============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 8 0.900 -15.478 -16.480 1.551 -99.200 -91.000 HIS 12 0.900 -20.387 -22.711 -8.639 -99.200 -91.000 PHE 15 1.000 -14.833 -13.825 -16.497 -99.200 -91.000 PHE 17 1.000 -12.898 -7.216 -15.788 -99.200 -91.000 TYR 20 0.840 -6.903 -0.906 -10.523 -99.200 -91.000 TRP 33 1.040 -14.240 -2.514 -17.308 -99.200 -91.000 TRP6 33 1.020 -14.481 -2.709 -14.957 -99.200 -91.000 TRP 46 1.040 -12.655 -14.691 -5.470 -99.200 -91.000 TRP6 46 1.020 -13.039 -13.438 -3.499 -99.200 -91.000 HIS 53 0.900 -12.379 -7.460 -7.129 -99.200 -91.000 TRP 54 1.040 -17.639 -11.923 -3.172 -99.200 -91.000 TRP6 54 1.020 -18.100 -14.079 -4.037 -99.200 -91.000 TYR 66 0.840 -22.933 1.009 -6.068 -99.200 -91.000 TYR 69 0.840 -27.844 2.795 4.485 -99.200 -91.000 HIS 71 0.900 -27.265 -7.229 4.608 -99.200 -91.000 PHE 72 1.000 -24.040 -5.835 -0.627 -99.200 -91.000 PHE 78 1.000 -11.380 4.390 -5.024 -99.200 -91.000 TYR 87 0.840 -12.280 6.770 -1.267 -99.200 -91.000 PHE 89 1.000 -10.127 11.416 -1.485 -99.200 -91.000 PHE 102 1.000 -19.272 15.186 7.018 -99.200 -91.000 PHE 141 1.000 -11.694 16.353 -27.108 -99.200 -91.000 TYR 145 0.840 -13.090 21.158 -25.097 -99.200 -91.000 PHE 149 1.000 -15.398 22.750 -21.128 -99.200 -91.000 PHE 154 1.000 -12.161 21.261 -8.335 -99.200 -91.000 HIS 167 0.900 2.143 17.715 -6.927 -99.200 -91.000 TYR 170 0.840 2.259 11.337 -10.389 -99.200 -91.000 PHE 184 1.000 -6.695 5.958 -2.456 -99.200 -91.000 TYR 192 0.840 -6.233 13.657 2.518 -99.200 -91.000 TYR 194 0.840 -2.230 21.854 -3.958 -99.200 -91.000 PHE 247 1.000 -19.332 10.871 -20.994 -99.200 -91.000 PHE 250 1.000 -13.673 6.243 -22.143 -99.200 -91.000 PHE 254 1.000 -20.746 6.871 -31.010 -99.200 -91.000 HIS 261 0.900 -24.665 7.088 -33.915 -99.200 -91.000 PHE 283 1.000 -19.013 5.644 -26.124 -99.200 -91.000 TYR 296 0.840 -27.126 -9.915 2.255 -99.200 -91.000 PHE 298 1.000 -26.746 -9.029 -3.487 -99.200 -91.000 HIS 299 0.900 -29.706 -11.245 -6.619 -99.200 -91.000 HIS 328 0.900 -27.786 1.457 -32.381 -99.200 -91.000 PHE 331 1.000 -26.502 10.445 -30.510 -99.200 -91.000 HIS 338 0.900 -27.384 6.817 -16.710 -99.200 -91.000 PHE 341 1.000 -23.636 11.716 -14.065 -99.200 -91.000 HIS 343 0.900 -29.641 2.672 -7.709 -99.200 -91.000 HIS 346 0.900 -22.106 6.870 -0.211 -99.200 -91.000 HIS 351 0.900 -28.106 19.691 -11.169 -99.200 -91.000 TRP 364 1.040 -15.402 19.396 -31.918 -99.200 -91.000 TRP6 364 1.020 -13.229 19.697 -31.027 -99.200 -91.000 PHE 371 1.000 -15.431 15.525 -34.475 -99.200 -91.000 HIS 381 0.900 -9.848 3.243 -25.686 -99.200 -91.000 TRP 396 1.040 -10.541 20.594 -37.783 -99.200 -91.000 TRP6 396 1.020 -9.739 19.924 -35.649 -99.200 -91.000