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
143980 2kko 16368 cing 1-original 4 XPLOR/CNS chemical shift


! ALA 2
 assign (segid A and resid   1 and name C ) (segid A and resid   2 and name N ) (segid A and resid   2 and name CA )
        (segid A and resid   2 and name C ) (segid A and resid   3 and name N ) 52.5 19.2
! GLY 3
 assign (segid A and resid   2 and name C ) (segid A and resid   3 and name N ) (segid A and resid   3 and name CA )
        (segid A and resid   3 and name C ) (segid A and resid   4 and name N ) 45.2  $noexpectation
! GLN 4
 assign (segid A and resid   3 and name C ) (segid A and resid   4 and name N ) (segid A and resid   4 and name CA )
        (segid A and resid   4 and name C ) (segid A and resid   5 and name N ) 56.6 29.37
! SER 5
 assign (segid A and resid   4 and name C ) (segid A and resid   5 and name N ) (segid A and resid   5 and name CA )
        (segid A and resid   5 and name C ) (segid A and resid   6 and name N ) 59.1 63.55
! ASP 6
 assign (segid A and resid   5 and name C ) (segid A and resid   6 and name N ) (segid A and resid   6 and name CA )
        (segid A and resid   6 and name C ) (segid A and resid   7 and name N ) 55.1 40.88
! ARG 7
 assign (segid A and resid   6 and name C ) (segid A and resid   7 and name N ) (segid A and resid   7 and name CA )
        (segid A and resid   7 and name C ) (segid A and resid   8 and name N ) 58 30.1
! LYS 8
 assign (segid A and resid   7 and name C ) (segid A and resid   8 and name N ) (segid A and resid   8 and name CA )
        (segid A and resid   8 and name C ) (segid A and resid   9 and name N ) 58.45 31.7
! ALA 9
 assign (segid A and resid   8 and name C ) (segid A and resid   9 and name N ) (segid A and resid   9 and name CA )
        (segid A and resid   9 and name C ) (segid A and resid  10 and name N ) 55.15 18.1
! ALA 10
 assign (segid A and resid   9 and name C ) (segid A and resid  10 and name N ) (segid A and resid  10 and name CA )
        (segid A and resid  10 and name C ) (segid A and resid  11 and name N ) 54.66 18.1
! LEU 11
 assign (segid A and resid  10 and name C ) (segid A and resid  11 and name N ) (segid A and resid  11 and name CA )
        (segid A and resid  11 and name C ) (segid A and resid  12 and name N ) 57.8 41.7
! LEU 12
 assign (segid A and resid  11 and name C ) (segid A and resid  12 and name N ) (segid A and resid  12 and name CA )
        (segid A and resid  12 and name C ) (segid A and resid  13 and name N ) 58.23 40.19
! ASP 13
 assign (segid A and resid  12 and name C ) (segid A and resid  13 and name N ) (segid A and resid  13 and name CA )
        (segid A and resid  13 and name C ) (segid A and resid  14 and name N ) 57.5 40.61
! GLN 14
 assign (segid A and resid  13 and name C ) (segid A and resid  14 and name N ) (segid A and resid  14 and name CA )
        (segid A and resid  14 and name C ) (segid A and resid  15 and name N ) 58.16 27.85
! VAL 15
 assign (segid A and resid  14 and name C ) (segid A and resid  15 and name N ) (segid A and resid  15 and name CA )
        (segid A and resid  15 and name C ) (segid A and resid  16 and name N ) 66.72 30.5
! ALA 16
 assign (segid A and resid  15 and name C ) (segid A and resid  16 and name N ) (segid A and resid  16 and name CA )
        (segid A and resid  16 and name C ) (segid A and resid  17 and name N ) 54.68 17.63
! ARG 17
 assign (segid A and resid  16 and name C ) (segid A and resid  17 and name N ) (segid A and resid  17 and name CA )
        (segid A and resid  17 and name C ) (segid A and resid  18 and name N ) 59.7 30.3
! VAL 18
 assign (segid A and resid  17 and name C ) (segid A and resid  18 and name N ) (segid A and resid  18 and name CA )
        (segid A and resid  18 and name C ) (segid A and resid  19 and name N ) 66.7 31.3
! GLY 19
 assign (segid A and resid  18 and name C ) (segid A and resid  19 and name N ) (segid A and resid  19 and name CA )
        (segid A and resid  19 and name C ) (segid A and resid  20 and name N ) 48.5  $noexpectation
! LYS 20
 assign (segid A and resid  19 and name C ) (segid A and resid  20 and name N ) (segid A and resid  20 and name CA )
        (segid A and resid  20 and name C ) (segid A and resid  21 and name N ) 59.38 32.67
! ALA 21
 assign (segid A and resid  20 and name C ) (segid A and resid  21 and name N ) (segid A and resid  21 and name CA )
        (segid A and resid  21 and name C ) (segid A and resid  22 and name N ) 55.26 19.26
! LEU 22
 assign (segid A and resid  21 and name C ) (segid A and resid  22 and name N ) (segid A and resid  22 and name CA )
        (segid A and resid  22 and name C ) (segid A and resid  23 and name N ) 54.6 42.9
! ALA 23
 assign (segid A and resid  22 and name C ) (segid A and resid  23 and name N ) (segid A and resid  23 and name CA )
        (segid A and resid  23 and name C ) (segid A and resid  24 and name N ) 53 18.2
! ASN 24
 assign (segid A and resid  23 and name C ) (segid A and resid  24 and name N ) (segid A and resid  24 and name CA )
        (segid A and resid  24 and name C ) (segid A and resid  25 and name N ) 53.5 41.75
! GLY 25
 assign (segid A and resid  24 and name C ) (segid A and resid  25 and name N ) (segid A and resid  25 and name CA )
        (segid A and resid  25 and name C ) (segid A and resid  26 and name N ) 47.69  $noexpectation
! ARG 26
 assign (segid A and resid  25 and name C ) (segid A and resid  26 and name N ) (segid A and resid  26 and name CA )
        (segid A and resid  26 and name C ) (segid A and resid  27 and name N ) 57.11 29.9
! ARG 27
