============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TRP 4 1.040 -10.361 0.272 -13.402 -99.200 -91.000 TRP6 4 1.020 -9.927 2.416 -12.518 -99.200 -91.000 PHE 9 1.000 -4.446 1.544 -12.710 -99.200 -91.000 PHE 20 1.000 3.540 -17.420 -15.496 -99.200 -91.000 TYR 24 0.840 6.163 -2.815 -12.559 -99.200 -91.000 PHE 33 1.000 -7.314 2.741 -2.973 -99.200 -91.000 PHE 41 1.000 5.044 -11.093 -23.075 -99.200 -91.000 HIS 52 0.900 -7.971 -22.296 -20.876 -99.200 -91.000 HIS 63 0.900 -18.190 -12.891 -8.375 -99.200 -91.000 HIS 66 0.900 -12.397 -11.802 6.055 -99.200 -91.000 TYR 73 0.840 -8.396 -2.586 -4.749 -99.200 -91.000 TYR 75 0.840 -10.440 -8.933 -14.908 -99.200 -91.000 PHE 76 1.000 -5.414 -2.408 -16.920 -99.200 -91.000 HIS 77 0.900 -7.658 -8.041 -22.659 -99.200 -91.000 TYR 83 0.840 -1.267 -4.392 -18.331 -99.200 -91.000 TYR 88 0.840 1.946 -1.296 -1.182 -99.200 -91.000 TYR 95 0.840 9.682 -13.863 2.700 -99.200 -91.000 PHE 104 1.000 5.738 -13.593 13.447 -99.200 -91.000 TYR 112 0.840 0.293 -12.162 12.505 -99.200 -91.000 TYR 122 0.840 -16.062 -13.669 2.525 -99.200 -91.000 HIS 124 0.900 -13.873 -23.526 5.220 -99.200 -91.000 HIS 130 0.900 -5.445 -26.987 -0.448 -99.200 -91.000 PHE 151 1.000 -5.065 -13.895 -8.807 -99.200 -91.000 TRP 153 1.040 -1.712 -19.546 -9.839 -99.200 -91.000 TRP6 153 1.020 -1.296 -18.427 -11.877 -99.200 -91.000 HIS 156 0.900 10.124 -18.851 -9.829 -99.200 -91.000 TYR 168 0.840 2.328 -24.347 6.161 -99.200 -91.000 HIS 179 0.900 -8.824 -31.545 -1.195 -99.200 -91.000 TRP 186 1.040 -2.399 -30.499 8.067 -99.200 -91.000 TRP6 186 1.020 -2.050 -32.370 9.461 -99.200 -91.000 TYR 193 0.840 5.501 -26.887 15.615 -99.200 -91.000 PHE 195 1.000 2.084 -17.076 11.621 -99.200 -91.000 PHE 202 1.000 3.321 -32.588 10.807 -99.200 -91.000 TYR 207 0.840 11.779 -32.203 -1.637 -99.200 -91.000 TYR 211 0.840 4.280 -38.883 1.094 -99.200 -91.000 PHE 219 1.000 2.839 -32.110 16.310 -99.200 -91.000 PHE 221 1.000 2.865 -29.171 20.534 -99.200 -91.000 PHE 224 1.000 9.875 -22.128 21.964 -99.200 -91.000 HIS 239 0.900 -4.012 -39.851 9.260 -99.200 -91.000 HIS 253 0.900 -7.960 -23.637 22.326 -99.200 -91.000 TRP 255 1.040 -2.503 -20.101 23.305 -99.200 -91.000 TRP6 255 1.020 -2.133 -19.583 21.024 -99.200 -91.000