============================================================================= 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 -3.329 39.775 41.851 -99.200 -91.000 TRP6 12 1.020 -4.386 39.996 43.956 -99.200 -91.000 TYR 20 0.840 0.794 21.103 28.043 -99.200 -91.000 TRP 26 1.040 8.525 25.655 26.923 -99.200 -91.000 TRP6 26 1.020 8.803 23.960 28.548 -99.200 -91.000 HIS 28 0.900 -1.517 29.008 32.356 -99.200 -91.000 TRP 39 1.040 10.774 23.870 48.115 -99.200 -91.000 TRP6 39 1.020 10.111 21.648 47.664 -99.200 -91.000 HIS 45 0.900 -6.623 19.807 39.108 -99.200 -91.000 PHE 53 1.000 3.697 19.222 34.317 -99.200 -91.000 HIS 60 0.900 0.049 41.752 33.017 -99.200 -91.000 TYR 71 0.840 10.425 32.403 30.283 -99.200 -91.000 HIS 80 0.900 -1.690 14.775 51.314 -99.200 -91.000 TYR 82 0.840 -4.077 9.260 53.090 -99.200 -91.000 TRP 83 1.040 -4.105 13.785 43.142 -99.200 -91.000 TRP6 83 1.020 -6.186 14.908 43.042 -99.200 -91.000 TYR 91 0.840 -6.478 13.875 51.675 -99.200 -91.000 TYR 107 0.840 7.334 43.771 37.761 -99.200 -91.000 TYR 127 0.840 -9.977 41.276 44.295 -99.200 -91.000 TRP 131 1.040 -1.769 34.468 32.694 -99.200 -91.000 TRP6 131 1.020 -0.383 34.005 34.552 -99.200 -91.000 TYR 148 0.840 -14.753 41.112 46.364 -99.200 -91.000 TYR 154 0.840 -18.148 21.608 55.612 -99.200 -91.000 TYR 160 0.840 -24.795 27.771 48.131 -99.200 -91.000 TRP 161 1.040 -19.567 23.154 44.992 -99.200 -91.000 TRP6 161 1.020 -19.104 21.830 43.085 -99.200 -91.000 HIS 190 0.900 -3.645 36.031 45.255 -99.200 -91.000 TYR 197 0.840 -5.921 41.307 49.232 -99.200 -91.000 HIS 200 0.900 -6.746 32.779 54.031 -99.200 -91.000 PHE 205 1.000 -14.232 20.441 43.513 -99.200 -91.000 PHE 220 1.000 -10.799 28.914 44.987 -99.200 -91.000 TYR 226 0.840 -4.156 19.828 52.427 -99.200 -91.000 TRP 229 1.040 1.789 17.095 52.490 -99.200 -91.000 TRP6 229 1.020 1.993 18.297 50.464 -99.200 -91.000