============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. HIS 2 0.900 18.954 -2.101 1.903 -99.200 -91.000 HIS 11 0.900 15.819 7.218 -17.696 -99.200 -91.000 HIS 21 0.900 -0.581 8.383 -20.488 -99.200 -91.000 PHE 23 1.000 -5.199 6.423 -23.981 -99.200 -91.000 TYR 34 0.840 -3.795 1.166 -23.272 -99.200 -91.000 TRP 38 1.040 5.445 3.025 -15.215 -99.200 -91.000 TRP6 38 1.020 4.373 5.124 -15.555 -99.200 -91.000 PHE 43 1.000 3.982 4.845 -19.810 -99.200 -91.000 PHE 45 1.000 -0.670 3.813 -27.060 -99.200 -91.000 HIS 50 0.900 6.857 -6.909 -22.224 -99.200 -91.000 HIS 53 0.900 12.095 -4.256 -15.415 -99.200 -91.000