============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 12 1.000 -5.007 9.188 40.243 -99.200 -91.000 TYR 17 0.840 -1.248 12.996 42.893 -99.200 -91.000 PHE 18 1.000 -4.987 15.636 41.442 -99.200 -91.000 TRP 23 1.040 1.749 13.380 46.368 -99.200 -91.000 TRP6 23 1.020 1.900 11.122 47.031 -99.200 -91.000 TYR 24 0.840 8.268 16.125 51.209 -99.200 -91.000 TYR 28 0.840 16.434 13.247 39.217 -99.200 -91.000 TYR 40 0.840 16.254 20.409 40.127 -99.200 -91.000 TYR 58 0.840 11.498 24.155 46.744 -99.200 -91.000 HIS 59 0.900 10.887 22.285 39.366 -99.200 -91.000 TYR 60 0.840 17.923 24.797 46.924 -99.200 -91.000 PHE 68 1.000 12.350 26.395 38.689 -99.200 -91.000 TYR 69 0.840 8.272 27.872 46.365 -99.200 -91.000 TYR 82 0.840 -5.213 14.639 36.127 -99.200 -91.000 PHE 86 1.000 5.120 26.008 32.927 -99.200 -91.000 TYR 104 0.840 1.671 21.704 26.671 -99.200 -91.000 TYR 105 0.840 2.916 20.369 34.999 -99.200 -91.000 PHE 107 1.000 1.729 14.977 37.865 -99.200 -91.000 TYR 111 0.840 1.575 2.120 43.189 -99.200 -91.000 HIS 120 0.900 5.524 10.819 30.870 -99.200 -91.000 HIS 124 0.900 5.065 19.698 25.652 -99.200 -91.000 TYR 134 0.840 8.919 7.401 32.816 -99.200 -91.000 PHE 160 1.000 14.147 2.855 42.617 -99.200 -91.000 PHE 163 1.000 13.022 5.794 38.040 -99.200 -91.000 TYR 173 0.840 12.018 18.997 49.933 -99.200 -91.000