NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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489412 |
2l0j   |
cing | 1-original | 2 | STAR | chemical shift |
###################################################################
# 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) #
# 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_
_Atom_chem_shift.ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Details
1 ? 26 L N ? ? 209.00 ? ? 1 ? ?
2 ? 27 V N ? ? 165.00 ? ? 1 ? ?
3 ? 28 V N ? ? 140.80 ? ? 1 ? ?
4 ? 29 A N ? ? 175.00 ? ? 1 ? ?
5 ? 30 A N ? ? 196.00 ? ? 1 ? ?
6 ? 31 S N ? ? 151.00 ? ? 1 ? ?
7 ? 32 I N ? ? 137.70 ? ? 1 ? ?
8 ? 33 I N ? ? 197.40 ? ? 1 ? ?
9 ? 34 G N ? ? 182.00 ? ? 1 ? ?
10 ? 35 I N ? ? 156.60 ? ? 1 ? ?
11 ? 36 L N ? ? 147.80 ? ? 1 ? ?
12 ? 37 H N ? ? 223.14 ? ? 1 ? ?
13 ? 38 L N ? ? 174.00 ? ? 1 ? ?
14 ? 39 I N ? ? 151.70 ? ? 1 ? ?
15 ? 40 L N ? ? 197.50 ? ? 1 ? ?
16 ? 41 W N ? ? 224.80 ? ? 1 ? ?
17 ? 42 I N ? ? 169.30 ? ? 1 ? ?
18 ? 43 L N ? ? 154.00 ? ? 1 ? ?
19 ? 44 D N ? ? 197.02 ? ? 1 ? ?
20 ? 45 R N ? ? 194.00 ? ? 1 ? ?
21 ? 46 L N ? ? 141.00 ? ? 1 ? ?
22 ? 47 F N ? ? 83.18 ? ? 1 ? ?
23 ? 48 F N ? ? 76.66 ? ? 1 ? ?
24 ? 49 K N ? ? 107.00 ? ? 1 ? ?
25 ? 50 S N ? ? 73.00 ? ? 1 ? ?
26 ? 51 I N ? ? 75.00 ? ? 1 ? ?
27 ? 52 Y N ? ? 104.00 ? ? 1 ? ?
28 ? 53 R N ? ? 90.00 ? ? 1 ? ?
29 ? 54 F N ? ? 66.00 ? ? 1 ? ?
30 ? 55 F N ? ? 81.80 ? ? 1 ? ?
31 ? 56 E N ? ? 98.80 ? ? 1 ? ?
32 ? 57 H N ? ? 77.80 ? ? 1 ? ?
33 ? 58 G N ? ? 89.80 ? ? 1 ? ?
34 ? 59 L N ? ? 87.30 ? ? 1 ? ?
stop_
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