 assign (segid A and resid  26 and name C ) (segid A and resid  27 and name N ) (segid A and resid  27 and name CA )
        (segid A and resid  27 and name C ) (segid A and resid  28 and name N ) 61 30.33
! LEU 28
 assign (segid A and resid  27 and name C ) (segid A and resid  28 and name N ) (segid A and resid  28 and name CA )
        (segid A and resid  28 and name C ) (segid A and resid  29 and name N ) 57.6 41.81
! GLN 29
 assign (segid A and resid  28 and name C ) (segid A and resid  29 and name N ) (segid A and resid  29 and name CA )
        (segid A and resid  29 and name C ) (segid A and resid  30 and name N ) 59.16 28.88
! ILE 30
 assign (segid A and resid  29 and name C ) (segid A and resid  30 and name N ) (segid A and resid  30 and name CA )
        (segid A and resid  30 and name C ) (segid A and resid  31 and name N ) 65.9 37.4
! LEU 31
 assign (segid A and resid  30 and name C ) (segid A and resid  31 and name N ) (segid A and resid  31 and name CA )
        (segid A and resid  31 and name C ) (segid A and resid  32 and name N ) 58.17 41.19
! ASP 32
 assign (segid A and resid  31 and name C ) (segid A and resid  32 and name N ) (segid A and resid  32 and name CA )
        (segid A and resid  32 and name C ) (segid A and resid  33 and name N ) 57.4 42.4
! LEU 33
 assign (segid A and resid  32 and name C ) (segid A and resid  33 and name N ) (segid A and resid  33 and name CA )
        (segid A and resid  33 and name C ) (segid A and resid  34 and name N ) 57.67 42.38
! LEU 34
 assign (segid A and resid  33 and name C ) (segid A and resid  34 and name N ) (segid A and resid  34 and name CA )
        (segid A and resid  34 and name C ) (segid A and resid  35 and name N ) 55.8 41.42
! ALA 35
 assign (segid A and resid  34 and name C ) (segid A and resid  35 and name N ) (segid A and resid  35 and name CA )
        (segid A and resid  35 and name C ) (segid A and resid  36 and name N ) 54.9 17.5
! GLN 36
 assign (segid A and resid  35 and name C ) (segid A and resid  36 and name N ) (segid A and resid  36 and name CA )
        (segid A and resid  36 and name C ) (segid A and resid  37 and name N ) 55.86 29.07
! GLY 37
 assign (segid A and resid  36 and name C ) (segid A and resid  37 and name N ) (segid A and resid  37 and name CA )
        (segid A and resid  37 and name C ) (segid A and resid  38 and name N ) 44.5  $noexpectation
! GLU 38
 assign (segid A and resid  37 and name C ) (segid A and resid  38 and name N ) (segid A and resid  38 and name CA )
        (segid A and resid  38 and name C ) (segid A and resid  39 and name N ) 56.4 31.2
! ARG 39
 assign (segid A and resid  38 and name C ) (segid A and resid  39 and name N ) (segid A and resid  39 and name CA )
        (segid A and resid  39 and name C ) (segid A and resid  40 and name N ) 53.9 36.4
! ALA 40
 assign (segid A and resid  39 and name C ) (segid A and resid  40 and name N ) (segid A and resid  40 and name CA )
        (segid A and resid  40 and name C ) (segid A and resid  41 and name N ) 51.16 19.2
! VAL 41
 assign (segid A and resid  40 and name C ) (segid A and resid  41 and name N ) (segid A and resid  41 and name CA )
        (segid A and resid  41 and name C ) (segid A and resid  42 and name N ) 67.6 31.6
! GLU 42
 assign (segid A and resid  41 and name C ) (segid A and resid  42 and name N ) (segid A and resid  42 and name CA )
        (segid A and resid  42 and name C ) (segid A and resid  43 and name N ) 60.72 28.3
! ALA 43
 assign (segid A and resid  42 and name C ) (segid A and resid  43 and name N ) (segid A and resid  43 and name CA )
        (segid A and resid  43 and name C ) (segid A and resid  44 and name N ) 54.19 19.1
! ILE 44
 assign (segid A and resid  43 and name C ) (segid A and resid  44 and name N ) (segid A and resid  44 and name CA )
        (segid A and resid  44 and name C ) (segid A and resid  45 and name N ) 64.82 38.1
! ALA 45
 assign (segid A and resid  44 and name C ) (segid A and resid  45 and name N ) (segid A and resid  45 and name CA )
        (segid A and resid  45 and name C ) (segid A and resid  46 and name N ) 56.25 17.45
! THR 46
 assign (segid A and resid  45 and name C ) (segid A and resid  46 and name N ) (segid A and resid  46 and name CA )
        (segid A and resid  46 and name C ) (segid A and resid  47 and name N ) 66.4 68.85
! ALA 47
 assign (segid A and resid  46 and name C ) (segid A and resid  47 and name N ) (segid A and resid  47 and name CA )
        (segid A and resid  47 and name C ) (segid A and resid  48 and name N ) 54.85 19.8
! THR 48
 assign (segid A and resid  47 and name C ) (segid A and resid  48 and name N ) (segid A and resid  48 and name CA )
        (segid A and resid  48 and name C ) (segid A and resid  49 and name N ) 61.89 71.07
! GLY 49
 assign (segid A and resid  48 and name C ) (segid A and resid  49 and name N ) (segid A and resid  49 and name CA )
        (segid A and resid  49 and name C ) (segid A and resid  50 and name N ) 46.37  $noexpectation
! MET 50
 assign (segid A and resid  49 and name C ) (segid A and resid  50 and name N ) (segid A and resid  50 and name CA )
        (segid A and resid  50 and name C ) (segid A and resid  51 and name N ) 55.1 37.27
! ASN 51
 assign (segid A and resid  50 and name C ) (segid A and resid  51 and name N ) (segid A and resid  51 and name CA )
        (segid A and resid  51 and name C ) (segid A and resid  52 and name N ) 52.8 41.15
! LEU 52
 assign (segid A and resid  51 and name C ) (segid A and resid  52 and name N ) (segid A and resid  52 and name CA )
        (segid A and resid  52 and name C ) (segid A and resid  53 and name N ) 59 41.88
! THR 53
