============================================================================= 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 -12.193 51.206 33.834 -99.200 -91.000 TYR 8 0.840 -21.788 54.194 37.117 -99.200 -91.000 PHE 22 1.000 -6.136 28.668 55.910 -99.200 -91.000 HIS 23 0.900 -10.220 19.656 59.163 -99.200 -91.000 PHE 45 1.000 -9.913 48.671 49.203 -99.200 -91.000 TYR 50 0.840 -14.373 50.987 46.360 -99.200 -91.000 HIS 75 0.900 -22.358 44.373 41.802 -99.200 -91.000 PHE 81 1.000 -16.860 42.598 43.410 -99.200 -91.000 HIS 88 0.900 -1.481 29.324 54.626 -99.200 -91.000 PHE 95 1.000 -4.891 25.421 49.666 -99.200 -91.000 PHE 109 1.000 -19.319 32.114 40.623 -99.200 -91.000 PHE 110 1.000 -17.826 39.000 41.011 -99.200 -91.000 PHE 125 1.000 -12.016 39.569 41.276 -99.200 -91.000