NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
2341 1bq0 4227 cing 1-original 3 unknown distance NOE simple


!!manually picked peaks with no volumes                                         
                                                                                
!!see notebook \#7, page 150                                                    
                                                                                
\\assign (resid 5 and name ha) (resid 8 and name hn) 4.000 2.200 0.000  ! x x   
                                                                                
\\assign (resid 8 and name ha) (resid 9 and name hn) 4.000 2.200 0.000  ! x x   
                                                                                
\\assign (resid 6 and name ha) (resid 9 and name hn) 4.000 2.200 0.000  ! x x   
                                                                                
\\assign (resid 7 and name ha) (resid 6 and name hn) 4.000 2.200 0.000  ! x x   
                                                                                
\\assign (resid 22 and name ha) (resid 25 and name hn) 4.000 2.200 0.000 ! x x  
                                                                                
\\assign (resid 50 and name ha) (resid 53 and name hn) 4.000 2.200 0.000 ! x x  
                                                                                
\\assign (resid 51 and name ha) (resid 54 and name hn) 4.000 2.200 0.000 ! x x  
                                                                                
\\assign (resid 53 and name ha) (resid 56 and name hn) 4.000 2.200 0.000 ! x x  
                                                                                
\\assign (resid 62 and name ha) (resid 65 and name hn) 4.000 2.200 0.000 ! x x  
                                                                                
\\assign (resid 61 and name ha) (resid 64 and name hn) 4.000 2.200 0.000 ! x x  
                                                                                
\\assign (resid 1 and name ha) (resid 1 and name hb\#) 4.045000 2.245 0.955 ! a 
                                                                                
\\assign (resid 2 and name ha) (resid 2 and name hb\#) 3.153000 1.353 0.147 ! k 
                                                                                
\\assign (resid 2 and name hb\#) (resid 2 and name he\#) 5.000000 3.200 0.000 ! 
                                                                                
\\assign (resid 2 and name hn) (resid 3 and name he2\#) 3.327000 1.527 1.673 ! k
                                                                                
\\assign (resid 2 and name ha) (resid 3 and name hn) 2.802000 1.002 0.198 ! k q 
                                                                                
\\assign (resid 2 and name hn) (resid 2 and name hg\#) 3.384000 1.584 2.616 ! k 
                                                                                
\\assign (resid 2 and name hb\#) (resid 2 and name ha) 5.000000 3.200 0.000 ! k 
                                                                                
\\assign (resid 3 and name hg\#) (resid 3 and name ha) 2.787000 0.987 1.113 ! q 
                                                                                
\\assign (resid 3 and name ha) (resid 4 and name hb\#) 3.248000 1.448 1.052 ! q 
                                                                                
\\assign (resid 3 and name he2\#) (resid 2 and name hn) 3.923000 2.123 1.077 ! q
                                                                                
\\assign (resid 3 and name hb\#) (resid 8 and name hd1\#) 5.000000 3.200 2.000 !
                                                                                
\\assign (resid 3 and name hb\#) (resid 3 and name hn) 5.000000 3.200 0.600 ! q 
                                                                                
\\assign (resid 3 and name hn) (resid 2 and name hb\#) 3.426000 1.626 2.574 ! q 
                                                                                
\\assign (resid 3 and name hb\#) (resid 3 and name hg\#) 5.000000 3.200 0.000 ! 
                                                                                
\\assign (resid 3 and name ha) (resid 4 and name hn) 3.091000 1.291 0.909 ! q d 
                                                                                
\\assign (resid 3 and name hb\#) (resid 4 and name hn) 5.000000 3.200 1.000 ! q 
                                                                                
\\assign (resid 3 and name hg\#) (resid 8 and name hd1\#) 3.800000 2.000 3.200 !
                                                                                
\\assign (resid 3 and name hn) (resid 3 and name ha) 3.179000 1.379 0.821 ! q q 
                                                                                
\\assign (resid 3 and name ha) (resid 8 and name hd1\#) 4.312000 2.512 1.688 ! q
                                                                                
\\assign (resid 3 and name hg\#) (resid 3 and name hn) 3.058000 1.258 1.242 ! q 
                                                                                
\\assign (resid 3 and name hg\#) (resid 4 and name hn) 3.383000 1.583 2.617 ! q 
                                                                                
\\assign (resid 3 and name hg\#) (resid 3 and name he2\#) 3.406000 1.606 1.594 !
                                                                                
