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
564649 2m9a 19288 cing 1-original 3 STAR dipolar coupling


###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
loop_
    _RDC.Comp_index_ID_1
    _RDC.Comp_ID_1
    _RDC.Atom_ID_1
    _RDC.Comp_index_ID_2
    _RDC.Comp_ID_2
    _RDC.Atom_ID_2
    _RDC.Val
    _RDC.Val_err

12             R              N              12             R              H              3.309          1.5            
13             D              N              13             D              H              3.241          1.5            
14             Y              N              14             Y              H              3.099          1.5            
15             I              N              15             I              H              3.427          1.5            
16             C              N              16             C              H              2.084          1.5            
17             E              N              17             E              H              8.810          1.5            
18             Y              N              18             Y              H              5.478          1.5            
19             C              N              19             C              H              4.414          1.5            
20             A              N              20             A              H              0.316          1.5            
21             R              N              21             R              H              -8.300         1.5            
22             A              N              22             A              H              2.222          1.5            
23             F              N              23             F              H              4.419          1.5            
25             S              N              25             S              H              -3.669         1.5            
26             S              N              26             S              H              -6.215         1.5            
28             N              N              28             N              H              -8.957         1.5            
29             L              N              29             L              H              -6.276         1.5            
30             A              N              30             A              H              -5.608         1.5            
31             V              N              31             V              H              -8.060         1.5            
32             H              N              32             H              H              -9.175         1.5            
33             R              N              33             R              H              -5.183         1.5            
34             M              N              34             M              H              -1.910         1.5            
35             I              N              35             I              H              -10.256        1.5            
36             H              N              36             H              H              -3.881         1.5            
38             G              N              38             G              H              -2.187         1.5            
39             E              N              39             E              H              -2.968         1.5            
40             K              N              40             K              H              4.023          1.5            
42             L              N              42             L              H              5.569          1.5            
43             Q              N              43             Q              H              2.582          1.5            
44             C              N              44             C              H              2.483          1.5            
45             E              N              45             E              H              7.536          1.5            
46             I              N              46             I              H              8.083          1.5            
47             C              N              47             C              H              4.365          1.5            
48             G              N              48             G              H              0.888          1.5            
49             F              N              49             F              H              -10.255        1.5            
50             T              N              50             T              H              3.045          1.5            
51             C              N              51             C              H              5.166          1.5            
53             Q              N              53             Q              H              -3.504         1.5            
55             A              N              55             A              H              -0.701         1.5            
56             S              N              56             S              H              -9.762         1.5            
57             L              N              57             L              H              -6.474         1.5            
58             N              N              58             N              H              -7.004         1.5            
59             W              N              59             W              H              -0.515         1.5            
60             H              N              60             H              H              -8.644         1.5            
61             M              N              61             M              H              -6.209         1.5            
62             K              N              62             K              H              -2.931         1.5            
63             K              N              63             K              H              -10.894        1.5            
64             H              N              64             H              H              -5.609         1.5            
65             D              N              65             D              H              3.560          1.5            
66             A              N              66             A              H              -2.963         1.5            
67             D              N              67             D              H              -5.229         1.5            
68             S              N              68             S              H              0.405          1.5            
69             F              N              69             F              H              -1.933         1.5            
70             Y              N              70             Y              H              -5.785         1.5            
71             Q              N              71             Q              H              1.223          1.5            
72             F              N              72             F              H              -0.227         1.5            
73             S              N              73             S              H              -5.894         1.5            
74             C              N              74             C              H              -3.218         1.5            
76             I              N              76             I              H              1.391          1.5            
77             C              N              77             C              H              -2.243         1.5            
78             G              N              78             G              H              -5.331         1.5            
79             K              N              79             K              H              8.954          1.5            
80             K              N              80             K              H              -5.554         1.5            
81             F              N              81             F              H              -5.186         1.5            
82             E              N              82             E              H              -5.580         1.5            
83             K              N              83             K              H              -2.906         1.5            
84             K              N              84             K              H              2.073          1.5            
85             D              N              85             D              H              5.018          1.5            
86             S              N              86             S              H              4.521          1.5            
87             V              N              87             V              H              -0.949         1.5            
88             V              N              88             V              H              7.029          1.5            
89             A              N              89             A              H              10.423         1.5            
90             H              N              90             H              H              2.566          1.5            
91             K              N              91             K              H              0.701          1.5            
92             A              N              92             A              H              8.158          1.5            
93             K              N              93             K              H              7.370          1.5            
94             S              N              94             S              H              0.680          1.5            
95             H              N              95             H              H              -1.449         1.5            
97             E              N              97             E              H              -1.796         1.5            
98             V              N              98             V              H              2.857          1.5            

