============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. HIS 7 0.900 8.982 17.280 26.570 -99.200 -91.000 TRP 13 1.040 7.608 9.863 32.339 -99.200 -91.000 TRP6 13 1.020 6.787 9.304 34.481 -99.200 -91.000 PHE 35 1.000 14.109 -2.239 9.522 -99.200 -91.000 TYR 36 0.840 15.382 -6.272 13.692 -99.200 -91.000 PHE 37 1.000 18.148 -1.392 19.378 -99.200 -91.000 HIS 60 0.900 19.121 -12.497 18.752 -99.200 -91.000