============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. HIS 4 0.900 99.705 76.065 66.813 -99.200 -91.000 PHE 12 1.000 90.358 85.191 66.393 -99.200 -91.000 TYR 27 0.840 95.131 98.416 79.988 -99.200 -91.000 PHE 32 1.000 92.622 101.631 74.797 -99.200 -91.000 PHE 48 1.000 90.477 88.937 75.810 -99.200 -91.000 TYR 52 0.840 87.982 102.671 69.128 -99.200 -91.000 HIS 62 0.900 103.076 89.280 68.432 -99.200 -91.000 TYR 72 0.840 99.626 82.167 68.543 -99.200 -91.000 PHE 80 1.000 90.314 80.908 63.332 -99.200 -91.000 HIS 97 0.900 118.803 113.765 68.615 -99.200 -91.000 PHE 120 1.000 112.037 87.512 47.181 -99.200 -91.000 HIS 123 0.900 118.231 85.398 45.078 -99.200 -91.000 PHE 125 1.000 109.382 89.853 51.051 -99.200 -91.000 PHE 131 1.000 101.541 104.887 50.911 -99.200 -91.000 PHE 154 1.000 118.167 93.494 63.294 -99.200 -91.000 PHE 159 1.000 115.433 91.419 75.326 -99.200 -91.000 TYR 160 0.840 118.736 88.616 77.498 -99.200 -91.000 PHE 167 1.000 121.991 95.919 70.218 -99.200 -91.000 TYR 173 0.840 123.729 100.950 56.891 -99.200 -91.000 TYR 186 0.840 105.834 94.636 58.368 -99.200 -91.000 PHE 192 1.000 100.338 81.480 54.298 -99.200 -91.000 HIS 205 0.900 118.354 105.155 73.729 -99.200 -91.000 HIS 209 0.900 123.192 100.982 79.214 -99.200 -91.000 PHE 221 1.000 105.101 100.704 76.746 -99.200 -91.000