============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 5 0.840 -9.032 13.949 -5.277 -99.200 -91.000 PHE 9 1.000 -18.764 5.448 -10.378 -99.200 -91.000 HIS 14 0.900 -13.314 -7.248 -1.019 -99.200 -91.000 PHE 23 1.000 -7.226 3.906 -8.873 -99.200 -91.000 TRP 29 1.040 -9.085 -3.918 -15.319 -99.200 -91.000 TRP6 29 1.020 -7.258 -4.639 -16.643 -99.200 -91.000 TRP 42 1.040 -13.587 -3.573 -7.019 -99.200 -91.000 TRP6 42 1.020 -15.817 -3.983 -6.341 -99.200 -91.000 TYR 45 0.840 -10.471 5.275 -16.123 -99.200 -91.000 PHE 49 1.000 -17.532 -8.442 -8.994 -99.200 -91.000 HIS 56 0.900 -3.464 -15.712 -0.804 -99.200 -91.000 TRP 65 1.040 -2.851 -3.600 -10.079 -99.200 -91.000 TRP6 65 1.020 -4.292 -4.697 -11.609 -99.200 -91.000 TRP 84 1.040 -3.720 -14.073 -7.050 -99.200 -91.000 TRP6 84 1.020 -5.044 -15.977 -6.599 -99.200 -91.000 HIS 98 0.900 8.009 -13.952 3.998 -99.200 -91.000 TYR 101 0.840 -0.564 -13.964 11.145 -99.200 -91.000 PHE 103 1.000 0.780 -5.902 7.804 -99.200 -91.000 PHE 107 1.000 4.260 -8.506 -9.778 -99.200 -91.000 PHE 119 1.000 2.383 -9.329 11.994 -99.200 -91.000 TRP 126 1.040 8.994 -14.079 -2.550 -99.200 -91.000 TRP6 126 1.020 8.759 -16.271 -1.691 -99.200 -91.000 HIS 140 0.900 13.025 -3.678 9.371 -99.200 -91.000 HIS 148 0.900 7.556 1.824 -3.528 -99.200 -91.000 PHE 149 1.000 11.753 -4.566 -5.879 -99.200 -91.000 TYR 161 0.840 3.527 -3.153 13.779 -99.200 -91.000 TRP 168 1.040 16.536 -3.737 3.225 -99.200 -91.000 TRP6 168 1.020 17.907 -4.889 4.767 -99.200 -91.000 PHE 189 1.000 2.849 3.141 2.786 -99.200 -91.000 PHE 192 1.000 12.964 3.920 -2.398 -99.200 -91.000 TYR 198 0.840 12.671 14.221 -2.250 -99.200 -91.000 TRP 211 1.040 12.236 10.234 7.124 -99.200 -91.000 TRP6 211 1.020 13.843 10.622 8.812 -99.200 -91.000 TYR 213 0.840 18.669 6.147 -0.373 -99.200 -91.000 TYR 222 0.840 3.690 15.885 4.472 -99.200 -91.000 HIS 225 0.900 -2.151 11.328 9.858 -99.200 -91.000 TYR 230 0.840 -6.772 -0.614 12.851 -99.200 -91.000 PHE 233 1.000 -1.512 -0.244 1.783 -99.200 -91.000 PHE 236 1.000 5.682 10.495 -2.232 -99.200 -91.000 TRP 243 1.040 -3.187 17.254 -4.201 -99.200 -91.000 TRP6 243 1.020 -2.986 19.580 -3.799 -99.200 -91.000 TYR 254 0.840 -7.065 13.791 8.252 -99.200 -91.000 TRP 256 1.040 -1.410 16.409 5.737 -99.200 -91.000 TRP6 256 1.020 -1.921 14.101 5.819 -99.200 -91.000 HIS 270 0.900 -14.468 4.748 2.993 -99.200 -91.000 HIS 280 0.900 -6.269 6.542 -13.043 -99.200 -91.000 TRP 300 1.040 -13.109 9.227 -2.285 -99.200 -91.000 TRP6 300 1.020 -14.727 10.260 -0.898 -99.200 -91.000