NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
375020 |
1evb   |
cing | 3-converted-DOCR | STAR | entry | full | 9 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1evb
# This DOCR archive file contains, for PDB entry <1evb>:
#
# - 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, W Vranken, C Penkett, J Lin, CF Schulte, G Vuister, G Vriend,
# JL Markley, EL Ulrich. BioMagResBank database `NMR Restraints Grid` with
# curated sets of experimental NMR restraints for over 4,000 protein and nucleic
# acid PDB entries. (in preparation)
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_1evb
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1evb"
_Entry.NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 1evb"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1evb
_Assembly.ID 1
_Assembly.Name 1evb
_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 1020.2539
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 "MICROCYSTIN LR" 1 $MICROCYSTIN_LR A . no . . . . . . rr_1evb 1
stop_
save_
save_MICROCYSTIN_LR
_Entity.Sf_category entity
_Entity.Sf_framecode MICROCYSTIN_LR
_Entity.Entry_ID rr_1evb
_Entity.ID 1
_Entity.Name MICROCYSTIN_LR
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code ALXRXXX
_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 7
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1020.2539
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 . DAL . rr_1evb 1
2 . LEU . rr_1evb 1
3 . ACB . rr_1evb 1
4 . ARG . rr_1evb 1
5 . ADD . rr_1evb 1
6 . . . rr_1evb 1
7 . . . rr_1evb 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
. DAL 1 1 rr_1evb 1
. LEU 2 2 rr_1evb 1
. ACB 3 3 rr_1evb 1
. ARG 4 4 rr_1evb 1
. ADD 5 5 rr_1evb 1
. . 6 6 rr_1evb 1
. . 7 7 rr_1evb 1
stop_
save_
save_chem_comp_DAL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DAL
_Chem_comp.Entry_ID rr_1evb
_Chem_comp.ID DAL
_Chem_comp.Name D-alanine
_Chem_comp.Type "L-peptide NH3 amino terminus"
_Chem_comp.PDB_code DAL
_Chem_comp.Std_deriv_one_letter_code A
_Chem_comp.Std_deriv_three_letter_code Ala
_Chem_comp.Std_deriv_PDB_code ALA
_Chem_comp.Std_deriv_chem_comp_name ALANINE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C3 H6 N O"
_Chem_comp.Formula_weight 72.0865
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
D-alanine name rr_1evb DAL
stop_
save_
save_chem_comp_ACB
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ACB
_Chem_comp.Entry_ID rr_1evb
_Chem_comp.ID ACB
_Chem_comp.Name "3-METHYL-ASPARTIC ACID"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code ACB
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C5 H9 N O4"
_Chem_comp.Formula_weight 147.1304
save_
save_chem_comp_ADD
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ADD
_Chem_comp.Entry_ID rr_1evb
_Chem_comp.ID ADD
_Chem_comp.Name "2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-9-METHOXYNONANOIC ACID"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code ADD
