============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 7 1.040 52.940 26.027 29.807 -99.200 -91.000 TRP6 7 1.020 51.863 26.371 31.871 -99.200 -91.000 TRP 14 1.040 55.250 22.597 41.455 -99.200 -91.000 TRP6 14 1.020 54.251 24.357 42.671 -99.200 -91.000 HIS 24 0.900 59.127 24.847 48.836 -99.200 -91.000 PHE 33 1.000 46.215 31.519 56.870 -99.200 -91.000 HIS 36 0.900 47.271 40.255 51.444 -99.200 -91.000 PHE 43 1.000 42.258 28.259 55.151 -99.200 -91.000 PHE 46 1.000 44.310 25.890 59.390 -99.200 -91.000 HIS 48 0.900 43.541 26.907 66.418 -99.200 -91.000 HIS 64 0.900 44.377 23.720 53.454 -99.200 -91.000 HIS 81 0.900 46.028 21.825 26.224 -99.200 -91.000 HIS 82 0.900 44.649 25.188 33.714 -99.200 -91.000 HIS 93 0.900 39.301 26.002 46.722 -99.200 -91.000 HIS 97 0.900 36.702 24.658 50.572 -99.200 -91.000 TYR 103 0.840 40.041 36.693 50.876 -99.200 -91.000 PHE 106 1.000 44.546 39.771 49.181 -99.200 -91.000 HIS 119 0.900 63.414 27.031 46.317 -99.200 -91.000 PHE 123 1.000 60.313 32.787 41.350 -99.200 -91.000 PHE 138 1.000 44.802 28.477 40.542 -99.200 -91.000 TYR 146 0.840 35.531 31.185 42.093 -99.200 -91.000 PHE 151 1.000 28.827 30.413 43.320 -99.200 -91.000