============================================================================= 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 17 0.840 28.701 14.880 37.490 -99.200 -91.000 PHE 30 1.000 37.311 18.689 39.564 -99.200 -91.000 HIS 49 0.900 29.699 15.507 48.863 -99.200 -91.000 TYR 53 0.840 24.723 5.370 46.538 -99.200 -91.000 TYR 64 0.840 49.057 25.493 37.036 -99.200 -91.000 HIS 103 0.900 55.149 21.179 39.341 -99.200 -91.000 TYR 106 0.840 51.161 18.127 29.620 -99.200 -91.000 HIS 121 0.900 50.823 31.259 21.285 -99.200 -91.000 TYR 123 0.840 52.993 21.825 17.257 -99.200 -91.000 PHE 136 1.000 35.100 19.157 23.256 -99.200 -91.000 PHE 145 1.000 25.913 18.066 10.445 -99.200 -91.000 TYR 147 0.840 18.342 18.617 19.155 -99.200 -91.000 PHE 153 1.000 17.307 13.598 7.406 -99.200 -91.000 HIS 168 0.900 33.808 25.091 18.696 -99.200 -91.000 PHE 176 1.000 24.796 19.785 5.374 -99.200 -91.000 PHE 188 1.000 21.379 16.296 3.832 -99.200 -91.000 TRP 216 1.040 23.649 20.470 30.911 -99.200 -91.000 TRP6 216 1.020 24.749 20.569 33.015 -99.200 -91.000 HIS 224 0.900 32.731 10.044 22.652 -99.200 -91.000 HIS 231 0.900 38.333 2.793 29.723 -99.200 -91.000 PHE 247 1.000 41.458 15.904 5.755 -99.200 -91.000 HIS 249 0.900 44.329 22.470 3.434 -99.200 -91.000 PHE 254 1.000 41.880 22.307 8.901 -99.200 -91.000 TRP 271 1.040 36.771 10.810 7.511 -99.200 -91.000 TRP6 271 1.020 34.954 11.782 8.663 -99.200 -91.000 TYR 276 0.840 29.625 23.752 -0.740 -99.200 -91.000 TYR 292 0.840 49.940 30.639 15.692 -99.200 -91.000