============================================================================= 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. HIS 20 0.900 39.693 23.244 44.202 -99.200 -91.000 PHE 22 1.000 33.175 21.799 42.497 -99.200 -91.000 TYR 33 0.840 5.164 7.665 39.340 -99.200 -91.000 PHE 51 1.000 34.269 21.927 47.742 -99.200 -91.000 TYR 53 0.840 30.932 14.901 47.095 -99.200 -91.000 PHE 60 1.000 26.758 16.178 42.904 -99.200 -91.000 PHE 64 1.000 14.444 10.197 40.586 -99.200 -91.000 TYR 67 0.840 4.400 15.961 45.424 -99.200 -91.000 TYR 74 0.840 5.850 23.816 39.538 -99.200 -91.000 PHE 75 1.000 8.876 19.789 42.223 -99.200 -91.000 PHE 79 1.000 10.713 16.211 34.065 -99.200 -91.000 TYR 83 0.840 12.191 20.352 38.029 -99.200 -91.000 TRP 85 1.040 16.705 22.304 40.912 -99.200 -91.000 TRP6 85 1.020 18.531 22.705 42.342 -99.200 -91.000 PHE 91 1.000 26.493 26.649 53.995 -99.200 -91.000 PHE 110 1.000 13.587 12.397 35.782 -99.200 -91.000 TYR 112 0.840 19.211 15.178 38.030 -99.200 -91.000 HIS 115 0.900 25.968 25.875 34.756 -99.200 -91.000 PHE 121 1.000 30.806 27.863 52.197 -99.200 -91.000 TRP 135 1.040 23.250 18.311 53.969 -99.200 -91.000 TRP6 135 1.020 23.373 20.601 54.497 -99.200 -91.000 TYR 143 0.840 6.671 29.656 49.912 -99.200 -91.000 HIS 155 0.900 18.656 20.146 55.669 -99.200 -91.000 HIS 164 0.900 22.544 22.249 65.204 -99.200 -91.000 HIS 165 0.900 28.524 25.847 62.619 -99.200 -91.000 PHE 169 1.000 19.627 23.494 51.867 -99.200 -91.000 TYR 173 0.840 11.993 23.410 43.947 -99.200 -91.000 TYR 184 0.840 0.033 28.417 50.931 -99.200 -91.000 HIS 185 0.900 3.318 20.584 48.118 -99.200 -91.000 PHE 186 1.000 4.207 21.581 55.911 -99.200 -91.000 HIS 189 0.900 13.761 17.473 50.964 -99.200 -91.000 HIS 196 0.900 33.547 8.827 52.550 -99.200 -91.000 TYR 200 0.840 33.907 12.505 51.570 -99.200 -91.000 TYR 206 0.840 18.240 5.969 49.653 -99.200 -91.000