NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
587040 |
2mtx   |
25190 | cing | 3-converted-DOCR | STAR | entry | full | 121 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_2mtx
# This DOCR archive file contains, for PDB entry <2mtx>:
#
# - 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_2mtx
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 2mtx"
_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 2mtx"
_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 2mtx "Master copy" rr_2mtx
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_2mtx
_Assembly.ID 1
_Assembly.Name 2mtx
_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 2271.702
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 "Apical membrane antigen 1" 1 $Apical_membrane_antigen_1 A . no . . . . . . rr_2mtx 1
stop_
save_
save_Apical_membrane_antigen_1
_Entity.Sf_category entity
_Entity.Sf_framecode Apical_membrane_antigen_1
_Entity.Entry_ID rr_2mtx
_Entity.ID 1
_Entity.Name Apical_membrane_antigen_1
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;MIKSAFLPTGAFKADRYKSH
X
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 21
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 2271.702
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 . MET . rr_2mtx 1
2 . ILE . rr_2mtx 1
3 . LYS . rr_2mtx 1
4 . SER . rr_2mtx 1
5 . ALA . rr_2mtx 1
6 . PHE . rr_2mtx 1
7 . LEU . rr_2mtx 1
8 . PRO . rr_2mtx 1
9 . THR . rr_2mtx 1
10 . GLY . rr_2mtx 1
11 . ALA . rr_2mtx 1
12 . PHE . rr_2mtx 1
13 . LYS . rr_2mtx 1
14 . ALA . rr_2mtx 1
15 . ASP . rr_2mtx 1
16 . ARG . rr_2mtx 1
17 . TYR . rr_2mtx 1
18 . LYS . rr_2mtx 1
19 . SER . rr_2mtx 1
20 . HIS . rr_2mtx 1
21 . NH2 . rr_2mtx 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
. MET 1 1 rr_2mtx 1
. ILE 2 2 rr_2mtx 1
. LYS 3 3 rr_2mtx 1
. SER 4 4 rr_2mtx 1
. ALA 5 5 rr_2mtx 1
. PHE 6 6 rr_2mtx 1
. LEU 7 7 rr_2mtx 1
. PRO 8 8 rr_2mtx 1
. THR 9 9 rr_2mtx 1
. GLY 10 10 rr_2mtx 1
. ALA 11 11 rr_2mtx 1
. PHE 12 12 rr_2mtx 1
. LYS 13 13 rr_2mtx 1
. ALA 14 14 rr_2mtx 1
. ASP 15 15 rr_2mtx 1
. ARG 16 16 rr_2mtx 1
. TYR 17 17 rr_2mtx 1
. LYS 18 18 rr_2mtx 1
. SER 19 19 rr_2mtx 1
. HIS 20 20 rr_2mtx 1
. NH2 21 21 rr_2mtx 1
stop_
save_
save_chem_comp_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NH2
_Chem_comp.Entry_ID rr_2mtx
_Chem_comp.ID NH2
_Chem_comp.Name "AMINO GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code NH2
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "H2 N"
_Chem_comp.Formula_weight 16.0225
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_2mtx
_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_2mtx
_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_2mtx 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_2mtx 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 1 MET C C -21.296 -0.889 1.527 . . . 1.0 . . . . . . . . . . . . A . 1 MET C . . . . . . . . . rr_2mtx 1
. 1 . 2 . 1 1 1 MET CA C -21.808 -0.931 2.994 . . . 1.0 . . . . . . . . . . . . A . 1 MET CA . . . . . . . . . rr_2mtx 1
. 1 . 3 . 1 1 1 MET CB C -22.071 -2.394 3.445 . . . 1.0 . . . . . . . . . . . . A . 1 MET CB . . . . . . . . . rr_2mtx 1
. 1 . 4 . 1 1 1 MET CE C -19.812 -3.343 5.877 . . . 1.0 . . . . . . . . . . . . A . 1 MET CE . . . . . . . . . rr_2mtx 1
. 1 . 5 . 1 1 1 MET CG C -22.356 -2.585 4.948 . . . 1.0 . . . . . . . . . . . . A . 1 MET CG . . . . . . . . . rr_2mtx 1
. 1 . 6 . 1 1 1 MET H1 H -23.965 -0.502 2.855 . . . 1.0 . . . . . . . . . . . . A . 1 MET H1 . . . . . . . . . rr_2mtx 1
. 1 . 7 . 1 1 1 MET HA H -21.025 -0.537 3.672 . . . 1.0 . . . . . . . . . . . . A . 1 MET HA . . . . . . . . . rr_2mtx 1
. 1 . 8 . 1 1 1 MET HB2 H -22.906 -2.831 2.863 . . . 1.0 . . . . . . . . . . . . A . 1 MET HB2 . . . . . . . . . rr_2mtx 1
. 1 . 9 . 1 1 1 MET HB3 H -21.194 -3.018 3.190 . . . 1.0 . . . . . . . . . . . . A . 1 MET HB3 . . . . . . . . . rr_2mtx 1
. 1 . 10 . 1 1 1 MET HE1 H -18.925 -3.128 6.500 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE1 . . . . . . . . . rr_2mtx 1
. 1 . 11 . 1 1 1 MET HE2 H -20.271 -4.278 6.246 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE2 . . . . . . . . . rr_2mtx 1
. 1 . 12 . 1 1 1 MET HE3 H -19.469 -3.510 4.841 . . . 1.0 . . . . . . . . . . . . A . 1 MET HE3 . . . . . . . . . rr_2mtx 1
. 1 . 13 . 1 1 1 MET HG2 H -23.278 -2.049 5.237 . . . 1.0 . . . . . . . . . . . . A . 1 MET HG2 . . . . . . . . . rr_2mtx 1
. 1 . 14 . 1 1 1 MET HG3 H -22.541 -3.651 5.175 . . . 1.0 . . . . . . . . . . . . A . 1 MET HG3 . . . . . . . . . rr_2mtx 1
. 1 . 15 . 1 1 1 MET N N -23.049 -0.113 3.105 . . . 1.0 . . . . . . . . . . . . A . 1 MET N . . . . . . . . . rr_2mtx 1
. 1 . 16 . 1 1 1 MET O O -21.974 -1.361 0.607 . . . 1.0 . . . . . . . . . . . . A . 1 MET O . . . . . . . . . rr_2mtx 1
. 1 . 17 . 1 1 1 MET SD S -20.986 -1.972 5.959 . . . 1.0 . . . . . . . . . . . . A . 1 MET SD . . . . . . . . . rr_2mtx 1
. 1 . 18 . 1 1 2 ILE C C -18.672 -1.518 -0.372 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . rr_2mtx 1
. 1 . 19 . 1 1 2 ILE CA C -19.446 -0.210 -0.013 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . rr_2mtx 1
. 1 . 20 . 1 1 2 ILE CB C -18.576 1.100 -0.108 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . rr_2mtx 1
. 1 . 21 . 1 1 2 ILE CD1 C -19.105 1.668 -2.614 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . rr_2mtx 1
. 1 . 22 . 1 1 2 ILE CG1 C -18.038 1.414 -1.538 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . rr_2mtx 1
. 1 . 23 . 1 1 2 ILE CG2 C -17.386 1.164 0.886 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . rr_2mtx 1
. 1 . 24 . 1 1 2 ILE H H -19.633 0.028 2.177 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . rr_2mtx 1
. 1 . 25 . 1 1 2 ILE HA H -20.267 -0.067 -0.745 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . rr_2mtx 1
. 1 . 26 . 1 1 2 ILE HB H -19.241 1.942 0.165 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . rr_2mtx 1
. 1 . 27 . 1 1 2 ILE HD11 H -19.719 0.770 -2.810 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . rr_2mtx 1
. 1 . 28 . 1 1 2 ILE HD12 H -18.639 1.954 -3.574 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . rr_2mtx 1
. 1 . 29 . 1 1 2 ILE HD13 H -19.790 2.487 -2.325 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . rr_2mtx 1
. 1 . 30 . 1 1 2 ILE HG12 H -17.396 2.314 -1.502 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . rr_2mtx 1
. 1 . 31 . 1 1 2 ILE HG13 H -17.369 0.602 -1.881 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . rr_2mtx 1
. 1 . 32 . 1 1 2 ILE HG21 H -17.711 1.008 1.931 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . rr_2mtx 1
. 1 . 33 . 1 1 2 ILE HG22 H -16.884 2.150 0.861 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . rr_2mtx 1
. 1 . 34 . 1 1 2 ILE HG23 H -16.614 0.403 0.667 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . rr_2mtx 1
. 1 . 35 . 1 1 2 ILE N N -20.086 -0.331 1.330 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . rr_2mtx 1
. 1 . 36 . 1 1 2 ILE O O -17.817 -1.979 0.392 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . rr_2mtx 1
. 1 . 37 . 1 1 3 LYS C C -17.143 -2.835 -2.999 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . rr_2mtx 1
. 1 . 38 . 1 1 3 LYS CA C -18.305 -3.306 -2.073 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . rr_2mtx 1
. 1 . 39 . 1 1 3 LYS CB C -19.368 -4.187 -2.806 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . rr_2mtx 1
. 1 . 40 . 1 1 3 LYS CD C -19.933 -6.472 -3.844 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . rr_2mtx 1
. 1 . 41 . 1 1 3 LYS CE C -19.445 -7.905 -4.127 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . rr_2mtx 1
. 1 . 42 . 1 1 3 LYS CG C -18.882 -5.623 -3.101 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . rr_2mtx 1
. 1 . 43 . 1 1 3 LYS H H -19.703 -1.598 -2.093 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . rr_2mtx 1
. 1 . 44 . 1 1 3 LYS HA H -17.874 -3.889 -1.224 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . rr_2mtx 1
. 1 . 45 . 1 1 3 LYS HB2 H -20.325 -4.252 -2.240 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . rr_2mtx 1
. 1 . 46 . 1 1 3 LYS HB3 H -19.660 -3.698 -3.757 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . rr_2mtx 1
. 1 . 47 . 1 1 3 LYS HD2 H -20.865 -6.507 -3.246 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . rr_2mtx 1
. 1 . 48 . 1 1 3 LYS HD3 H -20.200 -5.974 -4.795 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . rr_2mtx 1
. 1 . 49 . 1 1 3 LYS HE2 H -18.522 -7.886 -4.736 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . rr_2mtx 1
. 1 . 50 . 1 1 3 LYS HE3 H -19.183 -8.418 -3.183 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . rr_2mtx 1
. 1 . 51 . 1 1 3 LYS HG2 H -17.952 -5.584 -3.699 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . rr_2mtx 1
. 1 . 52 . 1 1 3 LYS HG3 H -18.610 -6.119 -2.151 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . rr_2mtx 1
. 1 . 53 . 1 1 3 LYS HZ2 H -21.311 -8.777 -4.252 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . rr_2mtx 1
. 1 . 54 . 1 1 3 LYS HZ3 H -20.138 -9.653 -4.977 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ3 . . . . . . . . . rr_2mtx 1
. 1 . 55 . 1 1 3 LYS N N -18.979 -2.086 -1.555 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . rr_2mtx 1
. 1 . 56 . 1 1 3 LYS NZ N -20.470 -8.693 -4.833 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . rr_2mtx 1
. 1 . 57 . 1 1 3 LYS O O -17.358 -2.488 -4.166 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . rr_2mtx 1
. 1 . 58 . 1 1 4 SER C C -13.443 -3.068 -2.574 . . . 1.0 . . . . . . . . . . . . A . 4 SER C . . . . . . . . . rr_2mtx 1
. 1 . 59 . 1 1 4 SER CA C -14.696 -2.384 -3.185 . . . 1.0 . . . . . . . . . . . . A . 4 SER CA . . . . . . . . . rr_2mtx 1
. 1 . 60 . 1 1 4 SER CB C -14.552 -0.839 -3.193 . . . 1.0 . . . . . . . . . . . . A . 4 SER CB . . . . . . . . . rr_2mtx 1
. 1 . 61 . 1 1 4 SER H H -15.875 -3.117 -1.468 . . . 1.0 . . . . . . . . . . . . A . 4 SER H . . . . . . . . . rr_2mtx 1
. 1 . 62 . 1 1 4 SER HA H -14.799 -2.701 -4.243 . . . 1.0 . . . . . . . . . . . . A . 4 SER HA . . . . . . . . . rr_2mtx 1
. 1 . 63 . 1 1 4 SER HB2 H -13.648 -0.540 -3.756 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB2 . . . . . . . . . rr_2mtx 1
. 1 . 64 . 1 1 4 SER HB3 H -15.400 -0.379 -3.735 . . . 1.0 . . . . . . . . . . . . A . 4 SER HB3 . . . . . . . . . rr_2mtx 1
. 1 . 65 . 1 1 4 SER HG H -15.309 -0.543 -1.447 . . . 1.0 . . . . . . . . . . . . A . 4 SER HG . . . . . . . . . rr_2mtx 1
. 1 . 66 . 1 1 4 SER N N -15.915 -2.810 -2.446 . . . 1.0 . . . . . . . . . . . . A . 4 SER N . . . . . . . . . rr_2mtx 1
. 1 . 67 . 1 1 4 SER O O -13.221 -3.020 -1.358 . . . 1.0 . . . . . . . . . . . . A . 4 SER O . . . . . . . . . rr_2mtx 1
. 1 . 68 . 1 1 4 SER OG O -14.491 -0.288 -1.880 . . . 1.0 . . . . . . . . . . . . A . 4 SER OG . . . . . . . . . rr_2mtx 1
. 1 . 69 . 1 1 5 ALA C C -10.235 -3.385 -2.617 . . . 1.0 . . . . . . . . . . . . A . 5 ALA C . . . . . . . . . rr_2mtx 1
. 1 . 70 . 1 1 5 ALA CA C -11.366 -4.372 -3.023 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CA . . . . . . . . . rr_2mtx 1
. 1 . 71 . 1 1 5 ALA CB C -10.903 -5.293 -4.168 . . . 1.0 . . . . . . . . . . . . A . 5 ALA CB . . . . . . . . . rr_2mtx 1
. 1 . 72 . 1 1 5 ALA H H -12.941 -3.736 -4.402 . . . 1.0 . . . . . . . . . . . . A . 5 ALA H . . . . . . . . . rr_2mtx 1
. 1 . 73 . 1 1 5 ALA HA H -11.637 -5.035 -2.182 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HA . . . . . . . . . rr_2mtx 1
. 1 . 74 . 1 1 5 ALA HB1 H -11.680 -6.031 -4.442 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB1 . . . . . . . . . rr_2mtx 1
. 1 . 75 . 1 1 5 ALA HB2 H -10.006 -5.874 -3.881 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB2 . . . . . . . . . rr_2mtx 1
. 1 . 76 . 1 1 5 ALA HB3 H -10.646 -4.730 -5.085 . . . 1.0 . . . . . . . . . . . . A . 5 ALA HB3 . . . . . . . . . rr_2mtx 1
. 1 . 77 . 1 1 5 ALA N N -12.604 -3.673 -3.440 . . . 1.0 . . . . . . . . . . . . A . 5 ALA N . . . . . . . . . rr_2mtx 1
. 1 . 78 . 1 1 5 ALA O O -9.825 -2.532 -3.411 . . . 1.0 . . . . . . . . . . . . A . 5 ALA O . . . . . . . . . rr_2mtx 1
. 1 . 79 . 1 1 6 PHE C C -7.249 -3.025 -1.411 . . . 1.0 . . . . . . . . . . . . A . 6 PHE C . . . . . . . . . rr_2mtx 1
. 1 . 80 . 1 1 6 PHE CA C -8.653 -2.674 -0.829 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CA . . . . . . . . . rr_2mtx 1
. 1 . 81 . 1 1 6 PHE CB C -8.688 -2.714 0.718 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CB . . . . . . . . . rr_2mtx 1
. 1 . 82 . 1 1 6 PHE CD1 C -7.847 -0.419 1.465 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD1 . . . . . . . . . rr_2mtx 1
. 1 . 83 . 1 1 6 PHE CD2 C -6.517 -2.360 2.014 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CD2 . . . . . . . . . rr_2mtx 1
. 1 . 84 . 1 1 6 PHE CE1 C -6.883 0.402 2.044 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE1 . . . . . . . . . rr_2mtx 1
. 1 . 85 . 1 1 6 PHE CE2 C -5.559 -1.537 2.599 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CE2 . . . . . . . . . rr_2mtx 1
