============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TRP 14 1.040 14.942 17.899 14.068 -99.200 -91.000 TRP6 14 1.020 13.576 18.999 15.648 -99.200 -91.000 TRP 35 1.040 19.621 27.857 2.665 -99.200 -91.000 TRP6 35 1.020 21.372 27.670 1.098 -99.200 -91.000 HIS 41 0.900 31.280 11.239 6.418 -99.200 -91.000 PHE 43 1.000 27.071 15.576 0.014 -99.200 -91.000 TRP 49 1.040 28.881 15.954 -8.214 -99.200 -91.000 TRP6 49 1.020 29.110 16.353 -5.900 -99.200 -91.000 HIS 59 0.900 8.154 6.618 11.495 -99.200 -91.000 HIS 64 0.900 6.663 5.682 -0.914 -99.200 -91.000 TYR 82 0.840 35.704 16.702 3.768 -99.200 -91.000 HIS 89 0.900 37.795 22.525 9.049 -99.200 -91.000 HIS 97 0.900 14.799 23.289 -8.773 -99.200 -91.000 HIS 105 0.900 3.214 14.106 10.417 -99.200 -91.000 PHE 116 1.000 21.155 29.272 23.296 -99.200 -91.000 PHE 123 1.000 29.933 24.312 29.250 -99.200 -91.000 PHE 126 1.000 21.998 12.132 29.134 -99.200 -91.000 TRP 132 1.040 15.339 6.282 8.152 -99.200 -91.000 TRP6 132 1.020 15.257 8.612 7.813 -99.200 -91.000 TYR 173 0.840 37.603 24.202 13.188 -99.200 -91.000 PHE 175 1.000 29.693 17.704 20.004 -99.200 -91.000 TYR 179 0.840 25.607 6.332 26.993 -99.200 -91.000 HIS 195 0.900 24.797 16.471 19.703 -99.200 -91.000 HIS 198 0.900 13.612 20.192 24.769 -99.200 -91.000 TYR 199 0.840 18.719 26.570 27.589 -99.200 -91.000 TRP 203 1.040 13.715 19.549 20.968 -99.200 -91.000 TRP6 203 1.020 14.975 17.741 21.807 -99.200 -91.000 TYR 204 0.840 17.907 26.637 20.461 -99.200 -91.000 TRP 211 1.040 35.603 11.805 13.283 -99.200 -91.000 TRP6 211 1.020 37.374 10.866 14.526 -99.200 -91.000 HIS 220 0.900 38.001 3.469 20.799 -99.200 -91.000 PHE 221 1.000 33.216 8.362 25.501 -99.200 -91.000 TYR 224 0.840 27.673 12.741 17.333 -99.200 -91.000 TYR 230 0.840 32.480 24.114 10.744 -99.200 -91.000 TRP 233 1.040 31.850 28.209 5.718 -99.200 -91.000 TRP6 233 1.020 30.876 26.184 4.982 -99.200 -91.000 PHE 252 1.000 35.729 27.250 8.893 -99.200 -91.000