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
24881 2k5d 15829 cing 1-original 1 XPLOR/CNS distance NOE simple


! Final combined constraints used in the CNS refinement of SaR32[1-108]
! Distance constraints; sum averaging
! 06/26/08
 assign (resid  32 and name HD22 ) (resid  38 and name HA   )  4.39  2.59  0.44
 assign (resid  32 and name HD21 ) (resid  38 and name HA   )  4.39  2.59  0.44
 assign (resid  32 and name HD22 ) (resid  38 and name HB2  )  4.51  2.71  0.45
 assign (resid  32 and name HD21 ) (resid  38 and name HB2  )  4.51  2.71  0.45
 assign (resid  32 and name HB2  ) (resid  32 and name HD21 )  3.58  1.78  0.36
 assign (resid  32 and name HA   ) (resid  32 and name HD22 )  4.56  2.76  0.46
 assign (resid  32 and name HA   ) (resid  32 and name HD21 )  4.56  2.76  0.46
 assign (resid  72 and name HE*  ) (resid  73 and name HD21 )  4.24  2.44  0.42
 assign (resid  72 and name HE*  ) (resid  73 and name HD22 )  4.24  2.44  0.42
 assign (resid  31 and name HE21 ) (resid  35 and name HA2  )  4.64  2.84  0.46
 assign (resid  92 and name HG*  ) (resid  92 and name HE21 )  4.03  2.23  0.40
 assign (resid   2 and name HA   ) (resid   3 and name HN   )  3.10  1.30  0.31
 assign (resid  30 and name HN   ) (resid  38 and name HB1  )  4.24  2.44  0.42
 assign (resid  38 and name HA   ) (resid  39 and name HN   )  2.81  1.01  0.28
 assign (resid  44 and name HA   ) (resid  45 and name HN   )  3.36  1.56  0.34
 assign (resid  20 and name HA   ) (resid  76 and name HN   )  4.37  2.57  0.44
 assign (resid   5 and name HN   ) (resid   5 and name HB*  )  3.32  1.52  0.33
 assign (resid   8 and name HN   ) (resid   8 and name HB   )  3.77  1.97  0.38
 assign (resid   9 and name HN   ) (resid   9 and name HB   )  3.36  1.56  0.34
 assign (resid  14 and name HN   ) (resid  14 and name HB   )  3.84  2.04  0.38
 assign (resid  15 and name HN   ) (resid  15 and name HB   )  3.91  2.11  0.39
 assign (resid  23 and name HN   ) (resid  23 and name HB*  )  3.68  1.88  0.37
 assign (resid  28 and name HN   ) (resid  28 and name HB   )  3.83  2.03  0.38
 assign (resid  30 and name HN   ) (resid  30 and name HB   )  3.20  1.40  0.32
 assign (resid  37 and name HN   ) (resid  37 and name HB   )  3.17  1.37  0.32
 assign (resid  41 and name HN   ) (resid  41 and name HB   )  3.26  1.46  0.33
 assign (resid  45 and name HN   ) (resid  45 and name HB   )  3.79  1.99  0.38
 assign (resid  59 and name HN   ) (resid  59 and name HB   )  4.01  2.21  0.40
 assign (resid  63 and name HN   ) (resid  63 and name HB*  )  3.23  1.43  0.32
 assign (resid  65 and name HN   ) (resid  65 and name HB   )  3.39  1.59  0.34
 assign (resid  74 and name HN   ) (resid  74 and name HB*  )  3.03  1.23  0.30
 assign (resid  79 and name HN   ) (resid  79 and name HB   )  3.86  2.06  0.39
 assign (resid  82 and name HN   ) (resid  82 and name HB   )  4.03  2.23  0.40
 assign (resid  83 and name HN   ) (resid  83 and name HB*  )  3.34  1.54  0.33
 assign (resid  86 and name HN   ) (resid  86 and name HB   )  3.85  2.05  0.38
 assign (resid  87 and name HN   ) (resid  87 and name HB*  )  3.27  1.47  0.33
 assign (resid  89 and name HN   ) (resid  89 and name HB*  )  3.37  1.57  0.34
 assign (resid  90 and name HN   ) (resid  90 and name HB   )  3.80  2.00  0.38
 assign (resid  94 and name HN   ) (resid  94 and name HB*  )  3.09  1.29  0.31
 assign (resid  96 and name HN   ) (resid  96 and name HB   )  3.85  2.05  0.38
 assign (resid 102 and name HN   ) (resid 102 and name HB*  )  3.59  1.79  0.36
 assign (resid 105 and name HN   ) (resid 105 and name HB   )  3.91  2.11  0.39
 assign (resid 108 and name HN   ) (resid 108 and name HB   )  3.74  1.94  0.37
 assign (resid   3 and name HN   ) (resid   3 and name HB2  )  3.80  2.00  0.38
 assign (resid  10 and name HN   ) (resid  10 and name HB*  )  3.78  1.98  0.38
 assign (resid  11 and name HN   ) (resid  11 and name HB2  )  3.87  2.07  0.39
 assign (resid  12 and name HN   ) (resid  12 and name HB*  )  4.07  2.27  0.41
 assign (resid  13 and name HN   ) (resid  13 and name HB*  )  3.29  1.49  0.33
 assign (resid  16 and name HN   ) (resid  16 and name HB2  )  4.17  2.37  0.42
 assign (resid  18 and name HN   ) (resid  18 and name HB*  )  3.08  1.28  0.31
 assign (resid  21 and name HN   ) (resid  21 and name HB1  )  3.89  2.09  0.39
 assign (resid  24 and name HN   ) (resid  24 and name HB2  )  3.51  1.71  0.35
 assign (resid  27 and name HN   ) (resid  27 and name HB1  )  3.96  2.16  0.40
 assign (resid  29 and name HN   ) (resid  29 and name HB2  )  3.79  1.99  0.38
 assign (resid  31 and name HN   ) (resid  31 and name HB1  )  3.44  1.64  0.34
 assign (resid  33 and name HN   ) (resid  33 and name HB*  )  3.12  1.32  0.31
 assign (resid  34 and name HN   ) (resid  34 and name HB2  )  3.60  1.80  0.36
 assign (resid  36 and name HN   ) (resid  36 and name HB2  )  3.97  2.17  0.40
 assign (resid  42 and name HN   ) (resid  42 and name HB2  )  3.82  2.02  0.38
 assign (resid  49 and name HN   ) (resid  49 and name HB2  )  4.20  2.40  0.42
 assign (resid  55 and name HN   ) (resid  55 and name HB2  )  4.15  2.35  0.42
 assign (resid  60 and name HN   ) (resid  60 and name HB2  )  4.20  2.40  0.42
 assign (resid  64 and name HN   ) (resid  64 and name HB2  )  4.15  2.35  0.42
 assign (resid  67 and name HN   ) (resid  67 and name HB2  )  3.37  1.57  0.34
 assign (resid  68 and name HN   ) (resid  68 and name HB1  )  4.09  2.29  0.41
 assign (resid  69 and name HN   ) (resid  69 and name HB1  )  4.18  2.38  0.42
 assign (resid  70 and name HN   ) (resid  70 and name HB2  )  3.80  2.00  0.38
 assign (resid  71 and name HN   ) (resid  71 and name HB2  )  3.62  1.82  0.36
 assign (resid  72 and name HN   ) (resid  72 and name HB2  )  3.48  1.68  0.35
 assign (resid  75 and name HN   ) (resid  75 and name HB2  )  3.70  1.90  0.37
 assign (resid  77 and name HN   ) (resid  77 and name HB2  )  4.14  2.34  0.41
 assign (resid  78 and name HN   ) (resid  78 and name HB2  )  4.13  2.33  0.41
 assign (resid  84 and name HN   ) (resid  84 and name HB2  )  3.77  1.97  0.38
 assign (resid  91 and name HN   ) (resid  91 and name HB2  )  3.89  2.09  0.39
 assign (resid  92 and name HN   ) (resid  92 and name HB2  )  3.73  1.93  0.37
 assign (resid  95 and name HN   ) (resid  95 and name HB2  )  3.98  2.18  0.40
 assign (resid  97 and name HN   ) (resid  97 and name HB*  )  3.60  1.80  0.36
 assign (resid 103 and name HN   ) (resid 103 and name HB1  )  3.65  1.85  0.37
 assign (resid 103 and name HB1  ) (resid 104 and name HN   )  3.80  2.00  0.38
 assign (resid 107 and name HN   ) (resid 107 and name HB2  )  3.67  1.87  0.37
 assign (resid 109 and name HN   ) (resid 109 and name HG   )  3.13  1.33  0.31
 assign (resid 110 and name HN   ) (resid 110 and name HB2  )  3.82  2.02  0.38
 assign (resid   3 and name HN   ) (resid   3 and name HB1  )  3.80  2.00  0.38
 assign (resid  11 and name HN   ) (resid  11 and name HB1  )  3.87  2.07  0.39
 assign (resid  16 and name HN   ) (resid  16 and name HB1  )  4.17  2.37  0.42
 assign (resid  20 and name HN   ) (resid  20 and name HG2  )  4.68  2.88  0.47
 assign (resid  21 and name HN   ) (resid  21 and name HB2  )  3.85  2.05  0.38
 assign (resid  24 and name HN   ) (resid  24 and name HB1  )  3.62  1.82  0.36
