============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 3 0.900 47.557 62.370 27.181 -99.200 -91.000 TYR 7 0.840 35.662 53.467 32.764 -99.200 -91.000 PHE 8 1.000 34.815 53.296 24.234 -99.200 -91.000 TYR 9 0.840 29.525 51.078 31.385 -99.200 -91.000 PHE 22 1.000 27.797 46.312 32.012 -99.200 -91.000 TYR 27 0.840 39.916 50.989 24.627 -99.200 -91.000 PHE 33 1.000 41.573 52.269 32.420 -99.200 -91.000 PHE 36 1.000 31.671 42.811 35.473 -99.200 -91.000 TRP 51 1.040 49.135 52.063 32.044 -99.200 -91.000 TRP6 51 1.020 46.932 52.799 32.499 -99.200 -91.000 TYR 59 0.840 41.088 50.941 40.107 -99.200 -91.000 TRP 60 1.040 42.382 45.913 41.046 -99.200 -91.000 TRP6 60 1.020 42.145 46.240 38.722 -99.200 -91.000 PHE 67 1.000 32.899 48.214 35.426 -99.200 -91.000 TYR 74 0.840 23.616 49.668 30.844 -99.200 -91.000 TYR 84 0.840 11.054 53.505 27.633 -99.200 -91.000 TYR 85 0.840 12.574 52.547 20.514 -99.200 -91.000 HIS 93 0.900 15.478 44.483 20.307 -99.200 -91.000 TYR 99 0.840 31.076 56.294 31.890 -99.200 -91.000 HIS 113 0.900 33.010 63.608 24.672 -99.200 -91.000 TYR 118 0.840 16.695 49.404 21.844 -99.200 -91.000 TYR 123 0.840 16.823 55.666 24.169 -99.200 -91.000 TRP 133 1.040 19.404 64.734 30.182 -99.200 -91.000 TRP6 133 1.020 21.132 63.147 30.402 -99.200 -91.000 TRP 147 1.040 17.923 58.817 32.749 -99.200 -91.000 TRP6 147 1.020 19.626 58.478 31.158 -99.200 -91.000 TYR 159 0.840 32.829 59.626 36.271 -99.200 -91.000 TRP 167 1.040 39.861 57.792 40.255 -99.200 -91.000 TRP6 167 1.020 41.355 56.183 41.114 -99.200 -91.000 TYR 171 0.840 43.159 55.407 35.765 -99.200 -91.000 HIS 188 0.900 57.537 50.109 3.718 -99.200 -91.000 HIS 191 0.900 56.350 50.368 -9.214 -99.200 -91.000 HIS 192 0.900 53.026 46.308 -4.207 -99.200 -91.000 HIS 197 0.900 47.774 50.670 -19.279 -99.200 -91.000 TRP 204 1.040 53.085 49.323 3.016 -99.200 -91.000 TRP6 204 1.020 51.679 47.816 4.175 -99.200 -91.000 PHE 208 1.000 50.054 54.561 12.807 -99.200 -91.000 TYR 209 0.840 49.510 54.881 22.040 -99.200 -91.000 TRP 217 1.040 49.653 57.595 -2.191 -99.200 -91.000 TRP6 217 1.020 51.909 57.664 -2.859 -99.200 -91.000 PHE 241 1.000 46.289 51.702 17.311 -99.200 -91.000 TRP 244 1.040 47.572 48.982 3.143 -99.200 -91.000 TRP6 244 1.020 46.122 49.255 1.292 -99.200 -91.000 TYR 257 0.840 50.753 59.697 -8.931 -99.200 -91.000 HIS 260 0.900 52.536 65.325 0.719 -99.200 -91.000 HIS 263 0.900 51.771 59.310 15.121 -99.200 -91.000 TRP 274 1.040 59.094 52.853 -6.202 -99.200 -91.000 TRP6 274 1.020 59.349 52.697 -8.542 -99.200 -91.000