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic yes
_Chem_comp.Formula "C20 H33 N O3"
_Chem_comp.Formula_weight 335.4856
save_
save_chem_comp_ILG
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ILG
_Chem_comp.Entry_ID rr_1evb
_Chem_comp.ID 1
_Chem_comp.Name Ilg
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C5 H6 N O2"
_Chem_comp.Formula_weight 112.1079
save_
save_chem_comp_DAM
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DAM
_Chem_comp.Entry_ID rr_1evb
_Chem_comp.ID 2
_Chem_comp.Name Dam
_Chem_comp.Type "L-peptide COOH carboxy terminus"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C4 H5 N O"
_Chem_comp.Formula_weight 83.0896
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1evb
_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_1evb
_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_1evb 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_1evb 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 DAL C C 8.477 -1.252 8.207 . . . 1.0 . . . . . . . . . . . . A . 1 DAL C . . . . . . . . . rr_1evb 1
. 1 . 2 . 1 1 1 DAL CA C 8.669 0.056 8.936 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CA . . . . . . . . . rr_1evb 1
. 1 . 3 . 1 1 1 DAL CB C 8.403 1.190 8.044 . . . 1.0 . . . . . . . . . . . . A . 1 DAL CB . . . . . . . . . rr_1evb 1
. 1 . 4 . 1 1 1 DAL H2 H 6.983 -0.100 9.888 . . . 1.0 . . . . . . . . . . . . A . 1 DAL H2 . . . . . . . . . rr_1evb 1
. 1 . 5 . 1 1 1 DAL HA H 9.692 0.092 9.309 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HA . . . . . . . . . rr_1evb 1
. 1 . 6 . 1 1 1 DAL HB1 H 7.376 1.136 7.682 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB1 . . . . . . . . . rr_1evb 1
. 1 . 7 . 1 1 1 DAL HB2 H 8.547 2.123 8.588 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB2 . . . . . . . . . rr_1evb 1
. 1 . 8 . 1 1 1 DAL HB3 H 9.088 1.155 7.197 . . . 1.0 . . . . . . . . . . . . A . 1 DAL HB3 . . . . . . . . . rr_1evb 1
. 1 . 9 . 1 1 1 DAL N N 7.902 0.279 10.158 . . . 1.0 . . . . . . . . . . . . A . 1 DAL N . . . . . . . . . rr_1evb 1
. 1 . 10 . 1 1 1 DAL O O 9.081 -1.473 7.195 . . . 1.0 . . . . . . . . . . . . A . 1 DAL O . . . . . . . . . rr_1evb 1
. 1 . 11 . 1 1 2 LEU C C 6.113 -3.320 7.239 . . . 1.0 . . . . . . . . . . . . A . 2 LEU C . . . . . . . . . rr_1evb 1
. 1 . 12 . 1 1 2 LEU CA C 7.339 -3.447 8.112 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CA . . . . . . . . . rr_1evb 1
. 1 . 13 . 1 1 2 LEU CB C 7.145 -4.476 9.213 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CB . . . . . . . . . rr_1evb 1
. 1 . 14 . 1 1 2 LEU CD1 C 7.613 -5.133 11.554 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD1 . . . . . . . . . rr_1evb 1
. 1 . 15 . 1 1 2 LEU CD2 C 9.292 -4.947 10.051 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CD2 . . . . . . . . . rr_1evb 1
. 1 . 16 . 1 1 2 LEU CG C 8.050 -4.448 10.383 . . . 1.0 . . . . . . . . . . . . A . 2 LEU CG . . . . . . . . . rr_1evb 1