\\assign (resid 4 and name hn) (resid 4 and name hb\#) 3.783000 1.983 1.817 ! d 
                                                                                
\\assign (resid 4 and name hb\#) (resid 4 and name hn) 3.338000 1.538 2.262 ! d 
                                                                                
\\assign (resid 4 and name hb\#) (resid 5 and name hn) 3.326000 1.526 2.674 ! d 
                                                                                
\\assign (resid 4 and name ha) (resid 5 and name hn) 3.268000 1.468 0.732 ! d y 
                                                                                
\\assign (resid 4 and name ha) (resid 4 and name hn) 4.000000 2.200 0.000 ! d d 
                                                                                
\\assign (resid 4 and name hn) (resid 3 and name hg\#) 3.923000 2.123 2.077 ! d 
                                                                                
\\assign (resid 4 and name ha) (resid 4 and name hb\#) 3.309000 1.509 1.691 ! d 
                                                                                
\\assign (resid 4 and name hn) (resid 7 and name hb\#) 3.379000 1.579 2.621 ! d 
                                                                                
\\assign (resid 5 and name ha) (resid 8 and name hd1\#) 3.624000 1.824 2.376 ! y
                                                                                
\\assign (resid 5 and name ha) (resid 8 and name hb) 2.914000 1.114 0.386 ! y i 
                                                                                
\\assign (resid 5 and name hb2) (resid 56 and name hd\#) 5.000000 3.200 2.400 ! 
                                                                                
\\assign (resid 5 and name ha) (resid 5 and name hd\#) 3.316000 1.516 2.684 ! y 
                                                                                
\\assign (resid 5 and name hn) (resid 8 and name hb) 3.701000 1.901 1.299 ! y i 
                                                                                
\\assign (resid 5 and name ha) (resid 52 and name hb\#) 5.000000 3.200 1.000 ! y
                                                                                
\\assign (resid 5 and name hb1) (resid 5 and name hb2) 3.305000 1.505 1.695 ! y 
                                                                                
\\assign (resid 5 and name hb1) (resid 5 and name hd\#) 3.342000 1.542 1.658 ! y
                                                                                
\\assign (resid 5 and name hb2) (resid 5 and name hd\#) 5.000000 3.200 0.000 ! y
                                                                                
\\assign (resid 5 and name hn) (resid 5 and name ha) 3.853000 2.053 0.147 ! y y 
                                                                                
\\assign (resid 6 and name ha) (resid 56 and name hd\#) 5.000000 3.200 2.400 ! y
                                                                                
\\assign (resid 6 and name hb\#) (resid 7 and name hn) 5.000000 3.200 1.000 ! y 
                                                                                
\\assign (resid 6 and name ha) (resid 9 and name hd\#) 5.000000 3.200 2.400 ! y 
                                                                                
\\assign (resid 6 and name hb2) (resid 9 and name hd\#) 5.000000 3.200 2.400 ! y
                                                                                
\\assign (resid 6 and name hn) (resid 7 and name hn) 3.014000 1.214 0.986 ! y e 
                                                                                
\\assign (resid 6 and name ha) (resid 6 and name hd\#) 5.000000 3.200 1.000 ! y 
                                                                                
\\assign (resid 6 and name ha) (resid 6 and name hb\#) 5.000000 3.200 0.000 ! y 
                                                                                
\\assign (resid 6 and name hb1) (resid 6 and name ha) 5.000000 3.200 0.000 ! y y
                                                                                
\\assign (resid 6 and name ha) (resid 6 and name hn) 4.000000 2.200 0.000 ! y y 
                                                                                
\\assign (resid 6 and name hb2) (resid 6 and name ha) 5.000000 3.200 0.000 ! y y
                                                                                
\\assign (resid 6 and name hb1) (resid 6 and name hd\#) 5.000000 3.200 0.000 ! y
                                                                                
\\assign (resid 6 and name ha) (resid 7 and name hn) 4.000000 2.200 0.000 ! y e 
                                                                                
\\assign (resid 6 and name hb\#) (resid 9 and name hd\#) 3.966000 2.166 4.434 ! 
                                                                                
\\assign (resid 6 and name ha) (resid 14 and name hg2\#) 5.000000 3.200 1.000 ! 
                                                                                