 assign (segid A and resid  52 and name C ) (segid A and resid  53 and name N ) (segid A and resid  53 and name CA )
        (segid A and resid  53 and name C ) (segid A and resid  54 and name N ) 66.56 68.4
! THR 54
 assign (segid A and resid  53 and name C ) (segid A and resid  54 and name N ) (segid A and resid  54 and name CA )
        (segid A and resid  54 and name C ) (segid A and resid  55 and name N ) 66.6 66.6
! ALA 55
 assign (segid A and resid  54 and name C ) (segid A and resid  55 and name N ) (segid A and resid  55 and name CA )
        (segid A and resid  55 and name C ) (segid A and resid  56 and name N ) 56.1 17
! SER 56
 assign (segid A and resid  55 and name C ) (segid A and resid  56 and name N ) (segid A and resid  56 and name CA )
        (segid A and resid  56 and name C ) (segid A and resid  57 and name N ) 62.6 62.7
! ALA 57
 assign (segid A and resid  56 and name C ) (segid A and resid  57 and name N ) (segid A and resid  57 and name CA )
        (segid A and resid  57 and name C ) (segid A and resid  58 and name N ) 55.29 17.99
! ASN 58
 assign (segid A and resid  57 and name C ) (segid A and resid  58 and name N ) (segid A and resid  58 and name CA )
        (segid A and resid  58 and name C ) (segid A and resid  59 and name N ) 57 39.89
! LEU 59
 assign (segid A and resid  58 and name C ) (segid A and resid  59 and name N ) (segid A and resid  59 and name CA )
        (segid A and resid  59 and name C ) (segid A and resid  60 and name N ) 58.5 40.55
! GLN 60
 assign (segid A and resid  59 and name C ) (segid A and resid  60 and name N ) (segid A and resid  60 and name CA )
        (segid A and resid  60 and name C ) (segid A and resid  61 and name N ) 58.8 27.7
! ALA 61
 assign (segid A and resid  60 and name C ) (segid A and resid  61 and name N ) (segid A and resid  61 and name CA )
        (segid A and resid  61 and name C ) (segid A and resid  62 and name N ) 55.04 17.6
! LEU 62
 assign (segid A and resid  61 and name C ) (segid A and resid  62 and name N ) (segid A and resid  62 and name CA )
        (segid A and resid  62 and name C ) (segid A and resid  63 and name N ) 58.1 43.4
! LYS 63
 assign (segid A and resid  62 and name C ) (segid A and resid  63 and name N ) (segid A and resid  63 and name CA )
        (segid A and resid  63 and name C ) (segid A and resid  64 and name N ) 59.7 32.65
! SER 64
 assign (segid A and resid  63 and name C ) (segid A and resid  64 and name N ) (segid A and resid  64 and name CA )
        (segid A and resid  64 and name C ) (segid A and resid  65 and name N ) 61.48 63
! GLY 65
 assign (segid A and resid  64 and name C ) (segid A and resid  65 and name N ) (segid A and resid  65 and name CA )
        (segid A and resid  65 and name C ) (segid A and resid  66 and name N ) 45.1  $noexpectation
! GLY 66
 assign (segid A and resid  65 and name C ) (segid A and resid  66 and name N ) (segid A and resid  66 and name CA )
        (segid A and resid  66 and name C ) (segid A and resid  67 and name N ) 45.4  $noexpectation
! LEU 67
 assign (segid A and resid  66 and name C ) (segid A and resid  67 and name N ) (segid A and resid  67 and name CA )
        (segid A and resid  67 and name C ) (segid A and resid  68 and name N ) 55.5 42.46
! VAL 68
 assign (segid A and resid  67 and name C ) (segid A and resid  68 and name N ) (segid A and resid  68 and name CA )
        (segid A and resid  68 and name C ) (segid A and resid  69 and name N ) 57.48 36.29
! GLU 69
 assign (segid A and resid  68 and name C ) (segid A and resid  69 and name N ) (segid A and resid  69 and name CA )
        (segid A and resid  69 and name C ) (segid A and resid  70 and name N ) 54.3 34.17
! ALA 70
 assign (segid A and resid  69 and name C ) (segid A and resid  70 and name N ) (segid A and resid  70 and name CA )
        (segid A and resid  70 and name C ) (segid A and resid  71 and name N ) 50 22.39
! ARG 71
 assign (segid A and resid  70 and name C ) (segid A and resid  71 and name N ) (segid A and resid  71 and name CA )
        (segid A and resid  71 and name C ) (segid A and resid  72 and name N ) 54.6 33.6
! ARG 72
 assign (segid A and resid  71 and name C ) (segid A and resid  72 and name N ) (segid A and resid  72 and name CA )
        (segid A and resid  72 and name C ) (segid A and resid  73 and name N ) 54.96 32.5
! GLU 73
 assign (segid A and resid  72 and name C ) (segid A and resid  73 and name N ) (segid A and resid  73 and name CA )
        (segid A and resid  73 and name C ) (segid A and resid  74 and name N ) 55.7 31.8
! GLY 74
 assign (segid A and resid  73 and name C ) (segid A and resid  74 and name N ) (segid A and resid  74 and name CA )
        (segid A and resid  74 and name C ) (segid A and resid  75 and name N ) 47.1  $noexpectation
! THR 75
 assign (segid A and resid  74 and name C ) (segid A and resid  75 and name N ) (segid A and resid  75 and name CA )
        (segid A and resid  75 and name C ) (segid A and resid  76 and name N ) 62.05 69
! ARG 76
 assign (segid A and resid  75 and name C ) (segid A and resid  76 and name N ) (segid A and resid  76 and name CA )
        (segid A and resid  76 and name C ) (segid A and resid  77 and name N ) 55.5 32.77
! GLN 77
 assign (segid A and resid  76 and name C ) (segid A and resid  77 and name N ) (segid A and resid  77 and name CA )
        (segid A and resid  77 and name C ) (segid A and resid  78 and name N ) 54.7 31.88
! TYR 78
 assign (segid A and resid  77 and name C ) (segid A and resid  78 and name N ) (segid A and resid  78 and name CA )
        (segid A and resid  78 and name C ) (segid A and resid  79 and name N ) 57 41.47
