============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 1 1.000 -22.645 21.001 3.189 -99.200 -91.000 PHE 19 1.000 -5.956 7.453 -9.525 -99.200 -91.000 HIS 30 0.900 -1.417 -10.291 -5.257 -99.200 -91.000 HIS 31 0.900 -7.465 -5.182 -2.785 -99.200 -91.000 PHE 45 1.000 -19.904 -12.932 15.968 -99.200 -91.000 PHE 46 1.000 -20.565 -16.428 12.173 -99.200 -91.000 TYR 50 0.840 -29.088 -22.344 15.383 -99.200 -91.000 TYR 58 0.840 -33.081 -7.758 24.784 -99.200 -91.000 TYR 59 0.840 -33.167 0.843 21.661 -99.200 -91.000 HIS 61 0.900 -26.916 -1.094 31.865 -99.200 -91.000 TRP 66 1.040 -23.358 -8.593 35.025 -99.200 -91.000 TRP6 66 1.020 -22.521 -6.565 35.910 -99.200 -91.000 PHE 72 1.000 -15.182 -6.540 25.875 -99.200 -91.000 TYR 75 0.840 -8.612 -10.655 26.403 -99.200 -91.000 TYR 76 0.840 -8.332 -5.938 29.124 -99.200 -91.000 PHE 101 1.000 -19.849 6.964 23.725 -99.200 -91.000 PHE 103 1.000 -10.101 11.408 20.965 -99.200 -91.000 PHE 119 1.000 -2.622 10.844 14.464 -99.200 -91.000 TYR 120 0.840 -7.339 3.759 13.660 -99.200 -91.000 TYR 123 0.840 -6.232 6.954 17.779 -99.200 -91.000 PHE 126 1.000 -13.187 7.530 15.766 -99.200 -91.000 PHE 144 1.000 8.333 5.105 13.424 -99.200 -91.000 PHE 153 1.000 5.452 18.850 21.131 -99.200 -91.000 TYR 174 0.840 5.858 3.342 22.848 -99.200 -91.000 TYR 180 0.840 8.761 9.318 30.384 -99.200 -91.000 HIS 188 0.900 2.780 18.254 33.131 -99.200 -91.000 PHE 191 1.000 -9.162 11.575 32.969 -99.200 -91.000 TYR 198 0.840 -3.977 -3.412 15.627 -99.200 -91.000 PHE 203 1.000 4.218 -10.265 15.701 -99.200 -91.000 PHE 207 1.000 0.153 -5.171 25.557 -99.200 -91.000 PHE 227 1.000 -11.428 -12.543 20.339 -99.200 -91.000 HIS 247 0.900 -18.921 13.102 34.489 -99.200 -91.000 PHE 275 1.000 -8.861 -17.275 18.180 -99.200 -91.000 PHE 276 1.000 -7.030 -15.101 22.734 -99.200 -91.000 PHE 278 1.000 -4.287 -20.647 13.300 -99.200 -91.000 TYR 283 0.840 -2.571 -11.410 11.892 -99.200 -91.000 HIS 297 0.900 12.755 -8.751 -3.841 -99.200 -91.000 PHE 302 1.000 13.305 -3.805 6.480 -99.200 -91.000 PHE 309 1.000 -3.345 -6.791 11.414 -99.200 -91.000 TYR 310 0.840 -1.710 -2.313 10.608 -99.200 -91.000 PHE 323 1.000 5.951 2.286 -5.842 -99.200 -91.000 TRP 326 1.040 4.049 4.179 -12.482 -99.200 -91.000 TRP6 326 1.020 5.188 2.144 -12.115 -99.200 -91.000 PHE 330 1.000 4.686 -3.232 -12.194 -99.200 -91.000 PHE 343 1.000 -1.763 5.389 8.426 -99.200 -91.000 TYR 344 0.840 4.376 10.770 9.859 -99.200 -91.000 PHE 377 1.000 7.668 5.763 -9.450 -99.200 -91.000