============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. TYR 4 0.840 0.460 -12.316 24.152 -99.200 -91.000 TYR 8 0.840 -0.951 -22.068 28.107 -99.200 -91.000 PHE 22 1.000 29.053 -5.655 38.012 -99.200 -91.000 HIS 23 0.900 38.807 -9.133 37.739 -99.200 -91.000 PHE 45 1.000 7.607 -9.712 37.817 -99.200 -91.000 TYR 50 0.840 4.786 -14.239 35.932 -99.200 -91.000 HIS 75 0.900 10.036 -22.310 29.609 -99.200 -91.000 PHE 81 1.000 11.915 -16.764 30.474 -99.200 -91.000 HIS 88 0.900 28.209 -0.390 33.202 -99.200 -91.000 PHE 95 1.000 29.976 -4.425 30.991 -99.200 -91.000 PHE 109 1.000 20.956 -19.162 24.651 -99.200 -91.000 PHE 110 1.000 14.589 -17.620 27.035 -99.200 -91.000 PHE 125 1.000 14.087 -11.910 27.448 -99.200 -91.000