! TYR 79
 assign (segid A and resid  78 and name C ) (segid A and resid  79 and name N ) (segid A and resid  79 and name CA )
        (segid A and resid  79 and name C ) (segid A and resid  80 and name N ) 57.3 43.3
! ARG 80
 assign (segid A and resid  79 and name C ) (segid A and resid  80 and name N ) (segid A and resid  80 and name CA )
        (segid A and resid  80 and name C ) (segid A and resid  81 and name N ) 53.2 34.01
! ILE 81
 assign (segid A and resid  80 and name C ) (segid A and resid  81 and name N ) (segid A and resid  81 and name CA )
        (segid A and resid  81 and name C ) (segid A and resid  82 and name N ) 62.3 37.8
! ALA 82
 assign (segid A and resid  81 and name C ) (segid A and resid  82 and name N ) (segid A and resid  82 and name CA )
        (segid A and resid  82 and name C ) (segid A and resid  83 and name N ) 54.2 18.5
! GLY 83
 assign (segid A and resid  82 and name C ) (segid A and resid  83 and name N ) (segid A and resid  83 and name CA )
        (segid A and resid  83 and name C ) (segid A and resid  84 and name N ) 45.2  $noexpectation
! GLU 84
 assign (segid A and resid  83 and name C ) (segid A and resid  84 and name N ) (segid A and resid  84 and name CA )
        (segid A and resid  84 and name C ) (segid A and resid  85 and name N ) 58.97 29.47
! ASP 85
 assign (segid A and resid  84 and name C ) (segid A and resid  85 and name N ) (segid A and resid  85 and name CA )
        (segid A and resid  85 and name C ) (segid A and resid  86 and name N ) 57.1 38.95
! VAL 86
 assign (segid A and resid  85 and name C ) (segid A and resid  86 and name N ) (segid A and resid  86 and name CA )
        (segid A and resid  86 and name C ) (segid A and resid  87 and name N ) 66.87 31.3
! ALA 87
 assign (segid A and resid  86 and name C ) (segid A and resid  87 and name N ) (segid A and resid  87 and name CA )
        (segid A and resid  87 and name C ) (segid A and resid  88 and name N ) 55.88 17.6
! ARG 88
 assign (segid A and resid  87 and name C ) (segid A and resid  88 and name N ) (segid A and resid  88 and name CA )
        (segid A and resid  88 and name C ) (segid A and resid  89 and name N ) 59.66 30.5
! LEU 89
 assign (segid A and resid  88 and name C ) (segid A and resid  89 and name N ) (segid A and resid  89 and name CA )
        (segid A and resid  89 and name C ) (segid A and resid  90 and name N ) 58.35 41.3
! PHE 90
 assign (segid A and resid  89 and name C ) (segid A and resid  90 and name N ) (segid A and resid  90 and name CA )
        (segid A and resid  90 and name C ) (segid A and resid  91 and name N ) 59.47 38.6
! ALA 91
 assign (segid A and resid  90 and name C ) (segid A and resid  91 and name N ) (segid A and resid  91 and name CA )
        (segid A and resid  91 and name C ) (segid A and resid  92 and name N ) 55.1 18
! LEU 92
 assign (segid A and resid  91 and name C ) (segid A and resid  92 and name N ) (segid A and resid  92 and name CA )
        (segid A and resid  92 and name C ) (segid A and resid  93 and name N ) 57.43 41.99
! VAL 93
 assign (segid A and resid  92 and name C ) (segid A and resid  93 and name N ) (segid A and resid  93 and name CA )
        (segid A and resid  93 and name C ) (segid A and resid  94 and name N ) 66.13 31.25
! GLN 94
 assign (segid A and resid  93 and name C ) (segid A and resid  94 and name N ) (segid A and resid  94 and name CA )
        (segid A and resid  94 and name C ) (segid A and resid  95 and name N ) 60 30.21
! VAL 95
 assign (segid A and resid  94 and name C ) (segid A and resid  95 and name N ) (segid A and resid  95 and name CA )
        (segid A and resid  95 and name C ) (segid A and resid  96 and name N ) 66.6 32.03
! VAL 96
 assign (segid A and resid  95 and name C ) (segid A and resid  96 and name N ) (segid A and resid  96 and name CA )
        (segid A and resid  96 and name C ) (segid A and resid  97 and name N ) 66.1 32.2
! ALA 97
 assign (segid A and resid  96 and name C ) (segid A and resid  97 and name N ) (segid A and resid  97 and name CA )
        (segid A and resid  97 and name C ) (segid A and resid  98 and name N ) 54.9 19.98
! ASP 98
 assign (segid A and resid  97 and name C ) (segid A and resid  98 and name N ) (segid A and resid  98 and name CA )
        (segid A and resid  98 and name C ) (segid A and resid  99 and name N ) 57.28 41.87
! GLU 99
 assign (segid A and resid  98 and name C ) (segid A and resid  99 and name N ) (segid A and resid  99 and name CA )
        (segid A and resid  99 and name C ) (segid A and resid 100 and name N ) 58.3 29.8
! HIS 100
 assign (segid A and resid  99 and name C ) (segid A and resid 100 and name N ) (segid A and resid 100 and name CA )
        (segid A and resid 100 and name C ) (segid A and resid 101 and name N ) 57.5 30.8
! LEU 101
 assign (segid A and resid 100 and name C ) (segid A and resid 101 and name N ) (segid A and resid 101 and name CA )
        (segid A and resid 101 and name C ) (segid A and resid 102 and name N ) 55.9 42.17
! GLU 102
 assign (segid A and resid 101 and name C ) (segid A and resid 102 and name N ) (segid A and resid 102 and name CA )
        (segid A and resid 102 and name C ) (segid A and resid 103 and name N ) 57.1 29.9
! HIS 103
 assign (segid A and resid 102 and name C ) (segid A and resid 103 and name N ) (segid A and resid 103 and name CA )
        (segid A and resid 103 and name C ) (segid A and resid 104 and name N ) 56.1 29.7
! HIS 107
 assign (segid A and resid 106 and name C ) (segid A and resid 107 and name N ) (segid A and resid 107 and name CA )
        (segid A and resid 107 and name C ) (segid A and resid 108 and name N ) 55.9 30.2

