NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
523181 |
2lk9   |
17985 | cing | 3-converted-DOCR | STAR | entry | full | 23 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2lk9
# This DOCR archive file contains, for PDB entry <2lk9>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_2lk9
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2lk9"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 2lk9"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2lk9 "Master copy" rr_2lk9
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2lk9
_Assembly.ID 1
_Assembly.Name 2lk9
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "not present"
_Assembly.Molecular_mass 3919.2256
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 "Bone marrow stromal antigen 2" 1 $Bone_marrow_stromal_antigen_2 A . no . . . . . . rr_2lk9 1
stop_
save_
save_Bone_marrow_stromal_antigen_2
_Entity.Sf_category entity
_Entity.Sf_framecode Bone_marrow_stromal_antigen_2
_Entity.Entry_ID rr_2lk9
_Entity.ID 1
_Entity.Name Bone_marrow_stromal_antigen_2
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;KRSKLLLGIGILVLLIIVIL
GVPLIIFTIKKKKKK
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 35
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 3919.2256
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . LYS . rr_2lk9 1
2 . ARG . rr_2lk9 1
3 . SER . rr_2lk9 1
4 . LYS . rr_2lk9 1
5 . LEU . rr_2lk9 1
6 . LEU . rr_2lk9 1
7 . LEU . rr_2lk9 1
8 . GLY . rr_2lk9 1
9 . ILE . rr_2lk9 1
10 . GLY . rr_2lk9 1
11 . ILE . rr_2lk9 1
12 . LEU . rr_2lk9 1
13 . VAL . rr_2lk9 1
14 . LEU . rr_2lk9 1
15 . LEU . rr_2lk9 1
16 . ILE . rr_2lk9 1
17 . ILE . rr_2lk9 1
18 . VAL . rr_2lk9 1
19 . ILE . rr_2lk9 1
20 . LEU . rr_2lk9 1
21 . GLY . rr_2lk9 1
22 . VAL . rr_2lk9 1
23 . PRO . rr_2lk9 1
24 . LEU . rr_2lk9 1
25 . ILE . rr_2lk9 1
26 . ILE . rr_2lk9 1
27 . PHE . rr_2lk9 1
28 . THR . rr_2lk9 1
29 . ILE . rr_2lk9 1
30 . LYS . rr_2lk9 1
31 . LYS . rr_2lk9 1
32 . LYS . rr_2lk9 1
33 . LYS . rr_2lk9 1
34 . LYS . rr_2lk9 1
35 . LYS . rr_2lk9 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. LYS 1 1 rr_2lk9 1
. ARG 2 2 rr_2lk9 1
. SER 3 3 rr_2lk9 1
. LYS 4 4 rr_2lk9 1
. LEU 5 5 rr_2lk9 1
. LEU 6 6 rr_2lk9 1
. LEU 7 7 rr_2lk9 1
. GLY 8 8 rr_2lk9 1
. ILE 9 9 rr_2lk9 1
. GLY 10 10 rr_2lk9 1
. ILE 11 11 rr_2lk9 1
. LEU 12 12 rr_2lk9 1
. VAL 13 13 rr_2lk9 1
. LEU 14 14 rr_2lk9 1
. LEU 15 15 rr_2lk9 1
. ILE 16 16 rr_2lk9 1
. ILE 17 17 rr_2lk9 1
. VAL 18 18 rr_2lk9 1
. ILE 19 19 rr_2lk9 1
. LEU 20 20 rr_2lk9 1
. GLY 21 21 rr_2lk9 1
. VAL 22 22 rr_2lk9 1
. PRO 23 23 rr_2lk9 1
. LEU 24 24 rr_2lk9 1
. ILE 25 25 rr_2lk9 1
. ILE 26 26 rr_2lk9 1
. PHE 27 27 rr_2lk9 1
. THR 28 28 rr_2lk9 1
. ILE 29 29 rr_2lk9 1
. LYS 30 30 rr_2lk9 1
. LYS 31 31 rr_2lk9 1
. LYS 32 32 rr_2lk9 1
. LYS 33 33 rr_2lk9 1
. LYS 34 34 rr_2lk9 1
. LYS 35 35 rr_2lk9 1
stop_
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2lk9
_Conformer_stat_list.ID 1
_Conformer_stat_list.Conf_family_coord_set_ID 1
_Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures
_Conformer_stat_list.Conformer_submitted_total_num 1
save_
save_ensemble_of_conformers
_Conformer_family_coord_set.Sf_category conformer_family_coord_set
_Conformer_family_coord_set.Sf_framecode ensemble_of_conformers
_Conformer_family_coord_set.Entry_ID rr_2lk9
_Conformer_family_coord_set.ID 1
loop_
_Conformer_family_refinement.Refine_method
_Conformer_family_refinement.Refine_details
_Conformer_family_refinement.Software_ID
_Conformer_family_refinement.Software_label
_Conformer_family_refinement.Entry_ID
_Conformer_family_refinement.Conformer_family_coord_set_ID
1 . . . rr_2lk9 1
stop_
loop_
_Conformer_family_software.Software_ID
_Conformer_family_software.Software_label
_Conformer_family_software.Method_ID
_Conformer_family_software.Method_label