. 1 . 86 . 1 1 6 PHE CG C -7.669 -1.808 1.441 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CG . . . . . . . . . rr_2mtx 1
. 1 . 87 . 1 1 6 PHE CZ C -5.739 -0.156 2.609 . . . 1.0 . . . . . . . . . . . . A . 6 PHE CZ . . . . . . . . . rr_2mtx 1
. 1 . 88 . 1 1 6 PHE H H -10.220 -4.204 -0.781 . . . 1.0 . . . . . . . . . . . . A . 6 PHE H . . . . . . . . . rr_2mtx 1
. 1 . 89 . 1 1 6 PHE HA H -8.928 -1.643 -1.060 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HA . . . . . . . . . rr_2mtx 1
. 1 . 90 . 1 1 6 PHE HB2 H -9.704 -2.457 1.079 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB2 . . . . . . . . . rr_2mtx 1
. 1 . 91 . 1 1 6 PHE HB3 H -8.551 -3.759 1.013 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HB3 . . . . . . . . . rr_2mtx 1
. 1 . 92 . 1 1 6 PHE HD1 H -8.723 0.029 1.016 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD1 . . . . . . . . . rr_2mtx 1
. 1 . 93 . 1 1 6 PHE HD2 H -6.350 -3.428 1.993 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HD2 . . . . . . . . . rr_2mtx 1
. 1 . 94 . 1 1 6 PHE HE1 H -7.021 1.474 2.052 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE1 . . . . . . . . . rr_2mtx 1
. 1 . 95 . 1 1 6 PHE HE2 H -4.675 -1.968 3.043 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HE2 . . . . . . . . . rr_2mtx 1
. 1 . 96 . 1 1 6 PHE HZ H -4.992 0.482 3.057 . . . 1.0 . . . . . . . . . . . . A . 6 PHE HZ . . . . . . . . . rr_2mtx 1
. 1 . 97 . 1 1 6 PHE N N -9.732 -3.532 -1.376 . . . 1.0 . . . . . . . . . . . . A . 6 PHE N . . . . . . . . . rr_2mtx 1
. 1 . 98 . 1 1 6 PHE O O -6.836 -4.189 -1.427 . . . 1.0 . . . . . . . . . . . . A . 6 PHE O . . . . . . . . . rr_2mtx 1
. 1 . 99 . 1 1 7 LEU C C -4.205 -1.368 -1.370 . . . 1.0 . . . . . . . . . . . . A . 7 LEU C . . . . . . . . . rr_2mtx 1
. 1 . 100 . 1 1 7 LEU CA C -5.155 -2.084 -2.389 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CA . . . . . . . . . rr_2mtx 1
. 1 . 101 . 1 1 7 LEU CB C -5.059 -1.461 -3.811 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CB . . . . . . . . . rr_2mtx 1
. 1 . 102 . 1 1 7 LEU CD1 C -5.955 -1.405 -6.199 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD1 . . . . . . . . . rr_2mtx 1
. 1 . 103 . 1 1 7 LEU CD2 C -4.932 -3.545 -5.332 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CD2 . . . . . . . . . rr_2mtx 1
. 1 . 104 . 1 1 7 LEU CG C -5.730 -2.280 -4.950 . . . 1.0 . . . . . . . . . . . . A . 7 LEU CG . . . . . . . . . rr_2mtx 1
. 1 . 105 . 1 1 7 LEU H H -7.006 -1.067 -1.757 . . . 1.0 . . . . . . . . . . . . A . 7 LEU H . . . . . . . . . rr_2mtx 1
. 1 . 106 . 1 1 7 LEU HA H -4.873 -3.145 -2.502 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HA . . . . . . . . . rr_2mtx 1
. 1 . 107 . 1 1 7 LEU HB2 H -5.487 -0.439 -3.779 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB2 . . . . . . . . . rr_2mtx 1
. 1 . 108 . 1 1 7 LEU HB3 H -3.995 -1.301 -4.074 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HB3 . . . . . . . . . rr_2mtx 1
. 1 . 109 . 1 1 7 LEU HD11 H -6.582 -0.524 -5.970 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD11 . . . . . . . . . rr_2mtx 1
. 1 . 110 . 1 1 7 LEU HD12 H -5.004 -1.031 -6.622 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD12 . . . . . . . . . rr_2mtx 1
. 1 . 111 . 1 1 7 LEU HD13 H -6.475 -1.963 -7.001 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD13 . . . . . . . . . rr_2mtx 1
. 1 . 112 . 1 1 7 LEU HD21 H -4.827 -4.242 -4.481 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD21 . . . . . . . . . rr_2mtx 1
. 1 . 113 . 1 1 7 LEU HD22 H -3.912 -3.302 -5.685 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD22 . . . . . . . . . rr_2mtx 1
. 1 . 114 . 1 1 7 LEU HD23 H -5.431 -4.113 -6.139 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HD23 . . . . . . . . . rr_2mtx 1
. 1 . 115 . 1 1 7 LEU HG H -6.722 -2.610 -4.593 . . . 1.0 . . . . . . . . . . . . A . 7 LEU HG . . . . . . . . . rr_2mtx 1
. 1 . 116 . 1 1 7 LEU N N -6.533 -1.973 -1.845 . . . 1.0 . . . . . . . . . . . . A . 7 LEU N . . . . . . . . . rr_2mtx 1
. 1 . 117 . 1 1 7 LEU O O -4.292 -0.138 -1.274 . . . 1.0 . . . . . . . . . . . . A . 7 LEU O . . . . . . . . . rr_2mtx 1
. 1 . 118 . 1 1 8 PRO C C -1.207 -0.618 -0.317 . . . 1.0 . . . . . . . . . . . . A . 8 PRO C . . . . . . . . . rr_2mtx 1
. 1 . 119 . 1 1 8 PRO CA C -2.385 -1.382 0.362 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CA . . . . . . . . . rr_2mtx 1
. 1 . 120 . 1 1 8 PRO CB C -1.941 -2.542 1.273 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CB . . . . . . . . . rr_2mtx 1
. 1 . 121 . 1 1 8 PRO CD C -3.211 -3.522 -0.544 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CD . . . . . . . . . rr_2mtx 1
. 1 . 122 . 1 1 8 PRO CG C -2.039 -3.789 0.401 . . . 1.0 . . . . . . . . . . . . A . 8 PRO CG . . . . . . . . . rr_2mtx 1
. 1 . 123 . 1 1 8 PRO HA H -2.970 -0.701 1.002 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HA . . . . . . . . . rr_2mtx 1
. 1 . 124 . 1 1 8 PRO HB2 H -0.928 -2.407 1.701 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB2 . . . . . . . . . rr_2mtx 1
. 1 . 125 . 1 1 8 PRO HB3 H -2.637 -2.640 2.130 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HB3 . . . . . . . . . rr_2mtx 1
. 1 . 126 . 1 1 8 PRO HD2 H -3.028 -3.979 -1.535 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD2 . . . . . . . . . rr_2mtx 1
. 1 . 127 . 1 1 8 PRO HD3 H -4.152 -3.941 -0.137 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HD3 . . . . . . . . . rr_2mtx 1
. 1 . 128 . 1 1 8 PRO HG2 H -1.104 -3.902 -0.178 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG2 . . . . . . . . . rr_2mtx 1
. 1 . 129 . 1 1 8 PRO HG3 H -2.180 -4.703 1.003 . . . 1.0 . . . . . . . . . . . . A . 8 PRO HG3 . . . . . . . . . rr_2mtx 1
. 1 . 130 . 1 1 8 PRO N N -3.291 -2.050 -0.611 . . . 1.0 . . . . . . . . . . . . A . 8 PRO N . . . . . . . . . rr_2mtx 1
. 1 . 131 . 1 1 8 PRO O O -0.229 -1.222 -0.770 . . . 1.0 . . . . . . . . . . . . A . 8 PRO O . . . . . . . . . rr_2mtx 1
. 1 . 132 . 1 1 9 THR C C 0.832 1.945 0.036 . . . 1.0 . . . . . . . . . . . . A . 9 THR C . . . . . . . . . rr_2mtx 1
. 1 . 133 . 1 1 9 THR CA C -0.312 1.619 -0.969 . . . 1.0 . . . . . . . . . . . . A . 9 THR CA . . . . . . . . . rr_2mtx 1
. 1 . 134 . 1 1 9 THR CB C -0.960 2.925 -1.525 . . . 1.0 . . . . . . . . . . . . A . 9 THR CB . . . . . . . . . rr_2mtx 1
. 1 . 135 . 1 1 9 THR CG2 C -1.942 2.706 -2.691 . . . 1.0 . . . . . . . . . . . . A . 9 THR CG2 . . . . . . . . . rr_2mtx 1
. 1 . 136 . 1 1 9 THR H H -2.241 1.090 -0.106 . . . 1.0 . . . . . . . . . . . . A . 9 THR H . . . . . . . . . rr_2mtx 1
. 1 . 137 . 1 1 9 THR HA H 0.097 1.087 -1.845 . . . 1.0 . . . . . . . . . . . . A . 9 THR HA . . . . . . . . . rr_2mtx 1
. 1 . 138 . 1 1 9 THR HB H -0.151 3.572 -1.914 . . . 1.0 . . . . . . . . . . . . A . 9 THR HB . . . . . . . . . rr_2mtx 1
. 1 . 139 . 1 1 9 THR HG1 H -0.984 3.787 0.198 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG1 . . . . . . . . . rr_2mtx 1
. 1 . 140 . 1 1 9 THR HG21 H -1.459 2.179 -3.535 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG21 . . . . . . . . . rr_2mtx 1
. 1 . 141 . 1 1 9 THR HG22 H -2.323 3.667 -3.081 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG22 . . . . . . . . . rr_2mtx 1
. 1 . 142 . 1 1 9 THR HG23 H -2.820 2.107 -2.386 . . . 1.0 . . . . . . . . . . . . A . 9 THR HG23 . . . . . . . . . rr_2mtx 1
. 1 . 143 . 1 1 9 THR N N -1.326 0.722 -0.362 . . . 1.0 . . . . . . . . . . . . A . 9 THR N . . . . . . . . . rr_2mtx 1
. 1 . 144 . 1 1 9 THR O O 0.574 2.338 1.180 . . . 1.0 . . . . . . . . . . . . A . 9 THR O . . . . . . . . . rr_2mtx 1
. 1 . 145 . 1 1 9 THR OG1 O -1.632 3.650 -0.497 . . . 1.0 . . . . . . . . . . . . A . 9 THR OG1 . . . . . . . . . rr_2mtx 1
. 1 . 146 . 1 1 10 GLY C C 3.742 3.564 0.273 . . . 1.0 . . . . . . . . . . . . A . 10 GLY C . . . . . . . . . rr_2mtx 1
. 1 . 147 . 1 1 10 GLY CA C 3.279 2.101 0.410 . . . 1.0 . . . . . . . . . . . . A . 10 GLY CA . . . . . . . . . rr_2mtx 1
. 1 . 148 . 1 1 10 GLY H H 2.169 1.478 -1.389 . . . 1.0 . . . . . . . . . . . . A . 10 GLY H . . . . . . . . . rr_2mtx 1
. 1 . 149 . 1 1 10 GLY HA2 H 3.111 1.824 1.470 . . . 1.0 . . . . . . . . . . . . A . 10 GLY HA2 . . . . . . . . . rr_2mtx 1
. 1 . 150 . 1 1 10 GLY HA3 H 4.101 1.439 0.081 . . . 1.0 . . . . . . . . . . . . A . 10 GLY HA3 . . . . . . . . . rr_2mtx 1
. 1 . 151 . 1 1 10 GLY N N 2.091 1.801 -0.419 . . . 1.0 . . . . . . . . . . . . A . 10 GLY N . . . . . . . . . rr_2mtx 1
. 1 . 152 . 1 1 10 GLY O O 4.485 3.894 -0.655 . . . 1.0 . . . . . . . . . . . . A . 10 GLY O . . . . . . . . . rr_2mtx 1
. 1 . 153 . 1 1 11 ALA C C 5.151 6.165 1.563 . . . 1.0 . . . . . . . . . . . . A . 11 ALA C . . . . . . . . . rr_2mtx 1
. 1 . 154 . 1 1 11 ALA CA C 3.659 5.863 1.236 . . . 1.0 . . . . . . . . . . . . A . 11 ALA CA . . . . . . . . . rr_2mtx 1
. 1 . 155 . 1 1 11 ALA CB C 2.687 6.609 2.173 . . . 1.0 . . . . . . . . . . . . A . 11 ALA CB . . . . . . . . . rr_2mtx 1
. 1 . 156 . 1 1 11 ALA H H 2.621 4.040 1.871 . . . 1.0 . . . . . . . . . . . . A . 11 ALA H . . . . . . . . . rr_2mtx 1
. 1 . 157 . 1 1 11 ALA HA H 3.450 6.247 0.224 . . . 1.0 . . . . . . . . . . . . A . 11 ALA HA . . . . . . . . . rr_2mtx 1
. 1 . 158 . 1 1 11 ALA HB1 H 2.777 6.276 3.225 . . . 1.0 . . . . . . . . . . . . A . 11 ALA HB1 . . . . . . . . . rr_2mtx 1
. 1 . 159 . 1 1 11 ALA HB2 H 2.870 7.699 2.160 . . . 1.0 . . . . . . . . . . . . A . 11 ALA HB2 . . . . . . . . . rr_2mtx 1
. 1 . 160 . 1 1 11 ALA HB3 H 1.632 6.463 1.873 . . . 1.0 . . . . . . . . . . . . A . 11 ALA HB3 . . . . . . . . . rr_2mtx 1
. 1 . 161 . 1 1 11 ALA N N 3.310 4.420 1.219 . . . 1.0 . . . . . . . . . . . . A . 11 ALA N . . . . . . . . . rr_2mtx 1
. 1 . 162 . 1 1 11 ALA O O 5.830 6.783 0.739 . . . 1.0 . . . . . . . . . . . . A . 11 ALA O . . . . . . . . . rr_2mtx 1
. 1 . 163 . 1 1 12 PHE C C 7.970 4.824 2.462 . . . 1.0 . . . . . . . . . . . . A . 12 PHE C . . . . . . . . . rr_2mtx 1
. 1 . 164 . 1 1 12 PHE CA C 7.061 5.883 3.158 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CA . . . . . . . . . rr_2mtx 1
. 1 . 165 . 1 1 12 PHE CB C 7.093 5.890 4.719 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CB . . . . . . . . . rr_2mtx 1
. 1 . 166 . 1 1 12 PHE CD1 C 5.434 4.131 5.596 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD1 . . . . . . . . . rr_2mtx 1
. 1 . 167 . 1 1 12 PHE CD2 C 7.768 3.889 6.164 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CD2 . . . . . . . . . rr_2mtx 1
. 1 . 168 . 1 1 12 PHE CE1 C 5.143 2.966 6.301 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE1 . . . . . . . . . rr_2mtx 1
. 1 . 169 . 1 1 12 PHE CE2 C 7.471 2.733 6.882 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CE2 . . . . . . . . . rr_2mtx 1
. 1 . 170 . 1 1 12 PHE CG C 6.753 4.597 5.509 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CG . . . . . . . . . rr_2mtx 1
. 1 . 171 . 1 1 12 PHE CZ C 6.161 2.268 6.943 . . . 1.0 . . . . . . . . . . . . A . 12 PHE CZ . . . . . . . . . rr_2mtx 1
. 1 . 172 . 1 1 12 PHE H H 4.985 5.384 3.423 . . . 1.0 . . . . . . . . . . . . A . 12 PHE H . . . . . . . . . rr_2mtx 1
. 1 . 173 . 1 1 12 PHE HA H 7.377 6.896 2.856 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HA . . . . . . . . . rr_2mtx 1
. 1 . 174 . 1 1 12 PHE HB2 H 8.099 6.231 5.003 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB2 . . . . . . . . . rr_2mtx 1
. 1 . 175 . 1 1 12 PHE HB3 H 6.439 6.703 5.090 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HB3 . . . . . . . . . rr_2mtx 1
. 1 . 176 . 1 1 12 PHE HD1 H 4.626 4.667 5.119 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD1 . . . . . . . . . rr_2mtx 1
. 1 . 177 . 1 1 12 PHE HD2 H 8.793 4.230 6.121 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HD2 . . . . . . . . . rr_2mtx 1
. 1 . 178 . 1 1 12 PHE HE1 H 4.124 2.610 6.358 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE1 . . . . . . . . . rr_2mtx 1
. 1 . 179 . 1 1 12 PHE HE2 H 8.257 2.201 7.394 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HE2 . . . . . . . . . rr_2mtx 1
. 1 . 180 . 1 1 12 PHE HZ H 5.932 1.368 7.496 . . . 1.0 . . . . . . . . . . . . A . 12 PHE HZ . . . . . . . . . rr_2mtx 1
. 1 . 181 . 1 1 12 PHE N N 5.657 5.712 2.731 . . . 1.0 . . . . . . . . . . . . A . 12 PHE N . . . . . . . . . rr_2mtx 1
. 1 . 182 . 1 1 12 PHE O O 8.154 3.716 2.974 . . . 1.0 . . . . . . . . . . . . A . 12 PHE O . . . . . . . . . rr_2mtx 1
. 1 . 183 . 1 1 13 LYS C C 8.892 2.843 0.298 . . . 1.0 . . . . . . . . . . . . A . 13 LYS C . . . . . . . . . rr_2mtx 1
. 1 . 184 . 1 1 13 LYS CA C 9.398 4.319 0.429 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CA . . . . . . . . . rr_2mtx 1
. 1 . 185 . 1 1 13 LYS CB C 10.860 4.578 0.905 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CB . . . . . . . . . rr_2mtx 1
. 1 . 186 . 1 1 13 LYS CD C 12.146 3.505 -1.108 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CD . . . . . . . . . rr_2mtx 1
