============================================================================= 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 -3.511 40.074 42.952 -99.200 -91.000 TRP6 12 1.020 -4.446 40.180 45.107 -99.200 -91.000 TYR 20 0.840 1.031 21.015 29.326 -99.200 -91.000 TRP 26 1.040 8.540 25.538 28.114 -99.200 -91.000 TRP6 26 1.020 8.705 23.856 29.773 -99.200 -91.000 HIS 28 0.900 -1.575 29.132 33.232 -99.200 -91.000 TRP 39 1.040 10.192 23.707 49.329 -99.200 -91.000 TRP6 39 1.020 9.532 21.478 48.873 -99.200 -91.000 HIS 45 0.900 -7.044 19.918 39.906 -99.200 -91.000 PHE 53 1.000 3.663 19.285 35.351 -99.200 -91.000 HIS 60 0.900 0.152 41.795 34.214 -99.200 -91.000 TYR 71 0.840 10.406 32.444 31.565 -99.200 -91.000 HIS 80 0.900 -2.474 15.052 52.088 -99.200 -91.000 TYR 82 0.840 -4.515 10.002 54.260 -99.200 -91.000 TRP 83 1.040 -4.654 13.800 43.981 -99.200 -91.000 TRP6 83 1.020 -6.667 14.964 43.849 -99.200 -91.000 TYR 91 0.840 -7.280 14.058 52.292 -99.200 -91.000 TYR 107 0.840 8.034 43.961 38.934 -99.200 -91.000 TYR 127 0.840 -9.987 41.373 45.388 -99.200 -91.000 TRP 131 1.040 -1.791 34.703 33.567 -99.200 -91.000 TRP6 131 1.020 -0.427 34.244 35.442 -99.200 -91.000 TYR 148 0.840 -15.176 41.450 47.155 -99.200 -91.000 TYR 154 0.840 -19.013 21.951 55.941 -99.200 -91.000 TYR 160 0.840 -25.382 27.952 48.358 -99.200 -91.000 TRP 161 1.040 -20.290 23.446 45.274 -99.200 -91.000 TRP6 161 1.020 -19.818 22.141 43.391 -99.200 -91.000 HIS 190 0.900 -3.837 36.140 46.184 -99.200 -91.000 TYR 197 0.840 -5.822 41.221 50.112 -99.200 -91.000 HIS 200 0.900 -7.113 32.742 54.924 -99.200 -91.000 PHE 205 1.000 -14.822 20.486 43.942 -99.200 -91.000 PHE 220 1.000 -11.163 29.040 45.870 -99.200 -91.000 TYR 226 0.840 -4.878 19.842 53.435 -99.200 -91.000 TRP 229 1.040 1.411 16.825 53.785 -99.200 -91.000 TRP6 229 1.020 1.478 17.988 51.718 -99.200 -91.000