 assign (resid  25 and name HB*  ) (resid  26 and name HN   )  4.01  2.21  0.40
 assign (resid  27 and name HN   ) (resid  27 and name HB2  )  3.52  1.72  0.35
 assign (resid  29 and name HN   ) (resid  29 and name HB1  )  3.79  1.99  0.38
 assign (resid  31 and name HN   ) (resid  31 and name HB2  )  3.27  1.47  0.33
 assign (resid  32 and name HN   ) (resid  32 and name HB2  )  3.25  1.45  0.33
 assign (resid  34 and name HN   ) (resid  34 and name HB1  )  3.60  1.80  0.36
 assign (resid  36 and name HN   ) (resid  36 and name HB1  )  3.97  2.17  0.40
 assign (resid  38 and name HN   ) (resid  38 and name HB1  )  3.45  1.65  0.34
 assign (resid  39 and name HN   ) (resid  39 and name HB1  )  3.60  1.80  0.36
 assign (resid  40 and name HN   ) (resid  40 and name HB*  )  2.94  1.14  0.29
 assign (resid  42 and name HN   ) (resid  42 and name HB1  )  3.82  2.02  0.38
 assign (resid  46 and name HB1  ) (resid  47 and name HN   )  4.34  2.54  0.43
 assign (resid  55 and name HN   ) (resid  55 and name HB1  )  4.15  2.35  0.42
 assign (resid  57 and name HB   ) (resid  58 and name HN   )  3.82  2.02  0.38
 assign (resid  60 and name HN   ) (resid  60 and name HB1  )  4.20  2.40  0.42
 assign (resid  64 and name HN   ) (resid  64 and name HB1  )  4.15  2.35  0.42
 assign (resid  67 and name HN   ) (resid  67 and name HB1  )  3.37  1.57  0.34
 assign (resid  69 and name HN   ) (resid  69 and name HB2  )  3.59  1.79  0.36
 assign (resid  70 and name HN   ) (resid  70 and name HB1  )  3.80  2.00  0.38
 assign (resid  71 and name HN   ) (resid  71 and name HB1  )  3.62  1.82  0.36
 assign (resid  72 and name HN   ) (resid  72 and name HB1  )  3.48  1.68  0.35
 assign (resid  75 and name HN   ) (resid  75 and name HB1  )  3.70  1.90  0.37
 assign (resid  77 and name HN   ) (resid  77 and name HB1  )  4.14  2.34  0.41
 assign (resid  78 and name HN   ) (resid  78 and name HB1  )  4.13  2.33  0.41
 assign (resid  80 and name HN   ) (resid 103 and name HB1  )  5.11  3.31  0.51
 assign (resid  84 and name HN   ) (resid  84 and name HB1  )  3.77  1.97  0.38
 assign (resid  91 and name HN   ) (resid  91 and name HB1  )  3.89  2.09  0.39
 assign (resid  92 and name HN   ) (resid  92 and name HB1  )  3.73  1.93  0.37
 assign (resid 103 and name HN   ) (resid 103 and name HB2  )  3.84  2.04  0.38
 assign (resid 107 and name HN   ) (resid 107 and name HB1  )  3.67  1.87  0.37
 assign (resid 109 and name HN   ) (resid 109 and name HB1  )  3.95  2.15  0.40
 assign (resid 110 and name HN   ) (resid 110 and name HB1  )  3.82  2.02  0.38
 assign (resid   5 and name HN   ) (resid   6 and name HN   )  4.58  2.78  0.46
 assign (resid  15 and name HN   ) (resid  16 and name HN   )  4.26  2.46  0.43
 assign (resid  23 and name HN   ) (resid  24 and name HN   )  4.64  2.84  0.46
 assign (resid  25 and name HN   ) (resid  26 and name HN   )  3.89  2.09  0.39
 assign (resid  26 and name HN   ) (resid  27 and name HN   )  4.67  2.87  0.47
 assign (resid  27 and name HN   ) (resid  28 and name HN   )  4.20  2.40  0.42
 assign (resid  28 and name HN   ) (resid  29 and name HN   )  4.84  3.04  0.48
 assign (resid  29 and name HN   ) (resid  30 and name HN   )  4.65  2.85  0.47
 assign (resid  30 and name HN   ) (resid  31 and name HN   )  4.63  2.83  0.46
 assign (resid  31 and name HN   ) (resid  32 and name HN   )  4.53  2.73  0.45
 assign (resid  32 and name HN   ) (resid  33 and name HN   )  4.77  2.97  0.48
 assign (resid  33 and name HN   ) (resid  34 and name HN   )  3.80  2.00  0.38
 assign (resid  35 and name HN   ) (resid  36 and name HN   )  3.34  1.54  0.33
 assign (resid  39 and name HN   ) (resid  40 and name HN   )  3.14  1.34  0.31
 assign (resid  40 and name HN   ) (resid  41 and name HN   )  4.62  2.82  0.46
 assign (resid  42 and name HN   ) (resid  43 and name HN   )  3.46  1.66  0.35
 assign (resid  43 and name HN   ) (resid  44 and name HN   )  4.40  2.60  0.44
 assign (resid  49 and name HN   ) (resid  50 and name HN   )  5.08  3.28  0.51
 assign (resid  50 and name HN   ) (resid  57 and name HN   )  5.36  3.56  0.54
 assign (resid  53 and name HN   ) (resid  54 and name HN   )  4.24  2.44  0.42
 assign (resid  54 and name HN   ) (resid  55 and name HN   )  3.85  2.05  0.38
 assign (resid  55 and name HN   ) (resid  56 and name HN   )  4.84  3.04  0.48
 assign (resid  59 and name HN   ) (resid  60 and name HN   )  4.78  2.98  0.48
 assign (resid  63 and name HN   ) (resid  64 and name HN   )  3.16  1.36  0.32
 assign (resid  64 and name HN   ) (resid  65 and name HN   )  3.47  1.67  0.35
 assign (resid  68 and name HN   ) (resid  69 and name HN   )  4.79  2.99  0.48
 assign (resid  69 and name HN   ) (resid  70 and name HN   )  3.61  1.81  0.36
 assign (resid  73 and name HN   ) (resid  74 and name HN   )  3.68  1.88  0.37
 assign (resid  77 and name HN   ) (resid 108 and name HN   )  4.26  2.46  0.43
 assign (resid  84 and name HN   ) (resid  85 and name HN   )  4.68  2.88  0.47
 assign (resid  85 and name HN   ) (resid  86 and name HN   )  3.72  1.92  0.37
 assign (resid  87 and name HN   ) (resid  88 and name HN   )  4.05  2.25  0.41
 assign (resid  91 and name HN   ) (resid  92 and name HN   )  4.62  2.82  0.46
 assign (resid  92 and name HN   ) (resid  93 and name HN   )  4.66  2.86  0.47
 assign (resid  94 and name HN   ) (resid  95 and name HN   )  4.17  2.37  0.42
 assign (resid  99 and name HN   ) (resid 100 and name HN   )  4.74  2.94  0.47
 assign (resid  60 and name HN   ) (resid 102 and name HN   )  4.71  2.91  0.47
 assign (resid 101 and name HN   ) (resid 102 and name HN   )  5.22  3.42  0.52
 assign (resid 102 and name HN   ) (resid 103 and name HN   )  4.68  2.88  0.47
 assign (resid 103 and name HN   ) (resid 104 and name HN   )  3.48  1.68  0.35
 assign (resid 106 and name HN   ) (resid 107 and name HN   )  4.58  2.78  0.46
 assign (resid 108 and name HN   ) (resid 109 and name HN   )  4.75  2.95  0.47
 assign (resid 109 and name HN   ) (resid 110 and name HN   )  3.97  2.17  0.40
 assign (resid   3 and name HA   ) (resid   4 and name HN   )  3.42  1.62  0.34
 assign (resid   8 and name HA   ) (resid   9 and name HN   )  2.95  1.15  0.30
 assign (resid   9 and name HA   ) (resid  10 and name HN   )  3.43  1.63  0.34
 assign (resid  18 and name HA   ) (resid  19 and name HN   )  3.35  1.55  0.34
 assign (resid  19 and name HA   ) (resid  20 and name HN   )  3.45  1.65  0.34
 assign (resid  21 and name HA   ) (resid  22 and name HN   )  3.52  1.72  0.35
 assign (resid  23 and name HA   ) (resid  24 and name HN   )  3.26  1.46  0.33
 assign (resid  26 and name HA   ) (resid  27 and name HN   )  3.01  1.21  0.30
 assign (resid  27 and name HA   ) (resid  28 and name HN   )  3.36  1.56  0.34
 assign (resid  28 and name HA   ) (resid  29 and name HN   )  2.99  1.19  0.30
 assign (resid  29 and name HA   ) (resid  30 and name HN   )  3.37  1.57  0.34
 assign (resid  30 and name HA   ) (resid  31 and name HN   )  2.78  0.98  0.28
 assign (resid  31 and name HA   ) (resid  32 and name HN   )  2.86  1.06  0.29
 assign (resid  32 and name HA   ) (resid  33 and name HN   )  3.18  1.38  0.32
 assign (resid  36 and name HA   ) (resid  37 and name HN   )  2.88  1.08  0.29
 assign (resid  37 and name HA   ) (resid  38 and name HN   )  2.83  1.03  0.28