\\assign (resid 6 and name hb2) (resid 6 and name hn) 3.632000 1.832 1.368 ! y y
                                                                                
\\assign (resid 7 and name hn) (resid 6 and name hb1) 3.337000 1.537 1.663 ! e y
                                                                                
\\assign (resid 7 and name ha) (resid 11 and name hn) 4.000000 2.200 0.000 ! e v
                                                                                
\\assign (resid 7 and name hn) (resid 7 and name hb\#) 3.184000 1.384 0.716 ! e 
                                                                                
\\assign (resid 7 and name ha) (resid 6 and name hn) 3.511000 1.711 1.489 ! e y 
                                                                                
\\assign (resid 7 and name hg\#) (resid 8 and name hn) 3.739000 1.939 2.261 ! e 
                                                                                
\\assign (resid 7 and name ha) (resid 8 and name hn) 3.144000 1.344 0.856 ! e i 
                                                                                
\\assign (resid 7 and name hg\#) (resid 7 and name hn) 3.248000 1.448 1.052 ! e 
                                                                                
\\assign (resid 7 and name ha) (resid 7 and name hn) 4.000000 2.200 0.000 ! e e 
                                                                                
\\assign (resid 7 and name ha) (resid 11 and name hg1\#) 5.000000 3.200 1.000 ! 
                                                                                
\\assign (resid 8 and name hd1\#) (resid 8 and name hb) 3.075000 1.275 0.225 ! i
                                                                                
\\assign (resid 8 and name hd1\#) (resid 5 and name he\#) 3.796000 1.996 4.204 !
                                                                                
\\assign (resid 8 and name hb) (resid 8 and name hg2\#) 3.153000 1.353 0.147 ! i
                                                                                
\\assign (resid 8 and name hg2\#) (resid 8 and name hg1\#) 3.557000 1.757 1.443 
                                                                                
\\assign (resid 8 and name hb) (resid 9 and name hn) 5.000000 3.200 0.000 ! i l 
                                                                                
\\assign (resid 8 and name hg1\#) (resid 8 and name hb) 3.720000 1.920 1.280 ! i
                                                                                
\\assign (resid 8 and name hg2\#) (resid 7 and name hb\#) 3.781000 1.981 3.219 !
                                                                                
\\assign (resid 8 and name hb) (resid 8 and name ha) 3.270000 1.470 0.030 ! i i 
                                                                                
\\assign (resid 8 and name hd1\#) (resid 8 and name hg1\#) 3.193000 1.393 0.107 
                                                                                
\\assign (resid 8 and name hd1\#) (resid 5 and name hd\#) 3.906000 2.106 4.094 !
                                                                                
\\assign (resid 8 and name ha) (resid 8 and name hn) 3.133000 1.333 0.867 ! i i 
                                                                                
\\assign (resid 8 and name ha) (resid 9 and name hd\#) 5.000000 3.200 2.400 ! i 
                                                                                
\\assign (resid 8 and name ha) (resid 8 and name hg1\#) 3.298000 1.498 1.002 ! i
                                                                                
\\assign (resid 8 and name hd1\#) (resid 3 and name hn) 4.481000 2.681 1.519 ! i
                                                                                
\\assign (resid 8 and name hg2\#) (resid 52 and name hb\#) 4.158000 2.358 2.842 
                                                                                
\\assign (resid 8 and name hb) (resid 8 and name hn) 3.353000 1.553 1.647 ! i i 
                                                                                
\\assign (resid 8 and name hn) (resid 8 and name hg2\#) 3.511000 1.711 2.489 ! i
                                                                                
\\assign (resid 8 and name hg2\#) (resid 49 and name ha) 3.207000 1.407 1.093 ! 
                                                                                
