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
5211 1go1 5485 cing 1-original 1 XPLOR/CNS distance NOE ambi



!ambiguous NOE for CNS/ARIA
 ASSI {   10}
   (  segid "    " and resid  10  and name HB% )
   (( segid "    " and resid  91  and name HB2 ))
      2.400     0.700     0.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.49439E-02 ppm1      1.325 ppm2      3.620 CV     1
 OR {   10}
   (  segid "    " and resid  10  and name HB% )
   (( segid "    " and resid   7  and name HA  ))
 ASSI {   23}
   (( segid "    " and resid  27  and name HA  ))
   (( segid "    " and resid  27  and name HN  ))
      3.100     1.200     1.200 peak    23 spectrum    1 weight  0.10000E+01 volume  0.13956E-02 ppm1      3.885 ppm2      8.278 CV     1
 OR {   23}
   (( segid "    " and resid  27  and name HA  ))
   (( segid "    " and resid  28  and name HN  ))
 ASSI {   35}
   (  segid "    " and resid  27  and name HB% )
   (( segid "    " and resid  27  and name HN  ))
      2.200     0.600     0.600 peak    35 spectrum    1 weight  0.10000E+01 volume  0.94937E-02 ppm1      1.405 ppm2      8.263 CV     1
 OR {   35}
   (  segid "    " and resid  27  and name HB% )
   (( segid "    " and resid  28  and name HN  ))
 ASSI {   57}
   (  segid "    " and resid  38  and name HB% )
   (( segid "    " and resid  39  and name HA  ))
      3.800     1.800     1.800 peak    57 spectrum    1 weight  0.10000E+01 volume  0.10037E-02 ppm1      1.569 ppm2      3.962 CV     1
 OR {   57}
   (  segid "    " and resid  38  and name HB% )
   (( segid "    " and resid  81  and name HB2 ))
 OR {   57}
   (  segid "    " and resid  38  and name HB% )
   (( segid "    " and resid  81  and name HB3 ))
 ASSI {  104}
   (  segid "    " and resid  53  and name HB% )
   (( segid "    " and resid  58  and name HN  ))
      3.600     1.600     1.600 peak   104 spectrum    1 weight  0.10000E+01 volume  0.12490E-02 ppm1      1.497 ppm2      8.225 CV     1
 OR {  104}
   (  segid "    " and resid  53  and name HB% )
   (( segid "    " and resid  52  and name HN  ))
 ASSI {  125}
   (  segid "    " and resid  84  and name HB% )
   (( segid "    " and resid  84  and name HN  ))
      2.400     0.700     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.70444E-02 ppm1      0.939 ppm2      9.009 CV     1
 OR {  125}
   (  segid "    " and resid  84  and name HB% )
   (( segid "    " and resid  85  and name HN  ))
 ASSI {  148}
   (( segid "    " and resid  44  and name HA  ))
   (( segid "    " and resid  47  and name HB2 ))
      2.900     1.100     1.100 peak   148 spectrum    1 weight  0.10000E+01 volume  0.25820E-02 ppm1      4.301 ppm2      2.026 CV     1
 OR {  148}
   (( segid "    " and resid  44  and name HA  ))
   (( segid "    " and resid  43  and name HB2 ))
 OR {  148}
   (( segid "    " and resid  44  and name HA  ))
   (( segid "    " and resid  47  and name HB3 ))
 ASSI {  222}
   (  segid "    " and resid  24  and name HD1%)
   (( segid "    " and resid  21  and name HA  ))
      2.600     0.800     0.800 peak   222 spectrum    1 weight  0.10000E+01 volume  0.40647E-02 ppm1      0.968 ppm2      3.885 CV     1
 OR {  222}
   (  segid "    " and resid  24  and name HD1%)
   (( segid "    " and resid  45  and name HA  ))
 ASSI {  250}
   (  segid "    " and resid  35  and name HD1%)
   (( segid "    " and resid  27  and name HA  ))
      2.900     1.100     1.100 peak   250 spectrum    1 weight  0.10000E+01 volume  0.22841E-02 ppm1      0.692 ppm2      3.906 CV     1
 OR {  250}
   (  segid "    " and resid  35  and name HD1%)
   (( segid "    " and resid  59  and name HD2 ))
 ASSI {  253}
   (  segid "    " and resid  35  and name HD1%)
   (  segid "    " and resid  35  and name HG2%)
      2.100     0.600     0.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.94679E-02 ppm1      0.693 ppm2      0.896 CV     1
 OR {  253}
   (  segid "    " and resid  35  and name HD1%)
   (  segid "    " and resid  58  and name HD1%)
 ASSI {  254}
   (  segid "    " and resid  35  and name HD1%)
   (( segid "    " and resid  53  and name HN  ))
      4.300     2.300     1.700 peak   254 spectrum    1 weight  0.10000E+01 volume  0.95029E-03 ppm1      0.693 ppm2      9.020 CV     1
 OR {  254}
   (  segid "    " and resid  35  and name HD1%)