. 1 . 187 . 1 1 13 LYS CE C 13.285 2.541 -1.490 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CE . . . . . . . . . rr_2mtx 1
. 1 . 188 . 1 1 13 LYS CG C 12.001 3.652 0.421 . . . 1.0 . . . . . . . . . . . . A . 13 LYS CG . . . . . . . . . rr_2mtx 1
. 1 . 189 . 1 1 13 LYS H H 8.575 6.197 1.159 . . . 1.0 . . . . . . . . . . . . A . 13 LYS H . . . . . . . . . rr_2mtx 1
. 1 . 190 . 1 1 13 LYS HA H 9.353 4.733 -0.597 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HA . . . . . . . . . rr_2mtx 1
. 1 . 191 . 1 1 13 LYS HB2 H 11.134 5.613 0.622 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB2 . . . . . . . . . rr_2mtx 1
. 1 . 192 . 1 1 13 LYS HB3 H 10.870 4.594 2.010 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HB3 . . . . . . . . . rr_2mtx 1
. 1 . 193 . 1 1 13 LYS HD2 H 11.194 3.142 -1.539 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD2 . . . . . . . . . rr_2mtx 1
. 1 . 194 . 1 1 13 LYS HD3 H 12.324 4.500 -1.558 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HD3 . . . . . . . . . rr_2mtx 1
. 1 . 195 . 1 1 13 LYS HE2 H 14.246 2.906 -1.087 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE2 . . . . . . . . . rr_2mtx 1
. 1 . 196 . 1 1 13 LYS HE3 H 13.119 1.547 -1.037 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HE3 . . . . . . . . . rr_2mtx 1
. 1 . 197 . 1 1 13 LYS HG2 H 12.952 4.032 0.838 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG2 . . . . . . . . . rr_2mtx 1
. 1 . 198 . 1 1 13 LYS HG3 H 11.876 2.655 0.880 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HG3 . . . . . . . . . rr_2mtx 1
. 1 . 199 . 1 1 13 LYS HZ2 H 12.543 1.976 -3.331 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ2 . . . . . . . . . rr_2mtx 1
. 1 . 200 . 1 1 13 LYS HZ3 H 14.148 1.713 -3.172 . . . 1.0 . . . . . . . . . . . . A . 13 LYS HZ3 . . . . . . . . . rr_2mtx 1
. 1 . 201 . 1 1 13 LYS N N 8.506 5.183 1.267 . . . 1.0 . . . . . . . . . . . . A . 13 LYS N . . . . . . . . . rr_2mtx 1
. 1 . 202 . 1 1 13 LYS NZ N 13.404 2.383 -2.950 . . . 1.0 . . . . . . . . . . . . A . 13 LYS NZ . . . . . . . . . rr_2mtx 1
. 1 . 203 . 1 1 13 LYS O O 9.507 1.914 0.823 . . . 1.0 . . . . . . . . . . . . A . 13 LYS O . . . . . . . . . rr_2mtx 1
. 1 . 204 . 1 1 14 ALA C C 6.848 0.434 0.667 . . . 1.0 . . . . . . . . . . . . A . 14 ALA C . . . . . . . . . rr_2mtx 1
. 1 . 205 . 1 1 14 ALA CA C 7.077 1.332 -0.604 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CA . . . . . . . . . rr_2mtx 1
. 1 . 206 . 1 1 14 ALA CB C 7.774 0.602 -1.775 . . . 1.0 . . . . . . . . . . . . A . 14 ALA CB . . . . . . . . . rr_2mtx 1
. 1 . 207 . 1 1 14 ALA H H 7.250 3.532 -0.619 . . . 1.0 . . . . . . . . . . . . A . 14 ALA H . . . . . . . . . rr_2mtx 1
. 1 . 208 . 1 1 14 ALA HA H 6.059 1.565 -0.965 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HA . . . . . . . . . rr_2mtx 1
. 1 . 209 . 1 1 14 ALA HB1 H 8.824 0.347 -1.546 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB1 . . . . . . . . . rr_2mtx 1
. 1 . 210 . 1 1 14 ALA HB2 H 7.258 -0.340 -2.035 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB2 . . . . . . . . . rr_2mtx 1
. 1 . 211 . 1 1 14 ALA HB3 H 7.784 1.218 -2.694 . . . 1.0 . . . . . . . . . . . . A . 14 ALA HB3 . . . . . . . . . rr_2mtx 1
. 1 . 212 . 1 1 14 ALA N N 7.732 2.661 -0.378 . . . 1.0 . . . . . . . . . . . . A . 14 ALA N . . . . . . . . . rr_2mtx 1
. 1 . 213 . 1 1 14 ALA O O 6.869 -0.798 0.588 . . . 1.0 . . . . . . . . . . . . A . 14 ALA O . . . . . . . . . rr_2mtx 1
. 1 . 214 . 1 1 15 ASP C C 7.590 -0.302 3.665 . . . 1.0 . . . . . . . . . . . . A . 15 ASP C . . . . . . . . . rr_2mtx 1
. 1 . 215 . 1 1 15 ASP CA C 6.337 0.434 3.145 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CA . . . . . . . . . rr_2mtx 1
. 1 . 216 . 1 1 15 ASP CB C 4.995 -0.352 3.182 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CB . . . . . . . . . rr_2mtx 1
. 1 . 217 . 1 1 15 ASP CG C 4.544 -0.818 4.573 . . . 1.0 . . . . . . . . . . . . A . 15 ASP CG . . . . . . . . . rr_2mtx 1
. 1 . 218 . 1 1 15 ASP H H 6.756 2.088 1.781 . . . 1.0 . . . . . . . . . . . . A . 15 ASP H . . . . . . . . . rr_2mtx 1
. 1 . 219 . 1 1 15 ASP HA H 6.256 1.298 3.805 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HA . . . . . . . . . rr_2mtx 1
. 1 . 220 . 1 1 15 ASP HB2 H 4.185 0.279 2.772 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB2 . . . . . . . . . rr_2mtx 1
. 1 . 221 . 1 1 15 ASP HB3 H 5.045 -1.222 2.500 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HB3 . . . . . . . . . rr_2mtx 1
. 1 . 222 . 1 1 15 ASP HD2 H 4.471 -2.449 5.632 . . . 1.0 . . . . . . . . . . . . A . 15 ASP HD2 . . . . . . . . . rr_2mtx 1
. 1 . 223 . 1 1 15 ASP N N 6.580 1.077 1.828 . . . 1.0 . . . . . . . . . . . . A . 15 ASP N . . . . . . . . . rr_2mtx 1
. 1 . 224 . 1 1 15 ASP O O 7.717 -1.523 3.535 . . . 1.0 . . . . . . . . . . . . A . 15 ASP O . . . . . . . . . rr_2mtx 1
. 1 . 225 . 1 1 15 ASP OD1 O 4.048 -0.068 5.413 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD1 . . . . . . . . . rr_2mtx 1
. 1 . 226 . 1 1 15 ASP OD2 O 4.755 -2.159 4.762 . . . 1.0 . . . . . . . . . . . . A . 15 ASP OD2 . . . . . . . . . rr_2mtx 1
. 1 . 227 . 1 1 16 ARG C C 10.676 -0.817 3.879 . . . 1.0 . . . . . . . . . . . . A . 16 ARG C . . . . . . . . . rr_2mtx 1
. 1 . 228 . 1 1 16 ARG CA C 9.793 0.040 4.854 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CA . . . . . . . . . rr_2mtx 1
. 1 . 229 . 1 1 16 ARG CB C 9.708 -0.517 6.308 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CB . . . . . . . . . rr_2mtx 1
. 1 . 230 . 1 1 16 ARG CD C 7.429 -1.416 7.136 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CD . . . . . . . . . rr_2mtx 1
. 1 . 231 . 1 1 16 ARG CG C 8.841 -1.761 6.617 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CG . . . . . . . . . rr_2mtx 1
. 1 . 232 . 1 1 16 ARG CZ C 5.426 -2.645 8.002 . . . 1.0 . . . . . . . . . . . . A . 16 ARG CZ . . . . . . . . . rr_2mtx 1
. 1 . 233 . 1 1 16 ARG H H 8.271 1.499 4.152 . . . 1.0 . . . . . . . . . . . . A . 16 ARG H . . . . . . . . . rr_2mtx 1
. 1 . 234 . 1 1 16 ARG HA H 10.375 0.974 4.959 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HA . . . . . . . . . rr_2mtx 1
. 1 . 235 . 1 1 16 ARG HB2 H 10.741 -0.750 6.629 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB2 . . . . . . . . . rr_2mtx 1
. 1 . 236 . 1 1 16 ARG HB3 H 9.427 0.304 6.992 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HB3 . . . . . . . . . rr_2mtx 1
. 1 . 237 . 1 1 16 ARG HD2 H 7.513 -0.796 8.049 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD2 . . . . . . . . . rr_2mtx 1
. 1 . 238 . 1 1 16 ARG HD3 H 6.887 -0.800 6.396 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HD3 . . . . . . . . . rr_2mtx 1
. 1 . 239 . 1 1 16 ARG HG2 H 8.794 -2.425 5.734 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG2 . . . . . . . . . rr_2mtx 1
. 1 . 240 . 1 1 16 ARG HG3 H 9.358 -2.357 7.393 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HG3 . . . . . . . . . rr_2mtx 1
. 1 . 241 . 1 1 16 ARG HH11 H 5.255 -0.651 8.227 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH11 . . . . . . . . . rr_2mtx 1
. 1 . 242 . 1 1 16 ARG HH12 H 3.854 -1.682 8.810 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH12 . . . . . . . . . rr_2mtx 1
. 1 . 243 . 1 1 16 ARG HH21 H 5.354 -4.642 7.891 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH21 . . . . . . . . . rr_2mtx 1
. 1 . 244 . 1 1 16 ARG HH22 H 3.908 -3.788 8.631 . . . 1.0 . . . . . . . . . . . . A . 16 ARG HH22 . . . . . . . . . rr_2mtx 1
. 1 . 245 . 1 1 16 ARG N N 8.490 0.502 4.279 . . . 1.0 . . . . . . . . . . . . A . 16 ARG N . . . . . . . . . rr_2mtx 1
. 1 . 246 . 1 1 16 ARG NE N 6.645 -2.639 7.429 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NE . . . . . . . . . rr_2mtx 1
. 1 . 247 . 1 1 16 ARG NH1 N 4.778 -1.545 8.386 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH1 . . . . . . . . . rr_2mtx 1
. 1 . 248 . 1 1 16 ARG NH2 N 4.836 -3.810 8.194 . . . 1.0 . . . . . . . . . . . . A . 16 ARG NH2 . . . . . . . . . rr_2mtx 1
. 1 . 249 . 1 1 16 ARG O O 11.464 -1.666 4.307 . . . 1.0 . . . . . . . . . . . . A . 16 ARG O . . . . . . . . . rr_2mtx 1
. 1 . 250 . 1 1 17 TYR C C 12.800 -0.780 1.432 . . . 1.0 . . . . . . . . . . . . A . 17 TYR C . . . . . . . . . rr_2mtx 1
. 1 . 251 . 1 1 17 TYR CA C 11.310 -1.237 1.503 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CA . . . . . . . . . rr_2mtx 1
. 1 . 252 . 1 1 17 TYR CB C 10.582 -1.099 0.149 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CB . . . . . . . . . rr_2mtx 1
. 1 . 253 . 1 1 17 TYR CD1 C 10.632 -3.344 -1.063 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CD1 . . . . . . . . . rr_2mtx 1
. 1 . 254 . 1 1 17 TYR CD2 C 11.960 -1.536 -1.956 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CD2 . . . . . . . . . rr_2mtx 1
. 1 . 255 . 1 1 17 TYR CE1 C 11.080 -4.177 -2.085 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CE1 . . . . . . . . . rr_2mtx 1
. 1 . 256 . 1 1 17 TYR CE2 C 12.410 -2.371 -2.976 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CE2 . . . . . . . . . rr_2mtx 1
. 1 . 257 . 1 1 17 TYR CG C 11.071 -2.017 -0.989 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CG . . . . . . . . . rr_2mtx 1
. 1 . 258 . 1 1 17 TYR CZ C 11.969 -3.691 -3.042 . . . 1.0 . . . . . . . . . . . . A . 17 TYR CZ . . . . . . . . . rr_2mtx 1
. 1 . 259 . 1 1 17 TYR H H 9.653 -0.016 2.420 . . . 1.0 . . . . . . . . . . . . A . 17 TYR H . . . . . . . . . rr_2mtx 1
. 1 . 260 . 1 1 17 TYR HA H 11.239 -2.303 1.728 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HA . . . . . . . . . rr_2mtx 1
. 1 . 261 . 1 1 17 TYR HB2 H 9.495 -1.259 0.282 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HB2 . . . . . . . . . rr_2mtx 1
. 1 . 262 . 1 1 17 TYR HB3 H 10.675 -0.053 -0.152 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HB3 . . . . . . . . . rr_2mtx 1
. 1 . 263 . 1 1 17 TYR HD1 H 9.945 -3.736 -0.325 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HD1 . . . . . . . . . rr_2mtx 1
. 1 . 264 . 1 1 17 TYR HD2 H 12.316 -0.516 -1.917 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HD2 . . . . . . . . . rr_2mtx 1
. 1 . 265 . 1 1 17 TYR HE1 H 10.736 -5.200 -2.133 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HE1 . . . . . . . . . rr_2mtx 1
. 1 . 266 . 1 1 17 TYR HE2 H 13.102 -1.991 -3.715 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HE2 . . . . . . . . . rr_2mtx 1
. 1 . 267 . 1 1 17 TYR HH H 12.012 -5.379 -3.942 . . . 1.0 . . . . . . . . . . . . A . 17 TYR HH . . . . . . . . . rr_2mtx 1
. 1 . 268 . 1 1 17 TYR N N 10.553 -0.525 2.566 . . . 1.0 . . . . . . . . . . . . A . 17 TYR N . . . . . . . . . rr_2mtx 1
. 1 . 269 . 1 1 17 TYR O O 13.096 0.419 1.396 . . . 1.0 . . . . . . . . . . . . A . 17 TYR O . . . . . . . . . rr_2mtx 1
. 1 . 270 . 1 1 17 TYR OH O 12.411 -4.512 -4.048 . . . 1.0 . . . . . . . . . . . . A . 17 TYR OH . . . . . . . . . rr_2mtx 1
. 1 . 271 . 1 1 18 LYS C C 15.598 -1.147 -0.174 . . . 1.0 . . . . . . . . . . . . A . 18 LYS C . . . . . . . . . rr_2mtx 1
. 1 . 272 . 1 1 18 LYS CA C 15.178 -1.514 1.283 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CA . . . . . . . . . rr_2mtx 1
. 1 . 273 . 1 1 18 LYS CB C 15.922 -2.765 1.825 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CB . . . . . . . . . rr_2mtx 1
. 1 . 274 . 1 1 18 LYS CD C 18.120 -3.820 2.645 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CD . . . . . . . . . rr_2mtx 1
. 1 . 275 . 1 1 18 LYS CE C 19.645 -3.658 2.776 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CE . . . . . . . . . rr_2mtx 1
. 1 . 276 . 1 1 18 LYS CG C 17.445 -2.586 2.015 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CG . . . . . . . . . rr_2mtx 1
. 1 . 277 . 1 1 18 LYS H H 13.363 -2.705 1.531 . . . 1.0 . . . . . . . . . . . . A . 18 LYS H . . . . . . . . . rr_2mtx 1
. 1 . 278 . 1 1 18 LYS HA H 15.400 -0.687 1.979 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HA . . . . . . . . . rr_2mtx 1
. 1 . 279 . 1 1 18 LYS HB2 H 15.491 -3.049 2.806 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HB2 . . . . . . . . . rr_2mtx 1
. 1 . 280 . 1 1 18 LYS HB3 H 15.734 -3.633 1.163 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HB3 . . . . . . . . . rr_2mtx 1
. 1 . 281 . 1 1 18 LYS HD2 H 17.676 -4.014 3.640 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HD2 . . . . . . . . . rr_2mtx 1
. 1 . 282 . 1 1 18 LYS HD3 H 17.891 -4.714 2.033 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HD3 . . . . . . . . . rr_2mtx 1
. 1 . 283 . 1 1 18 LYS HE2 H 20.100 -3.463 1.787 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HE2 . . . . . . . . . rr_2mtx 1
. 1 . 284 . 1 1 18 LYS HE3 H 19.888 -2.783 3.408 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HE3 . . . . . . . . . rr_2mtx 1
. 1 . 285 . 1 1 18 LYS HG2 H 17.916 -2.368 1.037 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HG2 . . . . . . . . . rr_2mtx 1
. 1 . 286 . 1 1 18 LYS HG3 H 17.638 -1.698 2.647 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HG3 . . . . . . . . . rr_2mtx 1