\\assign (resid 8 and name hd1\#) (resid 8 and name hn) 3.898000 2.098 1.102 ! i
                                                                                
\\assign (resid 8 and name hg2\#) (resid 5 and name ha) 3.829000 2.029 2.171 ! i
                                                                                
\\assign (resid 8 and name hn) (resid 9 and name hn) 3.516000 1.716 0.484 ! i l 
                                                                                
\\assign (resid 8 and name hn) (resid 7 and name hn) 3.435000 1.635 0.565 ! i e 
                                                                                
\\assign (resid 8 and name hd1\#) (resid 8 and name ha) 3.566000 1.766 2.034 ! i
                                                                                
\\assign (resid 8 and name hg2\#) (resid 9 and name hn) 4.168000 2.368 1.832 ! i
                                                                                
\\assign (resid 8 and name hd1\#) (resid 4 and name hn) 5.000000 3.200 1.000 ! i
                                                                                
\\assign (resid 8 and name hd1\#) (resid 5 and name hn) 3.739000 1.939 2.261 ! i
                                                                                
\\assign (resid 8 and name hg2\#) (resid 8 and name hn) 3.764000 1.964 2.236 ! i
                                                                                
\\assign (resid 8 and name hb) (resid 52 and name hb\#) 5.000000 3.200 1.000 ! i
                                                                                
\\assign (resid 8 and name hg1\#) (resid 8 and name hn) 5.000000 3.200 1.000 ! i
                                                                                
\\assign (resid 9 and name hd\#) (resid 24 and name hb2) 3.755000 1.955 3.645 ! 
                                                                                
\\assign (resid 9 and name hd\#) (resid 49 and name ha) 4.522000 2.722 2.878 ! l
                                                                                
\\assign (resid 9 and name hd\#) (resid 53 and name hb\#) 3.842000 2.042 4.558 !
                                                                                
\\assign (resid 9 and name hd\#) (resid 9 and name hg) 3.759000 1.959 1.241 ! l 
                                                                                
\\assign (resid 9 and name hd\#) (resid 9 and name hb1) 4.764000 2.964 0.236 ! l
                                                                                
\\assign (resid 9 and name hg) (resid 56 and name hd\#) 4.421000 2.621 2.979 ! l
                                                                                
\\assign (resid 9 and name hd\#) (resid 10 and name hn) 3.455000 1.655 3.945 ! l
                                                                                
\\assign (resid 9 and name hd\#) (resid 11 and name hn) 4.049000 2.249 3.351 ! l
                                                                                
\\assign (resid 9 and name hg) (resid 53 and name ha) 4.087000 2.287 0.913 ! l y
                                                                                
\\assign (resid 9 and name hd\#) (resid 9 and name hn) 3.848000 2.048 1.152 ! l 
                                                                                
\\assign (resid 9 and name hd\#) (resid 56 and name hd\#) 4.390000 2.590 5.410 !
                                                                                
\\assign (resid 9 and name hb2) (resid 9 and name hn) 3.935000 2.135 1.065 ! l l
                                                                                
\\assign (resid 9 and name hb1) (resid 9 and name hn) 4.072000 2.272 0.928 ! l l
                                                                                
\\assign (resid 9 and name ha) (resid 9 and name hd\#) 3.383000 1.583 3.317 ! l 
                                                                                
\\assign (resid 9 and name hn) (resid 10 and name hn) 3.466000 1.666 0.534 ! l g
                                                                                
\\assign (resid 9 and name hd\#) (resid 20 and name ha) 4.047000 2.247 3.353 ! l
                                                                                
\\assign (resid 9 and name hn) (resid 9 and name ha) 3.697000 1.897 0.303 ! l l 
                                                                                
\\assign (resid 9 and name hd\#) (resid 53 and name he\#) 4.002000 2.202 5.398 !
                                                                                
\\assign (resid 9 and name hd\#) (resid 24 and name hn) 4.980000 3.180 2.420 ! l
                                                                                
\\assign (resid 9 and name hb2) (resid 9 and name hd\#) 4.043000 2.243 0.957 ! l
                                                                                
\\assign (resid 9 and name hd\#) (resid 52 and name hb\#) 4.583000 2.783 3.817 !
                                                                                
\\assign (resid 9 and name hd\#) (resid 8 and name hn) 4.010000 2.210 3.390 ! l 
                                                                                
\\assign (resid 10 and name ha\#) (resid 11 and name hn) 3.065000 1.265 1.935 ! 
                                                                                
\\assign (resid 10 and name ha\#) (resid 10 and name hn) 3.006000 1.206 0.994 ! 
                                                                                
\\assign (resid 10 and name hn) (resid 11 and name hn) 3.191000 1.391 0.809 ! g 
                                                                                
\\assign (resid 10 and name hn) (resid 7 and name ha) 3.579000 1.779 0.421 ! g e
                                                                                
\\assign (resid 11 and name hb) (resid 11 and name hg2\#) 3.442000 1.642 1.558 !
                                                                                
\\assign (resid 11 and name hg1\#) (resid 6 and name he\#) 3.784000 1.984 4.216 
                                                                                
\\assign (resid 11 and name hb) (resid 12 and name hn) 3.255000 1.455 0.045 ! v 
                                                                                
\\assign (resid 11 and name hg2\#) (resid 6 and name hb\#) 4.476000 2.676 2.524 
                                                                                
\\assign (resid 11 and name hg1\#) (resid 11 and name hn) 3.406000 1.606 2.594 !
                                                                                
