============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TRP 3 1.040 39.326 29.309 25.339 -99.200 -91.000 TRP6 3 1.020 41.491 28.569 25.962 -99.200 -91.000 TRP 6 1.040 40.702 22.112 19.378 -99.200 -91.000 TRP6 6 1.020 41.012 22.578 17.088 -99.200 -91.000 PHE 9 1.000 42.215 11.034 16.493 -99.200 -91.000 HIS 18 0.900 49.274 9.830 13.373 -99.200 -91.000 HIS 20 0.900 40.411 9.884 21.186 -99.200 -91.000 HIS 25 0.900 36.975 22.029 26.304 -99.200 -91.000 HIS 34 0.900 52.621 25.285 19.786 -99.200 -91.000 TYR 39 0.840 46.538 14.337 25.603 -99.200 -91.000 TRP 49 1.040 47.706 13.227 12.202 -99.200 -91.000 TRP6 49 1.020 46.606 11.439 11.148 -99.200 -91.000