. 1 . 287 . 1 1 18 LYS HZ2 H 20.113 -5.668 2.744 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ2 . . . . . . . . . rr_2mtx 1
. 1 . 288 . 1 1 18 LYS HZ3 H 21.284 -4.741 3.409 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ3 . . . . . . . . . rr_2mtx 1
. 1 . 289 . 1 1 18 LYS N N 13.720 -1.762 1.376 . . . 1.0 . . . . . . . . . . . . A . 18 LYS N . . . . . . . . . rr_2mtx 1
. 1 . 290 . 1 1 18 LYS NZ N 20.266 -4.860 3.358 . . . 1.0 . . . . . . . . . . . . A . 18 LYS NZ . . . . . . . . . rr_2mtx 1
. 1 . 291 . 1 1 18 LYS O O 15.269 -1.859 -1.129 . . . 1.0 . . . . . . . . . . . . A . 18 LYS O . . . . . . . . . rr_2mtx 1
. 1 . 292 . 1 1 19 SER C C 18.020 -0.426 -2.178 . . . 1.0 . . . . . . . . . . . . A . 19 SER C . . . . . . . . . rr_2mtx 1
. 1 . 293 . 1 1 19 SER CA C 16.855 0.447 -1.626 . . . 1.0 . . . . . . . . . . . . A . 19 SER CA . . . . . . . . . rr_2mtx 1
. 1 . 294 . 1 1 19 SER CB C 17.274 1.933 -1.511 . . . 1.0 . . . . . . . . . . . . A . 19 SER CB . . . . . . . . . rr_2mtx 1
. 1 . 295 . 1 1 19 SER H H 16.555 0.456 0.562 . . . 1.0 . . . . . . . . . . . . A . 19 SER H . . . . . . . . . rr_2mtx 1
. 1 . 296 . 1 1 19 SER HA H 16.003 0.427 -2.337 . . . 1.0 . . . . . . . . . . . . A . 19 SER HA . . . . . . . . . rr_2mtx 1
. 1 . 297 . 1 1 19 SER HB2 H 17.565 2.324 -2.503 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB2 . . . . . . . . . rr_2mtx 1
. 1 . 298 . 1 1 19 SER HB3 H 16.418 2.555 -1.192 . . . 1.0 . . . . . . . . . . . . A . 19 SER HB3 . . . . . . . . . rr_2mtx 1
. 1 . 299 . 1 1 19 SER HG H 18.036 1.829 0.255 . . . 1.0 . . . . . . . . . . . . A . 19 SER HG . . . . . . . . . rr_2mtx 1
. 1 . 300 . 1 1 19 SER N N 16.350 -0.038 -0.313 . . . 1.0 . . . . . . . . . . . . A . 19 SER N . . . . . . . . . rr_2mtx 1
. 1 . 301 . 1 1 19 SER O O 18.971 -0.738 -1.452 . . . 1.0 . . . . . . . . . . . . A . 19 SER O . . . . . . . . . rr_2mtx 1
. 1 . 302 . 1 1 19 SER OG O 18.353 2.130 -0.600 . . . 1.0 . . . . . . . . . . . . A . 19 SER OG . . . . . . . . . rr_2mtx 1
. 1 . 303 . 1 1 20 HIS C C 19.194 -1.055 -5.560 . . . 1.0 . . . . . . . . . . . . A . 20 HIS C . . . . . . . . . rr_2mtx 1
. 1 . 304 . 1 1 20 HIS CA C 18.952 -1.643 -4.145 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CA . . . . . . . . . rr_2mtx 1
. 1 . 305 . 1 1 20 HIS CB C 18.523 -3.136 -4.226 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CB . . . . . . . . . rr_2mtx 1
. 1 . 306 . 1 1 20 HIS CD2 C 17.147 -4.293 -2.337 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CD2 . . . . . . . . . rr_2mtx 1
. 1 . 307 . 1 1 20 HIS CE1 C 18.706 -4.707 -0.989 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CE1 . . . . . . . . . rr_2mtx 1
. 1 . 308 . 1 1 20 HIS CG C 18.369 -3.849 -2.877 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CG . . . . . . . . . rr_2mtx 1
. 1 . 309 . 1 1 20 HIS H H 17.083 -0.477 -3.954 . . . 1.0 . . . . . . . . . . . . A . 20 HIS H . . . . . . . . . rr_2mtx 1
. 1 . 310 . 1 1 20 HIS HA H 19.906 -1.611 -3.578 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HA . . . . . . . . . rr_2mtx 1
. 1 . 311 . 1 1 20 HIS HB2 H 17.583 -3.228 -4.806 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB2 . . . . . . . . . rr_2mtx 1
. 1 . 312 . 1 1 20 HIS HB3 H 19.269 -3.697 -4.820 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB3 . . . . . . . . . rr_2mtx 1
. 1 . 313 . 1 1 20 HIS HD2 H 16.181 -4.190 -2.810 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD2 . . . . . . . . . rr_2mtx 1
. 1 . 314 . 1 1 20 HIS HE1 H 19.220 -5.060 -0.108 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE1 . . . . . . . . . rr_2mtx 1
. 1 . 315 . 1 1 20 HIS HE2 H 16.679 -5.273 -0.440 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE2 . . . . . . . . . rr_2mtx 1
. 1 . 316 . 1 1 20 HIS N N 17.925 -0.805 -3.466 . . . 1.0 . . . . . . . . . . . . A . 20 HIS N . . . . . . . . . rr_2mtx 1
. 1 . 317 . 1 1 20 HIS ND1 N 19.420 -4.117 -2.004 . . . 1.0 . . . . . . . . . . . . A . 20 HIS ND1 . . . . . . . . . rr_2mtx 1
. 1 . 318 . 1 1 20 HIS NE2 N 17.351 -4.862 -1.097 . . . 1.0 . . . . . . . . . . . . A . 20 HIS NE2 . . . . . . . . . rr_2mtx 1
. 1 . 319 . 1 1 20 HIS O O 18.323 -1.065 -6.432 . . . 1.0 . . . . . . . . . . . . A . 20 HIS O . . . . . . . . . rr_2mtx 1
. 1 . 320 . 1 1 21 NH2 HN1 H 20.515 -0.151 -6.772 . . . 1.0 . . . . . . . . . . . . A . 21 NH2 HN1 . . . . . . . . . rr_2mtx 1
. 1 . 321 . 1 1 21 NH2 HN2 H 21.075 -0.548 -5.070 . . . 1.0 . . . . . . . . . . . . A . 21 NH2 HN2 . . . . . . . . . rr_2mtx 1
. 1 . 322 . 1 1 21 NH2 N N 20.383 -0.530 -5.828 . . . 1.0 . . . . . . . . . . . . A . 21 NH2 N . . . . . . . . . rr_2mtx 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_2mtx
_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 2mtx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2mtx 1
1 2mtx.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 rr_2mtx 1
1 2mtx.mr . . DISCOVER 3 stereochemistry chirality "Not applicable" 0 rr_2mtx 1
1 2mtx.mr . . DISCOVER 4 distance "hydrogen bond" simple 2 rr_2mtx 1
1 2mtx.mr . . DISCOVER 5 distance NOE simple 100 rr_2mtx 1
1 2mtx.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 19 rr_2mtx 1
1 2mtx.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2mtx 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_2mtx
_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: '2mtx'" . . . . distance "general distance" . 100 rr_2mtx 1
2 "From CCPN project: '2mtx'" . . . . distance "hydrogen bond" . 2 rr_2mtx 1
3 "From CCPN project: '2mtx'" . . . . "dihedral angle" "Not applicable" . 19 rr_2mtx 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 2mtx.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_2mtx 1
1 2mtx.mr . . DISCOVER 2 stereochemistry prochirality "Not applicable" 0 rr_2mtx 1
1 2mtx.mr . . DISCOVER 3 stereochemistry chirality "Not applicable" 0 rr_2mtx 1
1 2mtx.mr . . DISCOVER 4 distance "hydrogen bond" simple 2 rr_2mtx 1
1 2mtx.mr . . DISCOVER 5 distance NOE simple 100 rr_2mtx 1
1 2mtx.mr . . DISCOVER 6 "dihedral angle" "Not applicable" "Not applicable" 19 rr_2mtx 1
1 2mtx.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_2mtx 1
stop_
save_
save_Discover_distance_constraints_5
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_5
_Gen_dist_constraint_list.Entry_ID rr_2mtx
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 5
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_2mtx 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 9 9 THR H H . . . 1 1 8 8 PRO HA H . . . . . 2.8 1.8 2.8 . . . . . A . 9 THR H . . A . 8 PRO HA . 1 . 9 THR HN . . . 1 . 8 PRO HA . . rr_2mtx 1
2 1 . . 1 1 13 13 LYS H H . . . 1 1 12 12 PHE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 13 LYS H . . A . 12 PHE HA . 1 . 13 LYS HN . . . 1 . 12 PHE HA . . rr_2mtx 1
3 1 . . 1 1 12 12 PHE HA H . . . 1 1 12 12 PHE H H . . . . . 2.8 1.8 2.8 . . . . . A . 12 PHE HA . . A . 12 PHE H . 1 . 12 PHE HA . . . 1 . 12 PHE HN . . rr_2mtx 1
4 1 . . 1 1 16 16 ARG H H . . . 1 1 15 15 ASP HA H . . . . . 2.8 1.8 2.8 . . . . . A . 16 ARG H . . A . 15 ASP HA . 1 . 16 ARG HN . . . 1 . 15 ASP HA . . rr_2mtx 1
5 1 . . 1 1 17 17 TYR H H . . . 1 1 17 17 TYR HA H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TYR H . . A . 17 TYR HA . 1 . 17 TYR HN . . . 1 . 17 TYR HA . . rr_2mtx 1
6 1 . . 1 1 17 17 TYR HA H . . . 1 1 18 18 LYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TYR HA . . A . 18 LYS H . 1 . 17 TYR HA . . . 1 . 18 LYS HN . . rr_2mtx 1
7 1 . . 1 1 15 15 ASP HA H . . . 1 1 17 17 TYR H H . . . . . 3.5 2.8 3.5 . . . . . A . 15 ASP HA . . A . 17 TYR H . 1 . 15 ASP HA . . . 1 . 17 TYR HN . . rr_2mtx 1
8 1 . . 1 1 7 7 LEU H H . . . 1 1 6 6 PHE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 7 LEU H . . A . 6 PHE HA . 1 . 7 LEU HN . . . 1 . 6 PHE HA . . rr_2mtx 1
9 1 . . 1 1 6 6 PHE HA H . . . 1 1 6 6 PHE H H . . . . . 2.8 1.8 2.8 . . . . . A . 6 PHE HA . . A . 6 PHE H . 1 . 6 PHE HA . . . 1 . 6 PHE HN . . rr_2mtx 1
10 1 . . 1 1 15 15 ASP HA H . . . 1 1 15 15 ASP H H . . . . . 2.8 1.8 2.8 . . . . . A . 15 ASP HA . . A . 15 ASP H . 1 . 15 ASP HA . . . 1 . 15 ASP HN . . rr_2mtx 1
11 1 . . 1 1 2 2 ILE H H . . . 1 1 1 1 MET HA H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE H . . A . 1 MET HA . 1 . 2 ILE HN . . . 1 . 1 MET HA . . rr_2mtx 1
12 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HA H . . . . . 3.5 2.8 3.5 . . . . . A . 2 ILE H . . A . 2 ILE HA . 1 . 2 ILE HN . . . 1 . 2 ILE HA . . rr_2mtx 1
13 1 . . 1 1 2 2 ILE HA H . . . 1 1 3 3 LYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE HA . . A . 3 LYS H . 1 . 2 ILE HA . . . 1 . 3 LYS HN . . rr_2mtx 1
14 1 . . 1 1 20 20 HIS H H . . . 1 1 19 19 SER HA H . . . . . 2.8 1.8 2.8 . . . . . A . 20 HIS H . . A . 19 SER HA . 1 . 20 HIS HN . . . 1 . 19 SER HA . . rr_2mtx 1
15 1 . . 1 1 10 10 GLY H H . . . 1 1 9 9 THR HA H . . . . . 2.8 1.8 2.8 . . . . . A . 10 GLY H . . A . 9 THR HA . 1 . 10 GLY HN . . . 1 . 9 THR HA . . rr_2mtx 1
16 1 . . 1 1 15 15 ASP H H . . . 1 1 14 14 ALA HA H . . . . . 3.5 2.8 3.5 . . . . . A . 15 ASP H . . A . 14 ALA HA . 1 . 15 ASP HN . . . 1 . 14 ALA HA . . rr_2mtx 1
17 1 . . 1 1 5 5 ALA H H . . . 1 1 5 5 ALA HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ALA H . . A . 5 ALA HA . 1 . 5 ALA HN . . . 1 . 5 ALA HA . . rr_2mtx 1
18 1 . . 1 1 5 5 ALA H H . . . 1 1 4 4 SER HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ALA H . . A . 4 SER HA . 1 . 5 ALA HN . . . 1 . 4 SER HA . . rr_2mtx 1
19 1 . . 1 1 19 19 SER H H . . . 1 1 18 18 LYS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 19 SER H . . A . 18 LYS HA . 1 . 19 SER HN . . . 1 . 18 LYS HA . . rr_2mtx 1
20 1 . . 1 1 4 4 SER H H . . . 1 1 3 3 LYS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 4 SER H . . A . 3 LYS HA . 1 . 4 SER HN . . . 1 . 3 LYS HA . . rr_2mtx 1
21 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 18 LYS H . . A . 18 LYS HA . 1 . 18 LYS HN . . . 1 . 18 LYS HA . . rr_2mtx 1
22 1 . . 1 1 17 17 TYR H H . . . 1 1 16 16 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TYR H . . A . 16 ARG HA . 1 . 17 TYR HN . . . 1 . 16 ARG HA . . rr_2mtx 1
23 1 . . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 16 ARG H . . A . 16 ARG HA . 1 . 16 ARG HN . . . 1 . 16 ARG HA . . rr_2mtx 1
24 1 . . 1 1 11 11 ALA H H . . . 1 1 11 11 ALA HA H . . . . . 2.8 1.8 2.8 . . . . . A . 11 ALA H . . A . 11 ALA HA . 1 . 11 ALA HN . . . 1 . 11 ALA HA . . rr_2mtx 1
25 1 . . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 13 LYS H . . A . 13 LYS HA . 1 . 13 LYS HN . . . 1 . 13 LYS HA . . rr_2mtx 1
26 1 . . 1 1 9 9 THR H H . . . 1 1 9 9 THR HA H . . . . . 2.8 1.8 2.8 . . . . . A . 9 THR H . . A . 9 THR HA . 1 . 9 THR HN . . . 1 . 9 THR HA . . rr_2mtx 1
27 1 . . 1 1 6 6 PHE H H . . . 1 1 5 5 ALA HA H . . . . . 2.8 1.8 2.8 . . . . . A . 6 PHE H . . A . 5 ALA HA . 1 . 6 PHE HN . . . 1 . 5 ALA HA . . rr_2mtx 1
28 1 . . 1 1 13 13 LYS HA H . . . 1 1 14 14 ALA H H . . . . . 2.8 1.8 2.8 . . . . . A . 13 LYS HA . . A . 14 ALA H . 1 . 13 LYS HA . . . 1 . 14 ALA HN . . rr_2mtx 1
29 1 . . 1 1 20 20 HIS H H . . . 1 1 20 20 HIS HA H . . . . . 3.5 2.8 3.5 . . . . . A . 20 HIS H . . A . 20 HIS HA . 1 . 20 HIS HN . . . 1 . 20 HIS HA . . rr_2mtx 1
30 1 OR . 1 1 10 10 GLY H H . . . 1 1 10 10 GLY HA2 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 GLY H . . A . 10 GLY HA2 . 1 . 10 GLY HN . . . 1 . 10 GLY HA* . . rr_2mtx 1
30 2 OR . 1 1 10 10 GLY H H . . . 1 1 10 10 GLY HA3 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 GLY H . . A . 10 GLY HA3 . 1 . 10 GLY HN . . . 1 . 10 GLY HA* . . rr_2mtx 1
31 1 OR . 1 1 11 11 ALA H H . . . 1 1 10 10 GLY HA2 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ALA H . . A . 10 GLY HA2 . 1 . 11 ALA HN . . . 1 . 10 GLY HA* . . rr_2mtx 1
31 2 OR . 1 1 11 11 ALA H H . . . 1 1 10 10 GLY HA3 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ALA H . . A . 10 GLY HA3 . 1 . 11 ALA HN . . . 1 . 10 GLY HA* . . rr_2mtx 1
32 1 OR . 1 1 15 15 ASP H H . . . 1 1 15 15 ASP HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 ASP H . . A . 15 ASP HB2 . 1 . 15 ASP HN . . . 1 . 15 ASP HB* . . rr_2mtx 1
32 2 OR . 1 1 15 15 ASP H H . . . 1 1 15 15 ASP HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 ASP H . . A . 15 ASP HB3 . 1 . 15 ASP HN . . . 1 . 15 ASP HB* . . rr_2mtx 1
33 1 OR . 1 1 16 16 ARG H H . . . 1 1 15 15 ASP HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 ARG H . . A . 15 ASP HB2 . 1 . 16 ARG HN . . . 1 . 15 ASP HB* . . rr_2mtx 1
33 2 OR . 1 1 16 16 ARG H H . . . 1 1 15 15 ASP HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 ARG H . . A . 15 ASP HB3 . 1 . 16 ARG HN . . . 1 . 15 ASP HB* . . rr_2mtx 1
34 1 . . 1 1 6 6 PHE H H . . . 1 1 6 6 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 6 PHE H . . A . 6 PHE HB3 . 1 . 6 PHE HN . . . 1 . 6 PHE HBS . . rr_2mtx 1