   (( segid "    " and resid  36  and name HN  ))
 ASSI {  256}
   (  segid "    " and resid  35  and name HD1%)
   (( segid "    " and resid  53  and name HA  ))
      3.400     1.400     1.400 peak   256 spectrum    1 weight  0.10000E+01 volume  0.14603E-02 ppm1      0.693 ppm2      3.977 CV     1
 OR {  256}
   (  segid "    " and resid  35  and name HD1%)
   (( segid "    " and resid  23  and name HA  ))
 ASSI {  257}
   (  segid "    " and resid  35  and name HD1%)
   (( segid "    " and resid  35  and name HA  ))
      3.700     1.800     1.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.15930E-02 ppm1      0.693 ppm2      4.921 CV     1
 OR {  257}
   (  segid "    " and resid  35  and name HD1%)
   (( segid "    " and resid  60  and name HA  ))
 ASSI {  265}
   (  segid "    " and resid  35  and name HG2%)
   (  segid "    " and resid  35  and name HD1%)
      1.800     0.400     0.400 peak   265 spectrum    1 weight  0.10000E+01 volume  0.23631E-01 ppm1      0.886 ppm2      0.720 CV     1
 OR {  265}
   (  segid "    " and resid  35  and name HG2%)
   (  segid "    " and resid  49  and name HG2%)
 ASSI {  273}
   (( segid "    " and resid  36  and name HA  ))
   (  segid "    " and resid  60  and name HG2%)
      4.000     2.000     2.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.91315E-03 ppm1      5.480 ppm2      0.733 CV     1
 OR {  273}
   (( segid "    " and resid  36  and name HA  ))
   (  segid "    " and resid  49  and name HG2%)
 OR {  273}
   (( segid "    " and resid  36  and name HA  ))
   (  segid "    " and resid  35  and name HD1%)
 OR {  273}
   (( segid "    " and resid  36  and name HA  ))
   (  segid "    " and resid  83  and name HD2%)
 ASSI {  279}
   (  segid "    " and resid  36  and name HD1%)
   (( segid "    " and resid  36  and name HN  ))
      4.000     2.000     2.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.93676E-03 ppm1      0.773 ppm2      9.016 CV     1
 OR {  279}
   (  segid "    " and resid  36  and name HD1%)
   (( segid "    " and resid  85  and name HN  ))
 ASSI {  286}
   (  segid "    " and resid  36  and name HD1%)
   (  segid "    " and resid  93  and name HD1%)
      2.200     0.600     0.600 peak   286 spectrum    1 weight  0.10000E+01 volume  0.85650E-02 ppm1      0.776 ppm2      0.443 CV     1
 OR {  286}
   (  segid "    " and resid  36  and name HD1%)
   (  segid "    " and resid   7  and name HD1%)
 ASSI {  287}
   (  segid "    " and resid  36  and name HD1%)
   (  segid "    " and resid  83  and name HD1%)
      2.100     0.500     0.500 peak   287 spectrum    1 weight  0.10000E+01 volume  0.17643E-01 ppm1      0.776 ppm2      0.651 CV     1
 OR {  287}
   (  segid "    " and resid  36  and name HD1%)
   (  segid "    " and resid  34  and name HD2%)
 ASSI {  291}
   (  segid "    " and resid  36  and name HG2%)
   (( segid "    " and resid  62  and name HA  ))
      3.600     1.600     1.600 peak   291 spectrum    1 weight  0.10000E+01 volume  0.14699E-02 ppm1      0.995 ppm2      4.623 CV     1
 OR {  291}
   (  segid "    " and resid  36  and name HG2%)
   (( segid "    " and resid  38  and name HA  ))
 ASSI {  292}
   (  segid "    " and resid  36  and name HG2%)
   (( segid "    " and resid  63  and name HB2 ))
      2.600     0.800     0.800 peak   292 spectrum    1 weight  0.10000E+01 volume  0.29040E-02 ppm1      0.996 ppm2      2.738 CV     1
 OR {  292}
   (  segid "    " and resid  36  and name HG2%)
   (( segid "    " and resid  61  and name HB3 ))
 ASSI {  300}
   (  segid "    " and resid  36  and name HG2%)
   (  segid "    " and resid  70  and name HD2%)
      2.800     1.000     1.000 peak   300 spectrum    1 weight  0.10000E+01 volume  0.34255E-02 ppm1      0.997 ppm2      0.568 CV     1
 OR {  300}
   (  segid "    " and resid  36  and name HG2%)
   (  segid "    " and resid  85  and name HG2%)
 ASSI {  341}
   (  segid "    " and resid  58  and name HD1%)
   (( segid "    " and resid  30  and name HA2 ))
      3.400     1.500     1.500 peak   341 spectrum    1 weight  0.10000E+01 volume  0.19991E-02 ppm1      0.856 ppm2      4.359 CV     1
 OR {  341}
   (  segid "    " and resid  58  and name HD1%)
   (( segid "    " and resid  58  and name HA  ))
 ASSI {  351}
   (  segid "    " and resid  58  and name HD1%)