stop_

###################################################################
#       Chemical Shift Ambiguity Index Value Definitions          #
#                                                                 #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains.                              #
#                                                                 #
#   Index Value            Definition                             #
#                                                                 #
#      1             Unique (including isolated methyl protons,   #
#                         geminal atoms, and geminal methyl       #
#                         groups with identical chemical shifts)  #
#                         (e.g. ILE HD11, HD12, HD13 protons)     #
#      2             Ambiguity of geminal atoms or geminal methyl #
#                         proton groups (e.g. ASP HB2 and HB3     #
#                         protons, LEU CD1 and CD2 carbons, or    #
#                         LEU HD11, HD12, HD13 and HD21, HD22,    #
#                         HD23 methyl protons)                    #
#      3             Aromatic atoms on opposite sides of          #
#                         symmetrical rings (e.g. TYR HE1 and HE2 #
#                         protons)                                #
#      4             Intraresidue ambiguities (e.g. LYS HG and    #
#                         HD protons or TRP HZ2 and HZ3 protons)  #
#      5             Interresidue ambiguities (LYS 12 vs. LYS 27) #
#      6             Intermolecular ambiguities (e.g. ASP 31 CA   #
#                         in monomer 1 and ASP 31 CA in monomer 2 #
#                         of an asymmetrical homodimer, duplex    #
#                         DNA assignments, or other assignments   #
#                         that may apply to atoms in one or more  #
#                         molecule in the molecular assembly)     #
#      9             Ambiguous, specific ambiguity not defined    #
#                                                                 #
###################################################################
loop_
    _RDC.Comp_index_ID_1
    _RDC.Comp_ID_1
    _RDC.Atom_ID_1
    _RDC.Comp_index_ID_2
    _RDC.Comp_ID_2
    _RDC.Atom_type_2
    _RDC.Val
    _RDC.Val_err

13             D              N              13             D              H              -7.746         1.5            
14             Y              N              14             Y              H              -10.180        1.5            
15             I              N              15             I              H              -7.704         1.5            
16             C              N              16             C              H              -5.839         1.5            
17             E              N              17             E              H              -5.721         1.5            
18             Y              N              18             Y              H              -9.646         1.5            
19             C              N              19             C              H              -9.094         1.5            
20             A              N              20             A              H              -6.683         1.5            
21             R              N              21             R              H              4.972          1.5            
22             A              N              22             A              H              -8.785         1.5            
23             F              N              23             F              H              -8.447         1.5            
24             K              N              24             K              H              -4.057         1.5            
25             S              N              25             S              H              7.506          1.5            
26             S              N              26             S              H              11.734         1.5            
29             L              N              29             L              H              12.605         1.5            
30             A              N              30             A              H              11.476         1.5            
31             V              N              31             V              H              20.742         1.5            
32             H              N              32             H              H              18.374         1.5            
33             R              N              33             R              H              11.961         1.5            
34             M              N              34             M              H              7.531          1.5            
35             I              N              35             I              H              24.146         1.5            
36             H              N              36             H              H              8.718          1.5            
38             G              N              38             G              H              2.240          1.5            
39             E              N              39             E              H              7.300          1.5            
40             K              N              40             K              H              -10.217        1.5            
42             L              N              42             L              H              -10.056        1.5            
43             Q              N              43             Q              H              -9.771         1.5            
44             C              N              44             C              H              -6.405         1.5            
45             E              N              45             E              H              -1.715         1.5            
46             I              N              46             I              H              -8.573         1.5            
47             C              N              47             C              H              -4.755         1.5            
48             G              N              48             G              H              -5.768         1.5            
49             F              N              49             F              H              21.811         1.5            
50             T              N              50             T              H              -8.589         1.5            
51             C              N              51             C              H              -15.168        1.5            
53             Q              N              53             Q              H              2.983          1.5            
54             K              N              54             K              H              15.701         1.5            
55             A              N              55             A              H              19.863         1.5            
56             S              N              56             S              H              20.663         1.5            
57             L              N              57             L              H              14.529         1.5            
58             N              N              58             N              H              18.649         1.5            
59             W              N              59             W              H              -1.072         1.5            
60             H              N              60             H              H              0.563          1.5            
61             M              N              61             M              H              17.064         1.5            
62             K              N              62             K              H              17.142         1.5            
63             K              N              63             K              H              25.901         1.5            
64             H              N              64             H              H              9.607          1.5            
65             D              N              65             D              H              0.757          1.5            
66             A              N              66             A              H              0.722          1.5            
67             D              N              67             D              H              2.877          1.5            
68             S              N              68             S              H              1.784          1.5            
69             F              N              69             F              H              -2.871         1.5            
70             Y              N              70             Y              H              -2.759         1.5            
71             Q              N              71             Q              H              -5.682         1.5            
72             F              N              72             F              H              -4.749         1.5            
73             S              N              73             S              H              -4.174         1.5            
74             C              N              74             C              H              0.922          1.5            
76             I              N              76             I              H              -8.194         1.5            
77             C              N              77             C              H              -7.383         1.5            
78             G              N              78             G              H              1.198          1.5            
79             K              N              79             K              H              13.913         1.5            
80             K              N              80             K              H              4.131          1.5            
81             F              N              81             F              H              -7.334         1.5            
82             E              N              82             E              H              -8.012         1.5            
83             K              N              83             K              H              -3.886         1.5            
84             K              N              84             K              H              0.367          1.5            
85             D              N              85             D              H              3.377          1.5            
86             S              N              86             S              H              9.833          1.5            
87             V              N              87             V              H              -2.016         1.5            
88             V              N              88             V              H              2.875          1.5            
89             A              N              89             A              H              9.689          1.5            
90             H              N              90             H              H              5.609          1.5            
91             K              N              91             K              H              -0.770         1.5            
92             A              N              92             A              H              4.768          1.5            
93             K              N              93             K              H              10.280         1.5            
94             S              N              94             S              H              0.416          1.5            
97             E              N              97             E              H              -2.508         1.5            
98             V              N              98             V              H              -1.042         1.5            

stop_




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