_Conformer_family_software.Entry_ID
_Conformer_family_software.Conformer_family_coord_set_ID
. . . . rr_2lk9 1
stop_
loop_
_Atom_site.Assembly_ID
_Atom_site.Model_ID
_Atom_site.Model_site_ID
_Atom_site.ID
_Atom_site.Assembly_atom_ID
_Atom_site.Label_entity_assembly_ID
_Atom_site.Label_entity_ID
_Atom_site.Label_comp_index_ID
_Atom_site.Label_comp_ID
_Atom_site.Label_atom_ID
_Atom_site.Type_symbol
_Atom_site.Cartn_x
_Atom_site.Cartn_y
_Atom_site.Cartn_z
_Atom_site.Cartn_x_esd
_Atom_site.Cartn_y_esd
_Atom_site.Cartn_z_esd
_Atom_site.Occupancy
_Atom_site.Occupancy_esd
_Atom_site.Uncertainty
_Atom_site.Ordered_flag
_Atom_site.Footnote_ID
_Atom_site.PDBX_label_asym_ID
_Atom_site.PDBX_label_seq_ID
_Atom_site.PDBX_label_comp_ID
_Atom_site.PDBX_label_atom_ID
_Atom_site.PDBX_formal_charge
_Atom_site.PDBX_label_entity_ID
_Atom_site.PDB_record_ID
_Atom_site.PDB_model_num
_Atom_site.PDB_strand_ID
_Atom_site.PDB_ins_code
_Atom_site.PDB_residue_no
_Atom_site.PDB_residue_name
_Atom_site.PDB_atom_name
_Atom_site.Auth_entity_assembly_ID
_Atom_site.Auth_asym_ID
_Atom_site.Auth_chain_ID
_Atom_site.Auth_seq_ID
_Atom_site.Auth_comp_ID
_Atom_site.Auth_atom_ID
_Atom_site.Auth_alt_ID
_Atom_site.Auth_atom_name
_Atom_site.Details
_Atom_site.Entry_ID
_Atom_site.Conformer_family_coord_set_ID
. 1 . 1 . 1 1 5 LEU C C 7.566 -5.771 2.525 . . . 1.0 . . . . . . . . . . . . A . 22 LEU C . . . . . . . . . rr_2lk9 1
. 1 . 2 . 1 1 5 LEU CA C 7.077 -7.161 2.126 . . . 1.0 . . . . . . . . . . . . A . 22 LEU CA . . . . . . . . . rr_2lk9 1
. 1 . 3 . 1 1 5 LEU H H 7.083 -7.213 -0.029 . . . 1.0 . . . . . . . . . . . . A . 22 LEU H . . . . . . . . . rr_2lk9 1
. 1 . 4 . 1 1 5 LEU HA H 6.322 -7.488 2.825 . . . 1.0 . . . . . . . . . . . . A . 22 LEU HA . . . . . . . . . rr_2lk9 1
. 1 . 5 . 1 1 5 LEU N N 6.505 -7.095 0.749 . . . 1.0 . . . . . . . . . . . . A . 22 LEU N . . . . . . . . . rr_2lk9 1
. 1 . 6 . 1 1 5 LEU O O 8.143 -5.055 1.730 . . . 1.0 . . . . . . . . . . . . A . 22 LEU O . . . . . . . . . rr_2lk9 1
. 1 . 7 . 1 1 6 LEU C C 9.335 -3.950 4.072 . . . 1.0 . . . . . . . . . . . . A . 23 LEU C . . . . . . . . . rr_2lk9 1
. 1 . 8 . 1 1 6 LEU CA C 7.810 -4.039 4.190 . . . 1.0 . . . . . . . . . . . . A . 23 LEU CA . . . . . . . . . rr_2lk9 1
. 1 . 9 . 1 1 6 LEU H H 6.899 -5.972 4.388 . . . 1.0 . . . . . . . . . . . . A . 23 LEU H . . . . . . . . . rr_2lk9 1
. 1 . 10 . 1 1 6 LEU HA H 7.369 -3.287 3.560 . . . 1.0 . . . . . . . . . . . . A . 23 LEU HA . . . . . . . . . rr_2lk9 1
. 1 . 11 . 1 1 6 LEU N N 7.349 -5.381 3.750 . . . 1.0 . . . . . . . . . . . . A . 23 LEU N . . . . . . . . . rr_2lk9 1
. 1 . 12 . 1 1 6 LEU O O 9.882 -2.912 3.761 . . . 1.0 . . . . . . . . . . . . A . 23 LEU O . . . . . . . . . rr_2lk9 1
. 1 . 13 . 1 1 7 LEU C C 11.874 -4.584 2.803 . . . 1.0 . . . . . . . . . . . . A . 24 LEU C . . . . . . . . . rr_2lk9 1
. 1 . 14 . 1 1 7 LEU CA C 11.516 -4.985 4.242 . . . 1.0 . . . . . . . . . . . . A . 24 LEU CA . . . . . . . . . rr_2lk9 1
. 1 . 15 . 1 1 7 LEU H H 9.561 -5.851 4.589 . . . 1.0 . . . . . . . . . . . . A . 24 LEU H . . . . . . . . . rr_2lk9 1
. 1 . 16 . 1 1 7 LEU HA H 11.908 -4.258 4.938 . . . 1.0 . . . . . . . . . . . . A . 24 LEU HA . . . . . . . . . rr_2lk9 1
. 1 . 17 . 1 1 7 LEU N N 10.027 -5.027 4.332 . . . 1.0 . . . . . . . . . . . . A . 24 LEU N . . . . . . . . . rr_2lk9 1
. 1 . 18 . 1 1 7 LEU O O 12.756 -3.786 2.565 . . . 1.0 . . . . . . . . . . . . A . 24 LEU O . . . . . . . . . rr_2lk9 1
. 1 . 19 . 1 1 8 GLY C C 11.328 -3.203 0.266 . . . 1.0 . . . . . . . . . . . . A . 25 GLY C . . . . . . . . . rr_2lk9 1
. 1 . 20 . 1 1 8 GLY CA C 11.467 -4.715 0.423 . . . 1.0 . . . . . . . . . . . . A . 25 GLY CA . . . . . . . . . rr_2lk9 1
. 1 . 21 . 1 1 8 GLY H H 10.430 -5.717 2.024 . . . 1.0 . . . . . . . . . . . . A . 25 GLY H . . . . . . . . . rr_2lk9 1