! ALA 2
 assign (segid B and resid   1 and name C ) (segid B and resid   2 and name N ) (segid B and resid   2 and name CA )
        (segid B and resid   2 and name C ) (segid B and resid   3 and name N ) 52.5 19.2
! GLY 3
 assign (segid B and resid   2 and name C ) (segid B and resid   3 and name N ) (segid B and resid   3 and name CA )
        (segid B and resid   3 and name C ) (segid B and resid   4 and name N ) 45.2  $noexpectation
! GLN 4
 assign (segid B and resid   3 and name C ) (segid B and resid   4 and name N ) (segid B and resid   4 and name CA )
        (segid B and resid   4 and name C ) (segid B and resid   5 and name N ) 56.6 29.37
! SER 5
 assign (segid B and resid   4 and name C ) (segid B and resid   5 and name N ) (segid B and resid   5 and name CA )
        (segid B and resid   5 and name C ) (segid B and resid   6 and name N ) 59.1 63.55
! ASP 6
 assign (segid B and resid   5 and name C ) (segid B and resid   6 and name N ) (segid B and resid   6 and name CA )
        (segid B and resid   6 and name C ) (segid B and resid   7 and name N ) 55.1 40.88
! ARG 7
 assign (segid B and resid   6 and name C ) (segid B and resid   7 and name N ) (segid B and resid   7 and name CA )
        (segid B and resid   7 and name C ) (segid B and resid   8 and name N ) 58 30.1
! LYS 8
 assign (segid B and resid   7 and name C ) (segid B and resid   8 and name N ) (segid B and resid   8 and name CA )
        (segid B and resid   8 and name C ) (segid B and resid   9 and name N ) 58.45 31.7
! ALA 9
 assign (segid B and resid   8 and name C ) (segid B and resid   9 and name N ) (segid B and resid   9 and name CA )
        (segid B and resid   9 and name C ) (segid B and resid  10 and name N ) 55.15 18.1
! ALA 10
 assign (segid B and resid   9 and name C ) (segid B and resid  10 and name N ) (segid B and resid  10 and name CA )
        (segid B and resid  10 and name C ) (segid B and resid  11 and name N ) 54.66 18.1
! LEU 11
 assign (segid B and resid  10 and name C ) (segid B and resid  11 and name N ) (segid B and resid  11 and name CA )
        (segid B and resid  11 and name C ) (segid B and resid  12 and name N ) 57.8 41.7
! LEU 12
 assign (segid B and resid  11 and name C ) (segid B and resid  12 and name N ) (segid B and resid  12 and name CA )
        (segid B and resid  12 and name C ) (segid B and resid  13 and name N ) 58.23 40.19
! ASP 13
 assign (segid B and resid  12 and name C ) (segid B and resid  13 and name N ) (segid B and resid  13 and name CA )
        (segid B and resid  13 and name C ) (segid B and resid  14 and name N ) 57.5 40.61
! GLN 14
 assign (segid B and resid  13 and name C ) (segid B and resid  14 and name N ) (segid B and resid  14 and name CA )
        (segid B and resid  14 and name C ) (segid B and resid  15 and name N ) 58.16 27.85
! VAL 15
 assign (segid B and resid  14 and name C ) (segid B and resid  15 and name N ) (segid B and resid  15 and name CA )
        (segid B and resid  15 and name C ) (segid B and resid  16 and name N ) 66.72 30.5
! ALA 16
 assign (segid B and resid  15 and name C ) (segid B and resid  16 and name N ) (segid B and resid  16 and name CA )
        (segid B and resid  16 and name C ) (segid B and resid  17 and name N ) 54.68 17.63
! ARG 17
 assign (segid B and resid  16 and name C ) (segid B and resid  17 and name N ) (segid B and resid  17 and name CA )
        (segid B and resid  17 and name C ) (segid B and resid  18 and name N ) 59.7 30.3
! VAL 18
 assign (segid B and resid  17 and name C ) (segid B and resid  18 and name N ) (segid B and resid  18 and name CA )
        (segid B and resid  18 and name C ) (segid B and resid  19 and name N ) 66.7 31.3
! GLY 19
 assign (segid B and resid  18 and name C ) (segid B and resid  19 and name N ) (segid B and resid  19 and name CA )
        (segid B and resid  19 and name C ) (segid B and resid  20 and name N ) 48.5  $noexpectation
! LYS 20
 assign (segid B and resid  19 and name C ) (segid B and resid  20 and name N ) (segid B and resid  20 and name CA )
        (segid B and resid  20 and name C ) (segid B and resid  21 and name N ) 59.38 32.67
! ALA 21
 assign (segid B and resid  20 and name C ) (segid B and resid  21 and name N ) (segid B and resid  21 and name CA )
        (segid B and resid  21 and name C ) (segid B and resid  22 and name N ) 55.26 19.26
! LEU 22
 assign (segid B and resid  21 and name C ) (segid B and resid  22 and name N ) (segid B and resid  22 and name CA )
        (segid B and resid  22 and name C ) (segid B and resid  23 and name N ) 54.6 42.9
! ALA 23
 assign (segid B and resid  22 and name C ) (segid B and resid  23 and name N ) (segid B and resid  23 and name CA )
        (segid B and resid  23 and name C ) (segid B and resid  24 and name N ) 53 18.2
! ASN 24
 assign (segid B and resid  23 and name C ) (segid B and resid  24 and name N ) (segid B and resid  24 and name CA )
        (segid B and resid  24 and name C ) (segid B and resid  25 and name N ) 53.5 41.75
! GLY 25
 assign (segid B and resid  24 and name C ) (segid B and resid  25 and name N ) (segid B and resid  25 and name CA )
        (segid B and resid  25 and name C ) (segid B and resid  26 and name N ) 47.69  $noexpectation
! ARG 26
 assign (segid B and resid  25 and name C ) (segid B and resid  26 and name N ) (segid B and resid  26 and name CA )
        (segid B and resid  26 and name C ) (segid B and resid  27 and name N ) 57.11 29.9
! ARG 27
 assign (segid B and resid  26 and name C ) (segid B and resid  27 and name N ) (segid B and resid  27 and name CA )
