NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
649284 | 6pv3 | 30644 | cing | 3-converted-DOCR | XPLOR/CNS | distance | general distance | ambi |
assi ( segid " A" and resid 2 and name HD# ) ( segid " A" and resid 2 and name HE# ) 1.837 0.422 0.422 or (( segid " A" and resid 6 and name HH2 )) (( segid " A" and resid 6 and name HZ2 )) assi (( segid " A" and resid 18 and name HN )) (( segid " A" and resid 18 and name HB1 )) 2.055 0.528 0.528 assi (( segid " A" and resid 18 and name HB1 )) (( segid " A" and resid 18 and name HA )) 2.253 0.634 0.634 assi (( segid " A" and resid 9 and name HN )) (( segid " A" and resid 8 and name HA2 )) 2.274 0.647 0.647 or (( segid " A" and resid 8 and name HN )) (( segid " A" and resid 8 and name HA2 )) assi ( segid " A" and resid 23 and name HE# ) ( segid " A" and resid 19 and name HD1#) 2.429 0.737 0.737 or (( segid " A" and resid 2 and name HB1 )) ( segid " A" and resid 19 and name HD1#) or (( segid " A" and resid 19 and name HA )) ( segid " A" and resid 19 and name HD1#) assi (( segid " A" and resid 26 and name HN )) (( segid " A" and resid 26 and name HB1 )) 2.432 0.739 0.739 assi (( segid " A" and resid 19 and name HN )) (( segid " A" and resid 18 and name HA )) 2.462 0.758 0.758 or (( segid " A" and resid 18 and name HN )) (( segid " A" and resid 18 and name HA )) assi (( segid " A" and resid 8 and name HA1 )) (( segid " A" and resid 9 and name HN )) 2.500 0.781 0.781 or (( segid " A" and resid 8 and name HA1 )) (( segid " A" and resid 8 and name HN )) assi (( segid " A" and resid 23 and name HD2 )) ( segid " A" and resid 23 and name HB# ) 2.514 0.790 0.790 or ( segid " A" and resid 15 and name HG# ) (( segid " A" and resid 15 and name HB2 )) assi ( segid " A" and resid 15 and name HG# ) (( segid " A" and resid 16 and name HN )) 2.559 0.818 0.818 or ( segid " A" and resid 11 and name HG# ) (( segid " A" and resid 10 and name HN )) assi (( segid " A" and resid 19 and name HN )) (( segid " A" and resid 13 and name HB2 )) 2.594 0.841 0.841 or (( segid " A" and resid 18 and name HN )) (( segid " A" and resid 18 and name HG1 )) or (( segid " A" and resid 6 and name HE3 )) (( segid " A" and resid 6 and name HB2 )) assi (( segid " A" and resid 26 and name HA )) (( segid " A" and resid 26 and name HN )) 2.608 0.850 0.850 assi (( segid " A" and resid 29 and name HA )) (( segid " A" and resid 29 and name HG2 )) 2.664 0.887 0.887 or (( segid " A" and resid 26 and name HA )) (( segid " A" and resid 26 and name HB1 )) assi (( segid " A" and resid 19 and name HN )) (( segid " A" and resid 18 and name HB2 )) 2.685 0.901 0.901 or (( segid " A" and resid 18 and name HN )) (( segid " A" and resid 18 and name HB2 )) assi (( segid " A" and resid 29 and name HA )) (( segid " A" and resid 30 and name HN )) 2.702 0.913 0.913 or (( segid " A" and resid 29 and name HA )) (( segid " A" and resid 29 and name HN )) assi ( segid " A" and resid 19 and name HD2#) (( segid " A" and resid 4 and name HB1 )) 2.711 0.919 0.919 or ( segid " A" and resid 19 and name HD2#) (( segid " A" and resid 13 and name HB1 )) assi (( segid " A" and resid 18 and name HB1 )) ( segid " A" and resid 13 and name HE# ) 2.790 0.973 0.973 assi (( segid " A" and resid 4 and name HB2 )) ( segid " A" and resid 13 and name HD# ) 2.844 1.011 1.011 assi (( segid " A" and resid 26 and name HN )) (( segid " A" and resid 26 