. 1 . 22 . 1 1 8 GLY HA2 H 12.476 -5.013 0.177 . . . 1.0 . . . . . . . . . . . . A . 25 GLY HA2 . . . . . . . . . rr_2lk9 1
. 1 . 23 . 1 1 8 GLY HA3 H 10.772 -5.207 -0.242 . . . 1.0 . . . . . . . . . . . . A . 25 GLY HA3 . . . . . . . . . rr_2lk9 1
. 1 . 24 . 1 1 8 GLY N N 11.167 -5.100 1.832 . . . 1.0 . . . . . . . . . . . . A . 25 GLY N . . . . . . . . . rr_2lk9 1
. 1 . 25 . 1 1 8 GLY O O 12.118 -2.556 -0.393 . . . 1.0 . . . . . . . . . . . . A . 25 GLY O . . . . . . . . . rr_2lk9 1
. 1 . 26 . 1 1 9 ILE C C 11.343 -0.451 1.418 . . . 1.0 . . . . . . . . . . . . A . 26 ILE C . . . . . . . . . rr_2lk9 1
. 1 . 27 . 1 1 9 ILE CA C 10.131 -1.164 0.809 . . . 1.0 . . . . . . . . . . . . A . 26 ILE CA . . . . . . . . . rr_2lk9 1
. 1 . 28 . 1 1 9 ILE H H 9.726 -3.179 1.432 . . . 1.0 . . . . . . . . . . . . A . 26 ILE H . . . . . . . . . rr_2lk9 1
. 1 . 29 . 1 1 9 ILE HA H 10.037 -0.867 -0.223 . . . 1.0 . . . . . . . . . . . . A . 26 ILE HA . . . . . . . . . rr_2lk9 1
. 1 . 30 . 1 1 9 ILE N N 10.332 -2.636 0.887 . . . 1.0 . . . . . . . . . . . . A . 26 ILE N . . . . . . . . . rr_2lk9 1
. 1 . 31 . 1 1 9 ILE O O 11.791 0.567 0.929 . . . 1.0 . . . . . . . . . . . . A . 26 ILE O . . . . . . . . . rr_2lk9 1
. 1 . 32 . 1 1 10 GLY C C 14.220 -0.179 2.213 . . . 1.0 . . . . . . . . . . . . A . 27 GLY C . . . . . . . . . rr_2lk9 1
. 1 . 33 . 1 1 10 GLY CA C 13.041 -0.348 3.172 . . . 1.0 . . . . . . . . . . . . A . 27 GLY CA . . . . . . . . . rr_2lk9 1
. 1 . 34 . 1 1 10 GLY H H 11.502 -1.802 2.880 . . . 1.0 . . . . . . . . . . . . A . 27 GLY H . . . . . . . . . rr_2lk9 1
. 1 . 35 . 1 1 10 GLY HA2 H 12.753 0.622 3.550 . . . 1.0 . . . . . . . . . . . . A . 27 GLY HA2 . . . . . . . . . rr_2lk9 1
. 1 . 36 . 1 1 10 GLY HA3 H 13.346 -0.972 3.999 . . . 1.0 . . . . . . . . . . . . A . 27 GLY HA3 . . . . . . . . . rr_2lk9 1
. 1 . 37 . 1 1 10 GLY N N 11.868 -0.977 2.496 . . . 1.0 . . . . . . . . . . . . A . 27 GLY N . . . . . . . . . rr_2lk9 1
. 1 . 38 . 1 1 10 GLY O O 14.953 0.787 2.293 . . . 1.0 . . . . . . . . . . . . A . 27 GLY O . . . . . . . . . rr_2lk9 1
. 1 . 39 . 1 1 11 ILE C C 15.544 0.348 -0.313 . . . 1.0 . . . . . . . . . . . . A . 28 ILE C . . . . . . . . . rr_2lk9 1
. 1 . 40 . 1 1 11 ILE CA C 15.615 -0.991 0.423 . . . 1.0 . . . . . . . . . . . . A . 28 ILE CA . . . . . . . . . rr_2lk9 1
. 1 . 41 . 1 1 11 ILE H H 13.869 -1.909 1.289 . . . 1.0 . . . . . . . . . . . . A . 28 ILE H . . . . . . . . . rr_2lk9 1
. 1 . 42 . 1 1 11 ILE HA H 16.527 -1.038 0.998 . . . 1.0 . . . . . . . . . . . . A . 28 ILE HA . . . . . . . . . rr_2lk9 1
. 1 . 43 . 1 1 11 ILE N N 14.444 -1.117 1.334 . . . 1.0 . . . . . . . . . . . . A . 28 ILE N . . . . . . . . . rr_2lk9 1
. 1 . 44 . 1 1 11 ILE O O 16.539 1.021 -0.472 . . . 1.0 . . . . . . . . . . . . A . 28 ILE O . . . . . . . . . rr_2lk9 1
. 1 . 45 . 1 1 12 LEU C C 14.771 3.202 -0.658 . . . 1.0 . . . . . . . . . . . . A . 29 LEU C . . . . . . . . . rr_2lk9 1
. 1 . 46 . 1 1 12 LEU CA C 14.244 2.035 -1.498 . . . 1.0 . . . . . . . . . . . . A . 29 LEU CA . . . . . . . . . rr_2lk9 1
. 1 . 47 . 1 1 12 LEU H H 13.579 0.195 -0.665 . . . 1.0 . . . . . . . . . . . . A . 29 LEU H . . . . . . . . . rr_2lk9 1
. 1 . 48 . 1 1 12 LEU HA H 14.804 1.981 -2.419 . . . 1.0 . . . . . . . . . . . . A . 29 LEU HA . . . . . . . . . rr_2lk9 1
. 1 . 49 . 1 1 12 LEU N N 14.385 0.743 -0.765 . . . 1.0 . . . . . . . . . . . . A . 29 LEU N . . . . . . . . . rr_2lk9 1
. 1 . 50 . 1 1 12 LEU O O 15.348 4.135 -1.183 . . . 1.0 . . . . . . . . . . . . A . 29 LEU O . . . . . . . . . rr_2lk9 1
. 1 . 51 . 1 1 13 VAL C C 16.566 4.490 1.327 . . . 1.0 . . . . . . . . . . . . A . 30 VAL C . . . . . . . . . rr_2lk9 1
. 1 . 52 . 1 1 13 VAL CA C 15.052 4.318 1.468 . . . 1.0 . . . . . . . . . . . . A . 30 VAL CA . . . . . . . . . rr_2lk9 1