        (segid B and resid  27 and name C ) (segid B and resid  28 and name N ) 61 30.33
! LEU 28
 assign (segid B and resid  27 and name C ) (segid B and resid  28 and name N ) (segid B and resid  28 and name CA )
        (segid B and resid  28 and name C ) (segid B and resid  29 and name N ) 57.6 41.81
! GLN 29
 assign (segid B and resid  28 and name C ) (segid B and resid  29 and name N ) (segid B and resid  29 and name CA )
        (segid B and resid  29 and name C ) (segid B and resid  30 and name N ) 59.16 28.88
! ILE 30
 assign (segid B and resid  29 and name C ) (segid B and resid  30 and name N ) (segid B and resid  30 and name CA )
        (segid B and resid  30 and name C ) (segid B and resid  31 and name N ) 65.9 37.4
! LEU 31
 assign (segid B and resid  30 and name C ) (segid B and resid  31 and name N ) (segid B and resid  31 and name CA )
        (segid B and resid  31 and name C ) (segid B and resid  32 and name N ) 58.17 41.19
! ASP 32
 assign (segid B and resid  31 and name C ) (segid B and resid  32 and name N ) (segid B and resid  32 and name CA )
        (segid B and resid  32 and name C ) (segid B and resid  33 and name N ) 57.4 42.4
! LEU 33
 assign (segid B and resid  32 and name C ) (segid B and resid  33 and name N ) (segid B and resid  33 and name CA )
        (segid B and resid  33 and name C ) (segid B and resid  34 and name N ) 57.67 42.38
! LEU 34
 assign (segid B and resid  33 and name C ) (segid B and resid  34 and name N ) (segid B and resid  34 and name CA )
        (segid B and resid  34 and name C ) (segid B and resid  35 and name N ) 55.8 41.42
! ALA 35
 assign (segid B and resid  34 and name C ) (segid B and resid  35 and name N ) (segid B and resid  35 and name CA )
        (segid B and resid  35 and name C ) (segid B and resid  36 and name N ) 54.9 17.5
! GLN 36
 assign (segid B and resid  35 and name C ) (segid B and resid  36 and name N ) (segid B and resid  36 and name CA )
        (segid B and resid  36 and name C ) (segid B and resid  37 and name N ) 55.86 29.07
! GLY 37
 assign (segid B and resid  36 and name C ) (segid B and resid  37 and name N ) (segid B and resid  37 and name CA )
        (segid B and resid  37 and name C ) (segid B and resid  38 and name N ) 44.5  $noexpectation
! GLU 38
 assign (segid B and resid  37 and name C ) (segid B and resid  38 and name N ) (segid B and resid  38 and name CA )
        (segid B and resid  38 and name C ) (segid B and resid  39 and name N ) 56.4 31.2
! ARG 39
 assign (segid B and resid  38 and name C ) (segid B and resid  39 and name N ) (segid B and resid  39 and name CA )
        (segid B and resid  39 and name C ) (segid B and resid  40 and name N ) 53.9 36.4
! ALA 40
 assign (segid B and resid  39 and name C ) (segid B and resid  40 and name N ) (segid B and resid  40 and name CA )
        (segid B and resid  40 and name C ) (segid B and resid  41 and name N ) 51.16 19.2
! VAL 41
 assign (segid B and resid  40 and name C ) (segid B and resid  41 and name N ) (segid B and resid  41 and name CA )
        (segid B and resid  41 and name C ) (segid B and resid  42 and name N ) 67.6 31.6
! GLU 42
 assign (segid B and resid  41 and name C ) (segid B and resid  42 and name N ) (segid B and resid  42 and name CA )
        (segid B and resid  42 and name C ) (segid B and resid  43 and name N ) 60.72 28.3
! ALA 43
 assign (segid B and resid  42 and name C ) (segid B and resid  43 and name N ) (segid B and resid  43 and name CA )
        (segid B and resid  43 and name C ) (segid B and resid  44 and name N ) 54.19 19.1
! ILE 44
 assign (segid B and resid  43 and name C ) (segid B and resid  44 and name N ) (segid B and resid  44 and name CA )
        (segid B and resid  44 and name C ) (segid B and resid  45 and name N ) 64.82 38.1
! ALA 45
 assign (segid B and resid  44 and name C ) (segid B and resid  45 and name N ) (segid B and resid  45 and name CA )
        (segid B and resid  45 and name C ) (segid B and resid  46 and name N ) 56.25 17.45
! THR 46
 assign (segid B and resid  45 and name C ) (segid B and resid  46 and name N ) (segid B and resid  46 and name CA )
        (segid B and resid  46 and name C ) (segid B and resid  47 and name N ) 66.4 68.85
! ALA 47
 assign (segid B and resid  46 and name C ) (segid B and resid  47 and name N ) (segid B and resid  47 and name CA )
        (segid B and resid  47 and name C ) (segid B and resid  48 and name N ) 54.85 19.8
! THR 48
 assign (segid B and resid  47 and name C ) (segid B and resid  48 and name N ) (segid B and resid  48 and name CA )
        (segid B and resid  48 and name C ) (segid B and resid  49 and name N ) 61.89 71.07
! GLY 49
 assign (segid B and resid  48 and name C ) (segid B and resid  49 and name N ) (segid B and resid  49 and name CA )
        (segid B and resid  49 and name C ) (segid B and resid  50 and name N ) 46.37  $noexpectation
! MET 50
 assign (segid B and resid  49 and name C ) (segid B and resid  50 and name N ) (segid B and resid  50 and name CA )
        (segid B and resid  50 and name C ) (segid B and resid  51 and name N ) 55.1 37.27
! ASN 51
 assign (segid B and resid  50 and name C ) (segid B and resid  51 and name N ) (segid B and resid  51 and name CA )
        (segid B and resid  51 and name C ) (segid B and resid  52 and name N ) 52.8 41.15
! LEU 52
 assign (segid B and resid  51 and name C ) (segid B and resid  52 and name N ) (segid B and resid  52 and name CA )
        (segid B and resid  52 and name C ) (segid B and resid  53 and name N ) 59 41.88
! THR 53
 assign (segid B and resid  52 and name C ) (segid B and resid  53 and name N ) (segid B and resid  53 and name CA )
