============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 5 1.000 5.695 -61.666 -4.150 -99.200 -91.000 PHE 14 1.000 -13.040 -46.798 -1.421 -99.200 -91.000 TRP 19 1.040 -1.675 -41.882 5.714 -99.200 -91.000 TRP6 19 1.020 -2.693 -40.219 7.048 -99.200 -91.000 TRP 25 1.040 4.945 -47.191 -3.839 -99.200 -91.000 TRP6 25 1.020 6.413 -45.443 -3.291 -99.200 -91.000 TYR 27 0.840 9.914 -52.737 4.710 -99.200 -91.000 TRP 39 1.040 -7.524 -52.151 -0.977 -99.200 -91.000 TRP6 39 1.020 -8.227 -50.197 -2.065 -99.200 -91.000 TYR 44 0.840 -16.849 -48.418 0.859 -99.200 -91.000 PHE 49 1.000 -13.877 -66.139 0.184 -99.200 -91.000 PHE 53 1.000 -6.360 -50.546 -6.937 -99.200 -91.000 PHE 56 1.000 -15.237 -49.495 -5.015 -99.200 -91.000 PHE 57 1.000 -8.972 -46.180 -6.546 -99.200 -91.000 PHE 79 1.000 0.882 -62.818 -3.065 -99.200 -91.000 PHE 83 1.000 4.050 -66.122 4.715 -99.200 -91.000 PHE 84 1.000 7.978 -57.964 10.992 -99.200 -91.000 TRP 87 1.040 -1.325 -63.718 14.563 -99.200 -91.000 TRP6 87 1.020 -2.762 -63.893 12.697 -99.200 -91.000 TRP 88 1.040 0.159 -61.951 9.140 -99.200 -91.000 TRP6 88 1.020 -1.864 -62.275 7.940 -99.200 -91.000 PHE 104 1.000 -5.762 -51.649 18.021 -99.200 -91.000 PHE 114 1.000 6.465 -50.386 7.205 -99.200 -91.000 TRP 132 1.040 -1.219 -40.115 11.336 -99.200 -91.000 TRP6 132 1.020 -0.960 -37.847 10.660 -99.200 -91.000 PHE 143 1.000 -5.115 -40.031 -2.289 -99.200 -91.000 TYR 160 0.840 -14.220 -28.418 -10.954 -99.200 -91.000 HIS 163 0.900 -23.810 -28.731 -7.958 -99.200 -91.000 PHE 164 1.000 -16.876 -28.805 -6.271 -99.200 -91.000 HIS 167 0.900 -20.254 -20.972 -8.800 -99.200 -91.000 HIS 173 0.900 -15.830 -36.352 6.542 -99.200 -91.000 HIS 176 0.900 -21.004 -42.637 14.093 -99.200 -91.000 TRP 177 1.040 -32.268 -35.997 22.962 -99.200 -91.000 TRP6 177 1.020 -32.256 -37.328 21.001 -99.200 -91.000 HIS 185 0.900 -23.201 -23.100 18.530 -99.200 -91.000 TYR 198 0.840 -13.528 -18.561 0.615 -99.200 -91.000 PHE 205 1.000 -18.969 -31.652 -2.103 -99.200 -91.000 PHE 221 1.000 -24.265 -21.950 7.854 -99.200 -91.000 PHE 225 1.000 -22.166 -28.150 -4.105 -99.200 -91.000 TYR 243 0.840 -10.047 -39.267 -5.882 -99.200 -91.000 PHE 254 1.000 -17.720 -31.539 13.919 -99.200 -91.000 PHE 260 1.000 -15.006 -39.084 2.919 -99.200 -91.000 TYR 263 0.840 -6.661 -36.573 -3.328 -99.200 -91.000 PHE 274 1.000 -14.957 -26.704 16.450 -99.200 -91.000 HIS 281 0.900 -11.192 -22.185 22.621 -99.200 -91.000