 assign (resid  40 and name HA   ) (resid  41 and name HN   )  2.94  1.14  0.29
 assign (resid  41 and name HA   ) (resid  42 and name HN   )  3.55  1.75  0.35
 assign (resid  43 and name HA   ) (resid  44 and name HN   )  3.24  1.44  0.32
 assign (resid  47 and name HA   ) (resid  48 and name HN   )  3.30  1.50  0.33
 assign (resid  55 and name HA   ) (resid  56 and name HN   )  3.35  1.55  0.34
 assign (resid  58 and name HA   ) (resid  59 and name HN   )  3.47  1.67  0.35
 assign (resid  62 and name HA   ) (resid  63 and name HN   )  3.30  1.50  0.33
 assign (resid  66 and name HA   ) (resid  67 and name HN   )  3.17  1.37  0.32
 assign (resid  69 and name HA   ) (resid  70 and name HN   )  3.16  1.36  0.32
 assign (resid  70 and name HA   ) (resid  71 and name HN   )  3.11  1.31  0.31
 assign (resid  71 and name HA   ) (resid  72 and name HN   )  3.05  1.25  0.31
 assign (resid  72 and name HA   ) (resid  73 and name HN   )  3.48  1.68  0.35
 assign (resid  73 and name HA   ) (resid  74 and name HN   )  3.53  1.73  0.35
 assign (resid  74 and name HA   ) (resid  75 and name HN   )  3.11  1.31  0.31
 assign (resid  75 and name HA   ) (resid  76 and name HN   )  3.44  1.64  0.34
 assign (resid  76 and name HA   ) (resid  77 and name HN   )  3.51  1.71  0.35
 assign (resid  77 and name HA   ) (resid  78 and name HN   )  3.30  1.50  0.33
 assign (resid  78 and name HA   ) (resid  79 and name HN   )  3.43  1.63  0.34
 assign (resid  81 and name HA   ) (resid  82 and name HN   )  3.40  1.60  0.34
 assign (resid  82 and name HA   ) (resid  83 and name HN   )  3.27  1.47  0.33
 assign (resid  83 and name HA   ) (resid  84 and name HN   )  3.39  1.59  0.34
 assign (resid  84 and name HA   ) (resid  85 and name HN   )  3.51  1.71  0.35
 assign (resid  86 and name HA   ) (resid  87 and name HN   )  3.55  1.75  0.35
 assign (resid  88 and name HA   ) (resid  89 and name HN   )  3.52  1.72  0.35
 assign (resid  91 and name HA   ) (resid  92 and name HN   )  3.32  1.52  0.33
 assign (resid  92 and name HA   ) (resid  93 and name HN   )  3.55  1.75  0.35
 assign (resid  94 and name HA   ) (resid  95 and name HN   )  3.17  1.37  0.32
 assign (resid  96 and name HA   ) (resid  97 and name HN   )  3.49  1.69  0.35
 assign (resid 101 and name HA   ) (resid 102 and name HN   )  3.27  1.47  0.33
 assign (resid 104 and name HA   ) (resid 105 and name HN   )  3.52  1.72  0.35
 assign (resid 105 and name HA   ) (resid 106 and name HN   )  3.30  1.50  0.33
 assign (resid 106 and name HA   ) (resid 107 and name HN   )  3.30  1.50  0.33
 assign (resid 107 and name HA   ) (resid 108 and name HN   )  3.30  1.50  0.33
 assign (resid 108 and name HA   ) (resid 109 and name HN   )  3.16  1.36  0.32
 assign (resid 109 and name HA   ) (resid 110 and name HN   )  3.09  1.29  0.31
 assign (resid   4 and name HN   ) (resid   4 and name HG   )  4.58  2.78  0.46
 assign (resid  10 and name HN   ) (resid  10 and name HG   )  3.77  1.97  0.38
 assign (resid  19 and name HN   ) (resid  19 and name HG   )  4.07  2.27  0.41
 assign (resid  24 and name HN   ) (resid  24 and name HG   )  4.65  2.85  0.47
 assign (resid  48 and name HN   ) (resid  48 and name HG   )  4.26  2.46  0.43
 assign (resid  78 and name HN   ) (resid  78 and name HG   )  3.72  1.92  0.37
 assign (resid 107 and name HN   ) (resid 107 and name HG   )  3.56  1.76  0.36
 assign (resid  12 and name HN   ) (resid  12 and name HG2  )  4.85  3.05  0.48
 assign (resid  14 and name HN   ) (resid  14 and name HG2* )  3.85  2.05  0.38
 assign (resid  15 and name HN   ) (resid  15 and name HG2* )  4.25  2.45  0.43
 assign (resid  25 and name HN   ) (resid  25 and name HG2  )  4.98  3.18  0.50
 assign (resid  27 and name HN   ) (resid  27 and name HG2  )  3.96  2.16  0.40
 assign (resid  29 and name HN   ) (resid  29 and name HG2  )  3.62  1.82  0.36
 assign (resid  30 and name HN   ) (resid  30 and name HG2* )  3.92  2.12  0.39
 assign (resid  37 and name HN   ) (resid  37 and name HG2* )  3.06  1.26  0.31
 assign (resid  30 and name HD1* ) (resid  41 and name HN   )  3.62  1.82  0.36
 assign (resid  43 and name HN   ) (resid  43 and name HG2  )  3.57  1.77  0.36
 assign (resid  44 and name HN   ) (resid  44 and name HG2  )  4.89  3.09  0.49
 assign (resid  45 and name HN   ) (resid  45 and name HG2* )  4.16  2.36  0.42
 assign (resid  53 and name HN   ) (resid  53 and name HG2  )  4.77  2.97  0.48
 assign (resid  55 and name HN   ) (resid  55 and name HG2  )  4.04  2.24  0.40
 assign (resid  56 and name HN   ) (resid  56 and name HG2  )  4.56  2.76  0.46
 assign (resid  57 and name HN   ) (resid  57 and name HG2* )  4.25  2.45  0.43
 assign (resid  59 and name HN   ) (resid  59 and name HG2* )  3.61  1.81  0.36
 assign (resid  61 and name HN   ) (resid  61 and name HG2* )  3.99  2.19  0.40
 assign (resid  61 and name HN   ) (resid  61 and name HD1* )  4.61  2.81  0.46
 assign (resid  65 and name HN   ) (resid  65 and name HG2* )  3.21  1.41  0.32
 assign (resid  68 and name HN   ) (resid  68 and name HG2  )  4.69  2.89  0.47
 assign (resid  75 and name HN   ) (resid  75 and name HG2  )  4.10  2.30  0.41
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 assign (resid 100 and name HA   ) (resid 100 and name HD1* )  4.00  2.20  0.40
 assign (resid 105 and name HG2* ) (resid 105 and name HD1* )  3.14  1.34  0.31
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 assign (resid 108 and name HG2* ) (resid 109 and name HN   )  3.68  1.88  0.37
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 assign (resid 100 and name HG2* ) (resid 100 and name HG12 )  3.75  1.95  0.38
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 assign (resid  24 and name HD1* ) (resid  26 and name HA   )  4.67  2.87  0.47
 assign (resid  78 and name HD1* ) (resid 102 and name HB*  )  4.49  2.69  0.45
 assign (resid  59 and name HG1* ) (resid  78 and name HD1* )  3.76  1.96  0.38
 assign (resid  78 and name HD1* ) (resid  81 and name HB*  )  4.18  2.38  0.42
 assign (resid  48 and name HD2* ) (resid  76 and name HG1* )  4.64  2.84  0.46
 assign (resid  76 and name HG1* ) (resid 107 and name HG   )  4.82  3.02  0.48
 assign (resid  76 and name HG1* ) (resid 105 and name HG2* )  3.58  1.78  0.36
 assign (resid  21 and name HB1  ) (resid  76 and name HG1* )  4.77  2.97  0.48
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 assign (resid  70 and name HE*  ) (resid  76 and name HG1* )  3.94  2.14  0.39
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 assign (resid  78 and name HA   ) (resid 106 and name HG2* )  4.61  2.81  0.46
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 assign (resid  78 and name HA   ) (resid  79 and name HD1* )  4.75  2.95  0.47
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 assign (resid  57 and name HB   ) (resid 100 and name HD1* )  4.19  2.39  0.42
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 assign (resid  16 and name HZ   ) (resid 100 and name HD1* )  4.28  2.48  0.43
 assign (resid  19 and name HD1* ) (resid  78 and name HD1* )  3.71  1.91  0.37
 assign (resid  19 and name HD1* ) (resid  78 and name HG   )  3.90  2.10  0.39
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 assign (resid  41 and name HD1* ) (resid  44 and name HE   )  4.42  2.62  0.44
 assign (resid  16 and name HB1  ) (resid  19 and name HD2* )  4.75  2.95  0.47
