============================================================================= 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 21.109 22.709 19.460 -99.200 -91.000 TYR 7 0.840 16.503 23.145 20.989 -99.200 -91.000 HIS 40 0.900 11.022 11.158 15.550 -99.200 -91.000 PHE 41 1.000 7.977 4.624 10.292 -99.200 -91.000 HIS 42 0.900 4.723 7.392 7.705 -99.200 -91.000 PHE 45 1.000 12.209 4.200 8.238 -99.200 -91.000 PHE 61 1.000 8.653 22.208 -1.479 -99.200 -91.000 PHE 68 1.000 1.122 6.110 -4.104 -99.200 -91.000 PHE 77 1.000 0.569 16.315 8.910 -99.200 -91.000 TRP 117 1.040 14.588 8.600 24.789 -99.200 -91.000 TRP6 117 1.020 12.421 7.835 24.224 -99.200 -91.000 PHE 130 1.000 13.734 16.058 0.362 -99.200 -91.000 PHE 142 1.000 1.817 -3.257 -0.185 -99.200 -91.000 PHE 143 1.000 7.300 -2.537 1.563 -99.200 -91.000 PHE 152 1.000 12.472 -0.318 9.911 -99.200 -91.000 HIS 170 0.900 2.646 -0.792 13.530 -99.200 -91.000 PHE 172 1.000 1.174 4.609 20.908 -99.200 -91.000 PHE 179 1.000 -3.587 0.945 4.882 -99.200 -91.000 TYR 185 0.840 -13.137 -10.759 4.358 -99.200 -91.000 PHE 187 1.000 -1.243 -12.912 3.002 -99.200 -91.000 TYR 201 0.840 -6.896 -10.010 16.260 -99.200 -91.000 PHE 221 1.000 -1.319 -0.734 13.548 -99.200 -91.000 PHE 229 1.000 5.720 2.565 23.381 -99.200 -91.000 TYR 233 0.840 3.945 -5.101 17.562 -99.200 -91.000 TYR 234 0.840 7.585 -6.230 20.574 -99.200 -91.000 PHE 251 1.000 6.292 -15.984 17.052 -99.200 -91.000 PHE 266 1.000 12.793 -6.259 21.671 -99.200 -91.000 PHE 273 1.000 8.685 -2.350 23.337 -99.200 -91.000 PHE 274 1.000 8.459 0.379 28.307 -99.200 -91.000 PHE 277 1.000 9.774 2.867 21.013 -99.200 -91.000