============================================================================= 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 21.245 22.696 19.476 -99.200 -91.000 TYR 7 0.840 16.613 23.146 20.980 -99.200 -91.000 HIS 40 0.900 11.130 11.212 15.545 -99.200 -91.000 PHE 41 1.000 7.992 4.689 10.282 -99.200 -91.000 HIS 42 0.900 4.704 7.514 7.716 -99.200 -91.000 PHE 45 1.000 12.253 4.231 8.222 -99.200 -91.000 PHE 61 1.000 8.764 22.242 -1.550 -99.200 -91.000 PHE 68 1.000 1.267 6.131 -4.187 -99.200 -91.000 PHE 77 1.000 0.729 16.376 8.889 -99.200 -91.000 TRP 117 1.040 14.600 8.635 24.770 -99.200 -91.000 TRP6 117 1.020 12.433 7.872 24.203 -99.200 -91.000 PHE 130 1.000 13.872 16.039 0.417 -99.200 -91.000 PHE 142 1.000 1.895 -3.319 -0.249 -99.200 -91.000 PHE 143 1.000 7.349 -2.549 1.521 -99.200 -91.000 PHE 152 1.000 12.485 -0.294 9.885 -99.200 -91.000 HIS 170 0.900 2.695 -0.732 13.495 -99.200 -91.000 PHE 172 1.000 1.192 4.629 20.872 -99.200 -91.000 PHE 179 1.000 -3.551 1.014 4.942 -99.200 -91.000 TYR 185 0.840 -13.093 -10.720 4.331 -99.200 -91.000 PHE 187 1.000 -1.216 -12.908 2.977 -99.200 -91.000 TYR 201 0.840 -6.837 -9.955 16.229 -99.200 -91.000 PHE 221 1.000 -1.292 -0.737 13.512 -99.200 -91.000 PHE 229 1.000 5.728 2.611 23.345 -99.200 -91.000 TYR 233 0.840 3.948 -5.049 17.547 -99.200 -91.000 TYR 234 0.840 7.584 -6.193 20.580 -99.200 -91.000 PHE 251 1.000 6.333 -15.919 17.055 -99.200 -91.000 PHE 266 1.000 12.785 -6.205 21.664 -99.200 -91.000 PHE 273 1.000 8.699 -2.334 23.291 -99.200 -91.000 PHE 274 1.000 8.433 0.393 28.265 -99.200 -91.000 PHE 277 1.000 9.782 2.887 21.000 -99.200 -91.000