============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 21 1.040 17.334 -9.652 21.408 -99.200 -91.000 TRP6 21 1.020 19.285 -8.515 20.679 -99.200 -91.000 TYR 40 0.840 15.522 -3.001 37.219 -99.200 -91.000 HIS 42 0.900 10.856 1.329 30.718 -99.200 -91.000 HIS 47 0.900 4.741 -11.492 18.191 -99.200 -91.000 TYR 49 0.840 13.009 -8.079 22.118 -99.200 -91.000 PHE 74 1.000 5.935 4.021 30.393 -99.200 -91.000 TRP 80 1.040 9.004 -8.743 13.275 -99.200 -91.000 TRP6 80 1.020 11.095 -7.816 13.843 -99.200 -91.000 TYR 83 0.840 2.436 -9.571 13.175 -99.200 -91.000 HIS 84 0.900 6.064 -1.814 9.913 -99.200 -91.000 TYR 104 0.840 -3.038 0.434 31.085 -99.200 -91.000 TYR 108 0.840 2.185 -2.136 19.878 -99.200 -91.000 HIS 111 0.900 11.485 -4.528 17.675 -99.200 -91.000 TRP 112 1.040 14.115 -3.176 13.868 -99.200 -91.000 TRP6 112 1.020 16.277 -2.267 13.664 -99.200 -91.000 PHE 116 1.000 11.462 -7.084 7.774 -99.200 -91.000 PHE 122 1.000 8.717 -13.671 14.859 -99.200 -91.000 PHE 123 1.000 14.507 -10.604 10.904 -99.200 -91.000 TRP 142 1.040 2.214 8.192 13.872 -99.200 -91.000 TRP6 142 1.020 3.489 7.290 15.607 -99.200 -91.000 PHE 162 1.000 10.320 5.045 12.589 -99.200 -91.000 HIS 164 0.900 18.310 13.803 9.793 -99.200 -91.000 TYR 178 0.840 -3.478 10.641 19.637 -99.200 -91.000 HIS 188 0.900 27.102 1.517 22.076 -99.200 -91.000 TYR 190 0.840 33.376 1.326 22.750 -99.200 -91.000 TYR 199 0.840 14.895 15.999 13.876 -99.200 -91.000 TYR 210 0.840 18.536 -0.494 20.268 -99.200 -91.000 TRP 220 1.040 25.094 -9.149 15.815 -99.200 -91.000 TRP6 220 1.020 22.758 -9.315 16.136 -99.200 -91.000 HIS 241 0.900 32.232 9.024 39.814 -99.200 -91.000 PHE 252 1.000 27.669 8.394 28.076 -99.200 -91.000 PHE 274 1.000 15.804 0.490 40.498 -99.200 -91.000 PHE 277 1.000 17.573 5.454 39.930 -99.200 -91.000 PHE 279 1.000 27.425 6.541 39.600 -99.200 -91.000 TYR 292 0.840 36.392 7.007 26.369 -99.200 -91.000 TRP 296 1.040 30.783 -1.901 17.135 -99.200 -91.000 TRP6 296 1.020 29.796 -2.729 19.112 -99.200 -91.000 HIS 307 0.900 12.081 -2.139 3.826 -99.200 -91.000 TYR 310 0.840 19.517 -1.293 7.224 -99.200 -91.000 PHE 312 1.000 20.347 1.709 12.028 -99.200 -91.000 HIS 313 0.900 21.770 1.761 3.405 -99.200 -91.000 PHE 316 1.000 21.489 13.815 11.750 -99.200 -91.000