   (  segid "    " and resid  58  and name HG2%)
      2.000     0.500     0.500 peak   351 spectrum    1 weight  0.10000E+01 volume  0.15309E-01 ppm1      0.859 ppm2      0.717 CV     1
 OR {  351}
   (  segid "    " and resid  58  and name HD1%)
   (  segid "    " and resid  35  and name HD1%)
 ASSI {  443}
   (( segid "    " and resid   7  and name HA  ))
   (( segid "    " and resid   7  and name HB2 ))
      2.800     1.000     1.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.20550E-02 ppm1      3.595 ppm2      1.305 CV     1
 OR {  443}
   (( segid "    " and resid   7  and name HA  ))
   (  segid "    " and resid  10  and name HB% )
 OR {  443}
   (( segid "    " and resid   7  and name HA  ))
   (( segid "    " and resid   7  and name HB3 ))
 ASSI {  450}
   (  segid "    " and resid   7  and name HD1%)
   (  segid "    " and resid  83  and name HD2%)
      2.400     0.700     0.700 peak   450 spectrum    1 weight  0.10000E+01 volume  0.55152E-02 ppm1      0.423 ppm2      0.711 CV     1
 OR {  450}
   (  segid "    " and resid   7  and name HD1%)
   (  segid "    " and resid  16  and name HG2%)
 ASSI {  455}
   (  segid "    " and resid   7  and name HD2%)
   (( segid "    " and resid   4  and name HA  ))
      3.500     1.600     1.600 peak   455 spectrum    1 weight  0.10000E+01 volume  0.16927E-02 ppm1      0.444 ppm2      3.625 CV     1
 OR {  455}
   (  segid "    " and resid   7  and name HD2%)
   (( segid "    " and resid   7  and name HA  ))
 ASSI {  464}
   (  segid "    " and resid  70  and name HD1%)
   (  segid "    " and resid  83  and name HD2%)
      2.500     0.800     0.800 peak   464 spectrum    1 weight  0.10000E+01 volume  0.42927E-02 ppm1      0.300 ppm2      0.723 CV     1
 OR {  464}
   (  segid "    " and resid  70  and name HD1%)
   (  segid "    " and resid  74  and name HD1%)
 ASSI {  468}
   (  segid "    " and resid  70  and name HD1%)
   (( segid "    " and resid  74  and name HG  ))
      2.900     1.100     1.100 peak   468 spectrum    1 weight  0.10000E+01 volume  0.16822E-02 ppm1      0.304 ppm2      1.607 CV     1
 OR {  468}
   (  segid "    " and resid  70  and name HD1%)
   (( segid "    " and resid  80  and name HB  ))
 ASSI {  473}
   (  segid "    " and resid  70  and name HD2%)
   (( segid "    " and resid  83  and name HG  ))
      2.500     0.800     0.800 peak   473 spectrum    1 weight  0.10000E+01 volume  0.32010E-02 ppm1      0.528 ppm2      1.593 CV     1
 OR {  473}
   (  segid "    " and resid  70  and name HD2%)
   (  segid "    " and resid  38  and name HB% )
 ASSI {  474}
   (  segid "    " and resid  70  and name HD2%)
   (  segid "    " and resid  83  and name HD2%)
      2.400     0.700     0.700 peak   474 spectrum    1 weight  0.10000E+01 volume  0.48126E-02 ppm1      0.528 ppm2      0.711 CV     1
 OR {  474}
   (  segid "    " and resid  70  and name HD2%)
   (  segid "    " and resid  80  and name HG1%)
 ASSI {  569}
   (( segid "    " and resid  43  and name HA  ))
   (( segid "    " and resid  42  and name HB3 ))
      3.200     1.300     1.300 peak   569 spectrum    1 weight  0.10000E+01 volume  0.19847E-02 ppm1      4.077 ppm2      2.059 CV     1
 OR {  569}
   (( segid "    " and resid  43  and name HA  ))
   (( segid "    " and resid  45  and name HB  ))
 OR {  569}
   (( segid "    " and resid  43  and name HA  ))
   (( segid "    " and resid  42  and name HB2 ))
 ASSI {  582}
   (( segid "    " and resid  11  and name HA  ))
   (( segid "    " and resid  11  and name HN  ))
      3.100     1.200     1.200 peak   582 spectrum    1 weight  0.10000E+01 volume  0.14169E-02 ppm1      3.709 ppm2      8.112 CV     1
 OR {  582}
   (( segid "    " and resid  11  and name HA  ))
   (( segid "    " and resid  12  and name HN  ))
 ASSI {  611}
   (( segid "    " and resid  56  and name HB2 ))
   (( segid "    " and resid  56  and name HN  ))
      2.600     0.900     0.900 peak   611 spectrum    1 weight  0.10000E+01 volume  0.29696E-02 ppm1      3.966 ppm2      7.917 CV     1
 OR {  611}
   (( segid "    " and resid  56  and name HB2 ))
   (( segid "    " and resid  57  and name HN  ))
 ASSI {  623}
   (( segid "    " and resid  91  and name HB2 ))
   (( segid "    " and resid  93  and name HB  ))
