============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TRP 15 1.040 -3.528 -4.021 -36.850 -99.200 -91.000 TRP6 15 1.020 -4.812 -2.238 -37.710 -99.200 -91.000 PHE 21 1.000 5.302 -4.724 -31.669 -99.200 -91.000 HIS 34 0.900 5.708 26.481 -34.362 -99.200 -91.000 HIS 51 0.900 6.761 -2.787 -18.843 -99.200 -91.000 HIS 67 0.900 10.339 3.780 -25.387 -99.200 -91.000 PHE 93 1.000 11.133 8.464 -22.626 -99.200 -91.000 HIS 105 0.900 12.389 23.181 -9.445 -99.200 -91.000 PHE 110 1.000 6.000 13.380 -16.032 -99.200 -91.000 PHE 130 1.000 2.413 7.480 -37.315 -99.200 -91.000 HIS 138 0.900 -5.146 6.498 -30.531 -99.200 -91.000 HIS 139 0.900 1.371 10.494 -34.010 -99.200 -91.000 PHE 140 1.000 4.626 3.958 -26.296 -99.200 -91.000 PHE 146 1.000 9.179 -0.462 -31.837 -99.200 -91.000 TYR 149 0.840 10.241 8.433 -44.616 -99.200 -91.000 PHE 176 1.000 24.711 6.241 -21.173 -99.200 -91.000 TYR 180 0.840 26.576 8.169 -17.031 -99.200 -91.000 PHE 198 1.000 17.062 -4.860 -5.161 -99.200 -91.000 PHE 229 1.000 23.815 -12.935 -11.174 -99.200 -91.000 TYR 246 0.840 21.506 -15.289 -0.885 -99.200 -91.000 PHE 264 1.000 23.948 7.143 -2.821 -99.200 -91.000 PHE 266 1.000 20.661 3.690 -8.109 -99.200 -91.000 TYR 286 0.840 24.057 6.406 6.368 -99.200 -91.000 TRP 314 1.040 10.863 4.583 -2.284 -99.200 -91.000 TRP6 314 1.020 8.817 3.693 -1.515 -99.200 -91.000 PHE 319 1.000 15.905 11.031 -21.594 -99.200 -91.000 PHE 322 1.000 20.916 13.011 -17.939 -99.200 -91.000 PHE 335 1.000 29.125 6.652 -28.444 -99.200 -91.000 PHE 340 1.000 27.919 8.209 -22.802 -99.200 -91.000 HIS 348 0.900 20.924 -10.949 -29.355 -99.200 -91.000 PHE 352 1.000 10.430 -1.574 -38.712 -99.200 -91.000 PHE 359 1.000 9.131 -5.721 -29.004 -99.200 -91.000 PHE 374 1.000 13.304 1.803 -38.900 -99.200 -91.000