============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. TYR 13 0.840 6.776 31.255 32.347 -99.200 -91.000 PHE 15 1.000 10.154 31.457 35.942 -99.200 -91.000 HIS 23 0.900 13.561 35.950 45.624 -99.200 -91.000 HIS 27 0.900 16.414 25.072 52.669 -99.200 -91.000 PHE 30 1.000 22.879 29.387 47.734 -99.200 -91.000 TYR 34 0.840 17.392 36.198 46.466 -99.200 -91.000 PHE 41 1.000 1.367 34.123 52.302 -99.200 -91.000 TYR 54 0.840 -9.124 19.264 37.642 -99.200 -91.000 PHE 56 1.000 -17.850 26.215 40.815 -99.200 -91.000 HIS 57 0.900 -15.329 25.696 36.153 -99.200 -91.000 PHE 59 1.000 -15.325 15.562 41.643 -99.200 -91.000 PHE 80 1.000 1.386 20.955 45.535 -99.200 -91.000 PHE 92 1.000 17.271 21.835 37.411 -99.200 -91.000 HIS 123 0.900 -0.628 35.075 40.560 -99.200 -91.000 PHE 128 1.000 -5.612 31.661 38.793 -99.200 -91.000 PHE 130 1.000 2.131 31.361 30.276 -99.200 -91.000 PHE 143 1.000 -0.502 13.107 41.986 -99.200 -91.000