. 1 . 53 . 1 1 13 VAL H H 14.125 2.426 1.063 . . . 1.0 . . . . . . . . . . . . A . 30 VAL H . . . . . . . . . rr_2lk9 1
. 1 . 54 . 1 1 13 VAL HA H 14.559 5.225 1.156 . . . 1.0 . . . . . . . . . . . . A . 30 VAL HA . . . . . . . . . rr_2lk9 1
. 1 . 55 . 1 1 13 VAL N N 14.569 3.185 0.629 . . . 1.0 . . . . . . . . . . . . A . 30 VAL N . . . . . . . . . rr_2lk9 1
. 1 . 56 . 1 1 13 VAL O O 17.062 5.597 1.270 . . . 1.0 . . . . . . . . . . . . A . 30 VAL O . . . . . . . . . rr_2lk9 1
. 1 . 57 . 1 1 14 LEU C C 19.127 4.349 -0.120 . . . 1.0 . . . . . . . . . . . . A . 31 LEU C . . . . . . . . . rr_2lk9 1
. 1 . 58 . 1 1 14 LEU CA C 18.794 3.571 1.159 . . . 1.0 . . . . . . . . . . . . A . 31 LEU CA . . . . . . . . . rr_2lk9 1
. 1 . 59 . 1 1 14 LEU H H 16.910 2.531 1.328 . . . 1.0 . . . . . . . . . . . . A . 31 LEU H . . . . . . . . . rr_2lk9 1
. 1 . 60 . 1 1 14 LEU HA H 19.160 4.123 2.011 . . . 1.0 . . . . . . . . . . . . A . 31 LEU HA . . . . . . . . . rr_2lk9 1
. 1 . 61 . 1 1 14 LEU N N 17.313 3.419 1.281 . . . 1.0 . . . . . . . . . . . . A . 31 LEU N . . . . . . . . . rr_2lk9 1
. 1 . 62 . 1 1 14 LEU O O 20.010 5.183 -0.133 . . . 1.0 . . . . . . . . . . . . A . 31 LEU O . . . . . . . . . rr_2lk9 1
. 1 . 63 . 1 1 15 LEU C C 18.472 6.341 -2.249 . . . 1.0 . . . . . . . . . . . . A . 32 LEU C . . . . . . . . . rr_2lk9 1
. 1 . 64 . 1 1 15 LEU CA C 18.683 4.842 -2.459 . . . 1.0 . . . . . . . . . . . . A . 32 LEU CA . . . . . . . . . rr_2lk9 1
. 1 . 65 . 1 1 15 LEU H H 17.700 3.439 -1.157 . . . 1.0 . . . . . . . . . . . . A . 32 LEU H . . . . . . . . . rr_2lk9 1
. 1 . 66 . 1 1 15 LEU HA H 19.711 4.681 -2.747 . . . 1.0 . . . . . . . . . . . . A . 32 LEU HA . . . . . . . . . rr_2lk9 1
. 1 . 67 . 1 1 15 LEU N N 18.418 4.101 -1.189 . . . 1.0 . . . . . . . . . . . . A . 32 LEU N . . . . . . . . . rr_2lk9 1
. 1 . 68 . 1 1 15 LEU O O 19.192 7.158 -2.788 . . . 1.0 . . . . . . . . . . . . A . 32 LEU O . . . . . . . . . rr_2lk9 1
. 1 . 69 . 1 1 16 ILE C C 18.538 8.781 -0.594 . . . 1.0 . . . . . . . . . . . . A . 33 ILE C . . . . . . . . . rr_2lk9 1
. 1 . 70 . 1 1 16 ILE CA C 17.275 8.168 -1.210 . . . 1.0 . . . . . . . . . . . . A . 33 ILE CA . . . . . . . . . rr_2lk9 1
. 1 . 71 . 1 1 16 ILE H H 16.969 6.046 -0.983 . . . 1.0 . . . . . . . . . . . . A . 33 ILE H . . . . . . . . . rr_2lk9 1
. 1 . 72 . 1 1 16 ILE HA H 17.061 8.667 -2.141 . . . 1.0 . . . . . . . . . . . . A . 33 ILE HA . . . . . . . . . rr_2lk9 1
. 1 . 73 . 1 1 16 ILE N N 17.504 6.716 -1.457 . . . 1.0 . . . . . . . . . . . . A . 33 ILE N . . . . . . . . . rr_2lk9 1
. 1 . 74 . 1 1 16 ILE O O 18.938 9.869 -0.937 . . . 1.0 . . . . . . . . . . . . A . 33 ILE O . . . . . . . . . rr_2lk9 1
. 1 . 75 . 1 1 17 ILE C C 21.481 8.880 -0.121 . . . 1.0 . . . . . . . . . . . . A . 34 ILE C . . . . . . . . . rr_2lk9 1
. 1 . 76 . 1 1 17 ILE CA C 20.409 8.630 0.948 . . . 1.0 . . . . . . . . . . . . A . 34 ILE CA . . . . . . . . . rr_2lk9 1
. 1 . 77 . 1 1 17 ILE H H 18.847 7.204 0.578 . . . 1.0 . . . . . . . . . . . . A . 34 ILE H . . . . . . . . . rr_2lk9 1
. 1 . 78 . 1 1 17 ILE HA H 20.180 9.557 1.452 . . . 1.0 . . . . . . . . . . . . A . 34 ILE HA . . . . . . . . . rr_2lk9 1
. 1 . 79 . 1 1 17 ILE N N 19.171 8.089 0.314 . . . 1.0 . . . . . . . . . . . . A . 34 ILE N . . . . . . . . . rr_2lk9 1
. 1 . 80 . 1 1 17 ILE O O 22.211 9.851 -0.073 . . . 1.0 . . . . . . . . . . . . A . 34 ILE O . . . . . . . . . rr_2lk9 1
. 1 . 81 . 1 1 18 VAL C C 22.437 9.425 -2.933 . . . 1.0 . . . . . . . . . . . . A . 35 VAL C . . . . . . . . . rr_2lk9 1
. 1 . 82 . 1 1 18 VAL CA C 22.635 8.132 -2.132 . . . 1.0 . . . . . . . . . . . . A . 35 VAL CA . . . . . . . . . rr_2lk9 1
. 1 . 83 . 1 1 18 VAL H H 21.006 7.204 -1.066 . . . 1.0 . . . . . . . . . . . . A . 35 VAL H . . . . . . . . . rr_2lk9 1
