============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. HIS 3 0.900 0.441 38.607 50.953 -99.200 -91.000 TYR 4 0.840 3.749 41.097 51.146 -99.200 -91.000 TYR 22 0.840 1.263 50.983 53.952 -99.200 -91.000 TRP 28 1.040 3.229 63.641 53.741 -99.200 -91.000 TRP6 28 1.020 1.496 62.743 52.437 -99.200 -91.000 PHE 32 1.000 -0.659 72.355 58.090 -99.200 -91.000 PHE 34 1.000 10.103 73.380 61.580 -99.200 -91.000 TYR 35 0.840 3.563 76.919 56.456 -99.200 -91.000 PHE 45 1.000 14.990 83.959 54.408 -99.200 -91.000 HIS 53 0.900 17.595 92.149 46.557 -99.200 -91.000 TYR 55 0.840 14.345 88.858 37.594 -99.200 -91.000 TYR 68 0.840 12.992 63.492 39.089 -99.200 -91.000 TYR 76 0.840 -0.076 76.677 43.055 -99.200 -91.000 PHE 77 1.000 5.861 76.968 44.228 -99.200 -91.000 TYR 81 0.840 4.885 83.393 43.998 -99.200 -91.000 TRP 86 1.040 8.320 87.204 44.860 -99.200 -91.000 TRP6 86 1.020 9.951 86.492 46.415 -99.200 -91.000 PHE 88 1.000 8.617 80.890 42.846 -99.200 -91.000 TYR 103 0.840 21.389 76.444 34.684 -99.200 -91.000 PHE 115 1.000 13.472 71.649 47.224 -99.200 -91.000 TYR 139 0.840 18.465 87.709 50.184 -99.200 -91.000 HIS 156 0.900 22.958 74.299 61.814 -99.200 -91.000 PHE 175 1.000 18.879 52.554 45.452 -99.200 -91.000 PHE 180 1.000 8.685 63.715 45.230 -99.200 -91.000 PHE 189 1.000 9.275 79.480 48.068 -99.200 -91.000 PHE 194 1.000 -2.168 77.796 58.972 -99.200 -91.000 PHE 201 1.000 -1.627 67.867 56.884 -99.200 -91.000 PHE 226 1.000 3.846 45.864 34.977 -99.200 -91.000 TYR 231 0.840 3.612 56.160 36.923 -99.200 -91.000 PHE 237 1.000 -1.471 66.436 38.614 -99.200 -91.000 PHE 238 1.000 7.146 66.503 31.532 -99.200 -91.000 HIS 242 0.900 12.132 63.317 35.267 -99.200 -91.000 TYR 259 0.840 10.456 62.250 32.216 -99.200 -91.000 PHE 265 1.000 2.223 58.221 25.320 -99.200 -91.000 HIS 267 0.900 2.802 66.462 18.535 -99.200 -91.000 PHE 282 1.000 0.903 60.461 38.729 -99.200 -91.000 TYR 288 0.840 -8.099 74.663 28.083 -99.200 -91.000 TYR 292 0.840 -6.566 70.451 25.490 -99.200 -91.000 PHE 317 1.000 -15.515 62.351 33.523 -99.200 -91.000 TYR 337 0.840 -2.021 72.301 48.836 -99.200 -91.000 PHE 340 1.000 1.866 66.899 48.784 -99.200 -91.000 TYR 342 0.840 -3.606 62.392 41.146 -99.200 -91.000 TYR 345 0.840 -2.715 53.710 41.961 -99.200 -91.000 PHE 349 1.000 2.364 49.948 38.634 -99.200 -91.000 HIS 380 0.900 36.510 67.488 38.203 -99.200 -91.000 TYR 382 0.840 32.868 78.371 37.054 -99.200 -91.000