============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 6 1.000 21.132 10.839 39.160 -99.200 -91.000 TYR 7 0.840 16.405 10.390 37.687 -99.200 -91.000 HIS 40 0.900 11.009 22.324 43.058 -99.200 -91.000 PHE 41 1.000 7.953 28.860 48.273 -99.200 -91.000 HIS 42 0.900 4.586 26.017 50.942 -99.200 -91.000 PHE 45 1.000 12.136 29.322 50.359 -99.200 -91.000 PHE 61 1.000 8.611 11.530 60.060 -99.200 -91.000 PHE 68 1.000 0.918 27.625 62.540 -99.200 -91.000 PHE 77 1.000 0.513 17.349 49.699 -99.200 -91.000 TRP 117 1.040 14.636 24.896 33.769 -99.200 -91.000 TRP6 117 1.020 12.467 25.645 34.343 -99.200 -91.000 PHE 130 1.000 13.765 17.635 58.272 -99.200 -91.000 PHE 142 1.000 1.635 36.774 58.623 -99.200 -91.000 PHE 143 1.000 7.286 36.188 57.072 -99.200 -91.000 PHE 152 1.000 12.440 33.865 48.606 -99.200 -91.000 HIS 170 0.900 2.635 34.522 44.928 -99.200 -91.000 PHE 172 1.000 1.213 28.974 37.794 -99.200 -91.000 PHE 179 1.000 -4.049 32.546 53.851 -99.200 -91.000 TYR 185 0.840 -13.143 44.257 54.173 -99.200 -91.000 PHE 187 1.000 -1.090 46.361 55.586 -99.200 -91.000 TYR 201 0.840 -6.860 43.526 42.296 -99.200 -91.000 PHE 221 1.000 -1.212 34.198 44.996 -99.200 -91.000 PHE 229 1.000 5.688 31.105 35.340 -99.200 -91.000 TYR 233 0.840 3.860 38.589 40.938 -99.200 -91.000 TYR 234 0.840 7.569 39.671 38.029 -99.200 -91.000 PHE 251 1.000 6.426 49.434 41.609 -99.200 -91.000 PHE 266 1.000 12.707 39.656 37.006 -99.200 -91.000 PHE 273 1.000 8.610 35.824 35.105 -99.200 -91.000 PHE 274 1.000 8.482 33.088 30.236 -99.200 -91.000 PHE 277 1.000 9.710 30.626 37.607 -99.200 -91.000