============================================================================= 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 24 0.840 30.386 23.258 45.398 -99.200 -91.000 TYR 32 0.840 34.028 49.761 37.437 -99.200 -91.000 PHE 46 1.000 25.131 38.571 42.200 -99.200 -91.000 PHE 50 1.000 23.012 34.607 44.772 -99.200 -91.000 PHE 58 1.000 33.140 48.720 41.191 -99.200 -91.000 PHE 75 1.000 33.988 50.977 50.612 -99.200 -91.000 HIS 85 0.900 45.266 48.890 39.010 -99.200 -91.000 PHE 87 1.000 52.370 51.869 37.882 -99.200 -91.000 PHE 108 1.000 40.534 42.206 49.703 -99.200 -91.000 HIS 115 0.900 47.591 42.346 32.608 -99.200 -91.000 PHE 121 1.000 55.078 50.503 30.887 -99.200 -91.000 TYR 141 0.840 48.905 44.062 51.104 -99.200 -91.000 PHE 163 1.000 41.633 37.248 52.793 -99.200 -91.000 PHE 182 1.000 54.213 30.689 47.362 -99.200 -91.000 TYR 193 0.840 32.612 34.057 33.996 -99.200 -91.000