      2.700     0.900     0.900 peak   623 spectrum    1 weight  0.10000E+01 volume  0.27594E-02 ppm1      3.607 ppm2      1.521 CV     1
 OR {  623}
   (( segid "    " and resid  91  and name HB2 ))
   (( segid "    " and resid   6  and name HB3 ))
 ASSI {  651}
   (  segid "    " and resid  66  and name HG2%)
   (( segid "    " and resid  65  and name HA1 ))
      3.500     1.600     1.600 peak   651 spectrum    1 weight  0.10000E+01 volume  0.88156E-03 ppm1      1.239 ppm2      3.217 CV     1
 OR {  651}
   (  segid "    " and resid  66  and name HG2%)
   (( segid "    " and resid  40  and name HB2 ))
 ASSI {  734}
   (  segid "    " and resid  60  and name HG1%)
   (  segid "    " and resid  37  and name HG2%)
      2.500     0.800     0.800 peak   734 spectrum    1 weight  0.10000E+01 volume  0.48039E-02 ppm1      0.692 ppm2      0.931 CV     1
 OR {  734}
   (  segid "    " and resid  60  and name HG1%)
   (  segid "    " and resid  35  and name HG2%)
 ASSI {  756}
   (( segid "    " and resid  68  and name HA  ))
   (( segid "    " and resid  69  and name HB3 ))
      4.000     2.000     2.000 peak   756 spectrum    1 weight  0.10000E+01 volume  0.95104E-03 ppm1      3.831 ppm2      2.258 CV     1
 OR {  756}
   (( segid "    " and resid  68  and name HA  ))
   (( segid "    " and resid  70  and name HB2 ))
 ASSI {  798}
   (  segid "    " and resid  85  and name HG1%)
   (( segid "    " and resid  16  and name HG12))
      3.000     1.100     1.100 peak   798 spectrum    1 weight  0.10000E+01 volume  0.21050E-02 ppm1      0.462 ppm2      1.320 CV     1
 OR {  798}
   (  segid "    " and resid  85  and name HG1%)
   (  segid "    " and resid  10  and name HB% )
 ASSI {  799}
   (  segid "    " and resid  85  and name HG1%)
   (( segid "    " and resid  88  and name HB3 ))
      3.100     1.200     1.200 peak   799 spectrum    1 weight  0.10000E+01 volume  0.25276E-02 ppm1      0.462 ppm2      1.643 CV     1
 OR {  799}
   (  segid "    " and resid  85  and name HG1%)
   (( segid "    " and resid  86  and name HB  ))
 ASSI {  803}
   (  segid "    " and resid  85  and name HG1%)
   (  segid "    " and resid  85  and name HG2%)
      1.900     0.500     0.500 peak   803 spectrum    1 weight  0.10000E+01 volume  0.18816E-01 ppm1      0.468 ppm2      0.613 CV     1
 OR {  803}
   (  segid "    " and resid  85  and name HG1%)
   (  segid "    " and resid  93  and name HG2%)
 ASSI {  830}
   (( segid "    " and resid  26  and name HA  ))
   (( segid "    " and resid  26  and name HN  ))
      2.700     0.900     0.900 peak   830 spectrum    1 weight  0.10000E+01 volume  0.27162E-02 ppm1      3.990 ppm2      8.237 CV     1
 OR {  830}
   (( segid "    " and resid  26  and name HA  ))
   (( segid "    " and resid  27  and name HN  ))
 ASSI {  838}
   (( segid "    " and resid  51  and name HA  ))
   (( segid "    " and resid  51  and name HN  ))
      2.900     1.100     1.100 peak   838 spectrum    1 weight  0.10000E+01 volume  0.19349E-02 ppm1      4.024 ppm2      8.207 CV     1
 OR {  838}
   (( segid "    " and resid  51  and name HA  ))
   (( segid "    " and resid  52  and name HN  ))
 ASSI {   30}
   (( segid "    " and resid  32  and name HN  ))
   (  segid "    " and resid  58  and name HG2%)
      4.100     2.100     1.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.54753E-03 ppm1      6.897 ppm2      0.709 CV     1
 OR {   30}
   (( segid "    " and resid  32  and name HN  ))
   (  segid "    " and resid  35  and name HD1%)
 ASSI {   64}
   (( segid "    " and resid  53  and name HN  ))
   (( segid "    " and resid  53  and name HA  ))
      2.600     0.900     0.900 peak    64 spectrum    1 weight  0.10000E+01 volume  0.38297E-02 ppm1      9.017 ppm2      4.014 CV     1
 OR {   64}
   (( segid "    " and resid  53  and name HN  ))
   (( segid "    " and resid  52  and name HA  ))
 ASSI {   65}
   (( segid "    " and resid  53  and name HN  ))
   (  segid "    " and resid  49  and name HG2%)
      3.400     1.400     1.400 peak    65 spectrum    1 weight  0.10000E+01 volume  0.16998E-02 ppm1      9.018 ppm2      0.736 CV     1
 OR {   65}
   (( segid "    " and resid  53  and name HN  ))
   (  segid "    " and resid  60  and name HG2%)
 ASSI {   67}
   (( segid "    " and resid  82  and name HN  ))