. 1 . 17 . 1 1 2 LEU H H 7.149 -1.898 9.574 . . . 1.0 . . . . . . . . . . . . A . 2 LEU H . . . . . . . . . rr_1evb 1
. 1 . 18 . 1 1 2 LEU HA H 8.170 -3.706 7.456 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HA . . . . . . . . . rr_1evb 1
. 1 . 19 . 1 1 2 LEU HB2 H 6.132 -4.329 9.587 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB2 . . . . . . . . . rr_1evb 1
. 1 . 20 . 1 1 2 LEU HB3 H 7.262 -5.450 8.739 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HB3 . . . . . . . . . rr_1evb 1
. 1 . 21 . 1 1 2 LEU HD11 H 6.631 -4.763 11.847 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD11 . . . . . . . . . rr_1evb 1
. 1 . 22 . 1 1 2 LEU HD12 H 7.552 -6.202 11.349 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD12 . . . . . . . . . rr_1evb 1
. 1 . 23 . 1 1 2 LEU HD13 H 8.323 -4.959 12.363 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD13 . . . . . . . . . rr_1evb 1
. 1 . 24 . 1 1 2 LEU HD21 H 9.659 -4.444 9.156 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD21 . . . . . . . . . rr_1evb 1
. 1 . 25 . 1 1 2 LEU HD22 H 9.985 -4.775 10.874 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD22 . . . . . . . . . rr_1evb 1
. 1 . 26 . 1 1 2 LEU HD23 H 9.214 -6.017 9.859 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HD23 . . . . . . . . . rr_1evb 1
. 1 . 27 . 1 1 2 LEU HG H 8.100 -3.386 10.625 . . . 1.0 . . . . . . . . . . . . A . 2 LEU HG . . . . . . . . . rr_1evb 1
. 1 . 28 . 1 1 2 LEU N N 7.636 -2.143 8.700 . . . 1.0 . . . . . . . . . . . . A . 2 LEU N . . . . . . . . . rr_1evb 1
. 1 . 29 . 1 1 2 LEU O O 6.086 -3.792 6.122 . . . 1.0 . . . . . . . . . . . . A . 2 LEU O . . . . . . . . . rr_1evb 1
. 1 . 30 . 1 1 3 ACB C C 2.762 -0.196 7.667 . . . 1.0 . . . . . . . . . . . . A . 3 ACB C . . . . . . . . . rr_1evb 1
. 1 . 31 . 1 1 3 ACB C1 C 2.638 -3.270 7.687 . . . 1.0 . . . . . . . . . . . . A . 3 ACB C1 . . . . . . . . . rr_1evb 1
. 1 . 32 . 1 1 3 ACB C2 C 3.808 -2.461 7.080 . . . 1.0 . . . . . . . . . . . . A . 3 ACB C2 . . . . . . . . . rr_1evb 1
. 1 . 33 . 1 1 3 ACB C3 C 3.477 -1.052 6.649 . . . 1.0 . . . . . . . . . . . . A . 3 ACB C3 . . . . . . . . . rr_1evb 1
. 1 . 34 . 1 1 3 ACB C4 C 4.692 -0.322 6.099 . . . 1.0 . . . . . . . . . . . . A . 3 ACB C4 . . . . . . . . . rr_1evb 1
. 1 . 35 . 1 1 3 ACB H2 H 4.151 -3.012 6.204 . . . 1.0 . . . . . . . . . . . . A . 3 ACB H2 . . . . . . . . . rr_1evb 1
. 1 . 36 . 1 1 3 ACB H3 H 2.676 -1.129 5.913 . . . 1.0 . . . . . . . . . . . . A . 3 ACB H3 . . . . . . . . . rr_1evb 1
. 1 . 37 . 1 1 3 ACB H41 H 5.078 -0.859 5.233 . . . 1.0 . . . . . . . . . . . . A . 3 ACB H41 . . . . . . . . . rr_1evb 1
. 1 . 38 . 1 1 3 ACB H42 H 4.406 0.687 5.803 . . . 1.0 . . . . . . . . . . . . A . 3 ACB H42 . . . . . . . . . rr_1evb 1
. 1 . 39 . 1 1 3 ACB H43 H 5.463 -0.270 6.868 . . . 1.0 . . . . . . . . . . . . A . 3 ACB H43 . . . . . . . . . rr_1evb 1
