============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 15 0.840 54.752 71.368 56.564 -99.200 -91.000 TRP 18 1.040 56.209 59.817 64.201 -99.200 -91.000 TRP6 18 1.020 56.495 62.167 64.226 -99.200 -91.000 TYR 31 0.840 67.728 62.194 67.769 -99.200 -91.000 PHE 54 1.000 59.639 69.000 64.413 -99.200 -91.000 TYR 65 0.840 68.744 71.171 56.802 -99.200 -91.000 TRP 66 1.040 69.821 62.248 54.407 -99.200 -91.000 TRP6 66 1.020 70.965 63.843 53.087 -99.200 -91.000 TYR 67 0.840 64.297 66.807 58.612 -99.200 -91.000 TRP 68 1.040 67.825 58.799 61.050 -99.200 -91.000 TRP6 68 1.020 69.353 60.422 60.266 -99.200 -91.000 PHE 97 1.000 44.524 47.980 50.983 -99.200 -91.000 HIS 146 0.900 34.746 56.845 48.626 -99.200 -91.000 TRP 159 1.040 45.013 62.757 51.025 -99.200 -91.000 TRP6 159 1.020 45.094 62.152 53.318 -99.200 -91.000 HIS 182 0.900 50.183 72.123 49.644 -99.200 -91.000 TYR 188 0.840 47.839 68.589 39.148 -99.200 -91.000 HIS 198 0.900 30.789 61.859 59.278 -99.200 -91.000 PHE 211 1.000 44.527 65.483 58.376 -99.200 -91.000 HIS 217 0.900 43.973 72.216 53.218 -99.200 -91.000 TRP 221 1.040 33.544 66.153 59.706 -99.200 -91.000 TRP6 221 1.020 31.698 67.147 60.805 -99.200 -91.000 PHE 235 1.000 27.243 62.126 66.916 -99.200 -91.000 TYR 257 0.840 19.380 66.748 58.367 -99.200 -91.000 TYR 271 0.840 41.765 81.101 66.414 -99.200 -91.000 PHE 282 1.000 27.391 75.536 57.308 -99.200 -91.000 TYR 295 0.840 20.817 78.060 61.070 -99.200 -91.000 TRP 299 1.040 33.419 80.776 69.518 -99.200 -91.000 TRP6 299 1.020 35.519 79.704 69.343 -99.200 -91.000