============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. TYR 8 0.840 -15.333 -2.354 20.535 -99.200 -91.000 HIS 18 0.900 -8.184 -9.756 39.196 -99.200 -91.000 TRP 20 1.040 -9.964 -2.347 35.510 -99.200 -91.000 TRP6 20 1.020 -9.646 -0.817 33.719 -99.200 -91.000 PHE 42 1.000 -9.576 4.524 21.374 -99.200 -91.000 TYR 54 0.840 -16.556 -0.507 43.285 -99.200 -91.000 HIS 60 0.900 -4.146 5.464 34.623 -99.200 -91.000 PHE 63 1.000 -9.907 -1.618 23.781 -99.200 -91.000 TYR 66 0.840 -4.395 -6.135 16.741 -99.200 -91.000 PHE 71 1.000 -0.860 -11.674 19.368 -99.200 -91.000 TYR 74 0.840 2.855 -6.654 22.660 -99.200 -91.000 TYR 80 0.840 12.324 -13.792 25.932 -99.200 -91.000 PHE 90 1.000 -9.821 -5.760 21.924 -99.200 -91.000 TRP 98 1.040 -0.929 4.356 31.159 -99.200 -91.000 TRP6 98 1.020 -1.435 5.155 28.988 -99.200 -91.000 TYR 100 0.840 0.765 4.995 35.387 -99.200 -91.000 PHE 125 1.000 15.698 -5.276 20.925 -99.200 -91.000 HIS 126 0.900 20.806 -4.349 18.697 -99.200 -91.000 HIS 133 0.900 14.708 -21.762 21.101 -99.200 -91.000 HIS 137 0.900 7.767 -19.222 13.660 -99.200 -91.000 TRP 138 1.040 9.753 -15.130 14.790 -99.200 -91.000 TRP6 138 1.020 10.361 -13.774 16.632 -99.200 -91.000 PHE 145 1.000 20.934 -8.611 2.545 -99.200 -91.000 TRP 151 1.040 8.362 -1.999 1.949 -99.200 -91.000 TRP6 151 1.020 9.179 -1.201 4.012 -99.200 -91.000 TYR 158 0.840 3.143 2.786 -6.123 -99.200 -91.000 TYR 171 0.840 17.337 9.491 -5.476 -99.200 -91.000 HIS 176 0.900 19.620 -2.456 -9.364 -99.200 -91.000 PHE 178 1.000 22.841 -0.060 1.183 -99.200 -91.000 PHE 181 1.000 29.578 -0.957 -0.106 -99.200 -91.000 TYR 185 0.840 30.845 -2.174 5.056 -99.200 -91.000 PHE 197 1.000 13.263 -9.743 16.854 -99.200 -91.000 HIS 199 0.900 11.873 -0.821 17.653 -99.200 -91.000 PHE 219 1.000 9.403 -4.457 20.272 -99.200 -91.000 TYR 221 0.840 7.317 -0.916 9.635 -99.200 -91.000 TYR 224 0.840 16.658 -13.293 14.086 -99.200 -91.000 PHE 226 1.000 23.438 -7.190 7.461 -99.200 -91.000 PHE 234 1.000 19.114 6.937 19.194 -99.200 -91.000 PHE 235 1.000 24.635 6.647 16.022 -99.200 -91.000 TYR 242 0.840 9.286 11.092 12.380 -99.200 -91.000 TYR 244 0.840 5.734 22.242 12.363 -99.200 -91.000 TYR 247 0.840 2.605 20.387 4.013 -99.200 -91.000 PHE 249 1.000 0.084 17.789 9.997 -99.200 -91.000 PHE 250 1.000 8.609 15.737 6.955 -99.200 -91.000 TYR 257 0.840 24.283 11.827 11.985 -99.200 -91.000 TYR 260 0.840 34.493 11.144 15.569 -99.200 -91.000 PHE 266 1.000 23.744 4.583 20.858 -99.200 -91.000 TYR 270 0.840 25.209 -1.883 20.571 -99.200 -91.000 TYR 274 0.840 26.098 -7.462 20.286 -99.200 -91.000 PHE 289 1.000 29.417 -1.244 16.433 -99.200 -91.000 HIS 301 0.900 19.082 8.606 5.078 -99.200 -91.000 TRP 304 1.040 13.154 3.762 7.366 -99.200 -91.000 TRP6 304 1.020 11.241 2.506 7.973 -99.200 -91.000 PHE 306 1.000 13.094 2.834 -3.074 -99.200 -91.000 TRP 307 1.040