35 1 . . 1 1 17 17 TYR H H . . . 1 1 17 17 TYR HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TYR H . . A . 17 TYR HB3 . 1 . 17 TYR HN . . . 1 . 17 TYR HBS . . rr_2mtx 1
36 1 . . 1 1 17 17 TYR H H . . . 1 1 17 17 TYR HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TYR H . . A . 17 TYR HB2 . 1 . 17 TYR HN . . . 1 . 17 TYR HBR . . rr_2mtx 1
37 1 OR . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 ARG H . . A . 16 ARG HD2 . 1 . 16 ARG HN . . . 1 . 16 ARG HD* . . rr_2mtx 1
37 2 OR . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HD3 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 ARG H . . A . 16 ARG HD3 . 1 . 16 ARG HN . . . 1 . 16 ARG HD* . . rr_2mtx 1
38 1 . . 1 1 6 6 PHE H H . . . 1 1 6 6 PHE HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 6 PHE H . . A . 6 PHE HB2 . 1 . 6 PHE HN . . . 1 . 6 PHE HBR . . rr_2mtx 1
39 1 . . 1 1 12 12 PHE H H . . . 1 1 12 12 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 PHE H . . A . 12 PHE HB3 . 1 . 12 PHE HN . . . 1 . 12 PHE HBS . . rr_2mtx 1
40 1 . . 1 1 6 6 PHE HB3 H . . . 1 1 6 6 PHE QD H . . . . . 2.8 1.8 4.8 . . . . . A . 6 PHE HB3 . . A . 6 PHE QD . 1 . 6 PHE HBS . . . 1 . 6 PHE HD* . . rr_2mtx 1
41 1 . . 1 1 6 6 PHE HB2 H . . . 1 1 6 6 PHE QD H . . . . . 2.8 1.8 4.8 . . . . . A . 6 PHE HB2 . . A . 6 PHE QD . 1 . 6 PHE HBR . . . 1 . 6 PHE HD* . . rr_2mtx 1
42 1 . . 1 1 17 17 TYR HB3 H . . . 1 1 17 17 TYR QD H . . . . . 2.8 1.8 4.8 . . . . . A . 17 TYR HB3 . . A . 17 TYR QD . 1 . 17 TYR HBS . . . 1 . 17 TYR HD* . . rr_2mtx 1
43 1 . . 1 1 17 17 TYR HB2 H . . . 1 1 17 17 TYR QD H . . . . . 2.8 1.8 4.8 . . . . . A . 17 TYR HB2 . . A . 17 TYR QD . 1 . 17 TYR HBR . . . 1 . 17 TYR HD* . . rr_2mtx 1
44 1 . . 1 1 12 12 PHE H H . . . 1 1 12 12 PHE HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 12 PHE H . . A . 12 PHE HB2 . 1 . 12 PHE HN . . . 1 . 12 PHE HBR . . rr_2mtx 1
45 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LYS H . . A . 3 LYS HB3 . 1 . 3 LYS HN . . . 1 . 3 LYS HBS . . rr_2mtx 1
46 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LYS H . . A . 3 LYS HB2 . 1 . 3 LYS HN . . . 1 . 3 LYS HBR . . rr_2mtx 1
47 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HB H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE H . . A . 2 ILE HB . 1 . 2 ILE HN . . . 1 . 2 ILE HB . . rr_2mtx 1
48 1 . . 1 1 5 5 ALA H H . . . 1 1 5 5 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 5 ALA H . . A . 5 ALA MB . 1 . 5 ALA HN . . . 1 . 5 ALA HB* . . rr_2mtx 1
49 1 . . 1 1 11 11 ALA H H . . . 1 1 11 11 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ALA H . . A . 11 ALA MB . 1 . 11 ALA HN . . . 1 . 11 ALA HB* . . rr_2mtx 1
50 1 . . 1 1 14 14 ALA H H . . . 1 1 14 14 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 14 ALA H . . A . 14 ALA MB . 1 . 14 ALA HN . . . 1 . 14 ALA HB* . . rr_2mtx 1
51 1 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HG2 H . . . . . 5.0 3.5 6.0 . . . . . A . 13 LYS H . . A . 13 LYS HG2 . 1 . 13 LYS HN . . . 1 . 13 LYS HG* . . rr_2mtx 1
51 2 OR . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HG3 H . . . . . 5.0 3.5 6.0 . . . . . A . 13 LYS H . . A . 13 LYS HG3 . 1 . 13 LYS HN . . . 1 . 13 LYS HG* . . rr_2mtx 1
52 1 OR . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HG2 H . . . . . 5.0 3.5 6.0 . . . . . A . 18 LYS H . . A . 18 LYS HG2 . 1 . 18 LYS HN . . . 1 . 18 LYS HG* . . rr_2mtx 1
52 2 OR . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HG3 H . . . . . 5.0 3.5 6.0 . . . . . A . 18 LYS H . . A . 18 LYS HG3 . 1 . 18 LYS HN . . . 1 . 18 LYS HG* . . rr_2mtx 1
53 1 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LEU H . . A . 7 LEU HB2 . 1 . 7 LEU HN . . . 1 . 7 LEU HB* . . rr_2mtx 1
53 2 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LEU H . . A . 7 LEU HB3 . 1 . 7 LEU HN . . . 1 . 7 LEU HB* . . rr_2mtx 1
54 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 18 LYS H . . A . 18 LYS HB3 . 1 . 18 LYS HN . . . 1 . 18 LYS HBS . . rr_2mtx 1
55 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 18 LYS H . . A . 18 LYS HB2 . 1 . 18 LYS HN . . . 1 . 18 LYS HBR . . rr_2mtx 1
56 1 . . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 13 LYS H . . A . 13 LYS HB2 . 1 . 13 LYS HN . . . 1 . 13 LYS HBR . . rr_2mtx 1
57 1 . . 1 1 13 13 LYS H H . . . 1 1 13 13 LYS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 13 LYS H . . A . 13 LYS HB3 . 1 . 13 LYS HN . . . 1 . 13 LYS HBS . . rr_2mtx 1
58 1 OR . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 16 ARG H . . A . 16 ARG HB2 . 1 . 16 ARG HN . . . 1 . 16 ARG HB* . . rr_2mtx 1
58 2 OR . 1 1 16 16 ARG H H . . . 1 1 16 16 ARG HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 16 ARG H . . A . 16 ARG HB3 . 1 . 16 ARG HN . . . 1 . 16 ARG HB* . . rr_2mtx 1
59 1 OR . 1 1 9 9 THR H H . . . 1 1 9 9 THR MG H . . . . . 2.8 1.8 2.8 . . . . . A . 9 THR H . . A . 9 THR MG . 1 . 9 THR HN . . . 1 . 9 THR HG* . . rr_2mtx 1
59 2 OR . 1 1 9 9 THR H H . . . 1 1 9 9 THR HG1 H . . . . . 2.8 1.8 2.8 . . . . . A . 9 THR H . . A . 9 THR HG1 . 1 . 9 THR HN . . . 1 . 9 THR HG* . . rr_2mtx 1
60 1 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU MD1 H . . . . . 2.8 1.8 5.2 . . . . . A . 7 LEU H . . A . 7 LEU MD1 . 1 . 7 LEU HN . . . 1 . 7 LEU HD* . . rr_2mtx 1
60 2 OR . 1 1 7 7 LEU H H . . . 1 1 7 7 LEU MD2 H . . . . . 2.8 1.8 5.2 . . . . . A . 7 LEU H . . A . 7 LEU MD2 . 1 . 7 LEU HN . . . 1 . 7 LEU HD* . . rr_2mtx 1
61 1 . . 1 1 12 12 PHE HA H . . . 1 1 12 12 PHE QD H . . . . . 2.8 1.8 4.8 . . . . . A . 12 PHE HA . . A . 12 PHE QD . 1 . 12 PHE HA . . . 1 . 12 PHE HD* . . rr_2mtx 1
62 1 . . 1 1 6 6 PHE HA H . . . 1 1 6 6 PHE QD H . . . . . 3.5 2.8 5.5 . . . . . A . 6 PHE HA . . A . 6 PHE QD . 1 . 6 PHE HA . . . 1 . 6 PHE HD* . . rr_2mtx 1
63 1 . . 1 1 17 17 TYR HA H . . . 1 1 17 17 TYR QD H . . . . . 2.8 1.8 4.8 . . . . . A . 17 TYR HA . . A . 17 TYR QD . 1 . 17 TYR HA . . . 1 . 17 TYR HD* . . rr_2mtx 1
64 1 . . 1 1 12 12 PHE HA H . . . 1 1 12 12 PHE HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 PHE HA . . A . 12 PHE HB2 . 1 . 12 PHE HA . . . 1 . 12 PHE HBR . . rr_2mtx 1
65 1 . . 1 1 6 6 PHE HA H . . . 1 1 6 6 PHE HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 6 PHE HA . . A . 6 PHE HB2 . 1 . 6 PHE HA . . . 1 . 6 PHE HBR . . rr_2mtx 1
66 1 . . 1 1 6 6 PHE HA H . . . 1 1 6 6 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 6 PHE HA . . A . 6 PHE HB3 . 1 . 6 PHE HA . . . 1 . 6 PHE HBS . . rr_2mtx 1
67 1 . . 1 1 17 17 TYR HA H . . . 1 1 17 17 TYR HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TYR HA . . A . 17 TYR HB3 . 1 . 17 TYR HA . . . 1 . 17 TYR HBS . . rr_2mtx 1
68 1 OR . 1 1 15 15 ASP HA H . . . 1 1 15 15 ASP HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 ASP HA . . A . 15 ASP HB2 . 1 . 15 ASP HA . . . 1 . 15 ASP HB* . . rr_2mtx 1
68 2 OR . 1 1 15 15 ASP HA H . . . 1 1 15 15 ASP HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 15 ASP HA . . A . 15 ASP HB3 . 1 . 15 ASP HA . . . 1 . 15 ASP HB* . . rr_2mtx 1
69 1 . . 1 1 12 12 PHE HA H . . . 1 1 12 12 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 PHE HA . . A . 12 PHE HB3 . 1 . 12 PHE HA . . . 1 . 12 PHE HBS . . rr_2mtx 1
70 1 . . 1 1 17 17 TYR HA H . . . 1 1 17 17 TYR HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 17 TYR HA . . A . 17 TYR HB2 . 1 . 17 TYR HA . . . 1 . 17 TYR HBR . . rr_2mtx 1
71 1 . . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 8 PRO HA . . A . 8 PRO HB2 . 1 . 8 PRO HA . . . 1 . 8 PRO HBR . . rr_2mtx 1
72 1 OR . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HA . . A . 8 PRO HG2 . 1 . 8 PRO HA . . . 1 . 8 PRO HG* . . rr_2mtx 1
72 2 OR . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HA . . A . 8 PRO HG3 . 1 . 8 PRO HA . . . 1 . 8 PRO HG* . . rr_2mtx 1
73 1 OR . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LEU HA . . A . 7 LEU HB2 . 1 . 7 LEU HA . . . 1 . 7 LEU HB* . . rr_2mtx 1
73 2 OR . 1 1 7 7 LEU HB3 H . . . 1 1 7 7 LEU HA H . . . . . 2.8 1.8 3.8 . . . . . A . 7 LEU HB3 . . A . 7 LEU HA . 1 . 7 LEU HB* . . . 1 . 7 LEU HA . . rr_2mtx 1
74 1 . . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU HG H . . . . . 2.8 1.8 2.8 . . . . . A . 7 LEU HA . . A . 7 LEU HG . 1 . 7 LEU HA . . . 1 . 7 LEU HG . . rr_2mtx 1
75 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 3 LYS HA . . A . 3 LYS HB2 . 1 . 3 LYS HA . . . 1 . 3 LYS HBR . . rr_2mtx 1
76 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 3 LYS HA . . A . 3 LYS HB3 . 1 . 3 LYS HA . . . 1 . 3 LYS HBS . . rr_2mtx 1
77 1 . . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 18 LYS HA . . A . 18 LYS HB2 . 1 . 18 LYS HA . . . 1 . 18 LYS HBR . . rr_2mtx 1
78 1 . . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 18 LYS HA . . A . 18 LYS HB3 . 1 . 18 LYS HA . . . 1 . 18 LYS HBS . . rr_2mtx 1
79 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE HB H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE HA . . A . 2 ILE HB . 1 . 2 ILE HA . . . 1 . 2 ILE HB . . rr_2mtx 1
80 1 . . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 13 LYS HA . . A . 13 LYS HB2 . 1 . 13 LYS HA . . . 1 . 13 LYS HBR . . rr_2mtx 1
81 1 . . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 13 LYS HA . . A . 13 LYS HB3 . 1 . 13 LYS HA . . . 1 . 13 LYS HBS . . rr_2mtx 1
82 1 OR . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 LYS HA . . A . 13 LYS HD2 . 1 . 13 LYS HA . . . 1 . 13 LYS HD* . . rr_2mtx 1
82 2 OR . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 LYS HA . . A . 13 LYS HD3 . 1 . 13 LYS HA . . . 1 . 13 LYS HD* . . rr_2mtx 1
83 1 . . 1 1 8 8 PRO HA H . . . 1 1 8 8 PRO HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 8 PRO HA . . A . 8 PRO HB3 . 1 . 8 PRO HA . . . 1 . 8 PRO HBS . . rr_2mtx 1
84 1 OR . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 LYS HA . . A . 13 LYS HG2 . 1 . 13 LYS HA . . . 1 . 13 LYS HG* . . rr_2mtx 1
84 2 OR . 1 1 13 13 LYS HA H . . . 1 1 13 13 LYS HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 LYS HA . . A . 13 LYS HG3 . 1 . 13 LYS HA . . . 1 . 13 LYS HG* . . rr_2mtx 1
85 1 . . 1 1 14 14 ALA HA H . . . 1 1 14 14 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 14 ALA HA . . A . 14 ALA MB . 1 . 14 ALA HA . . . 1 . 14 ALA HB* . . rr_2mtx 1
86 1 . . 1 1 11 11 ALA HA H . . . 1 1 11 11 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 11 ALA HA . . A . 11 ALA MB . 1 . 11 ALA HA . . . 1 . 11 ALA HB* . . rr_2mtx 1
87 1 . . 1 1 5 5 ALA HA H . . . 1 1 5 5 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 5 ALA HA . . A . 5 ALA MB . 1 . 5 ALA HA . . . 1 . 5 ALA HB* . . rr_2mtx 1
88 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE MD H . . . . . 2.8 1.8 3.8 . . . . . A . 2 ILE HA . . A . 2 ILE MD . 1 . 2 ILE HA . . . 1 . 2 ILE HD1* . . rr_2mtx 1
89 1 OR . 1 1 7 7 LEU HA H . . . 1 1 7 7 LEU MD1 H . . . . . 2.8 1.8 5.2 . . . . . A . 7 LEU HA . . A . 7 LEU MD1 . 1 . 7 LEU HA . . . 1 . 7 LEU HD* . . rr_2mtx 1
89 2 OR . 1 1 7 7 LEU MD2 H . . . 1 1 7 7 LEU HA H . . . . . 2.8 1.8 5.2 . . . . . A . 7 LEU MD2 . . A . 7 LEU HA . 1 . 7 LEU HD* . . . 1 . 7 LEU HA . . rr_2mtx 1
90 1 OR . 1 1 8 8 PRO HD3 H . . . 1 1 8 8 PRO HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HD3 . . A . 8 PRO HG2 . 1 . 8 PRO HDR . . . 1 . 8 PRO HG* . . rr_2mtx 1
90 2 OR . 1 1 8 8 PRO HG3 H . . . 1 1 8 8 PRO HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HG3 . . A . 8 PRO HD3 . 1 . 8 PRO HG* . . . 1 . 8 PRO HDR . . rr_2mtx 1
91 1 OR . 1 1 8 8 PRO HD2 H . . . 1 1 8 8 PRO HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HD2 . . A . 8 PRO HG2 . 1 . 8 PRO HDS . . . 1 . 8 PRO HG* . . rr_2mtx 1
91 2 OR . 1 1 8 8 PRO HG3 H . . . 1 1 8 8 PRO HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HG3 . . A . 8 PRO HD2 . 1 . 8 PRO HG* . . . 1 . 8 PRO HDS . . rr_2mtx 1
92 1 . . 1 1 8 8 PRO HD3 H . . . 1 1 8 8 PRO HD2 H . . . . . 2.8 1.8 2.8 . . . . . A . 8 PRO HD3 . . A . 8 PRO HD2 . 1 . 8 PRO HDR . . . 1 . 8 PRO HDS . . rr_2mtx 1
93 1 . . 1 1 7 7 LEU HA H . . . 1 1 8 8 PRO HD2 H . . . . . 2.8 1.8 2.8 . . . . . A . 7 LEU HA . . A . 8 PRO HD2 . 1 . 7 LEU HA . . . 1 . 8 PRO HDS . . rr_2mtx 1
94 1 . . 1 1 7 7 LEU HA H . . . 1 1 8 8 PRO HD3 H . . . . . 2.8 1.8 2.8 . . . . . A . 7 LEU HA . . A . 8 PRO HD3 . 1 . 7 LEU HA . . . 1 . 8 PRO HDR . . rr_2mtx 1
95 1 OR . 1 1 8 8 PRO HB2 H . . . 1 1 8 8 PRO HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HB2 . . A . 8 PRO HG2 . 1 . 8 PRO HBR . . . 1 . 8 PRO HG* . . rr_2mtx 1
95 2 OR . 1 1 8 8 PRO HB2 H . . . 1 1 8 8 PRO HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 PRO HB2 . . A . 8 PRO HG3 . 1 . 8 PRO HBR . . . 1 . 8 PRO HG* . . rr_2mtx 1
96 1 . . 1 1 8 8 PRO HB2 H . . . 1 1 8 8 PRO HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 8 PRO HB2 . . A . 8 PRO HB3 . 1 . 8 PRO HBR . . . 1 . 8 PRO HBS . . rr_2mtx 1
97 1 . . 1 1 16 16 ARG H H . . . 1 1 15 15 ASP H H . . . . . 2.8 1.8 2.8 . . . . . A . 16 ARG H . . A . 15 ASP H . 1 . 16 ARG HN . . . 1 . 15 ASP HN . . rr_2mtx 1