   (( segid "    " and resid  81  and name HA  ))
      3.500     1.600     1.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.15040E-02 ppm1      7.266 ppm2      4.373 CV     1
 OR {   67}
   (( segid "    " and resid  82  and name HN  ))
   (( segid "    " and resid  80  and name HA  ))
 ASSI {   75}
   (( segid "    " and resid  82  and name HN  ))
   (  segid "    " and resid  80  and name HG2%)
      4.400     2.400     1.600 peak    75 spectrum    1 weight  0.10000E+01 volume  0.81106E-03 ppm1      7.269 ppm2      0.910 CV     1
 OR {   75}
   (( segid "    " and resid  82  and name HN  ))
   (  segid "    " and resid  37  and name HG1%)
 ASSI {   91}
   (( segid "    " and resid  95  and name HN  ))
   (( segid "    " and resid  92  and name HB3 ))
      3.700     1.700     1.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.46777E-03 ppm1      7.998 ppm2      1.233 CV     1
 OR {   91}
   (( segid "    " and resid  95  and name HN  ))
   (( segid "    " and resid  93  and name HG13))
 ASSI {  120}
   (( segid "    " and resid  44  and name HN  ))
   (( segid "    " and resid  43  and name HB3 ))
      3.100     1.200     1.200 peak   120 spectrum    1 weight  0.10000E+01 volume  0.42725E-02 ppm1      8.629 ppm2      2.044 CV     1
 OR {  120}
   (( segid "    " and resid  44  and name HN  ))
   (( segid "    " and resid  42  and name HB2 ))
 ASSI {  133}
   (( segid "    " and resid  87  and name HN  ))
   (  segid "    " and resid  85  and name HG1%)
      3.400     1.500     1.500 peak   133 spectrum    1 weight  0.10000E+01 volume  0.15591E-02 ppm1      7.885 ppm2      0.522 CV     1
 OR {  133}
   (( segid "    " and resid  87  and name HN  ))
   (  segid "    " and resid  86  and name HG2%)
 ASSI {  140}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid  99  and name HB3 ))
      3.400     1.500     1.500 peak   140 spectrum    1 weight  0.10000E+01 volume  0.84060E-03 ppm1      7.979 ppm2      1.845 CV     1
 OR {  140}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
 OR {  140}
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB3 ))
 ASSI {  153}
   (( segid "    " and resid  50  and name HN  ))
   (( segid "    " and resid  47  and name HA  ))
      3.300     1.300     1.300 peak   153 spectrum    1 weight  0.10000E+01 volume  0.15366E-02 ppm1      8.262 ppm2      4.004 CV     1
 OR {  153}
   (( segid "    " and resid  50  and name HN  ))
   (( segid "    " and resid  51  and name HA  ))
 ASSI {  170}
   (( segid "    " and resid   6  and name HN  ))
   (( segid "    " and resid   4  and name HA  ))
      3.800     1.800     1.800 peak   170 spectrum    1 weight  0.10000E+01 volume  0.79511E-03 ppm1      8.390 ppm2      3.635 CV     1
 OR {  170}
   (( segid "    " and resid   6  and name HN  ))
   (( segid "    " and resid   7  and name HA  ))
 ASSI {  212}
   (( segid "    " and resid   5  and name HN  ))
   (( segid "    " and resid   6  and name HN  ))
      2.400     0.700     0.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.49233E-02 ppm1      7.902 ppm2      8.382 CV     1
 OR {  212}
   (( segid "    " and resid   5  and name HN  ))
   (( segid "    " and resid   4  and name HN  ))
 ASSI {  276}
   (( segid "    " and resid  65  and name HN  ))
   (( segid "    " and resid  64  and name HN  ))
      3.500     1.500     1.500 peak   276 spectrum    1 weight  0.10000E+01 volume  0.98236E-03 ppm1      5.588 ppm2      8.379 CV     1
 OR {  276}
   (( segid "    " and resid  65  and name HN  ))
   (( segid "    " and resid  66  and name HN  ))
 ASSI {  279}
   (( segid "    " and resid  71  and name HN  ))
   (( segid "    " and resid  70  and name HA  ))
      3.200     1.300     1.300 peak   279 spectrum    1 weight  0.10000E+01 volume  0.11488E-02 ppm1      7.727 ppm2      3.809 CV     1
 OR {  279}
   (( segid "    " and resid  71  and name HN  ))
   (( segid "    " and resid  68  and name HA  ))
 ASSI {  323}
   (( segid "    " and resid  78  and name HN  ))
   (( segid "    " and resid  77  and name HA  ))
      3.000     1.200     1.200 peak   323 spectrum    1 weight  0.10000E+01 volume  0.28938E-02 ppm1      6.894 ppm2      4.597 CV     1
 OR {  323}
   (( segid "    " and resid  78  and name HN  ))
   (( segid "    " and resid  76  and name HA  ))
