============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. PHE 5 1.000 9.175 -5.292 8.179 -99.200 -91.000 PHE 8 1.000 7.901 3.566 10.682 -99.200 -91.000 TYR 10 0.840 18.620 7.194 9.447 -99.200 -91.000 PHE 11 1.000 10.620 6.252 14.120 -99.200 -91.000 TYR 12 0.840 14.207 4.350 18.964 -99.200 -91.000 PHE 33 1.000 23.416 10.199 27.345 -99.200 -91.000 PHE 37 1.000 29.480 5.107 34.910 -99.200 -91.000 TYR 48 0.840 22.329 3.199 7.328 -99.200 -91.000 PHE 53 1.000 34.087 7.525 10.940 -99.200 -91.000 TYR 73 0.840 28.219 10.604 21.134 -99.200 -91.000 TYR 81 0.840 12.903 9.085 19.440 -99.200 -91.000 TYR 95 0.840 -0.982 3.614 1.179 -99.200 -91.000 TYR 108 0.840 5.687 -8.118 9.695 -99.200 -91.000 TYR 118 0.840 5.730 -11.380 -5.178 -99.200 -91.000 TYR 122 0.840 9.783 -1.975 -7.079 -99.200 -91.000 PHE 150 1.000 11.598 -16.745 3.429 -99.200 -91.000 PHE 210 1.000 10.682 -30.765 16.838 -99.200 -91.000 TYR 224 0.840 10.518 -18.267 13.259 -99.200 -91.000 TYR 233 0.840 6.070 -17.843 9.209 -99.200 -91.000 TYR 264 0.840 10.055 8.908 38.322 -99.200 -91.000 PHE 266 1.000 -0.515 10.359 36.671 -99.200 -91.000 TYR 273 0.840 -4.618 3.298 28.137 -99.200 -91.000 TYR 274 0.840 3.363 4.392 20.506 -99.200 -91.000 HIS 285 0.900 -3.582 -7.049 38.116 -99.200 -91.000 PHE 302 1.000 -11.900 -0.239 36.650 -99.200 -91.000 HIS 304 0.900 -16.400 0.259 33.127 -99.200 -91.000 TYR 312 0.840 -2.833 9.742 32.624 -99.200 -91.000 PHE 337 1.000 -3.387 -0.362 31.426 -99.200 -91.000 PHE 340 1.000 -5.161 -6.698 26.194 -99.200 -91.000