============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TRP 10 1.040 40.173 75.741 -23.285 -99.200 -91.000 TRP6 10 1.020 39.579 73.631 -24.121 -99.200 -91.000 PHE 17 1.000 39.456 67.835 -24.668 -99.200 -91.000 TRP 18 1.040 44.850 63.816 -20.508 -99.200 -91.000 TRP6 18 1.020 45.769 65.999 -20.371 -99.200 -91.000 PHE 31 1.000 46.257 65.657 -36.790 -99.200 -91.000 PHE 50 1.000 45.421 59.518 -24.612 -99.200 -91.000 PHE 65 1.000 55.149 76.710 -28.718 -99.200 -91.000 PHE 67 1.000 44.040 79.633 -24.544 -99.200 -91.000 HIS 101 0.900 63.995 78.969 -33.540 -99.200 -91.000 PHE 102 1.000 58.798 74.641 -32.787 -99.200 -91.000 PHE 104 1.000 56.651 67.477 -40.172 -99.200 -91.000 PHE 114 1.000 41.982 79.443 -32.737 -99.200 -91.000 PHE 142 1.000 25.207 75.164 -38.093 -99.200 -91.000 TYR 143 0.840 31.399 71.161 -32.789 -99.200 -91.000 TYR 152 0.840 15.599 73.028 -27.521 -99.200 -91.000 PHE 162 1.000 21.783 81.785 -29.151 -99.200 -91.000 PHE 163 1.000 23.738 80.786 -36.160 -99.200 -91.000 PHE 170 1.000 25.856 78.464 -32.880 -99.200 -91.000 HIS 171 0.900 29.406 86.120 -26.873 -99.200 -91.000 PHE 172 1.000 29.256 78.073 -27.839 -99.200 -91.000 HIS 186 0.900 33.154 66.391 -23.329 -99.200 -91.000 TRP 197 1.040 35.235 73.863 -21.800 -99.200 -91.000 TRP6 197 1.020 34.524 72.123 -23.240 -99.200 -91.000 TYR 198 0.840 29.440 73.957 -24.733 -99.200 -91.000 PHE 207 1.000 36.106 78.107 -39.192 -99.200 -91.000 HIS 218 0.900 40.921 87.194 -45.333 -99.200 -91.000 TYR 226 0.840 50.177 81.253 -53.187 -99.200 -91.000 TYR 243 0.840 40.902 71.755 -44.370 -99.200 -91.000 PHE 245 1.000 47.719 75.711 -42.877 -99.200 -91.000