. 1 . 84 . 1 1 18 VAL HA H 23.612 8.146 -1.674 . . . 1.0 . . . . . . . . . . . . A . 35 VAL HA . . . . . . . . . rr_2lk9 1
. 1 . 85 . 1 1 18 VAL N N 21.596 7.987 -1.068 . . . 1.0 . . . . . . . . . . . . A . 35 VAL N . . . . . . . . . rr_2lk9 1
. 1 . 86 . 1 1 18 VAL O O 23.388 10.102 -3.268 . . . 1.0 . . . . . . . . . . . . A . 35 VAL O . . . . . . . . . rr_2lk9 1
. 1 . 87 . 1 1 19 ILE C C 21.474 12.231 -3.233 . . . 1.0 . . . . . . . . . . . . A . 36 ILE C . . . . . . . . . rr_2lk9 1
. 1 . 88 . 1 1 19 ILE CA C 21.004 11.018 -4.045 . . . 1.0 . . . . . . . . . . . . A . 36 ILE CA . . . . . . . . . rr_2lk9 1
. 1 . 89 . 1 1 19 ILE H H 20.463 9.213 -2.992 . . . 1.0 . . . . . . . . . . . . A . 36 ILE H . . . . . . . . . rr_2lk9 1
. 1 . 90 . 1 1 19 ILE HA H 21.618 10.959 -4.935 . . . 1.0 . . . . . . . . . . . . A . 36 ILE HA . . . . . . . . . rr_2lk9 1
. 1 . 91 . 1 1 19 ILE N N 21.223 9.773 -3.256 . . . 1.0 . . . . . . . . . . . . A . 36 ILE N . . . . . . . . . rr_2lk9 1
. 1 . 92 . 1 1 19 ILE O O 21.995 13.186 -3.774 . . . 1.0 . . . . . . . . . . . . A . 36 ILE O . . . . . . . . . rr_2lk9 1
. 1 . 93 . 1 1 20 LEU C C 23.302 13.497 -1.257 . . . 1.0 . . . . . . . . . . . . A . 37 LEU C . . . . . . . . . rr_2lk9 1
. 1 . 94 . 1 1 20 LEU CA C 21.790 13.312 -1.080 . . . 1.0 . . . . . . . . . . . . A . 37 LEU CA . . . . . . . . . rr_2lk9 1
. 1 . 95 . 1 1 20 LEU H H 20.961 11.385 -1.503 . . . 1.0 . . . . . . . . . . . . A . 37 LEU H . . . . . . . . . rr_2lk9 1
. 1 . 96 . 1 1 20 LEU HA H 21.286 14.220 -1.370 . . . 1.0 . . . . . . . . . . . . A . 37 LEU HA . . . . . . . . . rr_2lk9 1
. 1 . 97 . 1 1 20 LEU N N 21.325 12.186 -1.935 . . . 1.0 . . . . . . . . . . . . A . 37 LEU N . . . . . . . . . rr_2lk9 1
. 1 . 98 . 1 1 20 LEU O O 23.806 14.595 -1.229 . . . 1.0 . . . . . . . . . . . . A . 37 LEU O . . . . . . . . . rr_2lk9 1
. 1 . 99 . 1 1 21 GLY C C 25.910 13.344 -2.822 . . . 1.0 . . . . . . . . . . . . A . 38 GLY C . . . . . . . . . rr_2lk9 1
. 1 . 100 . 1 1 21 GLY CA C 25.517 12.537 -1.567 . . . 1.0 . . . . . . . . . . . . A . 38 GLY CA . . . . . . . . . rr_2lk9 1
. 1 . 101 . 1 1 21 GLY H H 23.628 11.536 -1.414 . . . 1.0 . . . . . . . . . . . . A . 38 GLY H . . . . . . . . . rr_2lk9 1
. 1 . 102 . 1 1 21 GLY HA2 H 25.934 13.019 -0.697 . . . 1.0 . . . . . . . . . . . . A . 38 GLY HA2 . . . . . . . . . rr_2lk9 1
. 1 . 103 . 1 1 21 GLY HA3 H 25.932 11.542 -1.648 . . . 1.0 . . . . . . . . . . . . A . 38 GLY HA3 . . . . . . . . . rr_2lk9 1
. 1 . 104 . 1 1 21 GLY N N 24.036 12.427 -1.402 . . . 1.0 . . . . . . . . . . . . A . 38 GLY N . . . . . . . . . rr_2lk9 1
. 1 . 105 . 1 1 21 GLY O O 26.924 14.003 -2.846 . . . 1.0 . . . . . . . . . . . . A . 38 GLY O . . . . . . . . . rr_2lk9 1
. 1 . 106 . 1 1 22 VAL C C 25.880 15.446 -4.923 . . . 1.0 . . . . . . . . . . . . A . 39 VAL C . . . . . . . . . rr_2lk9 1
. 1 . 107 . 1 1 22 VAL CA C 25.573 13.947 -5.149 . . . 1.0 . . . . . . . . . . . . A . 39 VAL CA . . . . . . . . . rr_2lk9 1
. 1 . 108 . 1 1 22 VAL H H 24.377 12.652 -3.869 . . . 1.0 . . . . . . . . . . . . A . 39 VAL H . . . . . . . . . rr_2lk9 1
. 1 . 109 . 1 1 22 VAL HA H 26.473 13.476 -5.516 . . . 1.0 . . . . . . . . . . . . A . 39 VAL HA . . . . . . . . . rr_2lk9 1
. 1 . 110 . 1 1 22 VAL N N 25.163 13.238 -3.887 . . . 1.0 . . . . . . . . . . . . A . 39 VAL N . . . . . . . . . rr_2lk9 1
. 1 . 111 . 1 1 22 VAL O O 26.964 15.890 -5.243 . . . 1.0 . . . . . . . . . . . . A . 39 VAL O . . . . . . . . . rr_2lk9 1
. 1 . 112 . 1 1 23 PRO C C 26.504 17.859 -3.207 . . . 1.0 . . . . . . . . . . . . A . 40 PRO C . . . . . . . . . rr_2lk9 1
. 1 . 113 . 1 1 23 PRO CA C 25.269 17.671 -4.095 . . . 1.0 . . . . . . . . . . . . A . 40 PRO CA . . . . . . . . . rr_2lk9 1
. 1 . 114 . 1 1 23 PRO HA H 25.415 18.189 -5.030 . . . 1.0 . . . . . . . . . . . . A . 40 PRO HA . . . . . . . . . rr_2lk9 1
