============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. HIS 1 0.900 30.853 65.108 1.915 -99.200 -91.000 PHE 6 1.000 25.186 69.997 -2.026 -99.200 -91.000 PHE 13 1.000 16.950 50.357 10.376 -99.200 -91.000 HIS 24 0.900 10.165 29.029 20.702 -99.200 -91.000 TYR 25 0.840 10.376 29.189 12.661 -99.200 -91.000 PHE 26 1.000 14.235 33.408 16.742 -99.200 -91.000 PHE 37 1.000 27.451 59.917 5.231 -99.200 -91.000 PHE 55 1.000 15.130 33.001 22.153 -99.200 -91.000 PHE 57 1.000 14.835 41.535 20.845 -99.200 -91.000 HIS 58 0.900 18.314 41.625 27.134 -99.200 -91.000