============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 14 1.040 51.466 1.975 0.365 -99.200 -91.000 TRP6 14 1.020 53.106 2.369 -1.297 -99.200 -91.000 PHE 19 1.000 34.764 3.896 5.663 -99.200 -91.000 TRP 37 1.040 45.926 -12.759 0.159 -99.200 -91.000 TRP6 37 1.020 44.975 -13.875 2.017 -99.200 -91.000 HIS 43 0.900 44.163 -2.202 17.742 -99.200 -91.000 TYR 47 0.840 41.282 -4.465 23.051 -99.200 -91.000 TRP 49 1.040 38.557 -0.724 23.522 -99.200 -91.000 TRP6 49 1.020 39.705 0.330 21.744 -99.200 -91.000 PHE 53 1.000 33.635 -4.655 14.231 -99.200 -91.000 HIS 65 0.900 43.922 13.641 -1.273 -99.200 -91.000 TYR 70 0.840 32.233 7.445 -5.518 -99.200 -91.000 TYR 84 0.840 42.410 -16.328 6.313 -99.200 -91.000 HIS 86 0.900 50.337 -14.852 15.142 -99.200 -91.000 TYR 89 0.840 44.809 -9.526 19.002 -99.200 -91.000 TRP 91 1.040 41.850 -11.461 23.044 -99.200 -91.000 TRP6 91 1.020 40.533 -11.189 24.988 -99.200 -91.000 PHE 110 1.000 47.605 -4.422 -8.157 -99.200 -91.000 TYR 113 0.840 44.411 8.306 -8.957 -99.200 -91.000 HIS 115 0.900 51.838 -0.605 -7.838 -99.200 -91.000 TYR 132 0.840 68.936 3.715 9.275 -99.200 -91.000 TRP 139 1.040 41.603 9.406 5.368 -99.200 -91.000 TRP6 139 1.020 42.251 7.544 4.067 -99.200 -91.000 TRP 146 1.040 41.753 12.511 26.939 -99.200 -91.000 TRP6 146 1.020 42.877 10.441 27.137 -99.200 -91.000 PHE 182 1.000 58.548 -0.556 14.038 -99.200 -91.000 TYR 186 0.840 60.990 13.745 14.890 -99.200 -91.000 PHE 205 1.000 57.643 3.324 10.867 -99.200 -91.000 PHE 211 1.000 70.777 -0.528 0.858 -99.200 -91.000 TRP 215 1.040 57.788 4.397 -1.300 -99.200 -91.000 TRP6 215 1.020 58.134 5.847 0.535 -99.200 -91.000 TYR 216 0.840 61.175 -3.413 0.451 -99.200 -91.000 TRP 223 1.040 51.091 -1.180 21.810 -99.200 -91.000 TRP6 223 1.020 52.136 -0.258 23.723 -99.200 -91.000 TYR 233 0.840 59.704 7.678 22.610 -99.200 -91.000 PHE 235 1.000 55.710 0.900 22.295 -99.200 -91.000 TYR 236 0.840 54.292 2.816 14.501 -99.200 -91.000 HIS 238 0.900 60.240 -6.339 13.717 -99.200 -91.000 PHE 240 1.000 62.512 -10.325 8.432 -99.200 -91.000 TRP 245 1.040 49.846 -15.816 11.018 -99.200 -91.000 TRP6 245 1.020 48.656 -13.847 10.463 -99.200 -91.000 PHE 253 1.000 43.838 -20.779 5.174 -99.200 -91.000