 assign (resid 106 and name HG1* ) (resid 107 and name HN   )  4.12  2.32  0.41
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 assign (resid  76 and name HB   ) (resid 105 and name HG2* )  3.45  1.65  0.34
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 assign (resid  79 and name HG11 ) (resid 104 and name HB1  )  5.39  3.59  0.54
 assign (resid  79 and name HG12 ) (resid 104 and name HB1  )  5.39  3.59  0.54
 assign (resid  24 and name HD1* ) (resid  44 and name HB1  )  5.28  3.48  0.53
 assign (resid  62 and name HA   ) (resid  63 and name HB*  )  4.27  2.47  0.43
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 assign (resid  70 and name HE*  ) (resid 105 and name HB   )  4.88  3.08  0.49
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 assign (resid  30 and name HG11 ) (resid  42 and name HA   )  4.75  2.95  0.47
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 assign (resid 100 and name HA   ) (resid 101 and name HD*  )  4.97  3.17  0.50
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 assign (resid  36 and name HA   ) (resid  37 and name HG2* )  3.96  2.16  0.40
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 assign (resid   9 and name HA   ) (resid  10 and name HG   )  4.51  2.71  0.45
 assign (resid  88 and name HA   ) (resid  91 and name HD*  )  5.46  3.66  0.55
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 assign (resid  37 and name HA   ) (resid  38 and name HB1  )  5.19  3.39  0.52
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 assign (resid  65 and name HG1* ) (resid  66 and name HD1  )  4.16  2.36  0.42
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 assign (resid  97 and name HB*  ) (resid  98 and name HN   )  4.39  2.59  0.44
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 assign (resid  30 and name HD1* ) (resid  40 and name HG1  )  4.13  2.33  0.41
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 assign (resid  29 and name HA   ) (resid  30 and name HB   )  5.39  3.59  0.54
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 assign (resid  80 and name HB1  ) (resid 103 and name HN   )  4.80  3.00  0.48
 assign (resid  68 and name HD*  ) (resid 105 and name HB   )  4.46  2.66  0.45
 assign (resid  68 and name HE1  ) (resid 105 and name HB   )  4.70  2.90  0.47
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 assign (resid  37 and name HG2* ) (resid  38 and name HN   )  4.11  2.31  0.41
 assign (resid  37 and name HN   ) (resid  37 and name HG1* )  3.91  2.11  0.39
 assign (resid  27 and name HB2  ) (resid  41 and name HG2* )  4.08  2.28  0.41
 assign (resid 108 and name HA   ) (resid 109 and name HG   )  4.30  2.50  0.43
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 assign (resid  79 and name HG12 ) (resid 104 and name HB2  )  5.39  3.59  0.54
 assign (resid  79 and name HG11 ) (resid 104 and name HB2  )  5.39  3.59  0.54
 assign (resid 104 and name HB2  ) (resid 106 and name HG1* )  4.98  3.18  0.50
 assign (resid  79 and name HD1* ) (resid 104 and name HB2  )  4.95  3.15  0.49
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 assign (resid  79 and name HB   ) (resid 104 and name HB1  )  4.94  3.14  0.49
 assign (resid  79 and name HB   ) (resid 104 and name HB2  )  4.94  3.14  0.49
 assign (resid  78 and name HD2* ) (resid  79 and name HB   )  4.79  2.99  0.48
 assign (resid  48 and name HG   ) (resid  59 and name HG2* )  4.09  2.29  0.41
 assign (resid  77 and name HG1  ) (resid 108 and name HA   )  4.29  2.49  0.43
 assign (resid  81 and name HB*  ) (resid 102 and name HB*  )  3.79  1.99  0.38
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 assign (resid  98 and name HA   ) (resid  98 and name HD1  )  4.06  2.26  0.41
 assign (resid  57 and name HG2* ) (resid  98 and name HZ2  )  4.19  2.39  0.42
 assign (resid  98 and name HZ2  ) (resid 100 and name HD1* )  4.42  2.62  0.44
 assign (resid  57 and name HG2* ) (resid  98 and name HH2  )  5.19  3.39  0.52
 assign (resid  98 and name HH2  ) (resid 100 and name HG2* )  5.39  3.59  0.54
 assign (resid  98 and name HZ3  ) (resid 100 and name HG2* )  4.20  2.40  0.42
 assign (resid  83 and name HB*  ) (resid  98 and name HE3  )  4.39  2.59  0.44
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 assign (resid  70 and name HA   ) (resid  70 and name HD*  )  3.57  1.77  0.36
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 assign (resid  99 and name HA   ) (resid  99 and name HD*  )  3.67  1.87  0.37
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 assign (resid  99 and name HD*  ) (resid 100 and name HN   )  4.00  2.20  0.40
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 assign (resid  22 and name HA   ) (resid  72 and name HD*  )  3.63  1.83  0.36
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 assign (resid  21 and name HD*  ) (resid  21 and name HZ   )  3.94  2.14  0.39
 assign (resid  21 and name HZ   ) (resid  24 and name HN   )  4.49  2.69  0.45
 assign (resid  16 and name HZ   ) (resid  57 and name HG2* )  4.36  2.56  0.44
 assign (resid  16 and name HZ   ) (resid 100 and name HG2* )  4.61  2.81  0.46
 assign (resid  16 and name HD*  ) (resid  19 and name HD1* )  4.67  2.87  0.47
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 assign (resid  70 and name HE*  ) (resid 107 and name HG   )  4.22  2.42  0.42
 assign (resid  70 and name HE*  ) (resid 107 and name HD1* )  4.11  2.31  0.41
 assign (resid  21 and name HZ   ) (resid  46 and name HE*  )  4.50  2.70  0.45
 assign (resid  24 and name HD1* ) (resid  46 and name HE*  )  3.98  2.18  0.40
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 assign (resid  46 and name HE*  ) (resid 105 and name HB   )  4.74  2.94  0.47
 assign (resid  46 and name HE*  ) (resid  67 and name HD1* )  3.94  2.14  0.39
 assign (resid  24 and name HB2  ) (resid  46 and name HE*  )  4.36  2.56  0.44
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 assign (resid  91 and name HN   ) (resid  91 and name HE*  )  5.31  3.51  0.53
 assign (resid  87 and name HA   ) (resid  91 and name HE*  )  4.42  2.62  0.44
 assign (resid  87 and name HB*  ) (resid  91 and name HE*  )  3.87  2.07  0.39
 assign (resid  90 and name HG2* ) (resid  91 and name HE*  )  4.41  2.61  0.44
 assign (resid  58 and name HB2  ) (resid  99 and name HE*  )  4.39  2.59  0.44
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 assign (resid  45 and name HG2* ) (resid  99 and name HE*  )  4.28  2.48  0.43
 assign (resid  97 and name HB*  ) (resid  98 and name HD1  )  4.72  2.92  0.47
 assign (resid  21 and name HZ   ) (resid  23 and name HA   )  4.53  2.73  0.45
 assign (resid  98 and name HA   ) (resid  99 and name HD*  )  4.00  2.20  0.40
 assign (resid  87 and name HA   ) (resid  91 and name HD*  )  4.63  2.83  0.46
 assign (resid  24 and name HA   ) (resid  46 and name HD*  )  3.70  1.90  0.37
 assign (resid  88 and name HA   ) (resid  88 and name HB   )  2.59  0.79  0.26
 assign (resid  33 and name HA   ) (resid  33 and name HB*  )  2.94  1.14  0.29
 assign (resid   1 and name HA   ) (resid   1 and name HG*  )  3.90  2.10  0.39
 assign (resid  25 and name HA   ) (resid  25 and name HG2  )  3.93  2.13  0.39
 assign (resid  26 and name HA   ) (resid  26 and name HG1  )  4.09  2.29  0.41
 assign (resid  29 and name HA   ) (resid  29 and name HG2  )  3.94  2.14  0.39
