============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 3 1.000 28.767 40.917 40.278 -99.200 -91.000 HIS 24 0.900 19.435 49.078 50.592 -99.200 -91.000 PHE 25 1.000 23.507 43.082 47.897 -99.200 -91.000 TRP 26 1.040 15.876 46.338 47.879 -99.200 -91.000 TRP6 26 1.020 13.622 46.070 47.199 -99.200 -91.000 TRP 29 1.040 10.558 38.729 52.668 -99.200 -91.000 TRP6 29 1.020 11.803 38.092 54.572 -99.200 -91.000 PHE 40 1.000 18.903 52.965 50.222 -99.200 -91.000 PHE 43 1.000 21.292 58.927 47.726 -99.200 -91.000 TYR 44 0.840 16.796 57.557 41.355 -99.200 -91.000 HIS 47 0.900 21.465 63.058 40.324 -99.200 -91.000 PHE 72 1.000 7.676 46.413 48.373 -99.200 -91.000 PHE 80 1.000 14.777 52.696 45.221 -99.200 -91.000 TYR 93 0.840 29.445 43.153 46.233 -99.200 -91.000 HIS 94 0.900 32.095 37.177 50.910 -99.200 -91.000 PHE 102 1.000 28.354 45.671 50.859 -99.200 -91.000 TRP 125 1.040 28.078 56.109 53.361 -99.200 -91.000 TRP6 125 1.020 27.337 53.918 52.910 -99.200 -91.000