        (segid B and resid  53 and name C ) (segid B and resid  54 and name N ) 66.56 68.4
! THR 54
 assign (segid B and resid  53 and name C ) (segid B and resid  54 and name N ) (segid B and resid  54 and name CA )
        (segid B and resid  54 and name C ) (segid B and resid  55 and name N ) 66.6 66.6
! ALA 55
 assign (segid B and resid  54 and name C ) (segid B and resid  55 and name N ) (segid B and resid  55 and name CA )
        (segid B and resid  55 and name C ) (segid B and resid  56 and name N ) 56.1 17
! SER 56
 assign (segid B and resid  55 and name C ) (segid B and resid  56 and name N ) (segid B and resid  56 and name CA )
        (segid B and resid  56 and name C ) (segid B and resid  57 and name N ) 62.6 62.7
! ALA 57
 assign (segid B and resid  56 and name C ) (segid B and resid  57 and name N ) (segid B and resid  57 and name CA )
        (segid B and resid  57 and name C ) (segid B and resid  58 and name N ) 55.29 17.99
! ASN 58
 assign (segid B and resid  57 and name C ) (segid B and resid  58 and name N ) (segid B and resid  58 and name CA )
        (segid B and resid  58 and name C ) (segid B and resid  59 and name N ) 57 39.89
! LEU 59
 assign (segid B and resid  58 and name C ) (segid B and resid  59 and name N ) (segid B and resid  59 and name CA )
        (segid B and resid  59 and name C ) (segid B and resid  60 and name N ) 58.5 40.55
! GLN 60
 assign (segid B and resid  59 and name C ) (segid B and resid  60 and name N ) (segid B and resid  60 and name CA )
        (segid B and resid  60 and name C ) (segid B and resid  61 and name N ) 58.8 27.7
! ALA 61
 assign (segid B and resid  60 and name C ) (segid B and resid  61 and name N ) (segid B and resid  61 and name CA )
        (segid B and resid  61 and name C ) (segid B and resid  62 and name N ) 55.04 17.6
! LEU 62
 assign (segid B and resid  61 and name C ) (segid B and resid  62 and name N ) (segid B and resid  62 and name CA )
        (segid B and resid  62 and name C ) (segid B and resid  63 and name N ) 58.1 43.4
! LYS 63
 assign (segid B and resid  62 and name C ) (segid B and resid  63 and name N ) (segid B and resid  63 and name CA )
        (segid B and resid  63 and name C ) (segid B and resid  64 and name N ) 59.7 32.65
! SER 64
 assign (segid B and resid  63 and name C ) (segid B and resid  64 and name N ) (segid B and resid  64 and name CA )
        (segid B and resid  64 and name C ) (segid B and resid  65 and name N ) 61.48 63
! GLY 65
 assign (segid B and resid  64 and name C ) (segid B and resid  65 and name N ) (segid B and resid  65 and name CA )
        (segid B and resid  65 and name C ) (segid B and resid  66 and name N ) 45.1  $noexpectation
! GLY 66
 assign (segid B and resid  65 and name C ) (segid B and resid  66 and name N ) (segid B and resid  66 and name CA )
        (segid B and resid  66 and name C ) (segid B and resid  67 and name N ) 45.4  $noexpectation
! LEU 67
 assign (segid B and resid  66 and name C ) (segid B and resid  67 and name N ) (segid B and resid  67 and name CA )
        (segid B and resid  67 and name C ) (segid B and resid  68 and name N ) 55.5 42.46
! VAL 68
 assign (segid B and resid  67 and name C ) (segid B and resid  68 and name N ) (segid B and resid  68 and name CA )
        (segid B and resid  68 and name C ) (segid B and resid  69 and name N ) 57.48 36.29
! GLU 69
 assign (segid B and resid  68 and name C ) (segid B and resid  69 and name N ) (segid B and resid  69 and name CA )
        (segid B and resid  69 and name C ) (segid B and resid  70 and name N ) 54.3 34.17
! ALA 70
 assign (segid B and resid  69 and name C ) (segid B and resid  70 and name N ) (segid B and resid  70 and name CA )
        (segid B and resid  70 and name C ) (segid B and resid  71 and name N ) 50 22.39
! ARG 71
 assign (segid B and resid  70 and name C ) (segid B and resid  71 and name N ) (segid B and resid  71 and name CA )
        (segid B and resid  71 and name C ) (segid B and resid  72 and name N ) 54.6 33.6
! ARG 72
 assign (segid B and resid  71 and name C ) (segid B and resid  72 and name N ) (segid B and resid  72 and name CA )
        (segid B and resid  72 and name C ) (segid B and resid  73 and name N ) 54.96 32.5
! GLU 73
 assign (segid B and resid  72 and name C ) (segid B and resid  73 and name N ) (segid B and resid  73 and name CA )
        (segid B and resid  73 and name C ) (segid B and resid  74 and name N ) 55.7 31.8
! GLY 74
 assign (segid B and resid  73 and name C ) (segid B and resid  74 and name N ) (segid B and resid  74 and name CA )
        (segid B and resid  74 and name C ) (segid B and resid  75 and name N ) 47.1  $noexpectation
! THR 75
 assign (segid B and resid  74 and name C ) (segid B and resid  75 and name N ) (segid B and resid  75 and name CA )
        (segid B and resid  75 and name C ) (segid B and resid  76 and name N ) 62.05 69
! ARG 76
 assign (segid B and resid  75 and name C ) (segid B and resid  76 and name N ) (segid B and resid  76 and name CA )
        (segid B and resid  76 and name C ) (segid B and resid  77 and name N ) 55.5 32.77
! GLN 77
 assign (segid B and resid  76 and name C ) (segid B and resid  77 and name N ) (segid B and resid  77 and name CA )
        (segid B and resid  77 and name C ) (segid B and resid  78 and name N ) 54.7 31.88
! TYR 78
 assign (segid B and resid  77 and name C ) (segid B and resid  78 and name N ) (segid B and resid  78 and name CA )
        (segid B and resid  78 and name C ) (segid B and resid  79 and name N ) 57 41.47
! TYR 79
 assign (segid B and resid  78 and name C ) (segid B and resid  79 and name N ) (segid B and resid  79 and name CA )
