============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 5 0.840 -32.851 4.536 -5.092 -99.200 -91.000 TYR 11 0.840 -40.613 5.407 -9.085 -99.200 -91.000 HIS 29 0.900 -30.166 1.587 -9.172 -99.200 -91.000 PHE 35 1.000 -19.929 -2.083 -13.392 -99.200 -91.000 TYR 66 0.840 -17.391 -3.426 -7.036 -99.200 -91.000 TYR 68 0.840 -19.802 -7.799 -4.025 -99.200 -91.000 HIS 70 0.900 -25.075 0.488 -9.862 -99.200 -91.000 TYR 76 0.840 -28.749 -1.928 2.631 -99.200 -91.000 TYR 83 0.840 -41.022 -4.106 -4.042 -99.200 -91.000 TRP 94 1.040 -20.566 -11.544 -21.112 -99.200 -91.000 TRP6 94 1.020 -20.385 -9.195 -20.903 -99.200 -91.000 HIS 107 0.900 -23.358 -10.036 -10.323 -99.200 -91.000 PHE 114 1.000 -44.021 -8.321 -6.547 -99.200 -91.000 TYR 121 0.840 -41.363 -11.238 -10.789 -99.200 -91.000 PHE 127 1.000 -22.825 -9.521 -15.555 -99.200 -91.000 TYR 151 0.840 -30.920 -10.026 -19.823 -99.200 -91.000 TRP 170 1.040 -30.418 -17.970 -26.442 -99.200 -91.000 TRP6 170 1.020 -31.558 -16.539 -24.944 -99.200 -91.000 TYR 174 0.840 -25.630 -13.006 -13.068 -99.200 -91.000 PHE 176 1.000 -28.952 -16.700 -9.895 -99.200 -91.000 TRP 191 1.040 -10.166 -7.012 1.241 -99.200 -91.000 TRP6 191 1.020 -9.666 -4.782 1.853 -99.200 -91.000 PHE 192 1.000 -10.261 -12.421 -5.097 -99.200 -91.000 HIS 196 0.900 -5.773 -11.200 -6.038 -99.200 -91.000 HIS 200 0.900 -10.462 -9.464 -15.419 -99.200 -91.000 PHE 201 1.000 -15.064 -5.185 -11.867 -99.200 -91.000 TRP 216 1.040 -23.301 5.817 -24.860 -99.200 -91.000 TRP6 216 1.020 -25.475 6.151 -25.725 -99.200 -91.000 HIS 226 0.900 -22.443 -3.051 -27.486 -99.200 -91.000 PHE 250 1.000 -20.189 5.757 -19.797 -99.200 -91.000 PHE 272 1.000 -5.268 6.351 -23.680 -99.200 -91.000