============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 27 0.840 28.045 23.186 28.073 -99.200 -91.000 TYR 35 0.840 24.095 49.683 36.209 -99.200 -91.000 PHE 49 1.000 33.044 38.566 31.481 -99.200 -91.000 PHE 53 1.000 35.235 34.649 28.962 -99.200 -91.000 PHE 61 1.000 25.174 48.756 32.359 -99.200 -91.000 PHE 78 1.000 24.305 50.916 23.009 -99.200 -91.000 HIS 88 0.900 12.944 48.852 34.646 -99.200 -91.000 PHE 90 1.000 5.543 51.764 35.991 -99.200 -91.000 PHE 111 1.000 17.738 42.229 23.840 -99.200 -91.000 HIS 118 0.900 10.622 42.301 41.082 -99.200 -91.000 PHE 124 1.000 3.159 50.307 42.990 -99.200 -91.000 TYR 144 0.840 9.251 44.109 22.533 -99.200 -91.000 PHE 166 1.000 16.491 37.232 20.764 -99.200 -91.000 PHE 185 1.000 3.949 30.728 26.218 -99.200 -91.000 TYR 196 0.840 25.587 34.071 39.650 -99.200 -91.000