============================================================================= 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. TYR 8 0.840 -5.740 14.271 22.043 -99.200 -91.000 TYR 10 0.840 -6.088 19.011 14.687 -99.200 -91.000 TYR 17 0.840 15.103 18.856 14.837 -99.200 -91.000 HIS 38 0.900 9.579 15.845 13.830 -99.200 -91.000 TYR 40 0.840 6.723 11.826 12.094 -99.200 -91.000 HIS 43 0.900 17.972 11.426 12.021 -99.200 -91.000 PHE 57 1.000 5.192 14.151 2.186 -99.200 -91.000 HIS 60 0.900 3.427 10.841 11.708 -99.200 -91.000 PHE 76 1.000 10.807 5.435 -5.874 -99.200 -91.000 TYR 81 0.840 19.484 12.346 -15.110 -99.200 -91.000 HIS 101 0.900 19.166 23.353 -15.557 -99.200 -91.000 PHE 103 1.000 10.275 16.231 -7.868 -99.200 -91.000 HIS 105 0.900 12.040 24.327 -9.019 -99.200 -91.000 HIS 107 0.900 12.143 29.450 -11.210 -99.200 -91.000 PHE 109 1.000 8.590 29.721 -3.693 -99.200 -91.000 TYR 114 0.840 24.852 21.680 -10.294 -99.200 -91.000 PHE 124 1.000 29.254 20.627 -8.539 -99.200 -91.000 PHE 130 1.000 16.441 28.046 5.349 -99.200 -91.000 PHE 135 1.000 11.983 31.137 3.851 -99.200 -91.000 HIS 147 0.900 -2.348 35.742 8.359 -99.200 -91.000 PHE 148 1.000 2.860 34.188 1.240 -99.200 -91.000 TYR 150 0.840 -4.655 31.320 -4.260 -99.200 -91.000 PHE 169 1.000 29.246 30.548 -16.576 -99.200 -91.000 TRP 172 1.040 21.948 26.532 -13.904 -99.200 -91.000 TRP6 172 1.020 22.518 24.265 -14.291 -99.200 -91.000 PHE 173 1.000 15.945 31.579 -14.889 -99.200 -91.000 PHE 186 1.000 3.473 19.793 -3.323 -99.200 -91.000 PHE 188 1.000 -0.992 30.343 -1.263 -99.200 -91.000 PHE 194 1.000 -4.757 25.010 10.379 -99.200 -91.000 TRP 209 1.040 1.501 28.736 11.619 -99.200 -91.000 TRP6 209 1.020 -0.688 28.108 10.966 -99.200 -91.000 TRP 210 1.040 6.976 29.506 3.343 -99.200 -91.000 TRP6 210 1.020 7.300 31.413 1.984 -99.200 -91.000 TYR 212 0.840 8.971 26.201 14.324 -99.200 -91.000 TRP 213 1.040 7.811 23.129 5.948 -99.200 -91.000 TRP6 213 1.020 6.461 23.683 4.082 -99.200 -91.000 PHE 214 1.000 10.089 26.605 2.624 -99.200 -91.000 PHE 219 1.000 6.340 18.386 10.476 -99.200 -91.000 TYR 221 0.840 2.409 19.731 15.706 -99.200 -91.000 HIS 222 0.900 7.012 24.413 20.121 -99.200 -91.000 TRP 225 1.040 1.000 23.641 10.472 -99.200 -91.000 TRP6 225 1.020 1.716 21.404 10.788 -99.200 -91.000 HIS 226 0.900 -4.765 21.825 13.099 -99.200 -91.000 PHE 236 1.000 -5.713 24.271 -0.695 -99.200 -91.000 PHE 272 1.000 15.612 13.582 -16.030 -99.200 -91.000 PHE 279 1.000 23.937 19.123 -15.443 -99.200 -91.000 TYR 287 0.840 19.512 24.654 7.723 -99.200 -91.000 TYR 288 0.840 23.081 20.755 12.783 -99.200 -91.000