. 1 . 115 . 1 1 23 PRO N N 24.987 16.228 -4.360 . . . 1.0 . . . . . . . . . . . . A . 40 PRO N . . . . . . . . . rr_2lk9 1
. 1 . 116 . 1 1 23 PRO O O 27.105 18.915 -3.176 . . . 1.0 . . . . . . . . . . . . A . 40 PRO O . . . . . . . . . rr_2lk9 1
. 1 . 117 . 1 1 24 LEU C C 29.261 17.420 -2.464 . . . 1.0 . . . . . . . . . . . . A . 41 LEU C . . . . . . . . . rr_2lk9 1
. 1 . 118 . 1 1 24 LEU CA C 28.086 16.960 -1.604 . . . 1.0 . . . . . . . . . . . . A . 41 LEU CA . . . . . . . . . rr_2lk9 1
. 1 . 119 . 1 1 24 LEU H H 26.388 15.998 -2.518 . . . 1.0 . . . . . . . . . . . . A . 41 LEU H . . . . . . . . . rr_2lk9 1
. 1 . 120 . 1 1 24 LEU HA H 27.898 17.675 -0.820 . . . 1.0 . . . . . . . . . . . . A . 41 LEU HA . . . . . . . . . rr_2lk9 1
. 1 . 121 . 1 1 24 LEU N N 26.889 16.840 -2.484 . . . 1.0 . . . . . . . . . . . . A . 41 LEU N . . . . . . . . . rr_2lk9 1
. 1 . 122 . 1 1 24 LEU O O 30.088 18.203 -2.042 . . . 1.0 . . . . . . . . . . . . A . 41 LEU O . . . . . . . . . rr_2lk9 1
. 1 . 123 . 1 1 25 ILE C C 30.554 18.823 -4.671 . . . 1.0 . . . . . . . . . . . . A . 42 ILE C . . . . . . . . . rr_2lk9 1
. 1 . 124 . 1 1 25 ILE CA C 30.487 17.299 -4.541 . . . 1.0 . . . . . . . . . . . . A . 42 ILE CA . . . . . . . . . rr_2lk9 1
. 1 . 125 . 1 1 25 ILE H H 28.681 16.264 -3.963 . . . 1.0 . . . . . . . . . . . . A . 42 ILE H . . . . . . . . . rr_2lk9 1
. 1 . 126 . 1 1 25 ILE HA H 31.409 16.934 -4.116 . . . 1.0 . . . . . . . . . . . . A . 42 ILE HA . . . . . . . . . rr_2lk9 1
. 1 . 127 . 1 1 25 ILE N N 29.350 16.915 -3.664 . . . 1.0 . . . . . . . . . . . . A . 42 ILE N . . . . . . . . . rr_2lk9 1
. 1 . 128 . 1 1 25 ILE O O 31.622 19.400 -4.621 . . . 1.0 . . . . . . . . . . . . A . 42 ILE O . . . . . . . . . rr_2lk9 1
. 1 . 129 . 1 1 26 ILE C C 30.177 21.581 -3.762 . . . 1.0 . . . . . . . . . . . . A . 43 ILE C . . . . . . . . . rr_2lk9 1
. 1 . 130 . 1 1 26 ILE CA C 29.512 20.974 -5.000 . . . 1.0 . . . . . . . . . . . . A . 43 ILE CA . . . . . . . . . rr_2lk9 1
. 1 . 131 . 1 1 26 ILE H H 28.581 19.035 -4.933 . . . 1.0 . . . . . . . . . . . . A . 43 ILE H . . . . . . . . . rr_2lk9 1
. 1 . 132 . 1 1 26 ILE HA H 30.091 21.230 -5.872 . . . 1.0 . . . . . . . . . . . . A . 43 ILE HA . . . . . . . . . rr_2lk9 1
. 1 . 133 . 1 1 26 ILE N N 29.445 19.492 -4.855 . . . 1.0 . . . . . . . . . . . . A . 43 ILE N . . . . . . . . . rr_2lk9 1
. 1 . 134 . 1 1 26 ILE O O 31.034 22.433 -3.868 . . . 1.0 . . . . . . . . . . . . A . 43 ILE O . . . . . . . . . rr_2lk9 1
. 1 . 135 . 1 1 27 PHE C C 31.963 21.358 -1.412 . . . 1.0 . . . . . . . . . . . . A . 44 PHE C . . . . . . . . . rr_2lk9 1
. 1 . 136 . 1 1 27 PHE CA C 30.467 21.675 -1.363 . . . 1.0 . . . . . . . . . . . . A . 44 PHE CA . . . . . . . . . rr_2lk9 1
. 1 . 137 . 1 1 27 PHE H H 29.141 20.421 -2.533 . . . 1.0 . . . . . . . . . . . . A . 44 PHE H . . . . . . . . . rr_2lk9 1
. 1 . 138 . 1 1 27 PHE HA H 30.334 22.746 -1.339 . . . 1.0 . . . . . . . . . . . . A . 44 PHE HA . . . . . . . . . rr_2lk9 1
. 1 . 139 . 1 1 27 PHE N N 29.815 21.130 -2.590 . . . 1.0 . . . . . . . . . . . . A . 44 PHE N . . . . . . . . . rr_2lk9 1
. 1 . 140 . 1 1 27 PHE O O 32.797 22.167 -1.056 . . . 1.0 . . . . . . . . . . . . A . 44 PHE O . . . . . . . . . rr_2lk9 1
. 1 . 141 . 1 1 28 THR C C 34.512 20.752 -2.791 . . . 1.0 . . . . . . . . . . . . A . 45 THR C . . . . . . . . . rr_2lk9 1
. 1 . 142 . 1 1 28 THR CA C 33.733 19.769 -1.912 . . . 1.0 . . . . . . . . . . . . A . 45 THR CA . . . . . . . . . rr_2lk9 1
. 1 . 143 . 1 1 28 THR H H 31.601 19.530 -2.085 . . . 1.0 . . . . . . . . . . . . A . 45 THR H . . . . . . . . . rr_2lk9 1
. 1 . 144 . 1 1 28 THR HA H 34.154 19.767 -0.918 . . . 1.0 . . . . . . . . . . . . A . 45 THR HA . . . . . . . . . rr_2lk9 1
