============================================================================= 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. TYR 2 0.840 62.516 -32.744 58.432 -99.200 -91.000 PHE 3 1.000 69.460 -32.843 52.087 -99.200 -91.000 HIS 7 0.900 75.565 -26.874 45.211 -99.200 -91.000 PHE 34 1.000 79.175 -24.393 61.070 -99.200 -91.000 PHE 39 1.000 75.080 -20.442 54.322 -99.200 -91.000 PHE 48 1.000 91.654 -23.470 43.524 -99.200 -91.000 TYR 54 0.840 95.199 -17.933 32.556 -99.200 -91.000 TYR 65 0.840 90.467 -14.458 35.530 -99.200 -91.000 HIS 67 0.900 83.774 -14.689 39.789 -99.200 -91.000 TYR 117 0.840 68.954 -26.815 45.619 -99.200 -91.000