============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 3 0.840 17.662 40.060 35.951 -99.200 -91.000 HIS 13 0.900 -1.350 30.312 44.572 -99.200 -91.000 PHE 25 1.000 -9.969 17.912 47.337 -99.200 -91.000 TYR 29 0.840 -17.375 13.788 38.319 -99.200 -91.000 PHE 76 1.000 -13.147 25.317 26.583 -99.200 -91.000 TYR 77 0.840 -15.571 22.213 34.193 -99.200 -91.000 PHE 80 1.000 -6.786 29.494 31.687 -99.200 -91.000 PHE 111 1.000 8.828 25.455 20.658 -99.200 -91.000 TYR 112 0.840 4.412 28.284 25.479 -99.200 -91.000 TRP 130 1.040 0.106 -4.539 32.089 -99.200 -91.000 TRP6 130 1.020 2.032 -3.197 31.867 -99.200 -91.000 PHE 141 1.000 15.662 -7.080 24.994 -99.200 -91.000 PHE 162 1.000 21.615 1.272 47.716 -99.200 -91.000 HIS 177 0.900 1.849 11.401 59.317 -99.200 -91.000 PHE 189 1.000 1.718 22.838 54.152 -99.200 -91.000 PHE 235 1.000 4.206 -2.904 48.624 -99.200 -91.000 PHE 275 1.000 13.683 25.461 34.609 -99.200 -91.000 PHE 278 1.000 13.198 18.136 34.368 -99.200 -91.000 PHE 313 1.000 18.599 19.698 48.775 -99.200 -91.000 PHE 319 1.000 7.474 3.025 48.019 -99.200 -91.000 PHE 323 1.000 13.260 12.056 52.784 -99.200 -91.000 TYR 325 0.840 20.827 5.110 48.401 -99.200 -91.000 HIS 348 0.900 3.656 10.612 44.748 -99.200 -91.000 HIS 363 0.900 3.711 30.497 47.691 -99.200 -91.000 PHE 374 1.000 21.078 29.507 43.594 -99.200 -91.000 PHE 391 1.000 11.802 25.252 40.347 -99.200 -91.000