. 1 . 145 . 1 1 28 THR N N 32.300 20.172 -1.840 . . . 1.0 . . . . . . . . . . . . A . 45 THR N . . . . . . . . . rr_2lk9 1
. 1 . 146 . 1 1 28 THR O O 35.640 21.096 -2.500 . . . 1.0 . . . . . . . . . . . . A . 45 THR O . . . . . . . . . rr_2lk9 1
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_framecode global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID rr_2lk9
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2lk9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2lk9 1
1 2lk9.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 23 rr_2lk9 1
1 2lk9.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2lk9 1
stop_
save_
save_constraint_statistics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Sf_framecode constraint_statistics
_Constraint_stat_list.Entry_ID rr_2lk9
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 "From CCPN project: '2lk9'" . . . . rdc "Not applicable" . 23 rr_2lk9 1
stop_
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 2lk9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2lk9 1
1 2lk9.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 23 rr_2lk9 1
1 2lk9.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2lk9 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Sf_framecode CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Entry_ID rr_2lk9
_RDC_constraint_list.ID 1
_RDC_constraint_list.Details "Generated by Wattos"
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
loop_
_RDC_constraint_software.Software_ID
_RDC_constraint_software.Software_label
_RDC_constraint_software.Method_ID
_RDC_constraint_software.Method_label
_RDC_constraint_software.Entry_ID
_RDC_constraint_software.RDC_constraint_list_ID
. . . . rr_2lk9 1
stop_
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Atom_type_1
_RDC_constraint.Atom_isotope_number_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Atom_type_2
_RDC_constraint.Atom_isotope_number_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.RDC_val_scale_factor
_RDC_constraint.RDC_bond_length
_RDC_constraint.Source_experiment_ID
_RDC_constraint.PDB_record_ID_1
_RDC_constraint.PDB_model_num_1
_RDC_constraint.PDB_strand_ID_1
_RDC_constraint.PDB_ins_code_1
_RDC_constraint.PDB_residue_no_1
_RDC_constraint.PDB_residue_name_1
_RDC_constraint.PDB_atom_name_1
_RDC_constraint.PDB_record_ID_2
_RDC_constraint.PDB_model_num_2
_RDC_constraint.PDB_strand_ID_2
_RDC_constraint.PDB_ins_code_2
_RDC_constraint.PDB_residue_no_2
_RDC_constraint.PDB_residue_name_2
_RDC_constraint.PDB_atom_name_2
_RDC_constraint.Auth_entity_assembly_ID_1
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_chain_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_alt_ID_1
_RDC_constraint.Auth_atom_name_1
_RDC_constraint.Auth_entity_assembly_ID_2
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_chain_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Auth_alt_ID_2
_RDC_constraint.Auth_atom_name_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . 1 1 6 6 LEU N N . . . 1 1 6 6 LEU H H . . -19.3313 . . . . . . . . A . 23 LEU N . . A . 23 LEU H . . . 23 . N . . . . . 23 . HN . . rr_2lk9 1
2 . 1 1 7 7 LEU N N . . . 1 1 7 7 LEU H H . . -27.9813 . . . . . . . . A . 24 LEU N . . A . 24 LEU H . . . 24 . N . . . . . 24 . HN . . rr_2lk9 1
3 . 1 1 8 8 GLY N N . . . 1 1 8 8 GLY H H . . -31.6061 . . . . . . . . A . 25 GLY N . . A . 25 GLY H . . . 25 . N . . . . . 25 . HN . . rr_2lk9 1
4 . 1 1 9 9 ILE N N . . . 1 1 9 9 ILE H H . . -25.7485 . . . . . . . . A . 26 ILE N . . A . 26 ILE H . . . 26 . N . . . . . 26 . HN . . rr_2lk9 1
5 . 1 1 10 10 GLY N N . . . 1 1 10 10 GLY H H . . -23.5960 . . . . . . . . A . 27 GLY N . . A . 27 GLY H . . . 27 . N . . . . . 27 . HN . . rr_2lk9 1
6 . 1 1 11 11 ILE N N . . . 1 1 11 11 ILE H H . . -26.5340 . . . . . . . . A . 28 ILE N . . A . 28 ILE H . . . 28 . N . . . . . 28 . HN . . rr_2lk9 1
