============================================================================= 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. TRP 12 1.040 -3.740 39.794 42.655 -99.200 -91.000 TRP6 12 1.020 -4.732 39.923 44.791 -99.200 -91.000 TYR 20 0.840 1.038 21.176 28.624 -99.200 -91.000 TRP 26 1.040 8.660 25.925 27.654 -99.200 -91.000 TRP6 26 1.020 8.964 24.243 29.285 -99.200 -91.000 HIS 28 0.900 -1.629 28.939 33.000 -99.200 -91.000 TRP 39 1.040 10.657 24.038 48.854 -99.200 -91.000 TRP6 39 1.020 10.104 21.823 48.286 -99.200 -91.000 HIS 45 0.900 -7.149 16.477 38.432 -99.200 -91.000 PHE 53 1.000 3.917 19.350 35.092 -99.200 -91.000 HIS 60 0.900 -0.483 41.602 33.970 -99.200 -91.000 TYR 71 0.840 10.473 32.709 31.121 -99.200 -91.000 HIS 80 0.900 -1.549 14.833 51.963 -99.200 -91.000 TYR 82 0.840 -3.928 9.225 53.805 -99.200 -91.000 TRP 83 1.040 -3.924 13.593 43.786 -99.200 -91.000 TRP6 83 1.020 -5.971 14.770 43.669 -99.200 -91.000 TYR 91 0.840 -6.369 13.754 52.286 -99.200 -91.000 TYR 107 0.840 7.238 44.033 38.360 -99.200 -91.000 TYR 127 0.840 -10.418 41.044 44.961 -99.200 -91.000 TRP 131 1.040 -2.060 34.462 33.306 -99.200 -91.000 TRP6 131 1.020 -0.613 34.045 35.119 -99.200 -91.000 TYR 148 0.840 -15.815 40.452 46.993 -99.200 -91.000 TYR 154 0.840 -18.367 21.074 56.326 -99.200 -91.000 TYR 160 0.840 -25.012 27.204 48.529 -99.200 -91.000 TRP 161 1.040 -19.643 22.761 45.447 -99.200 -91.000 TRP6 161 1.020 -19.083 21.538 43.519 -99.200 -91.000 HIS 190 0.900 -3.939 36.029 45.971 -99.200 -91.000 TYR 197 0.840 -6.243 41.219 49.856 -99.200 -91.000 HIS 200 0.900 -6.949 32.651 54.689 -99.200 -91.000 PHE 205 1.000 -14.225 20.173 44.128 -99.200 -91.000 PHE 220 1.000 -10.891 28.726 45.685 -99.200 -91.000 TYR 226 0.840 -4.154 19.796 53.135 -99.200 -91.000 TRP 229 1.040 2.041 17.074 53.157 -99.200 -91.000 TRP6 229 1.020 2.052 18.307 51.146 -99.200 -91.000