============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 2 1.000 10.928 -13.316 19.525 -99.200 -91.000 TRP 11 1.040 -4.707 -3.545 9.388 -99.200 -91.000 TRP6 11 1.020 -5.352 -4.327 11.539 -99.200 -91.000 TYR 16 0.840 0.708 1.182 3.213 -99.200 -91.000 PHE 17 1.000 5.512 -5.166 6.900 -99.200 -91.000 TYR 18 0.840 -0.462 0.600 9.691 -99.200 -91.000 TYR 31 0.840 5.448 -14.563 17.830 -99.200 -91.000 PHE 35 1.000 -0.839 -3.786 14.516 -99.200 -91.000 TYR 39 0.840 -7.940 -0.113 14.322 -99.200 -91.000 TYR 68 0.840 -3.330 15.355 0.242 -99.200 -91.000 PHE 69 1.000 -0.452 7.089 0.927 -99.200 -91.000 HIS 77 0.900 16.658 6.293 14.307 -99.200 -91.000 TYR 85 0.840 9.276 13.756 18.935 -99.200 -91.000 TYR 86 0.840 10.953 6.863 13.174 -99.200 -91.000 TRP 96 1.040 12.926 17.084 13.515 -99.200 -91.000 TRP6 96 1.020 14.243 15.291 14.358 -99.200 -91.000 TYR 97 0.840 6.872 13.340 8.772 -99.200 -91.000 TYR 116 0.840 16.349 -4.549 11.018 -99.200 -91.000