 assign (resid  30 and name HA   ) (resid  30 and name HG2* )  3.23  1.43  0.32
 assign (resid  40 and name HA   ) (resid  40 and name HG2  )  3.68  1.88  0.37
 assign (resid  41 and name HA   ) (resid  41 and name HG2* )  3.27  1.47  0.33
 assign (resid  30 and name HG12 ) (resid  42 and name HA   )  4.75  2.95  0.47
 assign (resid  51 and name HA   ) (resid  51 and name HG2  )  4.19  2.39  0.42
 assign (resid  53 and name HA   ) (resid  53 and name HG2  )  4.15  2.35  0.42
 assign (resid  57 and name HA   ) (resid  57 and name HG2* )  3.70  1.90  0.37
 assign (resid  69 and name HA   ) (resid  69 and name HG*  )  3.31  1.51  0.33
 assign (resid  77 and name HA   ) (resid  77 and name HG2  )  4.08  2.28  0.41
 assign (resid  90 and name HA   ) (resid  90 and name HG2* )  3.38  1.58  0.34
 assign (resid  96 and name HA   ) (resid  96 and name HG2* )  3.62  1.82  0.36
 assign (resid 101 and name HA   ) (resid 101 and name HG2  )  4.18  2.38  0.42
 assign (resid 106 and name HA   ) (resid 106 and name HG2* )  4.02  2.22  0.40
 assign (resid 110 and name HA   ) (resid 110 and name HG2  )  3.91  2.11  0.39
 assign (resid   2 and name HA   ) (resid   2 and name HG*  )  3.71  1.91  0.37
 assign (resid  18 and name HA   ) (resid  18 and name HG1  )  3.96  2.16  0.40
 assign (resid  25 and name HA   ) (resid  25 and name HG1  )  3.93  2.13  0.39
 assign (resid  27 and name HA   ) (resid  27 and name HG1  )  4.11  2.31  0.41
 assign (resid  29 and name HA   ) (resid  29 and name HG1  )  3.94  2.14  0.39
 assign (resid  40 and name HA   ) (resid  40 and name HG1  )  3.68  1.88  0.37
 assign (resid  42 and name HA   ) (resid  42 and name HG1  )  4.19  2.39  0.42
 assign (resid  51 and name HA   ) (resid  51 and name HG1  )  4.19  2.39  0.42
 assign (resid  77 and name HA   ) (resid  77 and name HG1  )  4.08  2.28  0.41
 assign (resid 101 and name HA   ) (resid 101 and name HG1  )  4.16  2.36  0.42
 assign (resid   4 and name HA   ) (resid   4 and name HG   )  3.79  1.99  0.38
 assign (resid  48 and name HA   ) (resid  49 and name HD2  )  5.50  3.70  0.55
 assign (resid  67 and name HA   ) (resid  67 and name HG   )  4.25  2.45  0.43
 assign (resid  78 and name HA   ) (resid  78 and name HG   )  4.22  2.42  0.42
 assign (resid   4 and name HA   ) (resid   4 and name HD1* )  3.62  1.82  0.36
 assign (resid   8 and name HA   ) (resid   8 and name HG2* )  3.17  1.37  0.32
 assign (resid  30 and name HA   ) (resid  30 and name HD1* )  3.97  2.17  0.40
 assign (resid  48 and name HA   ) (resid  48 and name HD1* )  4.23  2.43  0.42
 assign (resid  57 and name HA   ) (resid  57 and name HD1* )  4.80  3.00  0.48
 assign (resid  78 and name HA   ) (resid  78 and name HD1* )  4.63  2.83  0.46
 assign (resid  82 and name HA   ) (resid 100 and name HG2* )  4.92  3.12  0.49
 assign (resid  78 and name HD2* ) (resid 105 and name HA   )  3.99  2.19  0.40
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 assign (resid  10 and name HA   ) (resid  10 and name HD2* )  4.42  2.62  0.44
 assign (resid  16 and name HA   ) (resid  16 and name HD*  )  4.04  2.24  0.40
 assign (resid  20 and name HA   ) (resid  20 and name HD2  )  5.03  3.23  0.50
 assign (resid  21 and name HA   ) (resid  21 and name HD*  )  4.41  2.61  0.44
 assign (resid  24 and name HA   ) (resid  24 and name HD2* )  4.69  2.89  0.47
 assign (resid  25 and name HA   ) (resid  25 and name HD2  )  3.64  1.84  0.36
 assign (resid  51 and name HA   ) (resid  51 and name HD*  )  4.11  2.31  0.41
 assign (resid  25 and name HA   ) (resid  25 and name HD1  )  3.64  1.84  0.36
 assign (resid  42 and name HA   ) (resid  42 and name HD1  )  4.13  2.33  0.41
 assign (resid  55 and name HA   ) (resid  55 and name HD*  )  4.54  2.74  0.45
 assign (resid  41 and name HA   ) (resid  41 and name HG12 )  3.97  2.17  0.40
 assign (resid  82 and name HA   ) (resid  83 and name HB*  )  5.19  3.39  0.52
 assign (resid   8 and name HA   ) (resid   8 and name HG11 )  3.90  2.10  0.39
 assign (resid  30 and name HA   ) (resid  30 and name HG11 )  3.88  2.08  0.39
 assign (resid  41 and name HA   ) (resid  41 and name HG11 )  3.97  2.17  0.40
 assign (resid   9 and name HA   ) (resid   9 and name HG1* )  3.51  1.71  0.35
 assign (resid  37 and name HA   ) (resid  37 and name HG1* )  3.20  1.40  0.32
 assign (resid  96 and name HA   ) (resid  96 and name HG1* )  3.62  1.82  0.36
 assign (resid  70 and name HA   ) (resid  70 and name HE*  )  4.57  2.77  0.46
 assign (resid  72 and name HA   ) (resid  72 and name HE*  )  5.50  3.70  0.55
 assign (resid  91 and name HA   ) (resid  91 and name HE*  )  4.88  3.08  0.49
 assign (resid  98 and name HA   ) (resid  98 and name HE3  )  4.98  3.18  0.50
 assign (resid  25 and name HB*  ) (resid  47 and name HA   )  5.50  3.70  0.55
 assign (resid  24 and name HB2  ) (resid  24 and name HD2* )  3.32  1.52  0.33
 assign (resid  42 and name HB1  ) (resid  42 and name HD1  )  3.99  2.19  0.40
 assign (resid 109 and name HA   ) (resid 109 and name HG   )  4.12  2.32  0.41
 assign (resid   3 and name HA   ) (resid   3 and name HG*  )  3.81  2.01  0.38
 assign (resid  18 and name HA   ) (resid  18 and name HG2  )  3.96  2.16  0.40
 assign (resid  31 and name HA   ) (resid  31 and name HG2  )  3.85  2.05  0.38
 assign (resid  31 and name HA   ) (resid  31 and name HG1  )  3.88  2.08  0.39
 assign (resid 110 and name HA   ) (resid 110 and name HG1  )  3.91  2.11  0.39
 assign (resid  41 and name HG2* ) (resid  41 and name HG12 )  3.35  1.55  0.34
 assign (resid  82 and name HG2* ) (resid  82 and name HG12 )  3.23  1.43  0.32
 assign (resid   4 and name HB1  ) (resid   4 and name HD2* )  3.35  1.55  0.34
 assign (resid  51 and name HB1  ) (resid  51 and name HD*  )  3.76  1.96  0.38
 assign (resid  12 and name HG2  ) (resid  12 and name HE*  )  3.40  1.60  0.34
 assign (resid  20 and name HG2  ) (resid  20 and name HE*  )  3.97  2.17  0.40
 assign (resid  51 and name HG2  ) (resid  51 and name HE*  )  3.47  1.67  0.35
 assign (resid  51 and name HG1  ) (resid  51 and name HE*  )  3.47  1.67  0.35
 assign (resid  12 and name HG1  ) (resid  12 and name HE*  )  3.40  1.60  0.34
 assign (resid 101 and name HG1  ) (resid 101 and name HE*  )  3.41  1.61  0.34
 assign (resid  42 and name HG2  ) (resid  42 and name HE*  )  3.72  1.92  0.37
 assign (resid  49 and name HG2  ) (resid  49 and name HE1  )  4.09  2.29  0.41
 assign (resid  42 and name HG1  ) (resid  42 and name HE*  )  3.72  1.92  0.37
 assign (resid  51 and name HD*  ) (resid  51 and name HE*  )  2.81  1.01  0.28
 assign (resid  78 and name HD1* ) (resid 105 and name HD1* )  4.48  2.68  0.45
 assign (resid 109 and name HB2  ) (resid 109 and name HD1* )  3.20  1.40  0.32
 assign (resid 109 and name HB2  ) (resid 109 and name HD2* )  3.20  1.40  0.32
 assign (resid   4 and name HB2  ) (resid   4 and name HD1* )  3.30  1.50  0.33
 assign (resid  24 and name HB2  ) (resid  24 and name HD1* )  3.91  2.11  0.39
 assign (resid  48 and name HB2  ) (resid  48 and name HD1* )  3.95  2.15  0.40
 assign (resid  67 and name HB2  ) (resid  67 and name HD1* )  3.53  1.73  0.35
 assign (resid  48 and name HB2  ) (resid  48 and name HD2* )  3.65  1.85  0.37
 assign (resid   4 and name HB1  ) (resid   4 and name HD1* )  3.30  1.50  0.33
