============================================================================= 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 -2.619 -16.243 -4.031 -99.200 -91.000 HIS 12 0.900 2.848 -20.729 6.602 -99.200 -91.000 PHE 15 1.000 14.257 -15.267 2.905 -99.200 -91.000 PHE 17 1.000 16.984 -13.309 -3.065 -99.200 -91.000 TYR 20 0.840 15.817 -7.296 -11.191 -99.200 -91.000 TRP 33 1.040 20.732 -14.622 -6.226 -99.200 -91.000 TRP6 33 1.020 18.654 -14.890 -7.339 -99.200 -91.000 TRP 46 1.040 4.354 -13.176 -2.118 -99.200 -91.000 TRP6 46 1.020 3.388 -13.606 -4.233 -99.200 -91.000 HIS 53 0.900 9.637 -12.861 -7.329 -99.200 -91.000 TRP 54 1.040 3.822 -18.150 -5.651 -99.200 -91.000 TRP6 54 1.020 3.391 -18.605 -3.360 -99.200 -91.000 TYR 66 0.840 13.160 -23.335 -15.152 -99.200 -91.000 TYR 69 0.840 5.283 -28.588 -22.118 -99.200 -91.000 HIS 71 0.900 -0.173 -27.860 -13.741 -99.200 -91.000 PHE 72 1.000 4.972 -24.598 -12.121 -99.200 -91.000 PHE 78 1.000 13.993 -12.160 -18.602 -99.200 -91.000 TYR 87 0.840 12.095 -12.909 -22.698 -99.200 -91.000 PHE 89 1.000 14.591 -10.779 -26.605 -99.200 -91.000 PHE 102 1.000 9.326 -20.124 -34.142 -99.200 -91.000 PHE 141 1.000 38.919 -11.876 -16.978 -99.200 -91.000 TYR 145 0.840 39.795 -13.246 -22.214 -99.200 -91.000 PHE 149 1.000 37.261 -15.612 -25.812 -99.200 -91.000 PHE 154 1.000 25.734 -12.392 -31.076 -99.200 -91.000 HIS 167 0.900 22.452 1.783 -29.009 -99.200 -91.000 TYR 170 0.840 22.623 1.867 -21.083 -99.200 -91.000 PHE 184 1.000 12.622 -7.153 -21.081 -99.200 -91.000 TYR 192 0.840 12.283 -6.773 -30.587 -99.200 -91.000 TYR 194 0.840 22.180 -2.772 -34.116 -99.200 -91.000 PHE 247 1.000 31.069 -19.688 -15.744 -99.200 -91.000 PHE 250 1.000 29.614 -14.161 -11.109 -99.200 -91.000 PHE 254 1.000 37.707 -21.227 -7.378 -99.200 -91.000 HIS 261 0.900 40.337 -24.929 -6.329 -99.200 -91.000 PHE 283 1.000 32.598 -19.336 -8.669 -99.200 -91.000 TYR 296 0.840 0.432 -27.635 -10.161 -99.200 -91.000 PHE 298 1.000 5.772 -27.146 -7.848 -99.200 -91.000 HIS 299 0.900 7.285 -30.048 -4.338 -99.200 -91.000 HIS 328 0.900 35.966 -28.074 -1.843 -99.200 -91.000 PHE 331 1.000 38.922 -26.938 -10.811 -99.200 -91.000 HIS 338 0.900 25.315 -27.577 -14.691 -99.200 -91.000 PHE 341 1.000 25.597 -23.866 -20.190 -99.200 -91.000 HIS 343 0.900 15.628 -30.034 -15.729 -99.200 -91.000 HIS 346 0.900 11.604 -22.517 -23.499 -99.200 -91.000 HIS 352 0.900 26.409 -27.967 -27.346 -99.200 -91.000 TRP 365 1.040 44.627 -15.614 -17.181 -99.200 -91.000 TRP6 365 1.020 44.047 -13.438 -17.905 -99.200 -91.000 PHE 372 1.000 45.108 -15.408 -12.517 -99.200 -91.000 HIS 382 0.900 30.444 -11.535 -6.998 -99.200 -91.000 TRP 397 1.040 50.297 -10.525 -15.076 -99.200 -91.000 TRP6 397 1.020 48.120 -9.754 -15.597 -99.200 -91.000