============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 26 1.040 61.004 -13.846 15.152 -99.200 -91.000 TRP6 26 1.020 62.221 -11.925 15.804 -99.200 -91.000 TYR 27 0.840 54.043 -11.973 11.206 -99.200 -91.000 TRP 33 1.040 56.098 1.122 5.616 -99.200 -91.000 TRP6 33 1.020 56.069 0.679 7.949 -99.200 -91.000 PHE 34 1.000 61.623 -1.118 11.411 -99.200 -91.000 TRP 37 1.040 57.488 3.056 12.565 -99.200 -91.000 TRP6 37 1.020 59.245 2.360 13.999 -99.200 -91.000 TYR 40 0.840 54.798 9.856 11.519 -99.200 -91.000 PHE 43 1.000 64.692 2.659 16.173 -99.200 -91.000 TRP 46 1.040 72.099 8.734 14.213 -99.200 -91.000 TRP6 46 1.020 71.335 7.836 12.163 -99.200 -91.000 TYR 49 0.840 66.407 16.005 10.350 -99.200 -91.000 TYR 57 0.840 51.195 8.033 8.303 -99.200 -91.000 HIS 77 0.900 69.133 -15.441 -5.827 -99.200 -91.000 TYR 84 0.840 64.692 -10.324 5.060 -99.200 -91.000 TRP 92 1.040 52.590 -8.528 10.885 -99.200 -91.000 TRP6 92 1.020 53.439 -7.360 9.002 -99.200 -91.000 TRP 98 1.040 50.540 1.223 16.819 -99.200 -91.000 TRP6 98 1.020 52.771 0.710 17.456 -99.200 -91.000 TYR 99 0.840 52.568 3.525 11.174 -99.200 -91.000 PHE 118 1.000 82.497 -24.153 5.670 -99.200 -91.000 HIS 121 0.900 83.464 -18.857 13.799 -99.200 -91.000 TYR 127 0.840 99.566 -28.886 19.022 -99.200 -91.000