\\assign (resid 11 and name hg2\#) (resid 23 and name hb\#) 3.922000 2.122 3.078
                                                                                
\\assign (resid 11 and name hg1\#) (resid 56 and name hd\#) 4.341000 2.541 4.059
                                                                                
\\assign (resid 11 and name hg2\#) (resid 11 and name hg1\#) 4.142000 2.342 0.85
                                                                                
\\assign (resid 11 and name hg1\#) (resid 20 and name ha) 3.713000 1.913 2.287 !
                                                                                
\\assign (resid 11 and name hg1\#) (resid 15 and name ha) 3.704000 1.904 2.296 !
                                                                                
\\assign (resid 11 and name hg1\#) (resid 6 and name hb\#) 3.425000 1.625 3.575 
                                                                                
\\assign (resid 11 and name hg2\#) (resid 11 and name hn) 4.210000 2.410 1.790 !
                                                                                
\\assign (resid 11 and name hg2\#) (resid 11 and name ha) 3.404000 1.604 2.196 !
                                                                                
\\assign (resid 11 and name hg1\#) (resid 6 and name hd\#) 3.283000 1.483 3.017 
                                                                                
\\assign (resid 11 and name hn) (resid 11 and name hg2\#) 3.708000 1.908 2.292 !
                                                                                
\\assign (resid 11 and name hb) (resid 15 and name hb\#) 3.360000 1.560 2.640 ! 
                                                                                
\\assign (resid 11 and name hg2\#) (resid 10 and name hn) 4.261000 2.461 1.739 !
                                                                                
\\assign (resid 11 and name hg2\#) (resid 15 and name hb\#) 4.190000 2.390 2.810
                                                                                
\\assign (resid 11 and name hg1\#) (resid 12 and name hn) 3.614000 1.814 2.386 !
                                                                                
\\assign (resid 11 and name hg2\#) (resid 20 and name ha) 4.213000 2.413 1.787 !
                                                                                
\\assign (resid 11 and name hg2\#) (resid 12 and name hn) 3.983000 2.183 2.017 !
                                                                                
\\assign (resid 11 and name hb) (resid 11 and name hg1\#) 3.607000 1.807 1.393 !
                                                                                
\\assign (resid 11 and name hg1\#) (resid 12 and name ha) 4.142000 2.342 1.858 !
                                                                                
\\assign (resid 12 and name ha) (resid 14 and name hn) 4.000000 2.200 0.000 ! s 
                                                                                
\\assign (resid 12 and name ha) (resid 12 and name hb\#) 3.317000 1.517 1.683 ! 
                                                                                
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\\assign (resid 12 and name hb\#) (resid 15 and name hb\#) 4.658000 2.858 2.342 
                                                                                
\\assign (resid 12 and name hb\#) (resid 13 and name hn) 3.330000 1.530 2.670 ! 
                                                                                
\\assign (resid 12 and name hb\#) (resid 14 and name hn) 4.142000 2.342 1.858 ! 
                                                                                
\\assign (resid 12 and name hn) (resid 11 and name ha) 3.790000 1.990 0.210 ! s 
                                                                                
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\\assign (resid 12 and name ha) (resid 13 and name hb\#) 3.248000 1.448 2.052 ! 
                                                                                
\\assign (resid 12 and name hb\#) (resid 15 and name hn) 5.000000 3.200 1.000 ! 
                                                                                
\\assign (resid 12 and name ha) (resid 6 and name he\#) 4.011000 2.211 2.989 ! s
                                                                                
\\assign (resid 12 and name hb\#) (resid 11 and name hb) 4.408000 2.608 1.592 ! 
                                                                                
\\assign (resid 12 and name ha) (resid 13 and name hn) 3.083000 1.283 0.917 ! s 
                                                                                
\\assign (resid 12 and name hb\#) (resid 12 and name hn) 3.356000 1.556 2.244 ! 
                                                                                
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\\assign (resid 13 and name hb\#) (resid 13 and name hn) 3.096000 1.296 0.804 ! 
                                                                                
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\\assign (resid 13 and name ha) (resid 15 and name hn) 4.000000 2.200 0.000 ! k 
                                                                                