 ASSI {  346}
   (( segid "    " and resid  35  and name HN  ))
   (( segid "    " and resid  35  and name HB  ))
      2.500     0.800     0.800 peak   346 spectrum    1 weight  0.10000E+01 volume  0.42660E-02 ppm1      8.610 ppm2      1.655 CV     1
 OR {  346}
   (( segid "    " and resid  35  and name HN  ))
   (( segid "    " and resid  34  and name HB2 ))
 ASSI {  365}
   (( segid "    " and resid  49  and name HN  ))
   (( segid "    " and resid  45  and name HA  ))
      3.700     1.700     1.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.55514E-03 ppm1      8.358 ppm2      3.877 CV     1
 OR {  365}
   (( segid "    " and resid  49  and name HN  ))
   (( segid "    " and resid  50  and name HA  ))
 ASSI {  374}
   (( segid "    " and resid  49  and name HN  ))
   (  segid "    " and resid  24  and name HD1%)
      3.900     1.900     1.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.70051E-03 ppm1      8.370 ppm2      0.948 CV     1
 OR {  374}
   (( segid "    " and resid  49  and name HN  ))
   (  segid "    " and resid  37  and name HG1%)
 ASSI {  465}
   (( segid "    " and resid  55  and name HN  ))
   (( segid "    " and resid  55  and name HA  ))
      2.400     0.700     0.700 peak   465 spectrum    1 weight  0.10000E+01 volume  0.56252E-02 ppm1      7.265 ppm2      4.015 CV     1
 OR {  465}
   (( segid "    " and resid  55  and name HN  ))
   (( segid "    " and resid  54  and name HA  ))
 ASSI {  492}
   (( segid "    " and resid  70  and name HN  ))
   (( segid "    " and resid  68  and name HB  ))
      4.600     2.700     1.400 peak   492 spectrum    1 weight  0.10000E+01 volume  0.37578E-03 ppm1      8.973 ppm2      1.915 CV     1
 OR {  492}
   (( segid "    " and resid  70  and name HN  ))
   (( segid "    " and resid  73  and name HB3 ))
 ASSI {  500}
   (( segid "    " and resid  73  and name HN  ))
   (( segid "    " and resid  73  and name HA  ))
      2.600     0.900     0.900 peak   500 spectrum    1 weight  0.10000E+01 volume  0.41194E-02 ppm1      8.307 ppm2      4.020 CV     1
 OR {  500}
   (( segid "    " and resid  73  and name HN  ))
   (( segid "    " and resid  72  and name HA  ))
 ASSI {  503}
   (( segid "    " and resid  74  and name HN  ))
   (( segid "    " and resid  70  and name HA  ))
      4.300     2.300     1.700 peak   503 spectrum    1 weight  0.10000E+01 volume  0.44184E-03 ppm1      7.177 ppm2      3.796 CV     1
 OR {  503}
   (( segid "    " and resid  74  and name HN  ))
   (( segid "    " and resid  75  and name HA1 ))
 ASSI {  516}
   (( segid "    " and resid  83  and name HN  ))
   (  segid "    " and resid  37  and name HG1%)
      3.200     1.300     1.300 peak   516 spectrum    1 weight  0.10000E+01 volume  0.17266E-02 ppm1      9.126 ppm2      0.906 CV     1
 OR {  516}
   (( segid "    " and resid  83  and name HN  ))
   (  segid "    " and resid  35  and name HG2%)
 ASSI {  546}
   (( segid "    " and resid  29  and name HN  ))
   (( segid "    " and resid  28  and name HA  ))
      3.400     1.400     1.400 peak   546 spectrum    1 weight  0.10000E+01 volume  0.13670E-02 ppm1      7.825 ppm2      3.812 CV     1
 OR {  546}
   (( segid "    " and resid  29  and name HN  ))
   (( segid "    " and resid  30  and name HA2 ))
 ASSI {  607}
   (( segid "    " and resid  54  and name HN  ))
   (( segid "    " and resid  52  and name HN  ))
      3.800     1.800     1.800 peak   607 spectrum    1 weight  0.10000E+01 volume  0.49513E-03 ppm1      7.586 ppm2      8.225 CV     1
 OR {  607}
   (( segid "    " and resid  54  and name HN  ))
   (( segid "    " and resid  51  and name HN  ))
 ASSI {  609}
   (( segid "    " and resid  54  and name HN  ))
   (  segid "    " and resid  60  and name HG2%)
      3.800     1.800     1.800 peak   609 spectrum    1 weight  0.10000E+01 volume  0.77473E-03 ppm1      7.594 ppm2      0.709 CV     1
 OR {  609}
   (( segid "    " and resid  54  and name HN  ))
   (  segid "    " and resid  55  and name HD2%)
 ASSI {  612}
   (( segid "    " and resid  54  and name HN  ))
   (( segid "    " and resid  54  and name HA  ))
      2.600     0.800     0.800 peak   612 spectrum    1 weight  0.10000E+01 volume  0.45531E-02 ppm1      7.595 ppm2      4.035 CV     1
 OR {  612}
