============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. HIS 3 0.900 3.277 19.792 26.944 -99.200 -91.000 TYR 7 0.840 15.017 28.496 32.382 -99.200 -91.000 PHE 8 1.000 16.094 28.811 23.877 -99.200 -91.000 TYR 9 0.840 21.514 30.700 31.187 -99.200 -91.000 PHE 22 1.000 23.361 35.524 31.668 -99.200 -91.000 TYR 27 0.840 11.002 31.006 24.394 -99.200 -91.000 PHE 33 1.000 9.180 29.717 32.206 -99.200 -91.000 PHE 36 1.000 19.462 39.015 35.039 -99.200 -91.000 TRP 51 1.040 1.821 30.051 31.914 -99.200 -91.000 TRP6 51 1.020 3.995 29.233 32.348 -99.200 -91.000 TYR 59 0.840 9.964 31.024 39.953 -99.200 -91.000 TRP 60 1.040 8.683 36.003 40.912 -99.200 -91.000 TRP6 60 1.020 8.910 35.613 38.582 -99.200 -91.000 TYR 74 0.840 27.017 31.799 31.297 -99.200 -91.000 TYR 84 0.840 39.507 28.541 27.103 -99.200 -91.000 TYR 85 0.840 37.974 29.387 20.091 -99.200 -91.000 HIS 93 0.900 35.199 37.463 19.852 -99.200 -91.000 TYR 99 0.840 19.631 25.758 31.479 -99.200 -91.000 HIS 113 0.900 17.618 18.328 24.568 -99.200 -91.000 TYR 118 0.840 33.895 32.536 21.581 -99.200 -91.000 TYR 123 0.840 33.746 26.272 23.764 -99.200 -91.000 TRP 133 1.040 31.049 17.604 29.943 -99.200 -91.000 TRP6 133 1.020 29.223 19.062 30.081 -99.200 -91.000 TRP 147 1.040 32.498 23.395 32.212 -99.200 -91.000 TRP6 147 1.020 30.832 23.626 30.529 -99.200 -91.000 TRP 156 1.040 24.932 21.482 33.653 -99.200 -91.000 TRP6 156 1.020 23.117 22.933 33.227 -99.200 -91.000 TYR 159 0.840 17.845 22.376 35.782 -99.200 -91.000 TRP 167 1.040 10.460 23.771 40.369 -99.200 -91.000 TRP6 167 1.020 9.233 25.623 41.218 -99.200 -91.000 TYR 171 0.840 7.629 26.577 35.578 -99.200 -91.000 HIS 188 0.900 -6.236 31.391 3.197 -99.200 -91.000 HIS 191 0.900 -5.068 30.774 -9.614 -99.200 -91.000 HIS 192 0.900 -1.734 35.048 -4.837 -99.200 -91.000 HIS 197 0.900 3.360 30.242 -19.648 -99.200 -91.000 TRP 204 1.040 -1.854 32.089 2.587 -99.200 -91.000 TRP6 204 1.020 -0.409 33.600 3.693 -99.200 -91.000 PHE 208 1.000 1.048 27.208 12.529 -99.200 -91.000 TYR 209 0.840 1.479 27.206 21.754 -99.200 -91.000 TRP 217 1.040 1.572 23.618 -2.255 -99.200 -91.000 TRP6 217 1.020 -0.670 23.581 -2.975 -99.200 -91.000 PHE 241 1.000 4.761 30.212 16.912 -99.200 -91.000 TRP 244 1.040 3.695 32.390 2.700 -99.200 -91.000 TRP6 244 1.020 5.164 32.043 0.859 -99.200 -91.000 TYR 257 0.840 0.444 21.432 -8.885 -99.200 -91.000 HIS 260 0.900 -1.561 16.064 0.832 -99.200 -91.000 HIS 263 0.900 -0.704 22.583 15.053 -99.200 -91.000 TRP 274 1.040 -7.848 28.527 -6.485 -99.200 -91.000 TRP6 274 1.020 -8.136 28.535 -8.829 -99.200 -91.000