\\assign (resid 13 and name hg\#) (resid 13 and name hn) 3.611000 1.811 2.389 ! 
                                                                                
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\\assign (resid 13 and name hb\#) (resid 6 and name ha) 3.255000 1.455 1.045 ! k
                                                                                
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\\assign (resid 13 and name hb\#) (resid 13 and name ha) 3.449000 1.649 1.551 ! 
                                                                                
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\\assign (resid 13 and name hg\#) (resid 13 and name ha) 3.653000 1.853 1.947 ! 
                                                                                
\\assign (resid 13 and name hb\#) (resid 14 and name hn) 3.332000 1.532 2.668 ! 
                                                                                
\\assign (resid 14 and name ha) (resid 14 and name hn) 3.388000 1.588 0.612 ! t 
                                                                                
\\assign (resid 14 and name ha) (resid 15 and name hn) 3.267000 1.467 0.733 ! t 
                                                                                
\\assign (resid 14 and name hg2\#) (resid 12 and name hb\#) 4.230000 2.430 2.770
                                                                                
\\assign (resid 14 and name hg2\#) (resid 14 and name ha) 3.391000 1.591 2.209 !
                                                                                
\\assign (resid 14 and name ha) (resid 14 and name hb) 3.896000 2.096 1.104 ! t 
                                                                                
\\assign (resid 14 and name hn) (resid 15 and name hn) 3.508000 1.708 0.492 ! t 
                                                                                
\\assign (resid 14 and name hg2\#) (resid 13 and name hb\#) 3.614000 1.814 3.386
                                                                                
\\assign (resid 14 and name hg2\#) (resid 14 and name hn) 3.840000 2.040 2.160 !
                                                                                
\\assign (resid 14 and name hb) (resid 14 and name hn) 3.651000 1.851 1.349 ! t 
                                                                                
\\assign (resid 14 and name hg2\#) (resid 13 and name hn) 5.000000 3.200 1.000 !
                                                                                
\\assign (resid 14 and name hg2\#) (resid 15 and name hn) 5.000000 3.200 1.000 !
                                                                                
\\assign (resid 14 and name hg2\#) (resid 14 and name hb) 3.469000 1.669 1.531 !
                                                                                
\\assign (resid 14 and name hn) (resid 13 and name hb\#) 3.701000 1.901 2.299 ! 
                                                                                
\\assign (resid 15 and name ha) (resid 16 and name hn) 3.101000 1.301 0.899 ! a 
                                                                                
\\assign (resid 15 and name hb\#) (resid 14 and name hn) 5.000000 3.200 1.000 ! 
                                                                                
\\assign (resid 15 and name hb\#) (resid 6 and name he\#) 3.952000 2.152 4.048 !
                                                                                
\\assign (resid 15 and name ha) (resid 15 and name hn) 3.605000 1.805 0.395 ! a 
                                                                                
\\assign (resid 15 and name hn) (resid 14 and name hn) 3.579000 1.779 0.421 ! a 
                                                                                
\\assign (resid 15 and name hb\#) (resid 20 and name ha) 4.046000 2.246 1.954 ! 
                                                                                
\\assign (resid 15 and name hb\#) (resid 11 and name hg1\#) 3.861000 2.061 3.139
                                                                                
\\assign (resid 15 and name hb\#) (resid 17 and name hn) 4.540000 2.740 1.460 ! 
                                                                                
\\assign (resid 15 and name hb\#) (resid 12 and name ha) 3.473000 1.673 2.527 ! 
                                                                                
\\assign (resid 15 and name hb\#) (resid 20 and name hd1\#) 3.678000 1.878 3.322
                                                                                
\\assign (resid 15 and name hb\#) (resid 15 and name hn) 3.614000 1.814 1.986 ! 
                                                                                
\\assign (resid 15 and name hb\#) (resid 19 and name hb2) 3.297000 1.497 1.003 !
                                                                                
\\assign (resid 15 and name ha) (resid 16 and name hg\#) 3.752000 1.952 2.248 ! 
                                                                                
\\assign (resid 15 and name hb\#) (resid 16 and name hn) 3.688000 1.888 2.312 ! 
                                                                                
\\assign (resid 15 and name hb\#) (resid 6 and name hd\#) 5.000000 3.200 3.000 !
                                                                                
\\assign (resid 15 and name hb\#) (resid 12 and name hn) 3.902000 2.102 2.098 ! 
                                                                                
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