7 . 1 1 12 12 LEU N N . . . 1 1 12 12 LEU H H . . -29.6072 . . . . . . . . A . 29 LEU N . . A . 29 LEU H . . . 29 . N . . . . . 29 . HN . . rr_2lk9 1
8 . 1 1 13 13 VAL N N . . . 1 1 13 13 VAL H H . . -25.4557 . . . . . . . . A . 30 VAL N . . A . 30 VAL H . . . 30 . N . . . . . 30 . HN . . rr_2lk9 1
9 . 1 1 14 14 LEU N N . . . 1 1 14 14 LEU H H . . -24.5235 . . . . . . . . A . 31 LEU N . . A . 31 LEU H . . . 31 . N . . . . . 31 . HN . . rr_2lk9 1
10 . 1 1 15 15 LEU N N . . . 1 1 15 15 LEU H H . . -29.4860 . . . . . . . . A . 32 LEU N . . A . 32 LEU H . . . 32 . N . . . . . 32 . HN . . rr_2lk9 1
11 . 1 1 16 16 ILE N N . . . 1 1 16 16 ILE H H . . -26.9039 . . . . . . . . A . 33 ILE N . . A . 33 ILE H . . . 33 . N . . . . . 33 . HN . . rr_2lk9 1
12 . 1 1 17 17 ILE N N . . . 1 1 17 17 ILE H H . . -23.0573 . . . . . . . . A . 34 ILE N . . A . 34 ILE H . . . 34 . N . . . . . 34 . HN . . rr_2lk9 1
13 . 1 1 18 18 VAL N N . . . 1 1 18 18 VAL H H . . -27.9567 . . . . . . . . A . 35 VAL N . . A . 35 VAL H . . . 35 . N . . . . . 35 . HN . . rr_2lk9 1
14 . 1 1 19 19 ILE N N . . . 1 1 19 19 ILE H H . . -31.5472 . . . . . . . . A . 36 ILE N . . A . 36 ILE H . . . 36 . N . . . . . 36 . HN . . rr_2lk9 1
15 . 1 1 20 20 LEU N N . . . 1 1 20 20 LEU H H . . -22.7983 . . . . . . . . A . 37 LEU N . . A . 37 LEU H . . . 37 . N . . . . . 37 . HN . . rr_2lk9 1
16 . 1 1 21 21 GLY N N . . . 1 1 21 21 GLY H H . . -23.4865 . . . . . . . . A . 38 GLY N . . A . 38 GLY H . . . 38 . N . . . . . 38 . HN . . rr_2lk9 1
17 . 1 1 22 22 VAL N N . . . 1 1 22 22 VAL H H . . -28.6801 . . . . . . . . A . 39 VAL N . . A . 39 VAL H . . . 39 . N . . . . . 39 . HN . . rr_2lk9 1
18 . 1 1 24 24 LEU N N . . . 1 1 24 24 LEU H H . . -25.4808 . . . . . . . . A . 41 LEU N . . A . 41 LEU H . . . 41 . N . . . . . 41 . HN . . rr_2lk9 1
19 . 1 1 25 25 ILE N N . . . 1 1 25 25 ILE H H . . -17.0925 . . . . . . . . A . 42 ILE N . . A . 42 ILE H . . . 42 . N . . . . . 42 . HN . . rr_2lk9 1
20 . 1 1 26 26 ILE N N . . . 1 1 26 26 ILE H H . . -23.1278 . . . . . . . . A . 43 ILE N . . A . 43 ILE H . . . 43 . N . . . . . 43 . HN . . rr_2lk9 1
21 . 1 1 27 27 PHE N N . . . 1 1 27 27 PHE H H . . -29.9157 . . . . . . . . A . 44 PHE N . . A . 44 PHE H . . . 44 . N . . . . . 44 . HN . . rr_2lk9 1
22 . 1 1 28 28 THR N N . . . 1 1 28 28 THR H H . . -19.6891 . . . . . . . . A . 45 THR N . . A . 45 THR H . . . 45 . N . . . . . 45 . HN . . rr_2lk9 1
23 . 1 1 29 29 ILE N N . . . 1 1 29 29 ILE H H . . -13.7396 . . . . . . . . . . . . . . . . . . . . . . . 46 . N . . . . . 46 . HN . . rr_2lk9 1
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save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_2lk9
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "*HEADER ANTIVIRAL PROTEIN/IMMUNE SYSTEM 07-OCT-11 2LK9 *TITLE STRUCTURE OF BST-2/TETHERIN TRANSMEMBRANE DOMAIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: BONE MARROW STROMAL ANTIGEN 2; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: HELICAL SIGNAL-ANCHOR FOR TYPE II MEMBRANE PROTEIN REGION *COMPND 5 RESIDUES 22-45; *COMPND 6 SYNONYM: BST-2, HM1.24 ANTIGEN, TETHERIN; *COMPND 7 ENGINEERED: YES; *COMPND 8 MUTATION: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 3 ORGANISM_COMMON: HUMAN; *SOURCE 4 ORGANISM_TAXID: 9606; *SOURCE 5 GENE: BST2; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; *SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET31B(+) *KEYWDS MEMBRANE, MICELLE, ANTIVIRAL PROTEIN-IMMUNE SYSTEM COMPLEX *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR M.SKASKO, Y.WANG, Y.TIAN, A.TOKAREV, J.MUNGUIA, A.RUIZ, E.STEPHENS, *AUTHOR 2 S.OPELLA, J.GUATELLI *REVDAT 1 09-NOV-11 2LK9 0"
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