. 1 . 40 . 1 1 3 ACB HN21 H 5.186 -2.307 8.717 . . . 1.0 . . . . . . . . . . . . A . 3 ACB HN21 . . . . . . . . . rr_1evb 1
. 1 . 41 . 1 1 3 ACB N2 N 5.084 -2.679 7.762 . . . 1.0 . . . . . . . . . . . . A . 3 ACB N2 . . . . . . . . . rr_1evb 1
. 1 . 42 . 1 1 3 ACB O O 3.126 -0.166 8.827 . . . 1.0 . . . . . . . . . . . . A . 3 ACB O . . . . . . . . . rr_1evb 1
. 1 . 43 . 1 1 3 ACB O1 O 1.684 -3.577 6.970 . . . 1.0 . . . . . . . . . . . . A . 3 ACB O1 . . . . . . . . . rr_1evb 1
. 1 . 44 . 1 1 3 ACB O2 O 2.629 -3.590 8.878 . . . 1.0 . . . . . . . . . . . . A . 3 ACB O2 . . . . . . . . . rr_1evb 1
. 1 . 45 . 1 1 4 ARG C C -0.394 0.636 8.454 . . . 1.0 . . . . . . . . . . . . A . 4 ARG C . . . . . . . . . rr_1evb 1
. 1 . 46 . 1 1 4 ARG CA C 0.887 1.339 8.072 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CA . . . . . . . . . rr_1evb 1
. 1 . 47 . 1 1 4 ARG CB C 0.409 2.640 7.423 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CB . . . . . . . . . rr_1evb 1
. 1 . 48 . 1 1 4 ARG CD C 1.419 4.263 5.808 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CD . . . . . . . . . rr_1evb 1
. 1 . 49 . 1 1 4 ARG CG C 1.574 3.390 6.951 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CG . . . . . . . . . rr_1evb 1
. 1 . 50 . 1 1 4 ARG CZ C 1.257 6.582 5.220 . . . 1.0 . . . . . . . . . . . . A . 4 ARG CZ . . . . . . . . . rr_1evb 1
. 1 . 51 . 1 1 4 ARG H H 1.517 0.461 6.219 . . . 1.0 . . . . . . . . . . . . A . 4 ARG H . . . . . . . . . rr_1evb 1
. 1 . 52 . 1 1 4 ARG HA H 1.465 1.491 8.983 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HA . . . . . . . . . rr_1evb 1
. 1 . 53 . 1 1 4 ARG HB2 H -0.280 2.412 6.589 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB2 . . . . . . . . . rr_1evb 1
. 1 . 54 . 1 1 4 ARG HB3 H -0.105 3.273 8.166 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HB3 . . . . . . . . . rr_1evb 1
. 1 . 55 . 1 1 4 ARG HD2 H 2.465 4.310 5.492 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD2 . . . . . . . . . rr_1evb 1
. 1 . 56 . 1 1 4 ARG HD3 H 0.762 3.817 5.048 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HD3 . . . . . . . . . rr_1evb 1
. 1 . 57 . 1 1 4 ARG HE H 1.232 5.887 7.093 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HE . . . . . . . . . rr_1evb 1
. 1 . 58 . 1 1 4 ARG HG2 H 2.139 3.804 7.791 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG2 . . . . . . . . . rr_1evb 1
. 1 . 59 . 1 1 4 ARG HG3 H 2.161 2.650 6.410 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HG3 . . . . . . . . . rr_1evb 1
. 1 . 60 . 1 1 4 ARG HH11 H 1.194 5.423 3.582 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH11 . . . . . . . . . rr_1evb 1
. 1 . 61 . 1 1 4 ARG HH12 H 1.422 7.220 3.308 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH12 . . . . . . . . . rr_1evb 1
. 1 . 62 . 1 1 4 ARG HH21 H 1.358 7.955 6.670 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH21 . . . . . . . . . rr_1evb 1
. 1 . 63 . 1 1 4 ARG HH22 H 1.507 8.542 4.941 . . . 1.0 . . . . . . . . . . . . A . 4 ARG HH22 . . . . . . . . . rr_1evb 1