 assign (resid  24 and name HB1  ) (resid  24 and name HD1* )  3.72  1.92  0.37
 assign (resid 107 and name HB1  ) (resid 107 and name HD1* )  3.37  1.57  0.34
 assign (resid 109 and name HB1  ) (resid 109 and name HD1* )  3.20  1.40  0.32
 assign (resid  48 and name HB1  ) (resid  48 and name HD2* )  3.65  1.85  0.37
 assign (resid  78 and name HB1  ) (resid  78 and name HD2* )  4.01  2.21  0.40
 assign (resid 107 and name HB1  ) (resid 107 and name HD2* )  3.49  1.69  0.35
 assign (resid   3 and name HB1  ) (resid   3 and name HD*  )  3.43  1.63  0.34
 assign (resid  26 and name HB1  ) (resid  26 and name HD1  )  3.93  2.13  0.39
 assign (resid  75 and name HB1  ) (resid  75 and name HD1  )  3.86  2.06  0.39
 assign (resid  26 and name HB2  ) (resid  26 and name HD1  )  3.93  2.13  0.39
 assign (resid  42 and name HB2  ) (resid  42 and name HD1  )  3.99  2.19  0.40
 assign (resid  51 and name HB2  ) (resid  51 and name HD*  )  3.76  1.96  0.38
 assign (resid  25 and name HB*  ) (resid  25 and name HD2  )  4.17  2.37  0.42
 assign (resid  26 and name HB1  ) (resid  26 and name HD2  )  3.93  2.13  0.39
 assign (resid  75 and name HB1  ) (resid  75 and name HD2  )  3.86  2.06  0.39
 assign (resid  26 and name HB2  ) (resid  26 and name HD2  )  3.93  2.13  0.39
 assign (resid  29 and name HB2  ) (resid  29 and name HD*  )  3.80  2.00  0.38
 assign (resid  42 and name HB2  ) (resid  42 and name HD2  )  3.99  2.19  0.40
 assign (resid  75 and name HB2  ) (resid  75 and name HD2  )  3.86  2.06  0.39
 assign (resid  29 and name HB1  ) (resid  29 and name HD*  )  3.80  2.00  0.38
 assign (resid  30 and name HB   ) (resid  30 and name HD1* )  3.25  1.45  0.33
 assign (resid  41 and name HB   ) (resid  41 and name HD1* )  3.42  1.62  0.34
 assign (resid  61 and name HB   ) (resid  61 and name HD1* )  3.88  2.08  0.39
 assign (resid  79 and name HB   ) (resid  79 and name HD1* )  3.91  2.11  0.39
 assign (resid  82 and name HG2* ) (resid  82 and name HD1* )  2.40  0.60  0.24
 assign (resid   8 and name HA   ) (resid   8 and name HD1* )  4.29  2.49  0.43
 assign (resid  41 and name HA   ) (resid  41 and name HD1* )  3.89  2.09  0.39
 assign (resid 109 and name HA   ) (resid 109 and name HD1* )  4.09  2.29  0.41
 assign (resid  30 and name HG2* ) (resid  30 and name HD1* )  2.40  0.60  0.24
 assign (resid  41 and name HG2* ) (resid  41 and name HD1* )  2.40  0.60  0.24
 assign (resid  37 and name HA   ) (resid  37 and name HG2* )  3.19  1.39  0.32
 assign (resid  45 and name HA   ) (resid  45 and name HG2* )  3.82  2.02  0.38
 assign (resid  59 and name HA   ) (resid  59 and name HG1* )  3.79  1.99  0.38
 assign (resid  59 and name HA   ) (resid  59 and name HG2* )  4.13  2.33  0.41
 assign (resid  65 and name HA   ) (resid  65 and name HG2* )  3.52  1.72  0.35
 assign (resid  20 and name HA   ) (resid  76 and name HG2* )  4.27  2.47  0.43
 assign (resid  79 and name HA   ) (resid  79 and name HG2* )  3.56  1.76  0.36
 assign (resid  82 and name HA   ) (resid  82 and name HG2* )  3.57  1.77  0.36
 assign (resid  88 and name HA   ) (resid  88 and name HG2* )  3.28  1.48  0.33
 assign (resid 105 and name HA   ) (resid 105 and name HG2* )  3.63  1.83  0.36
 assign (resid 108 and name HA   ) (resid 108 and name HG2* )  3.28  1.48  0.33
 assign (resid  61 and name HG2* ) (resid  61 and name HG12 )  3.76  1.96  0.38
 assign (resid 100 and name HG2* ) (resid 101 and name HG1  )  4.80  3.00  0.48
 assign (resid 100 and name HG2* ) (resid 102 and name HB*  )  4.37  2.57  0.44
 assign (resid  10 and name HA   ) (resid  10 and name HD1* )  4.42  2.62  0.44
 assign (resid  24 and name HA   ) (resid  24 and name HD1* )  3.86  2.06  0.39
 assign (resid  67 and name HA   ) (resid  67 and name HD1* )  3.45  1.65  0.34
 assign (resid  79 and name HA   ) (resid  79 and name HD1* )  3.42  1.62  0.34
 assign (resid  82 and name HA   ) (resid  82 and name HD1* )  4.29  2.49  0.43
 assign (resid 105 and name HA   ) (resid 105 and name HD1* )  4.55  2.75  0.46
 assign (resid 107 and name HA   ) (resid 107 and name HD1* )  4.20  2.40  0.42
 assign (resid  19 and name HA   ) (resid  19 and name HD2* )  3.81  2.01  0.38
 assign (resid  48 and name HA   ) (resid  48 and name HD2* )  3.69  1.89  0.37
 assign (resid  67 and name HA   ) (resid  67 and name HD2* )  4.28  2.48  0.43
 assign (resid  78 and name HA   ) (resid  78 and name HD2* )  3.52  1.72  0.35
 assign (resid 107 and name HA   ) (resid 107 and name HD2* )  3.43  1.63  0.34
 assign (resid 109 and name HA   ) (resid 109 and name HD2* )  3.15  1.35  0.32
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 assign (resid  81 and name HA   ) (resid 100 and name HG2* )  4.58  2.78  0.46
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 assign (resid  81 and name HB*  ) (resid 102 and name HA   )  4.69  2.89  0.47
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 assign (resid  44 and name HA   ) (resid  45 and name HG2* )  5.50  3.70  0.55
 assign (resid  27 and name HB2  ) (resid  44 and name HA   )  5.50  3.70  0.55
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 assign (resid  70 and name HA   ) (resid 107 and name HD2* )  5.16  3.36  0.52
 assign (resid  24 and name HD1* ) (resid  46 and name HD*  )  4.31  2.51  0.43
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 assign (resid  76 and name HG1* ) (resid 107 and name HA   )  3.97  2.17  0.40
 assign (resid  76 and name HA   ) (resid  76 and name HG1* )  3.70  1.90  0.37
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 assign (resid 105 and name HA   ) (resid 106 and name HG2* )  4.87  3.07  0.49
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 assign (resid  27 and name HB2  ) (resid  41 and name HD1* )  4.02  2.22  0.40
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 assign (resid  27 and name HA   ) (resid  41 and name HD1* )  5.12  3.32  0.51
 assign (resid  16 and name HB2  ) (resid  19 and name HD2* )  4.75  2.95  0.47
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 assign (resid  16 and name HA   ) (resid  19 and name HD2* )  4.73  2.93  0.47
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 assign (resid  79 and name HG2* ) (resid  80 and name HB2  )  4.39  2.59  0.44
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 assign (resid  44 and name HD1  ) (resid  67 and name HD1* )  4.21  2.41  0.42
 assign (resid  81 and name HA   ) (resid 102 and name HB*  )  3.90  2.10  0.39
 assign (resid  74 and name HB*  ) (resid 107 and name HD1* )  4.37  2.57  0.44
 assign (resid  41 and name HG2* ) (resid  63 and name HB*  )  3.28  1.48  0.33
 assign (resid  41 and name HB   ) (resid  63 and name HB*  )  3.70  1.90  0.37
 assign (resid  87 and name HB*  ) (resid  99 and name HD*  )  4.41  2.61  0.44
 assign (resid  87 and name HB*  ) (resid  99 and name HE*  )  5.42  3.62  0.54
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 assign (resid   4 and name HD1* ) (resid   5 and name HB*  )  4.23  2.43  0.42
 assign (resid  30 and name HA   ) (resid  30 and name HG12 )  3.88  2.08  0.39
 assign (resid  83 and name HB*  ) (resid  98 and name HZ3  )  4.78  2.98  0.48
 assign (resid  20 and name HA   ) (resid  20 and name HD1  )  5.03  3.23  0.50
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 assign (resid  77 and name HB1  ) (resid 106 and name HG2* )  4.18  2.38  0.42
