============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 7 0.840 31.522 33.065 40.922 -99.200 -91.000 PHE 8 1.000 22.998 28.803 39.747 -99.200 -91.000 HIS 18 0.900 -1.325 33.601 35.488 -99.200 -91.000 TRP 36 1.040 18.440 32.658 36.888 -99.200 -91.000 TRP6 36 1.020 19.335 33.340 38.972 -99.200 -91.000 TYR 38 0.840 22.941 29.822 34.728 -99.200 -91.000 PHE 64 1.000 10.372 42.347 23.203 -99.200 -91.000 PHE 68 1.000 5.625 36.983 18.242 -99.200 -91.000 TYR 92 0.840 36.420 36.968 34.626 -99.200 -91.000 TYR 99 0.840 35.486 27.572 24.109 -99.200 -91.000 HIS 104 0.900 16.916 29.884 24.842 -99.200 -91.000 HIS 106 0.900 13.516 31.781 22.623 -99.200 -91.000 PHE 107 1.000 13.699 39.577 25.625 -99.200 -91.000 HIS 109 0.900 17.846 32.517 28.044 -99.200 -91.000 PHE 116 1.000 30.396 38.711 25.753 -99.200 -91.000 TYR 128 0.840 24.148 31.193 12.491 -99.200 -91.000 HIS 133 0.900 13.560 30.637 9.507 -99.200 -91.000 TYR 137 0.840 15.165 32.817 17.400 -99.200 -91.000 HIS 145 0.900 29.636 40.509 9.249 -99.200 -91.000 TYR 148 0.840 27.292 33.754 15.490 -99.200 -91.000 TYR 155 0.840 31.430 21.149 21.423 -99.200 -91.000 TYR 165 0.840 19.679 19.458 19.520 -99.200 -91.000 HIS 169 0.900 11.817 28.069 25.475 -99.200 -91.000 HIS 173 0.900 17.021 25.171 25.883 -99.200 -91.000 PHE 177 1.000 25.541 15.994 34.229 -99.200 -91.000 TYR 194 0.840 9.828 29.707 30.163 -99.200 -91.000 PHE 199 1.000 13.471 17.865 34.794 -99.200 -91.000 PHE 205 1.000 8.638 24.991 29.127 -99.200 -91.000 PHE 208 1.000 10.443 24.734 17.018 -99.200 -91.000 PHE 232 1.000 20.757 24.973 41.061 -99.200 -91.000 PHE 233 1.000 13.801 22.768 37.741 -99.200 -91.000 HIS 235 0.900 13.549 32.707 32.146 -99.200 -91.000 PHE 246 1.000 29.912 37.839 41.782 -99.200 -91.000 TYR 249 0.840 32.711 29.268 45.056 -99.200 -91.000