. 1 . 64 . 1 1 4 ARG N N 1.734 0.505 7.225 . . . 1.0 . . . . . . . . . . . . A . 4 ARG N . . . . . . . . . rr_1evb 1
. 1 . 65 . 1 1 4 ARG NE N 1.108 5.614 6.121 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NE . . . . . . . . . rr_1evb 1
. 1 . 66 . 1 1 4 ARG NH1 N 1.289 6.393 3.899 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH1 . . . . . . . . . rr_1evb 1
. 1 . 67 . 1 1 4 ARG NH2 N 1.376 7.818 5.654 . . . 1.0 . . . . . . . . . . . . A . 4 ARG NH2 . . . . . . . . . rr_1evb 1
. 1 . 68 . 1 1 4 ARG O O -1.215 1.224 8.997 . . . 1.0 . . . . . . . . . . . . A . 4 ARG O . . . . . . . . . rr_1evb 1
. 1 . 69 . 1 1 5 ADD C' C -8.235 -2.562 3.696 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C' . . . . . . . . . rr_1evb 1
. 1 . 70 . 1 1 5 ADD C1 C -0.688 -2.282 10.737 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C1 . . . . . . . . . rr_1evb 1
. 1 . 71 . 1 1 5 ADD C1' C -9.721 -2.642 3.543 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C1' . . . . . . . . . rr_1evb 1
. 1 . 72 . 1 1 5 ADD C2 C -1.286 -2.678 9.420 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C2 . . . . . . . . . rr_1evb 1
. 1 . 73 . 1 1 5 ADD C2' C -10.572 -2.909 4.623 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C2' . . . . . . . . . rr_1evb 1
. 1 . 74 . 1 1 5 ADD C3 C -1.686 -1.492 8.575 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C3 . . . . . . . . . rr_1evb 1
. 1 . 75 . 1 1 5 ADD C3' C -11.938 -3.096 4.415 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C3' . . . . . . . . . rr_1evb 1
. 1 . 76 . 1 1 5 ADD C4 C -2.443 -1.801 7.387 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C4 . . . . . . . . . rr_1evb 1
. 1 . 77 . 1 1 5 ADD C4' C -12.463 -3.034 3.126 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C4' . . . . . . . . . rr_1evb 1
. 1 . 78 . 1 1 5 ADD C5 C -3.604 -1.220 7.099 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C5 . . . . . . . . . rr_1evb 1
. 1 . 79 . 1 1 5 ADD C5' C -11.629 -2.780 2.044 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C5' . . . . . . . . . rr_1evb 1
. 1 . 80 . 1 1 5 ADD C6 C -4.314 -1.662 6.073 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C6 . . . . . . . . . rr_1evb 1
. 1 . 81 . 1 1 5 ADD C6' C -10.268 -2.589 2.249 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C6' . . . . . . . . . rr_1evb 1
. 1 . 82 . 1 1 5 ADD C7 C -5.413 -1.030 5.680 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C7 . . . . . . . . . rr_1evb 1
. 1 . 83 . 1 1 5 ADD C8 C -6.180 -1.516 4.474 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C8 . . . . . . . . . rr_1evb 1
. 1 . 84 . 1 1 5 ADD C9 C -7.620 -1.650 4.748 . . . 1.0 . . . . . . . . . . . . A . 5 ADD C9 . . . . . . . . . rr_1evb 1
. 1 . 85 . 1 1 5 ADD CM2 C -2.361 -3.729 9.581 . . . 1.0 . . . . . . . . . . . . A . 5 ADD CM2 . . . . . . . . . rr_1evb 1
