============================================================================= 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 21.137 22.688 19.446 -99.200 -91.000 TYR 7 0.840 16.584 23.108 21.016 -99.200 -91.000 HIS 40 0.900 11.114 11.068 15.583 -99.200 -91.000 PHE 41 1.000 8.046 4.606 10.313 -99.200 -91.000 HIS 42 0.900 4.768 7.317 7.744 -99.200 -91.000 PHE 45 1.000 12.252 4.165 8.230 -99.200 -91.000 PHE 61 1.000 8.631 22.168 -1.392 -99.200 -91.000 PHE 68 1.000 1.106 6.019 -4.059 -99.200 -91.000 PHE 77 1.000 0.599 16.291 8.993 -99.200 -91.000 TRP 117 1.040 14.674 8.562 24.822 -99.200 -91.000 TRP6 117 1.020 12.507 7.775 24.288 -99.200 -91.000 PHE 130 1.000 13.750 16.018 0.406 -99.200 -91.000 PHE 142 1.000 1.888 -3.316 -0.163 -99.200 -91.000 PHE 143 1.000 7.351 -2.590 1.548 -99.200 -91.000 PHE 152 1.000 12.540 -0.387 9.963 -99.200 -91.000 HIS 170 0.900 2.713 -0.870 13.567 -99.200 -91.000 PHE 172 1.000 1.285 4.536 20.990 -99.200 -91.000 PHE 179 1.000 -3.480 0.922 4.914 -99.200 -91.000 TYR 185 0.840 -13.062 -10.778 4.359 -99.200 -91.000 PHE 187 1.000 -1.168 -12.941 3.004 -99.200 -91.000 TYR 201 0.840 -6.855 -10.077 16.284 -99.200 -91.000 PHE 221 1.000 -1.234 -0.768 13.622 -99.200 -91.000 PHE 229 1.000 5.780 2.508 23.445 -99.200 -91.000 TYR 233 0.840 4.003 -5.154 17.596 -99.200 -91.000 TYR 234 0.840 7.676 -6.296 20.595 -99.200 -91.000 PHE 251 1.000 6.398 -15.992 17.076 -99.200 -91.000 PHE 266 1.000 12.848 -6.338 21.715 -99.200 -91.000 PHE 273 1.000 8.757 -2.396 23.371 -99.200 -91.000 PHE 274 1.000 8.568 0.324 28.290 -99.200 -91.000 PHE 277 1.000 9.874 2.776 21.055 -99.200 -91.000