and name HB2 )) 2.861 1.023 1.023 or (( segid " A" and resid 6 and name HH2 )) (( segid " A" and resid 26 and name HB2 )) assi (( segid " A" and resid 23 and name HA )) (( segid " A" and resid 26 and name HN )) 2.866 1.026 1.026 assi (( segid " A" and resid 13 and name HB1 )) ( segid " A" and resid 13 and name HE# ) 2.879 1.036 1.036 assi (( segid " A" and resid 22 and name HB1 )) (( segid " A" and resid 18 and name HB1 )) 2.893 1.046 1.046 assi (( segid " A" and resid 4 and name HB2 )) (( segid " A" and resid 11 and name HN )) 2.910 1.058 1.058 assi (( segid " A" and resid 19 and name HG )) (( segid " A" and resid 20 and name HN )) 3.103 1.204 1.204 assi (( segid " A" and resid 18 and name HN )) ( segid " A" and resid 15 and name HG# ) 3.110 1.209 1.209 or (( segid " A" and resid 6 and name HE3 )) (( segid " A" and resid 23 and name HD2 )) assi (( segid " A" and resid 1 and name HB1 )) ( segid " A" and resid 1 and name HD# ) 3.145 1.236 1.236 assi (( segid " A" and resid 26 and name HE1 )) (( segid " A" and resid 9 and name HB2 )) 3.151 1.241 1.241 or (( segid " A" and resid 11 and name HN )) (( segid " A" and resid 9 and name HB2 )) assi ( segid " A" and resid 23 and name HE# ) (( segid " A" and resid 22 and name HD2 )) 3.156 1.245 1.245 or (( segid " A" and resid 19 and name HA )) (( segid " A" and resid 22 and name HD2 )) assi (( segid " A" and resid 13 and name HB2 )) ( segid " A" and resid 13 and name HE# ) 3.162 1.250 1.250 or (( segid " A" and resid 18 and name HG1 )) ( segid " A" and resid 13 and name HE# ) assi (( segid " A" and resid 9 and name HN )) (( segid " A" and resid 7 and name H )) 3.165 1.252 1.252 or (( segid " A" and resid 8 and name HN )) (( segid " A" and resid 7 and name H )) assi (( segid " A" and resid 29 and name HB1 )) (( segid " A" and resid 30 and name HN )) 3.199 1.279 1.279 or (( segid " A" and resid 29 and name HB1 )) (( segid " A" and resid 29 and name HN )) assi (( segid " A" and resid 10 and name HA1 )) (( segid " A" and resid 9 and name HB1 )) 3.210 1.288 1.288 or (( segid " A" and resid 8 and name HA1 )) (( segid " A" and resid 9 and name HB1 )) assi ( segid " A" and resid 25 and name HG2#) (( segid " A" and resid 26 and name HE1 )) 3.288 1.351 1.351 assi (( segid " A" and resid 16 and name HA )) (( segid " A" and resid 18 and name HB1 )) 3.304 1.364 1.364 assi (( segid " A" and resid 13 and name HB1 )) (( segid " A" and resid 19 and name HN )) 3.326 1.383 1.383 or (( segid " A" and resid 13 and name HB1 )) (( segid " A" and resid 18 and name HN )) assi ( segid " A" and resid 23 and name HE# ) (( segid " A" and resid 23 and name HN )) 3.353 1.405 1.405 or (( segid " A" and resid 19 and name HA )) (( segid " A" and resid 23 and name HN )) assi (( segid " A" and resid 1 and name HB2 )) (( segid " A" and resid 14 and name HA )) 3.466 1.502 1.502 or ( segid " A" and resid 15 and name HG# ) (( segid " A" and resid 14 and name HA )) assi ( segid " A" and resid 13 and name HE# ) (( segid " A" and resid 22 and name HN )) 3.480 1.513 1.513 assi (( segid " A" and resid 6 and name HD1 )) (( segid " A" and resid 9 and name HN )) 3.530 1.557 1.557 or (( segid " A" and resid 6 and name HD1 )) (( segid " A" and resid 8 and name HN )) assi (( segid " A" and resid 19 and name HG )) (( segid " A" and resid 19 and name HN )) 3.592 1.613 1.613 assi (( segid " A" and resid 28 and name HA2 )) (( segid " A" and resid 28 and name HA1 )) 1.603 0.321 0.321 assi (( segid " A" and resid 18 and name HG1 )) (( segid " A" and resid 18 and name HG2 )) 1.653 0.341 0.341 assi (( segid " A" and resid 20 and name HB2 )) (( segid " A" and resid 20 and name HB1 )) 1.658 0.343 0.343 assi (( segid " A" and resid 15 and name HD2 )) (( segid " A" and resid 15 and name HD1 )) 1.673 0.350 0.350 assi (( segid " A" and resid 29 and name HB2 )) (( segid " A" and resid 29 and name HB1 )) 1.685 0.355 0.355 assi (( segid " A" and resid 1 and name HG1 )) (( segid " A" and resid 1 and name HG2 )) 1.685 0.355 0.355 assi (( segid " A" and resid 15 and name HB1 )) (( segid " A" and resid 15 and name HB2 )) 1.728 0.373 0.373 assi (( segid " A" and resid 10 and name HA2 )) (( segid " A" and resid 10 and name HA1 )) 1.729 0.374 0.374 assi (( segid " A" and resid 30 and name HB2 )) (( segid " A" and resid 30 and name HB1 )) 1.734 0.376 0.376 assi (( segid " A" and resid 1 and name HB2 )) (( segid " A" and resid 1 and name HG2 )) 1.741 0.379 0.379 assi (( segid " A" and resid 2 and name HZ )) ( segid " A" and resid 2 and name HE# ) 1.804 0.407 0.407 assi (( segid " A" and resid 4 and name HB2 )) (( segid " A" and resid 4 and name HB1 )) 1.833 0.420 0.420 assi (( segid " A" and resid 9 and name HB2 )) (( segid " A" and resid 9 and name HB1 )) 1.835 0.421 0.421 assi (( segid " A" and resid 6 and name HB2 )) (( segid " A" and resid 6 and name HB1 )) 1.839 0.423 0.423 assi (( segid " A" and resid 13 and name HB1 )) (( segid " A" and resid 13 and name HB2 )) 1.886 0.445 0.445 assi (( segid " A" and resid 2 and name HB2 )) (( segid " A" and resid 2 and name HB1 )) 1.886 0.445 0.445 assi (( segid " A" and resid 26 and name HB2 )) (( segid " A" and resid 26 and name HB1 )) 1.889 0.446 0.446 assi (( segid " A" and resid 22 and name HB2 )) (( segid " A" and resid 22 and name HB1 )) 1.901 0.452 0.452 assi (( segid " A" and resid 18 and name HB1 )) (( segid " A" and resid 18 and name HB2 )) 1.921 0.461 0.461 assi ( segid " A" and resid 13 and name HE# ) ( segid " A" and resid 13 and name HD# ) 1.927 0.464 0.464 assi (( segid " A" and resid 23 and name HD2 )) (( segid " A" and resid 23 and name HD1 )) 1.938 0.469 0.469 assi (( segid " A" and resid 19 and name HB2 )) (( segid " A" and resid 19 and name HB1 )) 1.961 0.481 0.481 assi (( segid " A" and resid 16 and name HB2 )) (( segid " A" and resid 16 and name HB1 )) 1.961 0.481 0.481 assi (( segid " A" and resid 20 and name HE21)) (( segid " A" and resid 20 and name HE22)) 1.974 0.487 0.487 assi (( segid " A" and resid 6 and name HZ3 )) (( segid " A" and resid 6 and name HH2 )) 1.988 0.494 0.494 assi (( segid " A" and resid 29 and name HB1 )) (( segid " A" and resid 29 and name HG2 )) 2.043 0.522 0.522 assi (( segid " A" and resid 13 and name HZ )) ( segid " A" and resid 13 and name HE# ) 2.069 0.535 0.535 assi (( segid " A" and resid 30 and name HD2 )) (( segid " A" and resid 30 and name HD1 )) 2.101 0.552 0.552 assi (( segid " A" and resid 1 and name HB1 )) (( segid " A" and resid 1 and name HB2 )) 2.108 0.555 0.555 assi ( segid " A" and resid 23 and name HG# ) (( segid " A" and resid 23 and name HD2 )) 2.136 0.570 0.570 assi (( segid " A" and resid 5 and name HB )) ( segid " A" and resid 5 and name HG2#) 2.137 0.571 0.571 assi (( segid " A" and resid 13 and name HB2 )) ( segid " A" and