============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 36 0.840 42.642 14.984 32.218 -99.200 -91.000 TRP 39 1.040 45.878 17.871 18.731 -99.200 -91.000 TRP6 39 1.020 44.364 18.681 17.113 -99.200 -91.000 TYR 53 0.840 51.135 11.988 26.420 -99.200 -91.000 PHE 66 1.000 53.244 14.832 13.573 -99.200 -91.000 PHE 75 1.000 42.868 22.627 24.282 -99.200 -91.000 TYR 90 0.840 46.874 14.603 11.002 -99.200 -91.000 TYR 91 0.840 38.876 11.139 13.318 -99.200 -91.000 TRP 93 1.040 40.902 11.168 22.431 -99.200 -91.000 TRP6 93 1.020 40.070 9.250 23.553 -99.200 -91.000 HIS 97 0.900 33.976 19.026 30.219 -99.200 -91.000 PHE 98 1.000 33.304 9.649 32.418 -99.200 -91.000 PHE 102 1.000 37.156 10.229 19.683 -99.200 -91.000 PHE 122 1.000 45.406 -6.270 -16.295 -99.200 -91.000 PHE 139 1.000 43.651 -3.128 -11.881 -99.200 -91.000 PHE 143 1.000 44.292 9.018 -11.159 -99.200 -91.000 TYR 144 0.840 48.367 15.551 -6.706 -99.200 -91.000 TRP 152 1.040 35.116 0.818 -19.428 -99.200 -91.000 TRP6 152 1.020 36.749 -0.825 -19.903 -99.200 -91.000 TRP 167 1.040 38.886 7.975 -8.077 -99.200 -91.000 TRP6 167 1.020 36.911 7.420 -9.264 -99.200 -91.000 TYR 177 0.840 44.390 10.937 -4.552 -99.200 -91.000 TYR 190 0.840 34.878 -10.882 -23.950 -99.200 -91.000 HIS 193 0.900 29.742 -6.270 -29.032 -99.200 -91.000 TYR 196 0.840 35.268 -5.942 -25.554 -99.200 -91.000 HIS 202 0.900 45.392 13.303 -14.353 -99.200 -91.000 PHE 213 1.000 40.522 -6.969 -24.705 -99.200 -91.000