        (segid B and resid  79 and name C ) (segid B and resid  80 and name N ) 57.3 43.3
! ARG 80
 assign (segid B and resid  79 and name C ) (segid B and resid  80 and name N ) (segid B and resid  80 and name CA )
        (segid B and resid  80 and name C ) (segid B and resid  81 and name N ) 53.2 34.01
! ILE 81
 assign (segid B and resid  80 and name C ) (segid B and resid  81 and name N ) (segid B and resid  81 and name CA )
        (segid B and resid  81 and name C ) (segid B and resid  82 and name N ) 62.3 37.8
! ALA 82
 assign (segid B and resid  81 and name C ) (segid B and resid  82 and name N ) (segid B and resid  82 and name CA )
        (segid B and resid  82 and name C ) (segid B and resid  83 and name N ) 54.2 18.5
! GLY 83
 assign (segid B and resid  82 and name C ) (segid B and resid  83 and name N ) (segid B and resid  83 and name CA )
        (segid B and resid  83 and name C ) (segid B and resid  84 and name N ) 45.2  $noexpectation
! GLU 84
 assign (segid B and resid  83 and name C ) (segid B and resid  84 and name N ) (segid B and resid  84 and name CA )
        (segid B and resid  84 and name C ) (segid B and resid  85 and name N ) 58.97 29.47
! ASP 85
 assign (segid B and resid  84 and name C ) (segid B and resid  85 and name N ) (segid B and resid  85 and name CA )
        (segid B and resid  85 and name C ) (segid B and resid  86 and name N ) 57.1 38.95
! VAL 86
 assign (segid B and resid  85 and name C ) (segid B and resid  86 and name N ) (segid B and resid  86 and name CA )
        (segid B and resid  86 and name C ) (segid B and resid  87 and name N ) 66.87 31.3
! ALA 87
 assign (segid B and resid  86 and name C ) (segid B and resid  87 and name N ) (segid B and resid  87 and name CA )
        (segid B and resid  87 and name C ) (segid B and resid  88 and name N ) 55.88 17.6
! ARG 88
 assign (segid B and resid  87 and name C ) (segid B and resid  88 and name N ) (segid B and resid  88 and name CA )
        (segid B and resid  88 and name C ) (segid B and resid  89 and name N ) 59.66 30.5
! LEU 89
 assign (segid B and resid  88 and name C ) (segid B and resid  89 and name N ) (segid B and resid  89 and name CA )
        (segid B and resid  89 and name C ) (segid B and resid  90 and name N ) 58.35 41.3
! PHE 90
 assign (segid B and resid  89 and name C ) (segid B and resid  90 and name N ) (segid B and resid  90 and name CA )
        (segid B and resid  90 and name C ) (segid B and resid  91 and name N ) 59.47 38.6
! ALA 91
 assign (segid B and resid  90 and name C ) (segid B and resid  91 and name N ) (segid B and resid  91 and name CA )
        (segid B and resid  91 and name C ) (segid B and resid  92 and name N ) 55.1 18
! LEU 92
 assign (segid B and resid  91 and name C ) (segid B and resid  92 and name N ) (segid B and resid  92 and name CA )
        (segid B and resid  92 and name C ) (segid B and resid  93 and name N ) 57.43 41.99
! VAL 93
 assign (segid B and resid  92 and name C ) (segid B and resid  93 and name N ) (segid B and resid  93 and name CA )
        (segid B and resid  93 and name C ) (segid B and resid  94 and name N ) 66.13 31.25
! GLN 94
 assign (segid B and resid  93 and name C ) (segid B and resid  94 and name N ) (segid B and resid  94 and name CA )
        (segid B and resid  94 and name C ) (segid B and resid  95 and name N ) 60 30.21
! VAL 95
 assign (segid B and resid  94 and name C ) (segid B and resid  95 and name N ) (segid B and resid  95 and name CA )
        (segid B and resid  95 and name C ) (segid B and resid  96 and name N ) 66.6 32.03
! VAL 96
 assign (segid B and resid  95 and name C ) (segid B and resid  96 and name N ) (segid B and resid  96 and name CA )
        (segid B and resid  96 and name C ) (segid B and resid  97 and name N ) 66.1 32.2
! ALA 97
 assign (segid B and resid  96 and name C ) (segid B and resid  97 and name N ) (segid B and resid  97 and name CA )
        (segid B and resid  97 and name C ) (segid B and resid  98 and name N ) 54.9 19.98
! ASP 98
 assign (segid B and resid  97 and name C ) (segid B and resid  98 and name N ) (segid B and resid  98 and name CA )
        (segid B and resid  98 and name C ) (segid B and resid  99 and name N ) 57.28 41.87
! GLU 99
 assign (segid B and resid  98 and name C ) (segid B and resid  99 and name N ) (segid B and resid  99 and name CA )
        (segid B and resid  99 and name C ) (segid B and resid 100 and name N ) 58.3 29.8
! HIS 100
 assign (segid B and resid  99 and name C ) (segid B and resid 100 and name N ) (segid B and resid 100 and name CA )
        (segid B and resid 100 and name C ) (segid B and resid 101 and name N ) 57.5 30.8
! LEU 101
 assign (segid B and resid 100 and name C ) (segid B and resid 101 and name N ) (segid B and resid 101 and name CA )
        (segid B and resid 101 and name C ) (segid B and resid 102 and name N ) 55.9 42.17
! GLU 102
 assign (segid B and resid 101 and name C ) (segid B and resid 102 and name N ) (segid B and resid 102 and name CA )
        (segid B and resid 102 and name C ) (segid B and resid 103 and name N ) 57.1 29.9
! HIS 103
 assign (segid B and resid 102 and name C ) (segid B and resid 103 and name N ) (segid B and resid 103 and name CA )
        (segid B and resid 103 and name C ) (segid B and resid 104 and name N ) 56.1 29.7
! HIS 107
 assign (segid B and resid 106 and name C ) (segid B and resid 107 and name N ) (segid B and resid 107 and name CA )
        (segid B and resid 107 and name C ) (segid B and resid 108 and name N ) 55.9 30.2



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