============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 1 0.900 -36.104 41.281 50.688 -99.200 -91.000 PHE 2 1.000 -39.346 40.471 37.391 -99.200 -91.000 TYR 9 0.840 -43.727 29.316 33.436 -99.200 -91.000 TYR 16 0.840 -28.441 17.525 34.679 -99.200 -91.000 HIS 22 0.900 -27.629 13.638 42.194 -99.200 -91.000 PHE 23 1.000 -32.255 13.675 35.092 -99.200 -91.000 HIS 42 0.900 -42.229 8.595 42.000 -99.200 -91.000 PHE 45 1.000 -40.450 17.952 39.699 -99.200 -91.000 TYR 56 0.840 -48.649 27.588 43.391 -99.200 -91.000 TYR 65 0.840 -49.364 22.416 43.955 -99.200 -91.000 TYR 75 0.840 -43.416 21.160 52.819 -99.200 -91.000 PHE 86 1.000 -39.745 26.959 45.801 -99.200 -91.000 HIS 94 0.900 -25.657 31.096 29.284 -99.200 -91.000 TYR 95 0.840 -26.393 26.293 34.508 -99.200 -91.000 TYR 98 0.840 -36.856 27.014 39.636 -99.200 -91.000 HIS 103 0.900 -38.855 30.978 54.809 -99.200 -91.000 TRP 108 1.040 -33.294 30.598 53.956 -99.200 -91.000 TRP6 108 1.020 -34.845 29.733 55.523 -99.200 -91.000 PHE 109 1.000 -30.566 31.312 45.978 -99.200 -91.000 HIS 125 0.900 -23.361 30.108 49.629 -99.200 -91.000 TYR 126 0.840 -28.340 35.357 44.316 -99.200 -91.000 PHE 133 1.000 -32.189 22.817 40.692 -99.200 -91.000