 assign (resid 101 and name HA   ) (resid 101 and name HD*  )  4.33  2.53  0.43
 assign (resid  26 and name HB2  ) (resid  45 and name HB   )  5.01  3.21  0.50
 assign (resid  26 and name HB1  ) (resid  45 and name HB   )  5.01  3.21  0.50
 assign (resid  61 and name HG2* ) (resid 105 and name HA   )  4.74  2.94  0.47
 assign (resid  27 and name HA   ) (resid  44 and name HA   )  3.63  1.83  0.36
 assign (resid  43 and name HG2  ) (resid  62 and name HA   )  5.50  3.70  0.55
 assign (resid  43 and name HG1  ) (resid  62 and name HA   )  5.50  3.70  0.55
 assign (resid  26 and name HG2  ) (resid  45 and name HB   )  4.26  2.46  0.43
 assign (resid  25 and name HB*  ) (resid  45 and name HB   )  4.91  3.11  0.49
 assign (resid  75 and name HB1  ) (resid 108 and name HB   )  4.26  2.46  0.43
 assign (resid  68 and name HA   ) (resid  68 and name HD*  )  4.21  2.41  0.42
 assign (resid  44 and name HD2  ) (resid  67 and name HA   )  4.76  2.96  0.48
 assign (resid  44 and name HD1  ) (resid  67 and name HA   )  4.76  2.96  0.48
 assign (resid  22 and name HB1  ) (resid  47 and name HB2  )  5.50  3.70  0.55
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 assign (resid  21 and name HA   ) (resid  48 and name HA   )  4.61  2.81  0.46
 assign (resid  21 and name HA   ) (resid  48 and name HD1* )  4.74  2.94  0.47
 assign (resid  21 and name HA   ) (resid  76 and name HG2* )  4.95  3.15  0.49
 assign (resid  21 and name HA   ) (resid  76 and name HG1* )  5.04  3.24  0.50
 assign (resid  31 and name HB1  ) (resid  32 and name HA   )  5.39  3.59  0.54
 assign (resid  32 and name HA   ) (resid  33 and name HB*  )  5.50  3.70  0.55
 assign (resid  31 and name HG2  ) (resid  32 and name HA   )  5.50  3.70  0.55
 assign (resid  30 and name HG2* ) (resid  32 and name HA   )  4.15  2.35  0.42
 assign (resid  43 and name HA   ) (resid  63 and name HA   )  4.54  2.74  0.45
 assign (resid  31 and name HA   ) (resid  37 and name HA   )  3.25  1.45  0.33
 assign (resid  85 and name HA   ) (resid  86 and name HG1* )  5.50  3.70  0.55
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 assign (resid  24 and name HD2* ) (resid  26 and name HA   )  4.09  2.29  0.41
 assign (resid  28 and name HA   ) (resid  28 and name HG1* )  3.28  1.48  0.33
 assign (resid  86 and name HA   ) (resid  86 and name HG1* )  3.71  1.91  0.37
 assign (resid  86 and name HA   ) (resid  86 and name HG2* )  3.71  1.91  0.37
 assign (resid  38 and name HB1  ) (resid  40 and name HB*  )  4.39  2.59  0.44
 assign (resid  38 and name HB2  ) (resid  40 and name HB*  )  4.81  3.01  0.48
 assign (resid  30 and name HB   ) (resid  38 and name HB2  )  3.93  2.13  0.39
 assign (resid  30 and name HB   ) (resid  38 and name HB1  )  3.65  1.85  0.37
 assign (resid  37 and name HG1* ) (resid  38 and name HB1  )  4.70  2.90  0.47
 assign (resid  30 and name HG2* ) (resid  38 and name HB2  )  3.74  1.94  0.37
 assign (resid  30 and name HD1* ) (resid  42 and name HE*  )  4.83  3.03  0.48
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 assign (resid  82 and name HD1* ) (resid 101 and name HD*  )  3.82  2.02  0.38
 assign (resid  83 and name HA   ) (resid 100 and name HD1* )  4.81  3.01  0.48
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 assign (resid  59 and name HG1* ) (resid  61 and name HG2* )  3.51  1.71  0.35
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 assign (resid  77 and name HB1  ) (resid 108 and name HG2* )  3.82  2.02  0.38
 assign (resid  25 and name HD2  ) (resid  45 and name HG2* )  4.85  3.05  0.48
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 assign (resid  45 and name HG2* ) (resid  58 and name HG1  )  4.51  2.71  0.45
 assign (resid   2 and name HB*  ) (resid   4 and name HD2* )  4.23  2.43  0.42
 assign (resid 101 and name HG2  ) (resid 101 and name HE*  )  3.54  1.74  0.35
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 assign (resid  62 and name HG1  ) (resid  65 and name HG2* )  4.71  2.91  0.47
 assign (resid  30 and name HG12 ) (resid  40 and name HB*  )  4.25  2.45  0.43
 assign (resid  61 and name HD1* ) (resid  65 and name HB   )  3.84  2.04  0.38
 assign (resid  29 and name HB2  ) (resid  37 and name HG1* )  3.95  2.15  0.40
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 assign (resid  24 and name HD1* ) (resid  44 and name HB2  )  5.28  3.48  0.53
 assign (resid  31 and name HG1  ) (resid  37 and name HG2* )  4.10  2.30  0.41
 assign (resid  31 and name HG2  ) (resid  37 and name HA   )  4.18  2.38  0.42
 assign (resid  31 and name HG1  ) (resid  37 and name HA   )  4.22  2.42  0.42
 assign (resid  82 and name HD1* ) (resid 101 and name HB2  )  4.33  2.53  0.43
 assign (resid  30 and name HD1* ) (resid  40 and name HG2  )  4.13  2.33  0.41
 assign (resid  72 and name HD*  ) (resid  73 and name HB2  )  5.35  3.55  0.54
 assign (resid  72 and name HD*  ) (resid  73 and name HB1  )  5.35  3.55  0.54
 assign (resid  80 and name HB1  ) (resid 103 and name HB2  )  4.93  3.13  0.49
 assign (resid  24 and name HD2* ) (resid  27 and name HG1  )  4.13  2.33  0.41
 assign (resid  30 and name HB   ) (resid  38 and name HA   )  5.50  3.70  0.55
 assign (resid  87 and name HB*  ) (resid  99 and name HB1  )  5.35  3.55  0.54
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 assign (resid  21 and name HB1  ) (resid  48 and name HD2* )  5.17  3.37  0.52
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 assign (resid  22 and name HB2  ) (resid  47 and name HB2  )  5.50  3.70  0.55
 assign (resid  30 and name HA   ) (resid  42 and name HE*  )  5.50  3.70  0.55
 assign (resid  23 and name HA   ) (resid  47 and name HB2  )  4.85  3.05  0.48
 assign (resid  47 and name HB2  ) (resid  48 and name HD2* )  4.85  3.05  0.48
 assign (resid  30 and name HG2* ) (resid  42 and name HE*  )  4.31  2.51  0.43
 assign (resid  12 and name HB*  ) (resid  12 and name HE*  )  3.69  1.89  0.37
 assign (resid  29 and name HA   ) (resid  29 and name HD*  )  3.75  1.95  0.38
 assign (resid   3 and name HA   ) (resid   3 and name HD*  )  4.06  2.26  0.41
 assign (resid  29 and name HD*  ) (resid  41 and name HA   )  4.45  2.65  0.44
 assign (resid  31 and name HG2  ) (resid  35 and name HA1  )  5.50  3.70  0.55
 assign (resid   7 and name HA1  ) (resid   8 and name HG2* )  4.81  3.01  0.48
 assign (resid  68 and name HB1  ) (resid  68 and name HD*  )  3.85  2.05  0.38
 assign (resid  20 and name HA   ) (resid  73 and name HA   )  4.89  3.09  0.49
 assign (resid  32 and name HA   ) (resid  33 and name HA   )  4.76  2.96  0.48
 assign (resid  26 and name HA   ) (resid  27 and name HG1  )  3.52  1.72  0.35
 assign (resid  43 and name HA   ) (resid  62 and name HA   )  3.76  1.96  0.38
 assign (resid  37 and name HG1* ) (resid  38 and name HB2  )  4.48  2.68  0.45
 assign (resid  22 and name HB2  ) (resid  47 and name HB1  )  5.10  3.30  0.51
 assign (resid  65 and name HG1* ) (resid  66 and name HA   )  4.55  2.75  0.46
 assign (resid  89 and name HB*  ) (resid  90 and name HA   )  5.00  3.20  0.50
 assign (resid  24 and name HG   ) (resid  26 and name HA   )  4.27  2.47  0.43
 assign (resid  83 and name HA   ) (resid 100 and name HA   )  3.94  2.14  0.39
 assign (resid  31 and name HA   ) (resid  37 and name HG1* )  3.75  1.95  0.38
 assign (resid  41 and name HG2* ) (resid  63 and name HA   )  4.34  2.54  0.43