98 1 . . 1 1 13 13 LYS H H . . . 1 1 14 14 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 13 LYS H . . A . 14 ALA H . 1 . 13 LYS HN . . . 1 . 14 ALA HN . . rr_2mtx 1
99 1 . . 1 1 15 15 ASP H H . . . 1 1 14 14 ALA H H . . . . . 2.8 1.8 2.8 . . . . . A . 15 ASP H . . A . 14 ALA H . 1 . 15 ASP HN . . . 1 . 14 ALA HN . . rr_2mtx 1
100 1 . . 1 1 17 17 TYR QD H . . . 1 1 17 17 TYR QE H . . . . . 2.8 1.8 6.8 . . . . . A . 17 TYR QD . . A . 17 TYR QE . 1 . 17 TYR HD* . . . 1 . 17 TYR HE* . . rr_2mtx 1
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 NOE_distance 1 1 1 13 rr_2mtx 1
2 strong: 2 87 2 102 rr_2mtx 1
3 strong: 3 87 3 102 rr_2mtx 1
4 strong: 4 87 4 102 rr_2mtx 1
5 strong: 5 87 5 102 rr_2mtx 1
6 strong: 6 87 6 102 rr_2mtx 1
7 strong: 7 87 7 102 rr_2mtx 1
8 medium: 8 87 8 101 rr_2mtx 1
9 strong: 9 87 9 102 rr_2mtx 1
10 strong: 10 87 10 102 rr_2mtx 1
11 strong: 11 87 11 102 rr_2mtx 1
12 strong: 12 87 12 102 rr_2mtx 1
13 medium: 13 87 13 102 rr_2mtx 1
14 strong: 14 87 14 102 rr_2mtx 1
15 strong: 15 87 15 102 rr_2mtx 1
16 strong: 16 87 16 102 rr_2mtx 1
17 medium: 17 87 17 102 rr_2mtx 1
18 strong: 18 87 18 102 rr_2mtx 1
19 strong: 19 87 19 102 rr_2mtx 1
20 strong: 20 87 20 102 rr_2mtx 1
21 strong: 21 87 21 102 rr_2mtx 1
22 strong: 22 87 22 102 rr_2mtx 1
23 strong: 23 87 23 102 rr_2mtx 1
24 strong: 24 87 24 102 rr_2mtx 1
25 strong: 25 87 25 102 rr_2mtx 1
26 strong: 26 87 26 102 rr_2mtx 1
27 strong: 27 87 27 102 rr_2mtx 1
28 strong: 28 87 28 102 rr_2mtx 1
29 strong: 29 87 29 102 rr_2mtx 1
30 medium: 30 87 30 102 rr_2mtx 1
31 strong: 31 87 31 102 rr_2mtx 1
32 strong: 32 87 32 102 rr_2mtx 1
33 strong: 33 87 33 102 rr_2mtx 1
34 medium: 34 87 34 102 rr_2mtx 1
35 strong: 35 87 35 102 rr_2mtx 1
36 strong: 36 87 36 102 rr_2mtx 1
37 strong: 37 87 37 102 rr_2mtx 1
38 medium: 38 87 38 102 rr_2mtx 1
39 strong: 39 87 39 102 rr_2mtx 1
40 strong: 40 87 40 102 rr_2mtx 1
41 strong: 41 87 41 102 rr_2mtx 1
42 strong: 42 87 42 102 rr_2mtx 1
43 strong: 43 87 43 102 rr_2mtx 1
44 strong: 44 87 44 102 rr_2mtx 1
45 medium: 45 87 45 102 rr_2mtx 1
46 strong: 46 87 46 102 rr_2mtx 1
47 strong: 47 87 47 102 rr_2mtx 1
48 strong: 48 87 48 102 rr_2mtx 1
49 strong: 49 87 49 102 rr_2mtx 1
50 strong: 50 87 50 102 rr_2mtx 1
51 strong: 51 87 51 102 rr_2mtx 1
52 weak: 52 87 52 100 rr_2mtx 1
53 weak: 53 87 53 100 rr_2mtx 1
54 strong: 54 87 54 102 rr_2mtx 1
55 strong: 55 87 55 102 rr_2mtx 1
56 strong: 56 87 56 102 rr_2mtx 1
57 strong: 57 87 57 102 rr_2mtx 1
58 strong: 58 87 58 102 rr_2mtx 1
59 strong: 59 87 59 102 rr_2mtx 1
60 strong: 60 87 60 102 rr_2mtx 1
61 strong: 61 87 61 102 rr_2mtx 1
62 strong: 62 87 62 102 rr_2mtx 1
63 medium: 63 87 63 102 rr_2mtx 1
64 strong: 64 87 64 102 rr_2mtx 1
65 strong: 65 87 65 102 rr_2mtx 1
66 strong: 66 87 66 102 rr_2mtx 1
67 strong: 67 87 67 102 rr_2mtx 1
68 strong: 68 87 68 102 rr_2mtx 1
69 strong: 69 87 69 102 rr_2mtx 1
70 strong: 70 87 70 102 rr_2mtx 1
71 strong: 71 87 71 102 rr_2mtx 1
72 strong: 72 87 72 102 rr_2mtx 1
73 strong: 73 87 73 102 rr_2mtx 1
74 strong: 74 87 74 102 rr_2mtx 1
75 strong: 75 87 75 102 rr_2mtx 1
76 medium: 76 87 76 102 rr_2mtx 1
77 medium: 77 87 77 102 rr_2mtx 1
78 strong: 78 87 78 102 rr_2mtx 1
79 medium: 79 87 79 102 rr_2mtx 1
80 strong: 80 87 80 102 rr_2mtx 1
81 strong: 81 87 81 102 rr_2mtx 1
82 medium: 82 87 82 102 rr_2mtx 1
83 strong: 83 87 83 102 rr_2mtx 1
84 strong: 84 87 84 102 rr_2mtx 1
85 strong: 85 87 85 102 rr_2mtx 1
86 strong: 86 87 86 102 rr_2mtx 1
87 strong: 87 87 87 102 rr_2mtx 1
88 strong: 88 87 88 102 rr_2mtx 1
89 strong: 89 87 89 102 rr_2mtx 1
90 strong: 90 87 90 102 rr_2mtx 1
91 strong: 91 87 91 102 rr_2mtx 1
92 strong: 92 87 92 102 rr_2mtx 1
93 strong: 93 87 93 102 rr_2mtx 1
94 strong: 94 87 94 102 rr_2mtx 1
95 strong: 95 87 95 102 rr_2mtx 1
96 strong: 96 87 96 102 rr_2mtx 1
97 strong: 97 87 97 102 rr_2mtx 1
98 strong: 98 87 98 102 rr_2mtx 1
99 medium: 99 87 99 101 rr_2mtx 1
100 strong: 100 87 100 102 rr_2mtx 1
stop_
loop_
_Gen_dist_constraint_parse_err.ID
_Gen_dist_constraint_parse_err.Content
_Gen_dist_constraint_parse_err.Begin_line
_Gen_dist_constraint_parse_err.Begin_column
_Gen_dist_constraint_parse_err.End_line
_Gen_dist_constraint_parse_err.End_column
_Gen_dist_constraint_parse_err.Entry_ID
_Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID
1 1.500000E+02 104 1 104 12 rr_2mtx 1
stop_
save_
save_Discover_distance_constraints_4
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_4
_Gen_dist_constraint_list.Entry_ID rr_2mtx
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type "hydrogen bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 4
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_2mtx 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 16 16 ARG H H . . . 1 1 12 12 PHE O O . . . . . . 1.8 2.5 . . . . . A . 16 ARG H . . A . 12 PHE O . 1 . 16 ARG HN . . . 1 . 12 PHE O . . rr_2mtx 2
2 1 . . 1 1 17 17 TYR H H . . . 1 1 13 13 LYS O O . . . . . . 1.8 2.5 . . . . . A . 17 TYR H . . A . 13 LYS O . 1 . 17 TYR HN . . . 1 . 13 LYS O . . rr_2mtx 2
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 distance 1 1 1 9 rr_2mtx 2
stop_
save_
save_Discover_distance_constraints_5_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_5_1
_Distance_constraint_list.Entry_ID rr_2mtx
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_2mtx 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_2mtx 1
2 1 . . . rr_2mtx 1
3 1 . . . rr_2mtx 1
4 1 . . . rr_2mtx 1
5 1 . . . rr_2mtx 1
6 1 . . . rr_2mtx 1
7 1 . . . rr_2mtx 1
8 1 . . . rr_2mtx 1
9 1 . . . rr_2mtx 1
10 1 . . . rr_2mtx 1
11 1 . . . rr_2mtx 1
12 1 . . . rr_2mtx 1
13 1 . . . rr_2mtx 1
14 1 . . . rr_2mtx 1
15 1 . . . rr_2mtx 1
16 1 . . . rr_2mtx 1
17 1 . . . rr_2mtx 1
18 1 . . . rr_2mtx 1
19 1 . . . rr_2mtx 1
20 1 . . . rr_2mtx 1
21 1 . . . rr_2mtx 1
22 1 . . . rr_2mtx 1
23 1 . . . rr_2mtx 1
24 1 . . . rr_2mtx 1
25 1 . . . rr_2mtx 1
26 1 . . . rr_2mtx 1
27 1 . . . rr_2mtx 1
28 1 . . . rr_2mtx 1
29 1 . . . rr_2mtx 1
30 1 2 . OR rr_2mtx 1
30 2 . 3 . rr_2mtx 1
30 3 . . . rr_2mtx 1
31 1 2 . OR rr_2mtx 1
31 2 . 3 . rr_2mtx 1
31 3 . . . rr_2mtx 1
32 1 2 . OR rr_2mtx 1
32 2 . 3 . rr_2mtx 1
32 3 . . . rr_2mtx 1
33 1 2 . OR rr_2mtx 1
33 2 . 3 . rr_2mtx 1
33 3 . . . rr_2mtx 1
34 1 . . . rr_2mtx 1
35 1 . . . rr_2mtx 1
36 1 . . . rr_2mtx 1
37 1 2 . OR rr_2mtx 1
37 2 . 3 . rr_2mtx 1
37 3 . . . rr_2mtx 1
38 1 . . . rr_2mtx 1
39 1 . . . rr_2mtx 1
40 1 . . . rr_2mtx 1
41 1 . . . rr_2mtx 1
42 1 . . . rr_2mtx 1
43 1 . . . rr_2mtx 1
44 1 . . . rr_2mtx 1
45 1 . . . rr_2mtx 1
46 1 . . . rr_2mtx 1
47 1 . . . rr_2mtx 1
48 1 . . . rr_2mtx 1
49 1 . . . rr_2mtx 1
50 1 . . . rr_2mtx 1
51 1 2 . OR rr_2mtx 1
51 2 . 3 . rr_2mtx 1
51 3 . . . rr_2mtx 1
52 1 2 . OR rr_2mtx 1
52 2 . 3 . rr_2mtx 1
52 3 . . . rr_2mtx 1
53 1 2 . OR rr_2mtx 1
53 2 . 3 . rr_2mtx 1
53 3 . . . rr_2mtx 1
54 1 . . . rr_2mtx 1
55 1 . . . rr_2mtx 1
56 1 . . . rr_2mtx 1
57 1 . . . rr_2mtx 1
58 1 2 . OR rr_2mtx 1
58 2 . 3 . rr_2mtx 1
58 3 . . . rr_2mtx 1
59 1 2 . OR rr_2mtx 1
59 2 . 3 . rr_2mtx 1
59 3 . . . rr_2mtx 1
60 1 2 . OR rr_2mtx 1
60 2 . 3 . rr_2mtx 1
60 3 . . . rr_2mtx 1
61 1 . . . rr_2mtx 1
62 1 . . . rr_2mtx 1
63 1 . . . rr_2mtx 1
64 1 . . . rr_2mtx 1
65 1 . . . rr_2mtx 1
66 1 . . . rr_2mtx 1
67 1 . . . rr_2mtx 1
68 1 2 . OR rr_2mtx 1
68 2 . 3 . rr_2mtx 1
68 3 . . . rr_2mtx 1
69 1 . . . rr_2mtx 1
70 1 . . . rr_2mtx 1
71 1 . . . rr_2mtx 1
72 1 2 . OR rr_2mtx 1
72 2 . 3 . rr_2mtx 1
72 3 . . . rr_2mtx 1
73 1 2 . OR rr_2mtx 1
73 2 . 3 . rr_2mtx 1
73 3 . . . rr_2mtx 1
74 1 . . . rr_2mtx 1
75 1 . . . rr_2mtx 1
76 1 . . . rr_2mtx 1
77 1 . . . rr_2mtx 1
78 1 . . . rr_2mtx 1
79 1 . . . rr_2mtx 1
80 1 . . . rr_2mtx 1
81 1 . . . rr_2mtx 1
82 1 2 . OR rr_2mtx 1
82 2 . 3 . rr_2mtx 1
82 3 . . . rr_2mtx 1
83 1 . . . rr_2mtx 1
84 1 2 . OR rr_2mtx 1
84 2 . 3 . rr_2mtx 1
84 3 . . . rr_2mtx 1
85 1 . . . rr_2mtx 1
86 1 . . . rr_2mtx 1
87 1 . . . rr_2mtx 1
88 1 . . . rr_2mtx 1
89 1 2 . OR rr_2mtx 1
89 2 . 3 . rr_2mtx 1
89 3 . . . rr_2mtx 1
90 1 2 . OR rr_2mtx 1
90 2 . 3 . rr_2mtx 1
90 3 . . . rr_2mtx 1
91 1 2 . OR rr_2mtx 1
91 2 . 3 . rr_2mtx 1
91 3 . . . rr_2mtx 1
92 1 . . . rr_2mtx 1
93 1 . . . rr_2mtx 1
94 1 . . . rr_2mtx 1
95 1 2 . OR rr_2mtx 1
95 2 . 3 . rr_2mtx 1
95 3 . . . rr_2mtx 1
96 1 . . . rr_2mtx 1
97 1 . . . rr_2mtx 1
98 1 . . . rr_2mtx 1
99 1 . . . rr_2mtx 1
100 1 . . . rr_2mtx 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 9 9 THR H H . . 1 . 9 THR HN rr_2mtx 1
1 1 . 2 . 1 1 8 8 PRO HA H . . 1 . 8 PRO HA rr_2mtx 1
2 1 . 1 . 1 1 13 13 LYS H H . . 1 . 13 LYS HN rr_2mtx 1
2 1 . 2 . 1 1 12 12 PHE HA H . . 1 . 12 PHE HA rr_2mtx 1
3 1 . 1 . 1 1 12 12 PHE H H . . 1 . 12 PHE HN rr_2mtx 1
3 1 . 2 . 1 1 12 12 PHE HA H . . 1 . 12 PHE HA rr_2mtx 1
4 1 . 1 . 1 1 16 16 ARG H H . . 1 . 16 ARG HN rr_2mtx 1
4 1 . 2 . 1 1 15 15 ASP HA H . . 1 . 15 ASP HA rr_2mtx 1
5 1 . 1 . 1 1 17 17 TYR H H . . 1 . 17 TYR HN rr_2mtx 1
5 1 . 2 . 1 1 17 17 TYR HA H . . 1 . 17 TYR HA rr_2mtx 1
6 1 . 1 . 1 1 18 18 LYS H H . . 1 . 18 LYS HN rr_2mtx 1
6 1 . 2 . 1 1 17 17 TYR HA H . . 1 . 17 TYR HA rr_2mtx 1
7 1 . 1 . 1 1 17 17 TYR H H . . 1 . 17 TYR HN rr_2mtx 1
7 1 . 2 . 1 1 15 15 ASP HA H . . 1 . 15 ASP HA rr_2mtx 1
8 1 . 1 . 1 1 7 7 LEU H H . . 1 . 7 LEU HN rr_2mtx 1
8 1 . 2 . 1 1 6 6 PHE HA H . . 1 . 6 PHE HA rr_2mtx 1
9 1 . 1 . 1 1 6 6 PHE H H . . 1 . 6 PHE HN rr_2mtx 1
9 1 . 2 . 1 1 6 6 PHE HA H . . 1 . 6 PHE HA rr_2mtx 1
10 1 . 1 . 1 1 15 15 ASP H H . . 1 . 15 ASP HN rr_2mtx 1
10 1 . 2 . 1 1 15 15 ASP HA H . . 1 . 15 ASP HA rr_2mtx 1
11 1 . 1 . 1 1 2 2 ILE H H . . 1 . 2 ILE HN rr_2mtx 1
11 1 . 2 . 1 1 1 1 MET HA H . . 1 . 1 MET HA rr_2mtx 1
12 1 . 1 . 1 1 2 2 ILE H H . . 1 . 2 ILE HN rr_2mtx 1
12 1 . 2 . 1 1 2 2 ILE HA H . . 1 . 2 ILE HA rr_2mtx 1
13 1 . 1 . 1 1 3 3 LYS H H . . 1 . 3 LYS HN rr_2mtx 1
13 1 . 2 . 1 1 2 2 ILE HA H . . 1 . 2 ILE HA rr_2mtx 1
14 1 . 1 . 1 1 20 20 HIS H H . . 1 . 20 HIS HN rr_2mtx 1
14 1 . 2 . 1 1 19 19 SER HA H . . 1 . 19 SER HA rr_2mtx 1
15 1 . 1 . 1 1 10 10 GLY H H . . 1 . 10 GLY HN rr_2mtx 1
15 1 . 2 . 1 1 9 9 THR HA H . . 1 . 9 THR HA rr_2mtx 1
16 1 . 1 . 1 1 15 15 ASP H H . . 1 . 15 ASP HN rr_2mtx 1
16 1 . 2 . 1 1 14 14 ALA HA H . . 1 . 14 ALA HA rr_2mtx 1
17 1 . 1 . 1 1 5 5 ALA H H . . 1 . 5 ALA HN rr_2mtx 1
17 1 . 2 . 1 1 5 5 ALA HA H . . 1 . 5 ALA HA rr_2mtx 1
18 1 . 1 . 1 1 5 5 ALA H H . . 1 . 5 ALA HN rr_2mtx 1
18 1 . 2 . 1 1 4 4 SER HA H . . 1 . 4 SER HA rr_2mtx 1
19 1 . 1 . 1 1 19 19 SER H H . . 1 . 19 SER HN rr_2mtx 1
19 1 . 2 . 1 1 18 18 LYS HA H . . 1 . 18 LYS HA rr_2mtx 1
20 1 . 1 . 1 1 4 4 SER H H . . 1 . 4 SER HN rr_2mtx 1
20 1 . 2 . 1 1 3 3 LYS HA H . . 1 . 3 LYS HA rr_2mtx 1
21 1 . 1 . 1 1 18 18 LYS H H . . 1 . 18 LYS HN rr_2mtx 1
21 1 . 2 . 1 1 18 18 LYS HA H . . 1 . 18 LYS HA rr_2mtx 1
22 1 . 1 . 1 1 17 17 TYR H H . . 1 . 17 TYR HN rr_2mtx 1
22 1 . 2 . 1 1 16 16 ARG HA H . . 1 . 16 ARG HA rr_2mtx 1
23 1 . 1 . 1 1 16 16 ARG H H . . 1 . 16 ARG HN rr_2mtx 1
23 1 . 2 . 1 1 16 16 ARG HA H . . 1 . 16 ARG HA rr_2mtx 1
24 1 . 1 . 1 1 11 11 ALA H H . . 1 . 11 ALA HN rr_2mtx 1
24 1 . 2 . 1 1 11 11 ALA HA H . . 1 . 11 ALA HA rr_2mtx 1
25 1 . 1 . 1 1 13 13 LYS H H . . 1 . 13 LYS HN rr_2mtx 1
25 1 . 2 . 1 1 13 13 LYS HA H . . 1 . 13 LYS HA rr_2mtx 1
26 1 . 1 . 1 1 9 9 THR H H . . 1 . 9 THR HN rr_2mtx 1
26 1 . 2 . 1 1 9 9 THR HA H . . 1 . 9 THR HA rr_2mtx 1
27 1 . 1 . 1 1 6 6 PHE H H . . 1 . 6 PHE HN rr_2mtx 1
27 1 . 2 . 1 1 5 5 ALA HA H . . 1 . 5 ALA HA rr_2mtx 1
28 1 . 1 . 1 1 14 14 ALA H H . . 1 . 14 ALA HN rr_2mtx 1
28 1 . 2 . 1 1 13 13 LYS HA H . . 1 . 13 LYS HA rr_2mtx 1
29 1 . 1 . 1 1 20 20 HIS H H . . 1 . 20 HIS HN rr_2mtx 1
29 1 . 2 . 1 1 20 20 HIS HA H . . 1 . 20 HIS HA rr_2mtx 1
30 2 . 1 . 1 1 10 10 GLY H H . . 1 . 10 GLY HN rr_2mtx 1
30 2 . 2 . 1 1 10 10 GLY HA2 H . . 1 . 10 GLY HA* rr_2mtx 1
30 3 . 1 . 1 1 10 10 GLY H H . . 1 . 10 GLY HN rr_2mtx 1
30 3 . 2 . 1 1 10 10 GLY HA3 H . . 1 . 10 GLY HA* rr_2mtx 1
31 2 . 1 . 1 1 11 11 ALA H H . . 1 . 11 ALA HN rr_2mtx 1
31 2 . 2 . 1 1 10 10 GLY HA2 H . . 1 . 10 GLY HA* rr_2mtx 1
31 3 . 1 . 1 1 11 11 ALA H H . . 1 . 11 ALA HN rr_2mtx 1
31 3 . 2 . 1 1 10 10 GLY HA3 H . . 1 . 10 GLY HA* rr_2mtx 1
32 2 . 1 . 1 1 15 15 ASP H H . . 1 . 15 ASP HN rr_2mtx 1
32 2 . 2 . 1 1 15 15 ASP HB2 H . . 1 . 15 ASP HB* rr_2mtx 1
32 3 . 1 . 1 1 15 15 ASP H H . . 1 . 15 ASP HN rr_2mtx 1
32 3 . 2 . 1 1 15 15 ASP HB3 H . . 1 . 15 ASP HB* rr_2mtx 1
33 2 . 1 . 1 1 16 16 ARG H H . . 1 . 16 ARG HN rr_2mtx 1
33 2 . 2 . 1 1 15 15 ASP HB2 H . . 1 . 15 ASP HB* rr_2mtx 1
33 3 . 1 . 1 1 16 16 ARG H H . . 1 . 16 ARG HN rr_2mtx 1
33 3 . 2 . 1 1 15 15 ASP HB3 H . . 1 . 15 ASP HB* rr_2mtx 1
34 1 . 1 . 1 1 6 6 PHE H H . . 1 . 6 PHE HN rr_2mtx 1
34 1 . 2 . 1 1 6 6 PHE HB3 H . . 1 . 6 PHE HBS rr_2mtx 1
35 1 . 1 . 1 1 17 17 TYR H H . . 1 . 17 TYR HN rr_2mtx 1
35 1 . 2 . 1 1 17 17 TYR HB3 H . . 1 . 17 TYR HBS rr_2mtx 1
36 1 . 1 . 1 1 17 17 TYR H H . . 1 . 17 TYR HN rr_2mtx 1
36 1 . 2 . 1 1 17 17 TYR HB2 H . . 1 . 17 TYR HBR rr_2mtx 1
37 2 . 1 . 1 1 16 16 ARG H H . . 1 . 16 ARG HN rr_2mtx 1
