795 11.249 -99.200 -91.000 TRP6 139 1.020 6.928 -2.103 11.329 -99.200 -91.000 PHE 177 1.000 13.499 -1.483 30.660 -99.200 -91.000 TYR 181 0.840 0.537 -7.119 32.227 -99.200 -91.000 PHE 200 1.000 9.315 -0.734 28.023 -99.200 -91.000 PHE 206 1.000 6.741 13.850 36.073 -99.200 -91.000 TRP 210 1.040 4.290 9.147 23.264 -99.200 -91.000 TRP6 210 1.020 3.491 7.226 24.321 -99.200 -91.000 TYR 211 0.840 11.250 11.960 27.682 -99.200 -91.000 TRP 218 1.040 18.327 -10.747 27.100 -99.200 -91.000 TRP6 218 1.020 17.716 -12.342 28.705 -99.200 -91.000 TYR 228 0.840 8.565 -11.944 34.762 -99.200 -91.000 PHE 230 1.000 15.487 -10.361 31.565 -99.200 -91.000 TYR 231 0.840 11.708 -4.891 26.851 -99.200 -91.000 HIS 233 0.900 18.545 1.446 32.373 -99.200 -91.000 PHE 235 1.000 20.187 8.335 32.339 -99.200 -91.000 TRP 240 1.040 28.533 3.844 22.457 -99.200 -91.000 TRP6 240 1.020 26.859 3.113 21.013 -99.200 -91.000 PHE 248 1.000 32.321 8.317 15.097 -99.200 -91.000