 assign (resid  41 and name HB   ) (resid  63 and name HA   )  4.72  2.92  0.47
 assign (resid  67 and name HD2* ) (resid  69 and name HA   )  4.59  2.79  0.46
 assign (resid  20 and name HB1  ) (resid  73 and name HA   )  4.08  2.28  0.41
 assign (resid  26 and name HD2  ) (resid  28 and name HG1* )  4.59  2.79  0.46
 assign (resid  26 and name HD1  ) (resid  28 and name HG1* )  4.59  2.79  0.46
 assign (resid  29 and name HD*  ) (resid  37 and name HG1* )  3.45  1.65  0.34
 assign (resid  29 and name HD*  ) (resid  41 and name HG2* )  4.30  2.50  0.43
 assign (resid  61 and name HG2* ) (resid 104 and name HB2  )  5.50  3.70  0.55
 assign (resid  79 and name HG2* ) (resid 104 and name HB2  )  5.50  3.70  0.55
 assign (resid  30 and name HB   ) (resid  40 and name HB*  )  3.84  2.04  0.38
 assign (resid  77 and name HG1  ) (resid 106 and name HG2* )  4.13  2.33  0.41
 assign (resid  77 and name HG2  ) (resid 106 and name HG2* )  4.13  2.33  0.41
 assign (resid  77 and name HB2  ) (resid 106 and name HG2* )  4.18  2.38  0.42
 assign (resid 104 and name HA   ) (resid 105 and name HD1* )  4.93  3.13  0.49
 assign (resid  78 and name HD2* ) (resid 104 and name HA   )  4.50  2.70  0.45
 assign (resid  83 and name HB*  ) (resid 100 and name HA   )  4.30  2.50  0.43
 assign (resid  78 and name HA   ) (resid 106 and name HG1* )  4.95  3.15  0.49
 assign (resid  20 and name HA   ) (resid  20 and name HE*  )  4.85  3.05  0.48
 assign (resid  20 and name HE*  ) (resid  75 and name HA   )  5.50  3.70  0.55
 assign (resid  61 and name HA   ) (resid  62 and name HG2  )  5.03  3.23  0.50
 assign (resid  61 and name HA   ) (resid  62 and name HG1  )  5.03  3.23  0.50
 assign (resid  27 and name HB1  ) (resid  41 and name HG2* )  4.01  2.21  0.40
 assign (resid  67 and name HD2* ) (resid  68 and name HB2  )  5.50  3.70  0.55
 assign (resid  26 and name HG2  ) (resid  28 and name HG1* )  3.58  1.78  0.36
 assign (resid  61 and name HG2* ) (resid 104 and name HB1  )  5.50  3.70  0.55
 assign (resid  79 and name HG2* ) (resid 104 and name HB1  )  5.50  3.70  0.55
 assign (resid  21 and name HZ   ) (resid  23 and name HB*  )  5.00  3.20  0.50
 assign (resid  59 and name HG1* ) (resid 100 and name HB   )  4.73  2.93  0.47
 assign (resid  59 and name HG2* ) (resid 100 and name HB   )  3.83  2.03  0.38
 assign (resid   3 and name HN   ) (resid   3 and name HB*  )  3.33  1.53  0.33
 assign (resid   3 and name HB*  ) (resid   3 and name HG*  )  2.42  0.62  0.24
 assign (resid   3 and name HB*  ) (resid   4 and name HN   )  4.19  2.39  0.42
 assign (resid   3 and name HB*  ) (resid   4 and name HD2* )  4.63  2.83  0.46
 assign (resid   4 and name HN   ) (resid   4 and name HB*  )  3.36  1.56  0.34
 assign (resid   4 and name HB*  ) (resid   4 and name HD1* )  2.83  1.03  0.28
 assign (resid   4 and name HB*  ) (resid   5 and name HN   )  3.71  1.91  0.37
 assign (resid   6 and name HB*  ) (resid   6 and name HD2* )  3.06  1.26  0.31
 assign (resid   6 and name HB*  ) (resid   7 and name HN   )  3.88  2.08  0.39
 assign (resid   7 and name HA*  ) (resid   8 and name HG2* )  4.21  2.41  0.42
 assign (resid   8 and name HN   ) (resid   8 and name HG1* )  3.51  1.71  0.35
 assign (resid   8 and name HG1* ) (resid   9 and name HN   )  4.42  2.62  0.44
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 assign (resid  80 and name HB*  ) (resid 103 and name HN   )  4.21  2.41  0.42
 assign (resid  80 and name HB*  ) (resid 103 and name HB2  )  4.29  2.49  0.43
 assign (resid  82 and name HG2* ) (resid  82 and name HG1* )  2.79  0.99  0.28
 assign (resid  82 and name HG1* ) (resid  83 and name HN   )  4.65  2.85  0.47
 assign (resid  82 and name HG1* ) (resid 101 and name HB*  )  4.22  2.42  0.42
 assign (resid  82 and name HD1* ) (resid  84 and name HB*  )  4.52  2.72  0.45
 assign (resid  82 and name HD1* ) (resid 101 and name HB*  )  3.77  1.97  0.38
 assign (resid  83 and name HA   ) (resid  84 and name HB*  )  5.34  3.54  0.53
 assign (resid  86 and name HN   ) (resid  86 and name HG*  )  3.59  1.79  0.36
 assign (resid  87 and name HB*  ) (resid  91 and name HB*  )  5.34  3.54  0.53
 assign (resid  87 and name HB*  ) (resid  99 and name HB*  )  4.52  2.72  0.45
 assign (resid  91 and name HN   ) (resid  91 and name HB*  )  3.34  1.54  0.33
 assign (resid  91 and name HB*  ) (resid  92 and name HN   )  3.85  2.05  0.38
 assign (resid  92 and name HN   ) (resid  92 and name HB*  )  3.03  1.23  0.30
 assign (resid  92 and name HG*  ) (resid  92 and name HE*  )  3.30  1.50  0.33
 assign (resid  93 and name HA*  ) (resid  94 and name HB*  )  5.15  3.35  0.52
 assign (resid  95 and name HN   ) (resid  95 and name HB*  )  3.42  1.62  0.34
 assign (resid  95 and name HB*  ) (resid  96 and name HN   )  4.22  2.42  0.42
 assign (resid  95 and name HB*  ) (resid  96 and name HA   )  5.11  3.31  0.51
 assign (resid  96 and name HA   ) (resid  96 and name HG*  )  3.14  1.34  0.31
 assign (resid  96 and name HG*  ) (resid  97 and name HN   )  3.67  1.87  0.37
 assign (resid  99 and name HB*  ) (resid 100 and name HN   )  4.05  2.25  0.41
 assign (resid 100 and name HG2* ) (resid 100 and name HG1* )  3.21  1.41  0.32
 assign (resid 101 and name HN   ) (resid 101 and name HB*  )  3.70  1.90  0.37
 assign (resid 101 and name HB*  ) (resid 101 and name HD*  )  2.36  0.56  0.24
 assign (resid 101 and name HB*  ) (resid 101 and name HE*  )  3.46  1.66  0.35
 assign (resid 101 and name HB*  ) (resid 102 and name HN   )  3.48  1.68  0.35
 assign (resid 104 and name HN   ) (resid 105 and name HG1* )  5.25  3.45  0.53
 assign (resid 104 and name HB*  ) (resid 105 and name HN   )  3.73  1.93  0.37
 assign (resid 104 and name HB*  ) (resid 106 and name HG1* )  4.24  2.44  0.42
 assign (resid 105 and name HN   ) (resid 105 and name HG1* )  3.51  1.71  0.35
 assign (resid 105 and name HG2* ) (resid 105 and name HG1* )  3.40  1.60  0.34
 assign (resid 105 and name HG1* ) (resid 106 and name HN   )  4.79  2.99  0.48
 assign (resid 107 and name HN   ) (resid 107 and name HB*  )  3.18  1.38  0.32
 assign (resid 107 and name HB*  ) (resid 108 and name HN   )  3.81  2.01  0.38
 assign (resid 109 and name HN   ) (resid 109 and name HB*  )  3.21  1.41  0.32
 assign (resid 109 and name HB*  ) (resid 109 and name HG   )  2.46  0.66  0.25
 assign (resid 109 and name HB*  ) (resid 109 and name HD1* )  2.75  0.95  0.28
 assign (resid 109 and name HB*  ) (resid 109 and name HD2* )  2.79  0.99  0.28
 assign (resid 109 and name HB*  ) (resid 110 and name HN   )  3.96  2.16  0.40
 assign (resid 110 and name HN   ) (resid 110 and name HB*  )  3.10  1.30  0.31
 assign (resid 110 and name HN   ) (resid 110 and name HG*  )  3.67  1.87  0.37
 assign (resid 110 and name HB*  ) (resid 110 and name HG*  )  2.34  0.54  0.23
! manual Ha-Ha constraints for degenerate Ha's in beta strands
 assign (resid  78 and name HA   ) (resid 105 and name HA   )  4.00  2.20  0.40
! assign (resid  83 and name HA   ) (resid 100 and name HA   )  4.00  2.20  0.40   already made by CYANA
 assign (resid  47 and name HA   ) (resid  58 and name HA   )  4.00  2.20  0.40
!


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Contact the webmaster for help, if required. Saturday, September 19, 2020 1:27:17 PM GMT (wattos1)