37 2 . 2 . 1 1 16 16 ARG HD2 H . . 1 . 16 ARG HD* rr_2mtx 1
37 3 . 1 . 1 1 16 16 ARG H H . . 1 . 16 ARG HN rr_2mtx 1
37 3 . 2 . 1 1 16 16 ARG HD3 H . . 1 . 16 ARG HD* rr_2mtx 1
38 1 . 1 . 1 1 6 6 PHE H H . . 1 . 6 PHE HN rr_2mtx 1
38 1 . 2 . 1 1 6 6 PHE HB2 H . . 1 . 6 PHE HBR rr_2mtx 1
39 1 . 1 . 1 1 12 12 PHE H H . . 1 . 12 PHE HN rr_2mtx 1
39 1 . 2 . 1 1 12 12 PHE HB3 H . . 1 . 12 PHE HBS rr_2mtx 1
40 1 . 1 . 1 1 6 6 PHE QD H . . 1 . 6 PHE HD* rr_2mtx 1
40 1 . 2 . 1 1 6 6 PHE HB3 H . . 1 . 6 PHE HBS rr_2mtx 1
41 1 . 1 . 1 1 6 6 PHE QD H . . 1 . 6 PHE HD* rr_2mtx 1
41 1 . 2 . 1 1 6 6 PHE HB2 H . . 1 . 6 PHE HBR rr_2mtx 1
42 1 . 1 . 1 1 17 17 TYR QD H . . 1 . 17 TYR HD* rr_2mtx 1
42 1 . 2 . 1 1 17 17 TYR HB3 H . . 1 . 17 TYR HBS rr_2mtx 1
43 1 . 1 . 1 1 17 17 TYR QD H . . 1 . 17 TYR HD* rr_2mtx 1
43 1 . 2 . 1 1 17 17 TYR HB2 H . . 1 . 17 TYR HBR rr_2mtx 1
44 1 . 1 . 1 1 12 12 PHE H H . . 1 . 12 PHE HN rr_2mtx 1
44 1 . 2 . 1 1 12 12 PHE HB2 H . . 1 . 12 PHE HBR rr_2mtx 1
45 1 . 1 . 1 1 3 3 LYS H H . . 1 . 3 LYS HN rr_2mtx 1
45 1 . 2 . 1 1 3 3 LYS HB3 H . . 1 . 3 LYS HBS rr_2mtx 1
46 1 . 1 . 1 1 3 3 LYS H H . . 1 . 3 LYS HN rr_2mtx 1
46 1 . 2 . 1 1 3 3 LYS HB2 H . . 1 . 3 LYS HBR rr_2mtx 1
47 1 . 1 . 1 1 2 2 ILE H H . . 1 . 2 ILE HN rr_2mtx 1
47 1 . 2 . 1 1 2 2 ILE HB H . . 1 . 2 ILE HB rr_2mtx 1
48 1 . 1 . 1 1 5 5 ALA H H . . 1 . 5 ALA HN rr_2mtx 1
48 1 . 2 . 1 1 5 5 ALA MB H . . 1 . 5 ALA HB* rr_2mtx 1
49 1 . 1 . 1 1 11 11 ALA H H . . 1 . 11 ALA HN rr_2mtx 1
49 1 . 2 . 1 1 11 11 ALA MB H . . 1 . 11 ALA HB* rr_2mtx 1
50 1 . 1 . 1 1 14 14 ALA H H . . 1 . 14 ALA HN rr_2mtx 1
50 1 . 2 . 1 1 14 14 ALA MB H . . 1 . 14 ALA HB* rr_2mtx 1
51 2 . 1 . 1 1 13 13 LYS H H . . 1 . 13 LYS HN rr_2mtx 1
51 2 . 2 . 1 1 13 13 LYS HG2 H . . 1 . 13 LYS HG* rr_2mtx 1
51 3 . 1 . 1 1 13 13 LYS H H . . 1 . 13 LYS HN rr_2mtx 1
51 3 . 2 . 1 1 13 13 LYS HG3 H . . 1 . 13 LYS HG* rr_2mtx 1
52 2 . 1 . 1 1 18 18 LYS H H . . 1 . 18 LYS HN rr_2mtx 1
52 2 . 2 . 1 1 18 18 LYS HG2 H . . 1 . 18 LYS HG* rr_2mtx 1
52 3 . 1 . 1 1 18 18 LYS H H . . 1 . 18 LYS HN rr_2mtx 1
52 3 . 2 . 1 1 18 18 LYS HG3 H . . 1 . 18 LYS HG* rr_2mtx 1
53 2 . 1 . 1 1 7 7 LEU H H . . 1 . 7 LEU HN rr_2mtx 1
53 2 . 2 . 1 1 7 7 LEU HB2 H . . 1 . 7 LEU HB* rr_2mtx 1
53 3 . 1 . 1 1 7 7 LEU H H . . 1 . 7 LEU HN rr_2mtx 1
53 3 . 2 . 1 1 7 7 LEU HB3 H . . 1 . 7 LEU HB* rr_2mtx 1
54 1 . 1 . 1 1 18 18 LYS H H . . 1 . 18 LYS HN rr_2mtx 1
54 1 . 2 . 1 1 18 18 LYS HB3 H . . 1 . 18 LYS HBS rr_2mtx 1
55 1 . 1 . 1 1 18 18 LYS H H . . 1 . 18 LYS HN rr_2mtx 1
55 1 . 2 . 1 1 18 18 LYS HB2 H . . 1 . 18 LYS HBR rr_2mtx 1
56 1 . 1 . 1 1 13 13 LYS H H . . 1 . 13 LYS HN rr_2mtx 1
56 1 . 2 . 1 1 13 13 LYS HB2 H . . 1 . 13 LYS HBR rr_2mtx 1
57 1 . 1 . 1 1 13 13 LYS H H . . 1 . 13 LYS HN rr_2mtx 1
57 1 . 2 . 1 1 13 13 LYS HB3 H . . 1 . 13 LYS HBS rr_2mtx 1
58 2 . 1 . 1 1 16 16 ARG H H . . 1 . 16 ARG HN rr_2mtx 1
58 2 . 2 . 1 1 16 16 ARG HB2 H . . 1 . 16 ARG HB* rr_2mtx 1
58 3 . 1 . 1 1 16 16 ARG H H . . 1 . 16 ARG HN rr_2mtx 1
58 3 . 2 . 1 1 16 16 ARG HB3 H . . 1 . 16 ARG HB* rr_2mtx 1
59 2 . 1 . 1 1 9 9 THR H H . . 1 . 9 THR HN rr_2mtx 1
59 2 . 2 . 1 1 9 9 THR MG H . . 1 . 9 THR HG* rr_2mtx 1
59 3 . 1 . 1 1 9 9 THR H H . . 1 . 9 THR HN rr_2mtx 1
59 3 . 2 . 1 1 9 9 THR HG1 H . . 1 . 9 THR HG* rr_2mtx 1
60 2 . 1 . 1 1 7 7 LEU H H . . 1 . 7 LEU HN rr_2mtx 1
60 2 . 2 . 1 1 7 7 LEU MD1 H . . 1 . 7 LEU HD* rr_2mtx 1
60 3 . 1 . 1 1 7 7 LEU H H . . 1 . 7 LEU HN rr_2mtx 1
60 3 . 2 . 1 1 7 7 LEU MD2 H . . 1 . 7 LEU HD* rr_2mtx 1
61 1 . 1 . 1 1 12 12 PHE QD H . . 1 . 12 PHE HD* rr_2mtx 1
61 1 . 2 . 1 1 12 12 PHE HA H . . 1 . 12 PHE HA rr_2mtx 1
62 1 . 1 . 1 1 6 6 PHE QD H . . 1 . 6 PHE HD* rr_2mtx 1
62 1 . 2 . 1 1 6 6 PHE HA H . . 1 . 6 PHE HA rr_2mtx 1
63 1 . 1 . 1 1 17 17 TYR QD H . . 1 . 17 TYR HD* rr_2mtx 1
63 1 . 2 . 1 1 17 17 TYR HA H . . 1 . 17 TYR HA rr_2mtx 1
64 1 . 1 . 1 1 12 12 PHE HB2 H . . 1 . 12 PHE HBR rr_2mtx 1
64 1 . 2 . 1 1 12 12 PHE HA H . . 1 . 12 PHE HA rr_2mtx 1
65 1 . 1 . 1 1 6 6 PHE HB2 H . . 1 . 6 PHE HBR rr_2mtx 1
65 1 . 2 . 1 1 6 6 PHE HA H . . 1 . 6 PHE HA rr_2mtx 1
66 1 . 1 . 1 1 6 6 PHE HB3 H . . 1 . 6 PHE HBS rr_2mtx 1
66 1 . 2 . 1 1 6 6 PHE HA H . . 1 . 6 PHE HA rr_2mtx 1
67 1 . 1 . 1 1 17 17 TYR HB3 H . . 1 . 17 TYR HBS rr_2mtx 1
67 1 . 2 . 1 1 17 17 TYR HA H . . 1 . 17 TYR HA rr_2mtx 1
68 2 . 1 . 1 1 15 15 ASP HB2 H . . 1 . 15 ASP HB* rr_2mtx 1
68 2 . 2 . 1 1 15 15 ASP HA H . . 1 . 15 ASP HA rr_2mtx 1
68 3 . 1 . 1 1 15 15 ASP HB3 H . . 1 . 15 ASP HB* rr_2mtx 1
68 3 . 2 . 1 1 15 15 ASP HA H . . 1 . 15 ASP HA rr_2mtx 1
69 1 . 1 . 1 1 12 12 PHE HB3 H . . 1 . 12 PHE HBS rr_2mtx 1
69 1 . 2 . 1 1 12 12 PHE HA H . . 1 . 12 PHE HA rr_2mtx 1
70 1 . 1 . 1 1 17 17 TYR HB2 H . . 1 . 17 TYR HBR rr_2mtx 1
70 1 . 2 . 1 1 17 17 TYR HA H . . 1 . 17 TYR HA rr_2mtx 1
71 1 . 1 . 1 1 8 8 PRO HB2 H . . 1 . 8 PRO HBR rr_2mtx 1
71 1 . 2 . 1 1 8 8 PRO HA H . . 1 . 8 PRO HA rr_2mtx 1
72 2 . 1 . 1 1 8 8 PRO HG2 H . . 1 . 8 PRO HG* rr_2mtx 1
72 2 . 2 . 1 1 8 8 PRO HA H . . 1 . 8 PRO HA rr_2mtx 1
72 3 . 1 . 1 1 8 8 PRO HG3 H . . 1 . 8 PRO HG* rr_2mtx 1
72 3 . 2 . 1 1 8 8 PRO HA H . . 1 . 8 PRO HA rr_2mtx 1
73 2 . 1 . 1 1 7 7 LEU HB2 H . . 1 . 7 LEU HB* rr_2mtx 1
73 2 . 2 . 1 1 7 7 LEU HA H . . 1 . 7 LEU HA rr_2mtx 1
73 3 . 1 . 1 1 7 7 LEU HB3 H . . 1 . 7 LEU HB* rr_2mtx 1
73 3 . 2 . 1 1 7 7 LEU HA H . . 1 . 7 LEU HA rr_2mtx 1
74 1 . 1 . 1 1 7 7 LEU HG H . . 1 . 7 LEU HG rr_2mtx 1
74 1 . 2 . 1 1 7 7 LEU HA H . . 1 . 7 LEU HA rr_2mtx 1
75 1 . 1 . 1 1 3 3 LYS HB2 H . . 1 . 3 LYS HBR rr_2mtx 1
75 1 . 2 . 1 1 3 3 LYS HA H . . 1 . 3 LYS HA rr_2mtx 1
76 1 . 1 . 1 1 3 3 LYS HB3 H . . 1 . 3 LYS HBS rr_2mtx 1
76 1 . 2 . 1 1 3 3 LYS HA H . . 1 . 3 LYS HA rr_2mtx 1
77 1 . 1 . 1 1 18 18 LYS HB2 H . . 1 . 18 LYS HBR rr_2mtx 1
77 1 . 2 . 1 1 18 18 LYS HA H . . 1 . 18 LYS HA rr_2mtx 1
78 1 . 1 . 1 1 18 18 LYS HB3 H . . 1 . 18 LYS HBS rr_2mtx 1
78 1 . 2 . 1 1 18 18 LYS HA H . . 1 . 18 LYS HA rr_2mtx 1
79 1 . 1 . 1 1 2 2 ILE HB H . . 1 . 2 ILE HB rr_2mtx 1
79 1 . 2 . 1 1 2 2 ILE HA H . . 1 . 2 ILE HA rr_2mtx 1
80 1 . 1 . 1 1 13 13 LYS HB2 H . . 1 . 13 LYS HBR rr_2mtx 1
80 1 . 2 . 1 1 13 13 LYS HA H . . 1 . 13 LYS HA rr_2mtx 1
81 1 . 1 . 1 1 13 13 LYS HB3 H . . 1 . 13 LYS HBS rr_2mtx 1
81 1 . 2 . 1 1 13 13 LYS HA H . . 1 . 13 LYS HA rr_2mtx 1
82 2 . 1 . 1 1 13 13 LYS HD2 H . . 1 . 13 LYS HD* rr_2mtx 1
82 2 . 2 . 1 1 13 13 LYS HA H . . 1 . 13 LYS HA rr_2mtx 1
82 3 . 1 . 1 1 13 13 LYS HD3 H . . 1 . 13 LYS HD* rr_2mtx 1
82 3 . 2 . 1 1 13 13 LYS HA H . . 1 . 13 LYS HA rr_2mtx 1
83 1 . 1 . 1 1 8 8 PRO HB3 H . . 1 . 8 PRO HBS rr_2mtx 1
83 1 . 2 . 1 1 8 8 PRO HA H . . 1 . 8 PRO HA rr_2mtx 1
84 2 . 1 . 1 1 13 13 LYS HG2 H . . 1 . 13 LYS HG* rr_2mtx 1
84 2 . 2 . 1 1 13 13 LYS HA H . . 1 . 13 LYS HA rr_2mtx 1
84 3 . 1 . 1 1 13 13 LYS HG3 H . . 1 . 13 LYS HG* rr_2mtx 1
84 3 . 2 . 1 1 13 13 LYS HA H . . 1 . 13 LYS HA rr_2mtx 1
85 1 . 1 . 1 1 14 14 ALA MB H . . 1 . 14 ALA HB* rr_2mtx 1
85 1 . 2 . 1 1 14 14 ALA HA H . . 1 . 14 ALA HA rr_2mtx 1
86 1 . 1 . 1 1 11 11 ALA MB H . . 1 . 11 ALA HB* rr_2mtx 1
86 1 . 2 . 1 1 11 11 ALA HA H . . 1 . 11 ALA HA rr_2mtx 1
87 1 . 1 . 1 1 5 5 ALA MB H . . 1 . 5 ALA HB* rr_2mtx 1
87 1 . 2 . 1 1 5 5 ALA HA H . . 1 . 5 ALA HA rr_2mtx 1
88 1 . 1 . 1 1 2 2 ILE MD H . . 1 . 2 ILE HD1* rr_2mtx 1
88 1 . 2 . 1 1 2 2 ILE HA H . . 1 . 2 ILE HA rr_2mtx 1
89 2 . 1 . 1 1 7 7 LEU MD1 H . . 1 . 7 LEU HD* rr_2mtx 1
89 2 . 2 . 1 1 7 7 LEU HA H . . 1 . 7 LEU HA rr_2mtx 1
89 3 . 1 . 1 1 7 7 LEU MD2 H . . 1 . 7 LEU HD* rr_2mtx 1
89 3 . 2 . 1 1 7 7 LEU HA H . . 1 . 7 LEU HA rr_2mtx 1
90 2 . 1 . 1 1 8 8 PRO HG2 H . . 1 . 8 PRO HG* rr_2mtx 1
90 2 . 2 . 1 1 8 8 PRO HD3 H . . 1 . 8 PRO HDR rr_2mtx 1
90 3 . 1 . 1 1 8 8 PRO HG3 H . . 1 . 8 PRO HG* rr_2mtx 1
90 3 . 2 . 1 1 8 8 PRO HD3 H . . 1 . 8 PRO HDR rr_2mtx 1
91 2 . 1 . 1 1 8 8 PRO HG2 H . . 1 . 8 PRO HG* rr_2mtx 1
91 2 . 2 . 1 1 8 8 PRO HD2 H . . 1 . 8 PRO HDS rr_2mtx 1
91 3 . 1 . 1 1 8 8 PRO HG3 H . . 1 . 8 PRO HG* rr_2mtx 1
91 3 . 2 . 1 1 8 8 PRO HD2 H . . 1 . 8 PRO HDS rr_2mtx 1
92 1 . 1 . 1 1 8 8 PRO HD3 H . . 1 . 8 PRO HDR rr_2mtx 1
92 1 . 2 . 1 1 8 8 PRO HD2 H . . 1 . 8 PRO HDS rr_2mtx 1
93 1 . 1 . 1 1 8 8 PRO HD2 H . . 1 . 8 PRO HDS rr_2mtx 1
93 1 . 2 . 1 1 7 7 LEU HA H . . 1 . 7 LEU HA rr_2mtx 1
94 1 . 1 . 1 1 8 8 PRO HD3 H . . 1 . 8 PRO HDR rr_2mtx 1
94 1 . 2 . 1 1 7 7 LEU HA H . . 1 . 7 LEU HA rr_2mtx 1
95 2 . 1 . 1 1 8 8 PRO HG2 H . . 1 . 8 PRO HG* rr_2mtx 1
95 2 . 2 . 1 1 8 8 PRO HB2 H . . 1 . 8 PRO HBR rr_2mtx 1
95 3 . 1 . 1 1 8 8 PRO HG3 H . . 1 . 8 PRO HG* rr_2mtx 1
95 3 . 2 . 1 1 8 8 PRO HB2 H . . 1 . 8 PRO HBR rr_2mtx 1
96 1 . 1 . 1 1 8 8 PRO HB3 H . . 1 . 8 PRO HBS rr_2mtx 1
96 1 . 2 . 1 1 8 8 PRO HB2 H . . 1 . 8 PRO HBR rr_2mtx 1
97 1 . 1 . 1 1 16 16 ARG H H . . 1 . 16 ARG HN rr_2mtx 1
97 1 . 2 . 1 1 15 15 ASP H H . . 1 . 15 ASP HN rr_2mtx 1
98 1 . 1 . 1 1 13 13 LYS H H . . 1 . 13 LYS HN rr_2mtx 1
98 1 . 2 . 1 1 14 14 ALA H H . . 1 . 14 ALA HN rr_2mtx 1
99 1 . 1 . 1 1 15 15 ASP H H . . 1 . 15 ASP HN rr_2mtx 1
99 1 . 2 . 1 1 14 14 ALA H H . . 1 . 14 ALA HN rr_2mtx 1
100 1 . 1 . 1 1 17 17 TYR QD H . . 1 . 17 TYR HD* rr_2mtx 1
100 1 . 2 . 1 1 17 17 TYR QE H . . 1 . 17 TYR HE* rr_2mtx 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
2 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
3 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
4 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
5 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
6 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
7 1 . . . . . . 3.5 2.8 3.5 rr_2mtx 1
8 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
9 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
10 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
11 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
12 1 . . . . . . 3.5 2.8 3.5 rr_2mtx 1
13 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
14 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
15 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
16 1 . . . . . . 3.5 2.8 3.5 rr_2mtx 1
17 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
18 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
19 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
20 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
21 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
22 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
23 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
24 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
25 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
26 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
27 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
28 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
29 1 . . . . . . 3.5 2.8 3.5 rr_2mtx 1
30 2 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
30 3 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
31 2 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
31 3 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
32 2 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
32 3 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
33 2 . . . . . . 3.5 2.8 4.5 rr_2mtx 1
33 3 . . . . . . 3.5 2.8 4.5 rr_2mtx 1
34 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
35 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
36 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
37 2 . . . . . . 3.5 2.8 4.5 rr_2mtx 1
37 3 . . . . . . 3.5 2.8 4.5 rr_2mtx 1
38 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
39 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
40 1 . . . . . . 2.8 1.8 4.8 rr_2mtx 1
41 1 . . . . . . 2.8 1.8 4.8 rr_2mtx 1
42 1 . . . . . . 2.8 1.8 4.8 rr_2mtx 1
43 1 . . . . . . 2.8 1.8 4.8 rr_2mtx 1
44 1 . . . . . . 3.5 2.8 3.5 rr_2mtx 1
45 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
46 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
47 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
48 1 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
49 1 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
50 1 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
51 2 . . . . . . 5.0 3.5 6.0 rr_2mtx 1
51 3 . . . . . . 5.0 3.5 6.0 rr_2mtx 1
52 2 . . . . . . 5.0 3.5 6.0 rr_2mtx 1
52 3 . . . . . . 5.0 3.5 6.0 rr_2mtx 1
53 2 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
53 3 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
54 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
55 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
56 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
57 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
58 2 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
58 3 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
59 2 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
59 3 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
60 2 . . . . . . 2.8 1.8 5.2 rr_2mtx 1
60 3 . . . . . . 2.8 1.8 5.2 rr_2mtx 1
61 1 . . . . . . 2.8 1.8 4.8 rr_2mtx 1