resid 13 and name HD# ) 2.144 0.574 0.574 assi (( segid " A" and resid 19 and name HB1 )) (( segid " A" and resid 16 and name HA )) 2.155 0.581 0.581 assi ( segid " A" and resid 11 and name HD# ) ( segid " A" and resid 11 and name HG# ) 2.158 0.582 0.582 assi (( segid " A" and resid 6 and name HZ3 )) (( segid " A" and resid 6 and name HE3 )) 2.159 0.583 0.583 assi (( segid " A" and resid 23 and name HA )) (( segid " A" and resid 26 and name HD2 )) 2.175 0.591 0.591 assi (( segid " A" and resid 6 and name HA )) (( segid " A" and resid 7 and name H )) 2.183 0.596 0.596 assi (( segid " A" and resid 13 and name HB1 )) ( segid " A" and resid 13 and name HD# ) 2.187 0.598 0.598 assi ( segid " A" and resid 11 and name HB# ) ( segid " A" and resid 11 and name HG# ) 2.193 0.601 0.601 assi (( segid " A" and resid 2 and name HB1 )) ( segid " A" and resid 2 and name HD# ) 2.202 0.606 0.606 assi (( segid " A" and resid 9 and name HB2 )) (( segid " A" and resid 10 and name HN )) 2.206 0.608 0.608 assi (( segid " A" and resid 18 and name HB1 )) (( segid " A" and resid 18 and name HG1 )) 2.208 0.609 0.609 assi (( segid " A" and resid 2 and name HB2 )) ( segid " A" and resid 2 and name HD# ) 2.219 0.615 0.615 assi ( segid " A" and resid 30 and name HE# ) (( segid " A" and resid 30 and name HD1 )) 2.220 0.616 0.616 assi (( segid " A" and resid 25 and name HA )) (( segid " A" and resid 25 and name HB )) 2.225 0.619 0.619 assi (( segid " A" and resid 1 and name HG2 )) ( segid " A" and resid 1 and name HD# ) 2.237 0.626 0.626 assi (( segid " A" and resid 19 and name HG )) ( segid " A" and resid 19 and name HD1#) 2.238 0.626 0.626 assi ( segid " A" and resid 23 and name HB# ) (( segid " A" and resid 23 and name HA )) 2.246 0.631 0.631 assi (( segid " A" and resid 1 and name HG1 )) ( segid " A" and resid 1 and name HD# ) 2.251 0.633 0.633 assi (( segid " A" and resid 8 and name HA2 )) (( segid " A" and resid 8 and name HA1 )) 2.254 0.635 0.635 assi (( segid " A" and resid 15 and name HA )) (( segid " A" and resid 16 and name HN )) 2.275 0.647 0.647 assi (( segid " A" and resid 19 and name HG )) ( segid " A" and resid 19 and name HD2#) 2.288 0.654 0.654 assi ( segid " A" and resid 11 and name HB# ) (( segid " A" and resid 11 and name HN )) 2.289 0.655 0.655 assi (( segid " A" and resid 22 and name HA )) (( segid " A" and resid 22 and name HB2 )) 2.298 0.660 0.660 assi (( segid " A" and resid 10 and name HA2 )) (( segid " A" and resid 10 and name HN )) 2.303 0.663 0.663 assi (( segid " A" and resid 5 and name HA )) ( segid " A" and resid 5 and name HG2#) 2.310 0.667 0.667 assi (( segid " A" and resid 19 and name HB2 )) (( segid " A" and resid 19 and name HA )) 2.320 0.673 0.673 assi (( segid " A" and resid 20 and name HB1 )) ( segid " A" and resid 20 and name HG# ) 2.322 0.674 0.674 assi ( segid " A" and resid 20 and name HG# ) (( segid " A" and resid 20 and name HA )) 2.323 0.675 0.675 assi (( segid " A" and resid 19 and name HA )) ( segid " A" and resid 19 and name HD2#) 2.325 0.676 0.676 assi (( segid " A" and resid 22 and name HB1 )) (( segid " A" and resid 22 and name HN )) 2.332 0.680 0.680 assi ( segid " A" and resid 25 and name HG2#) (( segid " A" and resid 25 and name HB )) 2.332 0.680 0.680 assi (( segid " A" and resid 6 and name HB1 )) (( segid " A" and resid 6 and name HN )) 2.339 0.684 0.684 assi (( segid " A" and resid 