============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 7 0.900 57.150 4.254 -8.222 -99.200 -91.000 PHE 20 1.000 45.183 10.431 8.731 -99.200 -91.000 TYR 25 0.840 44.324 9.829 20.809 -99.200 -91.000 PHE 40 1.000 48.373 31.946 22.954 -99.200 -91.000 TYR 59 0.840 45.197 34.623 19.435 -99.200 -91.000 TYR 60 0.840 50.800 34.050 12.809 -99.200 -91.000 TRP 65 1.040 48.460 16.514 19.338 -99.200 -91.000 TRP6 65 1.020 47.690 18.436 18.200 -99.200 -91.000 TRP 72 1.040 55.627 7.478 8.765 -99.200 -91.000 TRP6 72 1.020 54.570 9.469 9.465 -99.200 -91.000 TYR 77 0.840 53.942 3.670 5.328 -99.200 -91.000 PHE 83 1.000 50.632 12.460 7.318 -99.200 -91.000 TRP 91 1.040 41.757 14.326 20.186 -99.200 -91.000 TRP6 91 1.020 43.450 15.562 21.286 -99.200 -91.000 TYR 98 0.840 39.868 28.120 30.319 -99.200 -91.000 HIS 116 0.900 60.339 10.113 11.768 -99.200 -91.000 PHE 122 1.000 45.156 23.245 13.792 -99.200 -91.000 PHE 130 1.000 41.492 39.892 25.665 -99.200 -91.000 PHE 149 1.000 44.190 31.956 24.787 -99.200 -91.000 TRP 152 1.040 34.096 24.266 27.774 -99.200 -91.000 TRP6 152 1.020 34.275 26.431 28.689 -99.200 -91.000 TYR 154 0.840 39.849 15.505 27.005 -99.200 -91.000 PHE 157 1.000 44.276 13.923 38.368 -99.200 -91.000 TYR 173 0.840 51.723 44.423 18.009 -99.200 -91.000 TYR 174 0.840 50.311 47.051 10.951 -99.200 -91.000 TYR 179 0.840 44.913 50.233 20.627 -99.200 -91.000 HIS 192 0.900 45.401 22.100 42.792 -99.200 -91.000 TYR 193 0.840 39.073 26.421 39.730 -99.200 -91.000 TYR 200 0.840 39.718 21.223 36.443 -99.200 -91.000 PHE 209 1.000 45.994 47.024 25.495 -99.200 -91.000