============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 3 0.900 -21.717 -22.049 27.405 -99.200 -91.000 TYR 7 0.840 -10.249 -13.373 33.083 -99.200 -91.000 PHE 8 1.000 -9.048 -12.678 24.445 -99.200 -91.000 HIS 9 0.900 -4.272 -10.766 30.528 -99.200 -91.000 PHE 22 1.000 -2.631 -4.803 31.818 -99.200 -91.000 TYR 27 0.840 -14.258 -10.426 24.816 -99.200 -91.000 PHE 33 1.000 -16.145 -11.876 32.545 -99.200 -91.000 PHE 36 1.000 -6.494 -1.853 35.281 -99.200 -91.000 TRP 51 1.040 -23.412 -11.985 32.411 -99.200 -91.000 TRP6 51 1.020 -21.166 -12.635 32.760 -99.200 -91.000 TYR 59 0.840 -15.369 -10.717 40.488 -99.200 -91.000 TRP 60 1.040 -16.747 -5.509 41.233 -99.200 -91.000 TRP6 60 1.020 -16.451 -6.077 38.952 -99.200 -91.000 TYR 84 0.840 14.668 -12.963 27.706 -99.200 -91.000 TYR 85 0.840 12.930 -11.681 20.860 -99.200 -91.000 HIS 93 0.900 10.154 -3.366 20.417 -99.200 -91.000 TYR 99 0.840 -5.366 -15.924 32.627 -99.200 -91.000 TYR 113 0.840 -7.483 -22.737 24.802 -99.200 -91.000 HIS 114 0.900 0.165 -18.453 30.657 -99.200 -91.000 TYR 118 0.840 8.935 -8.343 22.134 -99.200 -91.000 TYR 123 0.840 8.859 -14.924 24.539 -99.200 -91.000 TRP 133 1.040 6.232 -24.326 29.978 -99.200 -91.000 TRP6 133 1.020 4.566 -22.675 30.263 -99.200 -91.000 TRP 147 1.040 7.749 -18.612 32.928 -99.200 -91.000 TRP6 147 1.020 6.034 -18.103 31.379 -99.200 -91.000 TYR 159 0.840 -7.088 -19.321 36.736 -99.200 -91.000 TRP 167 1.040 -14.188 -18.186 40.662 -99.200 -91.000 TRP6 167 1.020 -15.351 -16.419 41.727 -99.200 -91.000 TYR 171 0.840 -17.510 -15.309 36.194 -99.200 -91.000 HIS 188 0.900 -31.520 -9.474 3.739 -99.200 -91.000 HIS 191 0.900 -30.124 -9.431 -9.258 -99.200 -91.000 HIS 192 0.900 -26.765 -5.678 -3.988 -99.200 -91.000 HIS 197 0.900 -22.346 -7.991 -20.669 -99.200 -91.000 TRP 204 1.040 -27.357 -8.804 2.896 -99.200 -91.000 TRP6 204 1.020 -26.039 -7.076 3.820 -99.200 -91.000 PHE 208 1.000 -24.138 -14.054 12.902 -99.200 -91.000 TYR 209 0.840 -23.764 -14.425 22.112 -99.200 -91.000 TRP 217 1.040 -23.688 -16.928 -2.183 -99.200 -91.000 TRP6 217 1.020 -25.930 -16.927 -2.934 -99.200 -91.000 PHE 241 1.000 -20.487 -11.212 17.429 -99.200 -91.000 TRP 244 1.040 -21.690 -8.368 3.222 -99.200 -91.000 TRP6 244 1.020 -20.192 -8.596 1.400 -99.200 -91.000 TYR 257 0.840 -24.652 -18.804 -8.965 -99.200 -91.000 HIS 260 0.900 -26.859 -24.585 0.533 -99.200 -91.000 HIS 263 0.900 -25.942 -18.767 15.103 -99.200 -91.000 TRP 274 1.040 -32.979 -12.544 -7.206 -99.200 -91.000 TRP6 274 1.020 -33.476 -10.616 -5.932 -99.200 -91.000