   (( segid "    " and resid  54  and name HN  ))
   (( segid "    " and resid  53  and name HA  ))
 ASSI {  616}
   (( segid "    " and resid  54  and name HN  ))
   (( segid "    " and resid  56  and name HN  ))
      4.200     2.200     1.800 peak   616 spectrum    1 weight  0.10000E+01 volume  0.34104E-03 ppm1      7.599 ppm2      7.899 CV     1
 OR {  616}
   (( segid "    " and resid  54  and name HN  ))
   (( segid "    " and resid  57  and name HN  ))
 ASSI {  632}
   (( segid "    " and resid   8  and name HN  ))
   (( segid "    " and resid   7  and name HA  ))
      3.200     1.300     1.300 peak   632 spectrum    1 weight  0.10000E+01 volume  0.13609E-02 ppm1      7.471 ppm2      3.616 CV     1
 OR {  632}
   (( segid "    " and resid   8  and name HN  ))
   (( segid "    " and resid   4  and name HA  ))
 ASSI {  638}
   (( segid "    " and resid   8  and name HN  ))
   (( segid "    " and resid   5  and name HA  ))
      3.500     1.500     1.500 peak   638 spectrum    1 weight  0.10000E+01 volume  0.75074E-03 ppm1      7.479 ppm2      4.021 CV     1
 OR {  638}
   (( segid "    " and resid   8  and name HN  ))
   (( segid "    " and resid   9  and name HA  ))
 ASSI {  666}
   (( segid "    " and resid  67  and name HN  ))
   (( segid "    " and resid  66  and name HA  ))
      2.300     0.700     0.700 peak   666 spectrum    1 weight  0.10000E+01 volume  0.55815E-02 ppm1      9.662 ppm2      4.502 CV     1
 OR {  666}
   (( segid "    " and resid  67  and name HN  ))
   (( segid "    " and resid  67  and name HA  ))
 ASSI {  693}
   (( segid "    " and resid  13  and name HN  ))
   (( segid "    " and resid  13  and name HB  ))
      3.100     1.200     1.200 peak   693 spectrum    1 weight  0.10000E+01 volume  0.15718E-02 ppm1      7.847 ppm2      4.450 CV     1
 OR {  693}
   (( segid "    " and resid  13  and name HN  ))
   (( segid "    " and resid  12  and name HA  ))
 ASSI {  728}
   (( segid "    " and resid  17  and name HN  ))
   (  segid "    " and resid  84  and name HB% )
      3.800     1.800     1.800 peak   728 spectrum    1 weight  0.10000E+01 volume  0.90178E-03 ppm1      8.739 ppm2      0.962 CV     1
 OR {  728}
   (( segid "    " and resid  17  and name HN  ))
   (( segid "    " and resid  16  and name HG12))
 OR {  728}
   (( segid "    " and resid  17  and name HN  ))
   (( segid "    " and resid  16  and name HG13))
 ASSI {  729}
   (( segid "    " and resid  17  and name HN  ))
   (  segid "    " and resid  84  and name HB% )
      3.700     1.700     1.700 peak   729 spectrum    1 weight  0.10000E+01 volume  0.90178E-03 ppm1      8.739 ppm2      0.962 CV     1
 OR {  729}
   (( segid "    " and resid  17  and name HN  ))
   (( segid "    " and resid  16  and name HG13))
 ASSI {  806}
   (( segid "    " and resid  52  and name HN  ))
   (( segid "    " and resid  52  and name HA  ))
      2.700     0.900     0.900 peak   806 spectrum    1 weight  0.10000E+01 volume  0.28038E-02 ppm1      8.230 ppm2      4.013 CV     1
 OR {  806}
   (( segid "    " and resid  52  and name HN  ))
   (( segid "    " and resid  51  and name HA  ))
 ASSI {  810}
   (( segid "    " and resid  52  and name HN  ))
   (( segid "    " and resid  52  and name HB2 ))
      2.400     0.700     0.700 peak   810 spectrum    1 weight  0.10000E+01 volume  0.41970E-02 ppm1      8.233 ppm2      2.786 CV     1
 OR {  810}
   (( segid "    " and resid  52  and name HN  ))
   (( segid "    " and resid  51  and name HB3 ))
 OR {  810}
   (( segid "    " and resid  52  and name HN  ))
   (( segid "    " and resid  52  and name HB3 ))
 ASSI {  813}
   (( segid "    " and resid  61  and name HN  ))
   (( segid "    " and resid  62  and name HN  ))
      4.400     2.400     1.600 peak   813 spectrum    1 weight  0.10000E+01 volume  0.41468E-03 ppm1      9.242 ppm2      7.975 CV     1
 OR {  813}
   (( segid "    " and resid  61  and name HN  ))
   (( segid "    " and resid  60  and name HN  ))
 ASSI {   29}
   (  segid "    " and resid  35  and name HD1%)
   (  segid "    " and resid  35  and name HG2%)
      2.100     0.600     0.600 peak    29 spectrum    1 weight  0.10000E+01 volume  0.90426E-02 ppm1     11.383 ppm2     15.983 CV     1
 OR {   29}
   (  segid "    " and resid  35  and name HD1%)
