============================================================================= 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 28.724 14.910 37.430 -99.200 -91.000 PHE 30 1.000 37.321 18.731 39.596 -99.200 -91.000 HIS 49 0.900 29.769 15.481 48.857 -99.200 -91.000 TYR 53 0.840 24.786 5.340 46.503 -99.200 -91.000 TYR 64 0.840 49.165 25.444 37.010 -99.200 -91.000 HIS 103 0.900 55.186 21.128 39.297 -99.200 -91.000 TYR 106 0.840 51.242 18.056 29.656 -99.200 -91.000 HIS 121 0.900 50.874 31.242 21.249 -99.200 -91.000 TYR 123 0.840 53.014 21.788 17.340 -99.200 -91.000 PHE 136 1.000 35.113 19.164 23.257 -99.200 -91.000 PHE 145 1.000 25.958 18.028 10.461 -99.200 -91.000 TYR 147 0.840 18.359 18.617 19.189 -99.200 -91.000 PHE 153 1.000 17.307 13.457 7.463 -99.200 -91.000 HIS 168 0.900 33.868 24.983 18.687 -99.200 -91.000 PHE 176 1.000 24.719 19.658 5.429 -99.200 -91.000 PHE 188 1.000 21.504 16.219 3.867 -99.200 -91.000 TRP 216 1.040 23.643 20.427 30.871 -99.200 -91.000 TRP6 216 1.020 24.752 20.555 32.975 -99.200 -91.000 HIS 224 0.900 32.771 9.988 22.591 -99.200 -91.000 HIS 231 0.900 38.421 2.665 29.720 -99.200 -91.000 PHE 247 1.000 41.450 15.841 5.779 -99.200 -91.000 HIS 249 0.900 44.356 22.506 3.409 -99.200 -91.000 PHE 254 1.000 41.940 22.245 8.876 -99.200 -91.000 TRP 271 1.040 36.754 10.840 7.591 -99.200 -91.000 TRP6 271 1.020 34.948 11.877 8.705 -99.200 -91.000 TYR 276 0.840 29.646 23.715 -0.705 -99.200 -91.000 TYR 292 0.840 49.955 30.647 15.721 -99.200 -91.000