============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 7 0.900 -8.345 -13.770 14.150 -99.200 -91.000 HIS 11 0.900 -5.936 -4.502 11.550 -99.200 -91.000 PHE 12 1.000 2.403 -4.507 12.141 -99.200 -91.000 PHE 33 1.000 4.444 -8.346 8.775 -99.200 -91.000 HIS 35 0.900 7.814 -16.785 3.479 -99.200 -91.000 PHE 36 1.000 7.974 -11.903 11.759 -99.200 -91.000 TRP 37 1.040 3.912 -15.001 12.314 -99.200 -91.000 TRP6 37 1.020 4.989 -15.081 14.419 -99.200 -91.000 PHE 41 1.000 11.170 -13.334 6.102 -99.200 -91.000 HIS 45 0.900 16.756 -9.476 4.021 -99.200 -91.000 PHE 59 1.000 -2.331 -0.698 11.801 -99.200 -91.000 HIS 69 0.900 1.808 4.197 23.335 -99.200 -91.000 HIS 70 0.900 5.786 -1.380 27.386 -99.200 -91.000 TYR 76 0.840 -3.095 -3.895 16.215 -99.200 -91.000 PHE 80 1.000 -6.603 -7.704 15.845 -99.200 -91.000 HIS 95 0.900 10.123 -3.055 27.664 -99.200 -91.000 PHE 101 1.000 18.638 -8.119 19.782 -99.200 -91.000 PHE 118 1.000 6.481 -11.306 19.091 -99.200 -91.000 TYR 141 0.840 -11.319 -8.381 12.033 -99.200 -91.000