19 and name HB2 )) (( segid " A" and resid 19 and name HG )) 2.357 0.694 0.694 assi (( segid " A" and resid 19 and name HN )) (( segid " A" and resid 19 and name HB1 )) 2.361 0.697 0.697 assi (( segid " A" and resid 6 and name HD1 )) (( segid " A" and resid 6 and name HE1 )) 2.371 0.702 0.702 assi (( segid " A" and resid 18 and name HG2 )) (( segid " A" and resid 18 and name HA )) 2.385 0.711 0.711 assi (( segid " A" and resid 19 and name HB1 )) (( segid " A" and resid 19 and name HG )) 2.387 0.712 0.712 assi (( segid " A" and resid 4 and name HA )) (( segid " A" and resid 4 and name HB2 )) 2.402 0.721 0.721 assi (( segid " A" and resid 9 and name HN )) (( segid " A" and resid 9 and name HB2 )) 2.407 0.724 0.724 assi (( segid " A" and resid 2 and name HA )) (( segid " A" and resid 2 and name HB1 )) 2.410 0.726 0.726 assi (( segid " A" and resid 20 and name HB2 )) ( segid " A" and resid 20 and name HG# ) 2.411 0.727 0.727 assi (( segid " A" and resid 4 and name HB2 )) (( segid " A" and resid 22 and name HD2 )) 2.417 0.730 0.730 assi ( segid " A" and resid 14 and name HG2#) ( segid " A" and resid 15 and name HG# ) 2.421 0.732 0.732 assi (( segid " A" and resid 9 and name HB1 )) (( segid " A" and resid 9 and name HN )) 2.425 0.735 0.735 assi (( segid " A" and resid 15 and name HD2 )) ( segid " A" and resid 15 and name HG# ) 2.437 0.742 0.742 assi (( segid " A" and resid 22 and name HB2 )) (( segid " A" and resid 22 and name HN )) 2.439 0.743 0.743 assi (( segid " A" and resid 4 and name HB2 )) ( segid " A" and resid 13 and name HE# ) 2.444 0.747 0.747 assi ( segid " A" and resid 25 and name HG2#) (( segid " A" and resid 25 and name HA )) 2.447 0.749 0.749 assi (( segid " A" and resid 16 and name HA )) (( segid " A" and resid 16 and name HB1 )) 2.450 0.750 0.750 assi (( segid " A" and resid 15 and name HA )) (( segid " A" and resid 15 and name HB1 )) 2.450 0.750 0.750 assi ( segid " A" and resid 23 and name HB# ) ( segid " A" and resid 23 and name HG# ) 2.453 0.752 0.752 assi (( segid " A" and resid 18 and name HA )) (( segid " A" and resid 18 and name HB2 )) 2.454 0.753 0.753 assi ( segid " A" and resid 15 and name HG# ) (( segid " A" and resid 15 and name HB1 )) 2.454 0.753 0.753 assi ( segid " A" and resid 11 and name HB# ) ( segid " A" and resid 13 and name HE# ) 2.463 0.759 0.759 assi (( segid " A" and resid 2 and name HA )) ( segid " A" and resid 2 and name HD# ) 2.465 0.760 0.760 assi ( segid " A" and resid 13 and name HD# ) ( segid " A" and resid 19 and name HD2#) 2.467 0.760 0.760 assi (( segid " A" and resid 4 and name HB1 )) (( segid " A" and resid 4 and name HN )) 2.471 0.763 0.763 assi (( segid " A" and resid 4 and name HB2 )) ( segid " A" and resid 19 and name HD2#) 2.473 0.764 0.764 assi (( segid " A" and resid 19 and name HB1 )) ( segid " A" and resid 19 and name HD1#) 2.473 0.764 0.764 assi (( segid " A" and resid 6 and name HB2 )) (( segid " A" and resid 6 and name HN )) 2.476 0.766 0.766 assi (( segid " A" and resid 26 and name HB1 )) (( segid " A" and resid 26 and name HD2 )) 2.481 0.769 0.769 assi (( segid " A" and resid 9 and name HB1 )) (( segid " A" and resid 26 and name HE1 )) 2.484 0.771 0.771 assi (( segid " A" and resid 15 and name HA )) ( segid " A" and resid 15 and name HG# ) 2.489 0.774 0.774 assi (( segid " A" and resid 15 and name HA )) ( segid " A" and resid 2 and name HE# ) 