============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 9 1.040 -6.748 89.393 66.333 -99.200 -91.000 TRP6 9 1.020 -4.582 89.394 67.326 -99.200 -91.000 TYR 21 0.840 -12.332 87.163 50.246 -99.200 -91.000 HIS 23 0.900 -19.098 95.638 51.157 -99.200 -91.000 HIS 26 0.900 -22.883 95.070 43.899 -99.200 -91.000 PHE 36 1.000 -5.814 78.163 43.382 -99.200 -91.000 TYR 44 0.840 -1.960 83.823 55.553 -99.200 -91.000 TYR 45 0.840 -0.915 78.816 45.992 -99.200 -91.000 PHE 51 1.000 -0.674 78.295 40.346 -99.200 -91.000 TYR 65 0.840 -13.861 80.570 55.633 -99.200 -91.000 HIS 77 0.900 -15.303 82.180 50.871 -99.200 -91.000 TYR 79 0.840 -15.815 87.747 41.404 -99.200 -91.000 PHE 87 1.000 -7.291 74.338 40.796 -99.200 -91.000 TYR 119 0.840 -20.945 79.831 40.605 -99.200 -91.000 TYR 138 0.840 8.806 72.750 62.056 -99.200 -91.000 TYR 143 0.840 -4.166 72.009 69.666 -99.200 -91.000 TRP 153 1.040 -10.029 63.947 58.884 -99.200 -91.000 TRP6 153 1.020 -11.343 65.903 59.205 -99.200 -91.000 TYR 157 0.840 -11.151 66.543 52.394 -99.200 -91.000 TYR 164 0.840 -21.588 64.714 44.880 -99.200 -91.000 PHE 168 1.000 -7.824 63.396 46.853 -99.200 -91.000 PHE 172 1.000 0.276 63.581 53.197 -99.200 -91.000 TYR 186 0.840 8.982 71.428 49.541 -99.200 -91.000 HIS 192 0.900 0.022 78.852 58.637 -99.200 -91.000 TYR 198 0.840 1.968 79.212 49.643 -99.200 -91.000 TYR 208 0.840 -4.452 67.689 39.121 -99.200 -91.000 TYR 210 0.840 -1.995 77.568 33.966 -99.200 -91.000