   (  segid "    " and resid  53  and name HB% )
 ASSI {   80}
   (  segid "    " and resid   7  and name HD1%)
   (  segid "    " and resid  36  and name HD1%)
      2.400     0.700     0.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.59432E-02 ppm1     20.873 ppm2     12.792 CV     1
 OR {   80}
   (  segid "    " and resid   7  and name HD1%)
   (  segid "    " and resid  93  and name HD1%)
 ASSI {   83}
   (  segid "    " and resid   7  and name HD2%)
   (  segid "    " and resid  36  and name HD1%)
      3.000     1.100     1.100 peak    83 spectrum    1 weight  0.10000E+01 volume  0.21927E-02 ppm1     24.484 ppm2     12.815 CV     1
 OR {   83}
   (  segid "    " and resid   7  and name HD2%)
   (  segid "    " and resid  93  and name HD1%)
 ASSI {   15}
   (  segid "    " and resid   3  and name HD% )
   (  segid "    " and resid  63  and name HE% )
      3.400     1.400     1.400 peak    15 spectrum    1 weight  0.10000E+01 volume  0.15486E-05 ppm1      7.060 ppm2      7.284 CV     1
 OR {   15}
   (  segid "    " and resid   3  and name HD% )
   (( segid "    " and resid   3  and name HZ  ))
 ASSI {   73}
   (  segid "    " and resid  26  and name HE% )
   (( segid "    " and resid  26  and name HA  ))
      3.600     1.600     1.600 peak    73 spectrum    1 weight  0.10000E+01 volume  0.66094E-06 ppm1      6.703 ppm2      3.979 CV     1
 OR {   73}
   (  segid "    " and resid  26  and name HE% )
   (( segid "    " and resid  23  and name HA  ))
 ASSI {  110}
   (  segid "    " and resid  52  and name HD% )
   (( segid "    " and resid  52  and name HA  ))
      2.600     0.900     0.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.57745E-05 ppm1      7.385 ppm2      4.034 CV     1
 OR {  110}
   (  segid "    " and resid  52  and name HD% )
   (( segid "    " and resid  51  and name HA  ))
 ASSI {  121}
   (  segid "    " and resid  52  and name HE% )
   (( segid "    " and resid  49  and name HA  ))
      3.600     3.600     2.400 peak   121 spectrum    1 weight  0.10000E+01 volume  0.30199E-06 ppm1      6.933 ppm2      3.477 CV     1
 OR {  121}
   (  segid "    " and resid  52  and name HE% )
   (( segid "    " and resid  24  and name HA  ))
 ASSI {  154}
   (  segid "    " and resid  61  and name HD% )
   (( segid "    " and resid  60  and name HA  ))
      3.800     1.800     1.800 peak   154 spectrum    1 weight  0.10000E+01 volume  0.53993E-06 ppm1      7.024 ppm2      4.944 CV     1
 OR {  154}
   (  segid "    " and resid  61  and name HD% )
   (( segid "    " and resid  37  and name HA  ))
 ASSI {  169}
   (  segid "    " and resid  63  and name HD% )
   (( segid "    " and resid  66  and name HA  ))
      3.400     1.500     1.500 peak   169 spectrum    1 weight  0.10000E+01 volume  0.75139E-06 ppm1      6.729 ppm2      4.505 CV     1
 OR {  169}
   (  segid "    " and resid  63  and name HD% )
   (( segid "    " and resid  67  and name HA  ))
 ASSI {  186}
   (  segid "    " and resid  63  and name HE% )
   (( segid "    " and resid  70  and name HB2 ))
      3.200     1.300     1.300 peak   186 spectrum    1 weight  0.10000E+01 volume  0.96700E-06 ppm1      7.258 ppm2      2.244 CV     1
 OR {  186}
   (  segid "    " and resid  63  and name HE% )
   (( segid "    " and resid  69  and name HB3 ))
 OR {  186}
   (  segid "    " and resid  63  and name HE% )
   (( segid "    " and resid  70  and name HB3 ))
 ASSI {  202}
   (( segid "    " and resid  63  and name HZ  ))
   (( segid "    " and resid  70  and name HB2 ))
      3.100     1.200     1.200 peak   202 spectrum    1 weight  0.10000E+01 volume  0.19462E-05 ppm1      7.314 ppm2      2.244 CV     1
 OR {  202}
   (( segid "    " and resid  63  and name HZ  ))
   (( segid "    " and resid  69  and name HB3 ))
 OR {  202}
   (( segid "    " and resid  63  and name HZ  ))
   (( segid "    " and resid  69  and name HB2 ))
 ASSI {  203}
   (( segid "    " and resid  63  and name HZ  ))
   (  segid "    " and resid  63  and name HD% )
      2.700     0.900     0.900 peak   203 spectrum    1 weight  0.10000E+01 volume  0.11046E-04 ppm1      7.315 ppm2      6.698 CV     1
 OR {  203}
   (( segid "    " and resid  63  and name HZ  ))
   (  segid "    " and resid   3  and name HE% )


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