============================================================================= 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. TYR 15 0.840 -1.061 -3.298 -10.689 -99.200 -91.000 TYR 20 0.840 -0.663 -7.832 -19.565 -99.200 -91.000 TYR 21 0.840 -6.776 -3.574 -14.789 -99.200 -91.000 PHE 33 1.000 -18.795 -5.276 -11.239 -99.200 -91.000 PHE 37 1.000 -12.128 -9.816 -20.637 -99.200 -91.000 TRP 45 1.040 -15.443 -16.942 -10.078 -99.200 -91.000 TRP6 45 1.020 -16.641 -18.061 -8.368 -99.200 -91.000 TYR 55 0.840 -15.347 -12.548 4.340 -99.200 -91.000 TYR 60 0.840 -9.424 -1.075 1.467 -99.200 -91.000 HIS 61 0.900 -10.609 -5.417 -5.183 -99.200 -91.000 PHE 64 1.000 -24.811 -7.117 -10.144 -99.200 -91.000 TYR 72 0.840 -30.544 -10.232 -9.082 -99.200 -91.000 HIS 74 0.900 -33.007 -15.635 -5.714 -99.200 -91.000 TYR 83 0.840 -6.074 -18.678 -4.582 -99.200 -91.000 PHE 91 1.000 -25.746 -14.066 -4.045 -99.200 -91.000 PHE 108 1.000 -23.721 -11.788 -12.242 -99.200 -91.000 PHE 119 1.000 -8.605 -14.460 -4.115 -99.200 -91.000 PHE 124 1.000 -7.627 -9.192 -11.093 -99.200 -91.000 PHE 132 1.000 -12.264 -25.784 -24.528 -99.200 -91.000 PHE 144 1.000 -15.720 -16.979 -28.005 -99.200 -91.000 PHE 158 1.000 -10.882 -17.200 -26.512 -99.200 -91.000 PHE 160 1.000 -6.852 -13.283 -23.989 -99.200 -91.000 TYR 161 0.840 -0.189 -6.367 -28.342 -99.200 -91.000 TYR 162 0.840 -2.100 -10.785 -21.637 -99.200 -91.000 HIS 181 0.900 -2.474 -4.680 -31.694 -99.200 -91.000 TYR 182 0.840 -1.213 -11.662 -36.577 -99.200 -91.000 PHE 186 1.000 -2.199 -15.981 -35.588 -99.200 -91.000 HIS 187 0.900 3.144 -24.784 -36.181 -99.200 -91.000 TYR 188 0.840 -3.509 -21.699 -36.387 -99.200 -91.000 TRP 197 1.040 -8.861 -22.472 -24.067 -99.200 -91.000 TRP6 197 1.020 -9.154 -22.758 -26.405 -99.200 -91.000 TYR 227 0.840 5.028 -13.975 -12.155 -99.200 -91.000 PHE 249 1.000 6.735 -17.332 -0.885 -99.200 -91.000 TYR 251 0.840 14.263 -20.203 -8.307 -99.200 -91.000 PHE 266 1.000 9.245 -22.088 -22.578 -99.200 -91.000 HIS 267 0.900 10.265 -29.005 -30.866 -99.200 -91.000 TYR 273 0.840 6.167 -21.261 -30.888 -99.200 -91.000 TYR 280 0.840 15.045 -15.485 -19.237 -99.200 -91.000 PHE 282 1.000 8.982 -9.072 -14.005 -99.200 -91.000 TYR 286 0.840 20.447 -2.378 -18.606 -99.200 -91.000 HIS 297 0.900 7.689 -15.869 -9.981 -99.200 -91.000 TRP 309 1.040 6.863 -27.285 -17.948 -99.200 -91.000 TRP6 309 1.020 8.756 -25.857 -17.851 -99.200 -91.000 PHE 315 1.000 4.966 -19.058 -25.241 -99.200 -91.000 PHE 319 1.000 6.901 -16.507 -29.255 -99.200 -91.000 TYR 320 0.840 -2.526 -11.399 -31.789 -99.200 -91.000 PHE 323 1.000 -5.983 -18.568 -26.046 -99.200 -91.000 PHE 332 1.000 1.345 -20.338 -28.825 -99.200 -91.000 HIS 337 0.900 5.280 -6.420 -27.754 -99.200 -91.000