============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 1 1.000 127.762 54.424 -19.419 -99.200 -91.000 TYR 8 0.840 127.069 48.077 -36.562 -99.200 -91.000 TYR 10 0.840 132.663 54.823 -37.193 -99.200 -91.000 PHE 21 1.000 143.445 37.943 -26.962 -99.200 -91.000 PHE 41 1.000 121.712 23.830 8.060 -99.200 -91.000 TRP 73 1.040 134.038 21.748 4.851 -99.200 -91.000 TRP6 73 1.020 132.809 21.579 6.875 -99.200 -91.000 PHE 84 1.000 123.320 29.592 10.370 -99.200 -91.000 TYR 100 0.840 121.002 32.990 28.624 -99.200 -91.000 PHE 117 1.000 140.247 21.964 11.623 -99.200 -91.000 PHE 131 1.000 119.414 28.635 20.730 -99.200 -91.000 HIS 134 0.900 108.325 32.234 20.401 -99.200 -91.000 TYR 145 0.840 105.788 43.591 18.259 -99.200 -91.000 HIS 162 0.900 126.929 32.872 20.033 -99.200 -91.000 HIS 192 0.900 134.749 38.985 25.086 -99.200 -91.000 TYR 200 0.840 122.453 36.970 9.225 -99.200 -91.000 TYR 203 0.840 114.774 42.793 1.632 -99.200 -91.000 TYR 207 0.840 113.244 32.843 -3.042 -99.200 -91.000 TYR 208 0.840 114.755 33.869 5.130 -99.200 -91.000 PHE 211 1.000 118.478 28.514 8.856 -99.200 -91.000 TYR 229 0.840 110.940 38.986 13.631 -99.200 -91.000 HIS 241 0.900 116.400 55.612 5.312 -99.200 -91.000 TYR 261 0.840 115.161 40.027 -1.462 -99.200 -91.000 PHE 272 1.000 124.887 52.810 3.450 -99.200 -91.000 PHE 277 1.000 131.235 39.690 4.412 -99.200 -91.000 TYR 279 0.840 122.988 32.476 4.853 -99.200 -91.000 TYR 285 0.840 122.461 23.288 -1.627 -99.200 -91.000 HIS 288 0.900 120.699 28.214 -8.296 -99.200 -91.000 TRP 296 1.040 114.312 19.313 -15.291 -99.200 -91.000 TRP6 296 1.020 112.675 19.937 -13.709 -99.200 -91.000 PHE 309 1.000 124.916 35.521 -4.492 -99.200 -91.000 TYR 320 0.840 122.951 26.794 3.293 -99.200 -91.000 PHE 321 1.000 124.889 25.209 -4.859 -99.200 -91.000