============================================================================= 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 -3.591 40.196 42.912 -99.200 -91.000 TRP6 12 1.020 -4.617 40.269 45.049 -99.200 -91.000 TYR 20 0.840 1.094 21.067 29.079 -99.200 -91.000 TRP 26 1.040 8.541 25.748 27.964 -99.200 -91.000 TRP6 26 1.020 8.783 24.118 29.654 -99.200 -91.000 HIS 28 0.900 -1.534 29.185 33.221 -99.200 -91.000 TRP 39 1.040 10.293 23.894 49.316 -99.200 -91.000 TRP6 39 1.020 9.683 21.717 48.815 -99.200 -91.000 HIS 45 0.900 -7.447 18.012 38.233 -99.200 -91.000 PHE 53 1.000 3.854 19.428 35.325 -99.200 -91.000 HIS 60 0.900 0.068 41.900 34.219 -99.200 -91.000 TYR 71 0.840 10.593 32.610 31.515 -99.200 -91.000 HIS 80 0.900 -2.401 15.026 51.991 -99.200 -91.000 TYR 82 0.840 -4.505 10.043 54.094 -99.200 -91.000 TRP 83 1.040 -4.659 13.949 43.802 -99.200 -91.000 TRP6 83 1.020 -6.651 15.144 43.687 -99.200 -91.000 TYR 91 0.840 -7.273 13.965 52.210 -99.200 -91.000 TYR 107 0.840 7.909 44.054 38.931 -99.200 -91.000 TYR 127 0.840 -10.191 41.421 45.379 -99.200 -91.000 TRP 131 1.040 -1.807 34.746 33.600 -99.200 -91.000 TRP6 131 1.020 -0.441 34.358 35.453 -99.200 -91.000 TYR 148 0.840 -15.286 41.341 46.987 -99.200 -91.000 TYR 154 0.840 -18.823 21.803 56.035 -99.200 -91.000 TYR 160 0.840 -25.448 28.061 48.276 -99.200 -91.000 TRP 161 1.040 -20.083 23.333 45.359 -99.200 -91.000 TRP6 161 1.020 -19.804 21.956 43.484 -99.200 -91.000 HIS 190 0.900 -3.894 36.203 46.294 -99.200 -91.000 TYR 197 0.840 -5.815 41.424 50.036 -99.200 -91.000 HIS 200 0.900 -7.272 32.543 55.110 -99.200 -91.000 PHE 205 1.000 -14.841 20.587 44.060 -99.200 -91.000 PHE 220 1.000 -11.205 29.063 45.881 -99.200 -91.000 TYR 226 0.840 -4.777 19.861 53.360 -99.200 -91.000 TRP 229 1.040 1.507 16.811 53.624 -99.200 -91.000 TRP6 229 1.020 1.595 17.990 51.531 -99.200 -91.000