2.492 0.776 0.776 assi (( segid " A" and resid 26 and name HA )) (( segid " A" and resid 26 and name HB2 )) 2.495 0.778 0.778 assi (( segid " A" and resid 19 and name HB2 )) (( segid " A" and resid 19 and name HN )) 2.497 0.779 0.779 assi (( segid " A" and resid 4 and name HA )) ( segid " A" and resid 19 and name HD2#) 2.499 0.780 0.780 assi ( segid " A" and resid 23 and name HB# ) (( segid " A" and resid 20 and name HA )) 2.499 0.780 0.780 assi (( segid " A" and resid 6 and name HA )) (( segid " A" and resid 6 and name HB1 )) 2.502 0.782 0.782 assi (( segid " A" and resid 28 and name HA1 )) (( segid " A" and resid 28 and name HN )) 2.502 0.782 0.782 assi (( segid " A" and resid 29 and name HB2 )) (( segid " A" and resid 29 and name HG2 )) 2.516 0.791 0.791 assi (( segid " A" and resid 19 and name HB2 )) (( segid " A" and resid 16 and name HA )) 2.525 0.797 0.797 assi ( segid " A" and resid 13 and name HD# ) (( segid " A" and resid 13 and name HN )) 2.528 0.799 0.799 assi (( segid " A" and resid 22 and name HD2 )) ( segid " A" and resid 19 and name HD2#) 2.528 0.799 0.799 assi (( segid " A" and resid 15 and name HB2 )) (( segid " A" and resid 15 and name HN )) 2.532 0.801 0.801 assi (( segid " A" and resid 4 and name HB2 )) (( segid " A" and resid 4 and name HN )) 2.539 0.806 0.806 assi (( segid " A" and resid 6 and name HB2 )) (( segid " A" and resid 6 and name HA )) 2.541 0.807 0.807 assi ( segid " A" and resid 14 and name HG2#) (( segid " A" and resid 14 and name HA )) 2.547 0.811 0.811 assi (( segid " A" and resid 14 and name HA )) (( segid " A" and resid 14 and name HB )) 2.549 0.812 0.812 assi (( segid " A" and resid 13 and name HA )) ( segid " A" and resid 13 and name HD# ) 2.549 0.812 0.812 assi (( segid " A" and resid 20 and name HA )) (( segid " A" and resid 20 and name HB1 )) 2.553 0.815 0.815 assi (( segid " A" and resid 22 and name HB1 )) (( segid " A" and resid 22 and name HD2 )) 2.555 0.816 0.816 assi (( segid " A" and resid 19 and name HB1 )) (( segid " A" and resid 20 and name HN )) 2.559 0.818 0.818 assi (( segid " A" and resid 18 and name HB2 )) ( segid " A" and resid 13 and name HD# ) 2.561 0.820 0.820 assi (( segid " A" and resid 10 and name HA1 )) (( segid " A" and resid 10 and name HN )) 2.561 0.820 0.820 assi (( segid " A" and resid 25 and name HA )) (( segid " A" and resid 25 and name HN )) 2.575 0.829 0.829 assi ( segid " A" and resid 15 and name HG# ) (( segid " A" and resid 15 and name HD1 )) 2.577 0.830 0.830 assi ( segid " A" and resid 14 and name HG2#) (( segid " A" and resid 14 and name HB )) 2.579 0.832 0.832 assi (( segid " A" and resid 13 and name HA )) (( segid " A" and resid 13 and name HB1 )) 2.581 0.833 0.833 assi (( segid " A" and resid 9 and name HB2 )) (( segid " A" and resid 6 and name HB2 )) 2.583 0.834 0.834 assi (( segid " A" and resid 19 and name HN )) (( segid " A" and resid 20 and name HN )) 2.586 0.836 0.836 assi (( segid " A" and resid 11 and name HA )) (( segid " A" and resid 11 and name HN )) 2.594 0.841 0.841 assi (( segid " A" and resid 20 and name HN )) (( segid " A" and resid 20 and name HB2 )) 2.596 0.843 0.843 assi (( segid " A" and resid 20 and name HA )) (( segid " A" and resid 20 and name HB2 )) 2.599 0.844 0.844 assi (( segid " A" and resid 16 and name HA )) (( segid " A" and resid 16 and 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