============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TRP 15 1.040 9.190 -18.983 -11.757 -99.200 -91.000 TRP6 15 1.020 7.010 -18.641 -12.611 -99.200 -91.000 PHE 21 1.000 15.319 -13.012 -6.585 -99.200 -91.000 HIS 34 0.900 -7.421 7.840 -8.521 -99.200 -91.000 HIS 51 0.900 15.095 -11.016 6.194 -99.200 -91.000 HIS 67 0.900 12.394 -3.795 -0.184 -99.200 -91.000 PHE 93 1.000 9.672 -0.080 2.620 -99.200 -91.000 HIS 105 0.900 -0.357 9.734 16.209 -99.200 -91.000 PHE 129 1.000 4.433 -7.059 -12.076 -99.200 -91.000 HIS 137 0.900 0.455 -13.978 -5.415 -99.200 -91.000 HIS 138 0.900 1.596 -6.180 -8.562 -99.200 -91.000 PHE 139 1.000 8.484 -8.126 -1.044 -99.200 -91.000 PHE 145 1.000 14.793 -7.128 -6.588 -99.200 -91.000 TYR 148 0.840 8.922 -0.230 -18.989 -99.200 -91.000 PHE 175 1.000 20.227 8.230 4.344 -99.200 -91.000 TYR 179 0.840 20.016 10.786 8.519 -99.200 -91.000 PHE 197 1.000 23.328 -5.333 19.948 -99.200 -91.000 PHE 228 1.000 33.977 -5.191 13.777 -99.200 -91.000 TYR 245 0.840 34.269 -8.461 23.761 -99.200 -91.000 PHE 263 1.000 19.044 7.772 22.571 -99.200 -91.000 PHE 265 1.000 19.538 3.259 17.187 -99.200 -91.000 TYR 285 0.840 19.707 7.154 31.588 -99.200 -91.000 TRP 313 1.040 12.532 -3.733 22.839 -99.200 -91.000 TRP6 313 1.020 11.828 -5.915 23.532 -99.200 -91.000 PHE 318 1.000 10.957 4.878 3.907 -99.200 -91.000 PHE 321 1.000 12.761 9.769 7.714 -99.200 -91.000 PHE 334 1.000 22.796 11.948 -2.897 -99.200 -91.000 PHE 339 1.000 20.758 11.820 2.675 -99.200 -91.000 HIS 347 0.900 30.364 -5.692 -4.173 -99.200 -91.000 PHE 351 1.000 16.135 -6.975 -13.555 -99.200 -91.000 PHE 358 1.000 18.583 -10.796 -3.988 -99.200 -91.000 PHE 373 1.000 15.766 -2.591 -13.150 -99.200 -91.000