62 1 . . . . . . 3.5 2.8 5.5 rr_2mtx 1
63 1 . . . . . . 2.8 1.8 4.8 rr_2mtx 1
64 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
65 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
66 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
67 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
68 2 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
68 3 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
69 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
70 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
71 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
72 2 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
72 3 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
73 2 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
73 3 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
74 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
75 1 . . . . . . 3.5 2.8 3.5 rr_2mtx 1
76 1 . . . . . . 3.5 2.8 3.5 rr_2mtx 1
77 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
78 1 . . . . . . 3.5 2.8 3.5 rr_2mtx 1
79 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
80 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
81 1 . . . . . . 3.5 2.8 3.5 rr_2mtx 1
82 2 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
82 3 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
83 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
84 2 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
84 3 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
85 1 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
86 1 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
87 1 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
88 1 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
89 2 . . . . . . 2.8 1.8 5.2 rr_2mtx 1
89 3 . . . . . . 2.8 1.8 5.2 rr_2mtx 1
90 2 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
90 3 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
91 2 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
91 3 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
92 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
93 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
94 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
95 2 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
95 3 . . . . . . 2.8 1.8 3.8 rr_2mtx 1
96 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
97 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
98 1 . . . . . . 3.5 2.8 3.5 rr_2mtx 1
99 1 . . . . . . 2.8 1.8 2.8 rr_2mtx 1
100 1 . . . . . . 2.8 1.8 6.8 rr_2mtx 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 NOE_distance 1 1 1 13 rr_2mtx 1
2 strong: 2 87 2 102 rr_2mtx 1
3 strong: 3 87 3 102 rr_2mtx 1
4 strong: 4 87 4 102 rr_2mtx 1
5 strong: 5 87 5 102 rr_2mtx 1
6 strong: 6 87 6 102 rr_2mtx 1
7 strong: 7 87 7 102 rr_2mtx 1
8 medium: 8 87 8 101 rr_2mtx 1
9 strong: 9 87 9 102 rr_2mtx 1
10 strong: 10 87 10 102 rr_2mtx 1
11 strong: 11 87 11 102 rr_2mtx 1
12 strong: 12 87 12 102 rr_2mtx 1
13 medium: 13 87 13 102 rr_2mtx 1
14 strong: 14 87 14 102 rr_2mtx 1
15 strong: 15 87 15 102 rr_2mtx 1
16 strong: 16 87 16 102 rr_2mtx 1
17 medium: 17 87 17 102 rr_2mtx 1
18 strong: 18 87 18 102 rr_2mtx 1
19 strong: 19 87 19 102 rr_2mtx 1
20 strong: 20 87 20 102 rr_2mtx 1
21 strong: 21 87 21 102 rr_2mtx 1
22 strong: 22 87 22 102 rr_2mtx 1
23 strong: 23 87 23 102 rr_2mtx 1
24 strong: 24 87 24 102 rr_2mtx 1
25 strong: 25 87 25 102 rr_2mtx 1
26 strong: 26 87 26 102 rr_2mtx 1
27 strong: 27 87 27 102 rr_2mtx 1
28 strong: 28 87 28 102 rr_2mtx 1
29 strong: 29 87 29 102 rr_2mtx 1
30 medium: 30 87 30 102 rr_2mtx 1
31 strong: 31 87 31 102 rr_2mtx 1
32 strong: 32 87 32 102 rr_2mtx 1
33 strong: 33 87 33 102 rr_2mtx 1
34 medium: 34 87 34 102 rr_2mtx 1
35 strong: 35 87 35 102 rr_2mtx 1
36 strong: 36 87 36 102 rr_2mtx 1
37 strong: 37 87 37 102 rr_2mtx 1
38 medium: 38 87 38 102 rr_2mtx 1
39 strong: 39 87 39 102 rr_2mtx 1
40 strong: 40 87 40 102 rr_2mtx 1
41 strong: 41 87 41 102 rr_2mtx 1
42 strong: 42 87 42 102 rr_2mtx 1
43 strong: 43 87 43 102 rr_2mtx 1
44 strong: 44 87 44 102 rr_2mtx 1
45 medium: 45 87 45 102 rr_2mtx 1
46 strong: 46 87 46 102 rr_2mtx 1
47 strong: 47 87 47 102 rr_2mtx 1
48 strong: 48 87 48 102 rr_2mtx 1
49 strong: 49 87 49 102 rr_2mtx 1
50 strong: 50 87 50 102 rr_2mtx 1
51 strong: 51 87 51 102 rr_2mtx 1
52 weak: 52 87 52 100 rr_2mtx 1
53 weak: 53 87 53 100 rr_2mtx 1
54 strong: 54 87 54 102 rr_2mtx 1
55 strong: 55 87 55 102 rr_2mtx 1
56 strong: 56 87 56 102 rr_2mtx 1
57 strong: 57 87 57 102 rr_2mtx 1
58 strong: 58 87 58 102 rr_2mtx 1
59 strong: 59 87 59 102 rr_2mtx 1
60 strong: 60 87 60 102 rr_2mtx 1
61 strong: 61 87 61 102 rr_2mtx 1
62 strong: 62 87 62 102 rr_2mtx 1
63 medium: 63 87 63 102 rr_2mtx 1
64 strong: 64 87 64 102 rr_2mtx 1
65 strong: 65 87 65 102 rr_2mtx 1
66 strong: 66 87 66 102 rr_2mtx 1
67 strong: 67 87 67 102 rr_2mtx 1
68 strong: 68 87 68 102 rr_2mtx 1
69 strong: 69 87 69 102 rr_2mtx 1
70 strong: 70 87 70 102 rr_2mtx 1
71 strong: 71 87 71 102 rr_2mtx 1
72 strong: 72 87 72 102 rr_2mtx 1
73 strong: 73 87 73 102 rr_2mtx 1
74 strong: 74 87 74 102 rr_2mtx 1
75 strong: 75 87 75 102 rr_2mtx 1
76 medium: 76 87 76 102 rr_2mtx 1
77 medium: 77 87 77 102 rr_2mtx 1
78 strong: 78 87 78 102 rr_2mtx 1
79 medium: 79 87 79 102 rr_2mtx 1
80 strong: 80 87 80 102 rr_2mtx 1
81 strong: 81 87 81 102 rr_2mtx 1
82 medium: 82 87 82 102 rr_2mtx 1
83 strong: 83 87 83 102 rr_2mtx 1
84 strong: 84 87 84 102 rr_2mtx 1
85 strong: 85 87 85 102 rr_2mtx 1
86 strong: 86 87 86 102 rr_2mtx 1
87 strong: 87 87 87 102 rr_2mtx 1
88 strong: 88 87 88 102 rr_2mtx 1
89 strong: 89 87 89 102 rr_2mtx 1
90 strong: 90 87 90 102 rr_2mtx 1
91 strong: 91 87 91 102 rr_2mtx 1
92 strong: 92 87 92 102 rr_2mtx 1
93 strong: 93 87 93 102 rr_2mtx 1
94 strong: 94 87 94 102 rr_2mtx 1
95 strong: 95 87 95 102 rr_2mtx 1
96 strong: 96 87 96 102 rr_2mtx 1
97 strong: 97 87 97 102 rr_2mtx 1
98 strong: 98 87 98 102 rr_2mtx 1
99 medium: 99 87 99 101 rr_2mtx 1
100 strong: 100 87 100 102 rr_2mtx 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1 1.500000E+02 104 1 104 12 rr_2mtx 1
stop_
save_
save_Discover_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_4_1
_Distance_constraint_list.Entry_ID rr_2mtx
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_2mtx 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_2mtx 2
2 1 . . . rr_2mtx 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 12 12 PHE O O . . 1 . 12 PHE O rr_2mtx 2
1 1 . 2 . 1 1 16 16 ARG H H . . 1 . 16 ARG HN rr_2mtx 2
2 1 . 1 . 1 1 13 13 LYS O O . . 1 . 13 LYS O rr_2mtx 2
2 1 . 2 . 1 1 17 17 TYR H H . . 1 . 17 TYR HN rr_2mtx 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 1.8 2.5 rr_2mtx 2
2 1 . . . . . . . 1.8 2.5 rr_2mtx 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 distance 1 1 1 9 rr_2mtx 2
stop_
save_
save_Discover_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_6
_Torsion_angle_constraint_list.Entry_ID rr_2mtx
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_2mtx 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 1 1 MET CA C . . 1 1 1 1 MET C C . . 1 1 2 2 ILE N N . . 1 1 2 2 ILE CA C . 178.0 180.0 . . . A . 1 MET CA . . A . 1 MET C . . A . 2 ILE N . . A . 2 ILE CA . 1 . 1 MET CA . . . 1 . 1 MET C . . . 1 . 2 ILE N . . . 1 . 2 ILE CA . . rr_2mtx 1
2 . . 1 1 2 2 ILE CA C . . 1 1 2 2 ILE C C . . 1 1 3 3 LYS N N . . 1 1 3 3 LYS CA C . 178.0 180.0 . . . A . 2 ILE CA . . A . 2 ILE C . . A . 3 LYS N . . A . 3 LYS CA . 1 . 2 ILE CA . . . 1 . 2 ILE C . . . 1 . 3 LYS N . . . 1 . 3 LYS CA . . rr_2mtx 1
3 . . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS C C . . 1 1 4 4 SER N N . . 1 1 4 4 SER CA C . 178.0 180.0 . . . A . 3 LYS CA . . A . 3 LYS C . . A . 4 SER N . . A . 4 SER CA . 1 . 3 LYS CA . . . 1 . 3 LYS C . . . 1 . 4 SER N . . . 1 . 4 SER CA . . rr_2mtx 1
4 . . 1 1 4 4 SER CA C . . 1 1 4 4 SER C C . . 1 1 5 5 ALA N N . . 1 1 5 5 ALA CA C . 178.0 180.0 . . . A . 4 SER CA . . A . 4 SER C . . A . 5 ALA N . . A . 5 ALA CA . 1 . 4 SER CA . . . 1 . 4 SER C . . . 1 . 5 ALA N . . . 1 . 5 ALA CA . . rr_2mtx 1
5 . . 1 1 5 5 ALA CA C . . 1 1 5 5 ALA C C . . 1 1 6 6 PHE N N . . 1 1 6 6 PHE CA C . 178.0 180.0 . . . A . 5 ALA CA . . A . 5 ALA C . . A . 6 PHE N . . A . 6 PHE CA . 1 . 5 ALA CA . . . 1 . 5 ALA C . . . 1 . 6 PHE N . . . 1 . 6 PHE CA . . rr_2mtx 1
6 . . 1 1 6 6 PHE CA C . . 1 1 6 6 PHE C C . . 1 1 7 7 LEU N N . . 1 1 7 7 LEU CA C . 178.0 180.0 . . . A . 6 PHE CA . . A . 6 PHE C . . A . 7 LEU N . . A . 7 LEU CA . 1 . 6 PHE CA . . . 1 . 6 PHE C . . . 1 . 7 LEU N . . . 1 . 7 LEU CA . . rr_2mtx 1
7 . . 1 1 7 7 LEU CA C . . 1 1 7 7 LEU C C . . 1 1 8 8 PRO N N . . 1 1 8 8 PRO CA C . 178.0 180.0 . . . A . 7 LEU CA . . A . 7 LEU C . . A . 8 PRO N . . A . 8 PRO CA . 1 . 7 LEU CA . . . 1 . 7 LEU C . . . 1 . 8 PRO N . . . 1 . 8 PRO CA . . rr_2mtx 1
8 . . 1 1 8 8 PRO CA C . . 1 1 8 8 PRO C C . . 1 1 9 9 THR N N . . 1 1 9 9 THR CA C . 178.0 180.0 . . . A . 8 PRO CA . . A . 8 PRO C . . A . 9 THR N . . A . 9 THR CA . 1 . 8 PRO CA . . . 1 . 8 PRO C . . . 1 . 9 THR N . . . 1 . 9 THR CA . . rr_2mtx 1
9 . . 1 1 9 9 THR CA C . . 1 1 9 9 THR C C . . 1 1 10 10 GLY N N . . 1 1 10 10 GLY CA C . 178.0 180.0 . . . A . 9 THR CA . . A . 9 THR C . . A . 10 GLY N . . A . 10 GLY CA . 1 . 9 THR CA . . . 1 . 9 THR C . . . 1 . 10 GLY N . . . 1 . 10 GLY CA . . rr_2mtx 1
10 . . 1 1 10 10 GLY CA C . . 1 1 10 10 GLY C C . . 1 1 11 11 ALA N N . . 1 1 11 11 ALA CA C . 178.0 180.0 . . . A . 10 GLY CA . . A . 10 GLY C . . A . 11 ALA N . . A . 11 ALA CA . 1 . 10 GLY CA . . . 1 . 10 GLY C . . . 1 . 11 ALA N . . . 1 . 11 ALA CA . . rr_2mtx 1
11 . . 1 1 11 11 ALA CA C . . 1 1 11 11 ALA C C . . 1 1 12 12 PHE N N . . 1 1 12 12 PHE CA C . 178.0 180.0 . . . A . 11 ALA CA . . A . 11 ALA C . . A . 12 PHE N . . A . 12 PHE CA . 1 . 11 ALA CA . . . 1 . 11 ALA C . . . 1 . 12 PHE N . . . 1 . 12 PHE CA . . rr_2mtx 1
12 . . 1 1 12 12 PHE CA C . . 1 1 12 12 PHE C C . . 1 1 13 13 LYS N N . . 1 1 13 13 LYS CA C . 178.0 180.0 . . . A . 12 PHE CA . . A . 12 PHE C . . A . 13 LYS N . . A . 13 LYS CA . 1 . 12 PHE CA . . . 1 . 12 PHE C . . . 1 . 13 LYS N . . . 1 . 13 LYS CA . . rr_2mtx 1
13 . . 1 1 13 13 LYS CA C . . 1 1 13 13 LYS C C . . 1 1 14 14 ALA N N . . 1 1 14 14 ALA CA C . 178.0 180.0 . . . A . 13 LYS CA . . A . 13 LYS C . . A . 14 ALA N . . A . 14 ALA CA . 1 . 13 LYS CA . . . 1 . 13 LYS C . . . 1 . 14 ALA N . . . 1 . 14 ALA CA . . rr_2mtx 1
14 . . 1 1 14 14 ALA CA C . . 1 1 14 14 ALA C C . . 1 1 15 15 ASP N N . . 1 1 15 15 ASP CA C . 178.0 180.0 . . . A . 14 ALA CA . . A . 14 ALA C . . A . 15 ASP N . . A . 15 ASP CA . 1 . 14 ALA CA . . . 1 . 14 ALA C . . . 1 . 15 ASP N . . . 1 . 15 ASP CA . . rr_2mtx 1
15 . . 1 1 15 15 ASP CA C . . 1 1 15 15 ASP C C . . 1 1 16 16 ARG N N . . 1 1 16 16 ARG CA C . 178.0 180.0 . . . A . 15 ASP CA . . A . 15 ASP C . . A . 16 ARG N . . A . 16 ARG CA . 1 . 15 ASP CA . . . 1 . 15 ASP C . . . 1 . 16 ARG N . . . 1 . 16 ARG CA . . rr_2mtx 1
16 . . 1 1 16 16 ARG CA C . . 1 1 16 16 ARG C C . . 1 1 17 17 TYR N N . . 1 1 17 17 TYR CA C . 178.0 180.0 . . . A . 16 ARG CA . . A . 16 ARG C . . A . 17 TYR N . . A . 17 TYR CA . 1 . 16 ARG CA . . . 1 . 16 ARG C . . . 1 . 17 TYR N . . . 1 . 17 TYR CA . . rr_2mtx 1
17 . . 1 1 17 17 TYR CA C . . 1 1 17 17 TYR C C . . 1 1 18 18 LYS N N . . 1 1 18 18 LYS CA C . 178.0 180.0 . . . A . 17 TYR CA . . A . 17 TYR C . . A . 18 LYS N . . A . 18 LYS CA . 1 . 17 TYR CA . . . 1 . 17 TYR C . . . 1 . 18 LYS N . . . 1 . 18 LYS CA . . rr_2mtx 1
18 . . 1 1 18 18 LYS CA C . . 1 1 18 18 LYS C C . . 1 1 19 19 SER N N . . 1 1 19 19 SER CA C . 178.0 180.0 . . . A . 18 LYS CA . . A . 18 LYS C . . A . 19 SER N . . A . 19 SER CA . 1 . 18 LYS CA . . . 1 . 18 LYS C . . . 1 . 19 SER N . . . 1 . 19 SER CA . . rr_2mtx 1
19 . . 1 1 19 19 SER CA C . . 1 1 19 19 SER C C . . 1 1 20 20 HIS N N . . 1 1 20 20 HIS CA C . 178.0 180.0 . . . A . 19 SER CA . . A . 19 SER C . . A . 20 HIS N . . A . 20 HIS CA . 1 . 19 SER CA . . . 1 . 19 SER C . . . 1 . 20 HIS N . . . 1 . 20 HIS CA . . rr_2mtx 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 NMR_dihedral 1 1 1 13 rr_2mtx 1
stop_
save_
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_2mtx
_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 PROTEIN BINDING 01-SEP-14 2MTX *TITLE PROTECTION AGAINST EXPERIMENTAL P. FALCIPARUM MALARIA IS ASSOCIATED *TITLE 2 WITH SHORT AMA-1 PEPTIDE ANALOGUE ALPHA-HELICAL STRUCTURES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: APICAL MEMBRANE ANTIGEN-1; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDUES 374-393; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; *SOURCE 4 ORGANISM_TAXID: 5833 *KEYWDS DOMAIN II OF AMA-1, PROTEIN BINDING *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR M.CUBILLOS, L.SALAZAR, L.TORRES, M.SANDOVAL, M.PATARROYO *REVDAT 1 04-FEB-15 2MTX 0"
save_
Contact the webmaster for help, if required. Tuesday, May 28, 2024 10:43:18 PM GMT (wattos1)