. 1 . 86 . 1 1 5 ADD CM6 C -4.003 -2.887 5.274 . . . 1.0 . . . . . . . . . . . . A . 5 ADD CM6 . . . . . . . . . rr_1evb 1
. 1 . 87 . 1 1 5 ADD CM8 C -5.678 -0.886 3.213 . . . 1.0 . . . . . . . . . . . . A . 5 ADD CM8 . . . . . . . . . rr_1evb 1
. 1 . 88 . 1 1 5 ADD CM9 C -8.227 0.328 3.671 . . . 1.0 . . . . . . . . . . . . A . 5 ADD CM9 . . . . . . . . . rr_1evb 1
. 1 . 89 . 1 1 5 ADD H'1 H -7.853 -2.216 2.730 . . . 1.0 . . . . . . . . . . . . A . 5 ADD H'1 . . . . . . . . . rr_1evb 1
. 1 . 90 . 1 1 5 ADD H'2 H -7.759 -3.534 3.842 . . . 1.0 . . . . . . . . . . . . A . 5 ADD H'2 . . . . . . . . . rr_1evb 1
. 1 . 91 . 1 1 5 ADD H2 H -0.423 -3.143 8.945 . . . 1.0 . . . . . . . . . . . . A . 5 ADD H2 . . . . . . . . . rr_1evb 1
. 1 . 92 . 1 1 5 ADD H2' H -10.177 -2.989 5.626 . . . 1.0 . . . . . . . . . . . . A . 5 ADD H2' . . . . . . . . . rr_1evb 1
. 1 . 93 . 1 1 5 ADD H3 H -2.224 -0.795 9.217 . . . 1.0 . . . . . . . . . . . . A . 5 ADD H3 . . . . . . . . . rr_1evb 1
. 1 . 94 . 1 1 5 ADD H3' H -12.591 -3.306 5.249 . . . 1.0 . . . . . . . . . . . . A . 5 ADD H3' . . . . . . . . . rr_1evb 1
. 1 . 95 . 1 1 5 ADD H4' H -13.519 -3.194 2.960 . . . 1.0 . . . . . . . . . . . . A . 5 ADD H4' . . . . . . . . . rr_1evb 1
. 1 . 96 . 1 1 5 ADD H41 H -1.976 -2.577 6.788 . . . 1.0 . . . . . . . . . . . . A . 5 ADD H41 . . . . . . . . . rr_1evb 1
. 1 . 97 . 1 1 5 ADD H5' H -12.031 -2.750 1.041 . . . 1.0 . . . . . . . . . . . . A . 5 ADD H5' . . . . . . . . . rr_1evb 1
. 1 . 98 . 1 1 5 ADD H51 H -3.961 -0.389 7.714 . . . 1.0 . . . . . . . . . . . . A . 5 ADD H51 . . . . . . . . . rr_1evb 1
. 1 . 99 . 1 1 5 ADD H6' H -9.638 -2.422 1.385 . . . 1.0 . . . . . . . . . . . . A . 5 ADD H6' . . . . . . . . . rr_1evb 1
. 1 . 100 . 1 1 5 ADD H71 H -5.765 -0.141 6.192 . . . 1.0 . . . . . . . . . . . . A . 5 ADD H71 . . . . . . . . . rr_1evb 1
. 1 . 101 . 1 1 5 ADD H8 H -5.999 -2.559 4.220 . . . 1.0 . . . . . . . . . . . . A . 5 ADD H8 . . . . . . . . . rr_1evb 1
. 1 . 102 . 1 1 5 ADD H9 H -7.727 -2.078 5.742 . . . 1.0 . . . . . . . . . . . . A . 5 ADD H9 . . . . . . . . . rr_1evb 1
. 1 . 103 . 1 1 5 ADD HM21 H -2.638 -4.120 8.602 . . . 1.0 . . . . . . . . . . . . A . 5 ADD HM21 . . . . . . . . . rr_1evb 1
. 1 . 104 . 1 1 5 ADD HM22 H -1.985 -4.542 10.202 . . . 1.0 . . . . . . . . . . . . A . 5 ADD HM22 . . . . . . . . . rr_1evb 1
. 1 . 105 . 1 1 5 ADD HM23 H -3.236 -3.285 10.055 . . . 1.0 . . . . . . . . . . . . A . 5 ADD HM23 . . . . . . . . . rr_1evb 1
. 1 . 106 . 1 1 5 ADD HM61 H -4.881 -3.543 5.436 . . . 1.0 . . . . . . . . . . . . A . 5 ADD HM61 . . . . . . . . . rr_1evb 1
. 1 . 107 . 1 1 5 ADD HM62 H -3.927 -2.526 4.238 . . . 1.0 . . . . . . . . . . . . A . 5 ADD HM62 . . . . . . . . . rr_1evb 1
. 1 . 108 . 1 1 5 ADD HM63 H -3.118 -3.447 5.463 . . . 1.0 . . . . . . . . . . . . A . 5 ADD HM63 . . . . . . . . . rr_1evb 1
. 1 . 109 . 1 1 5 ADD HM81 H -4.770 -1.353 2.856 . . . 1.0 . . . . . . . . . . . . A . 5 ADD HM81 . . . . . . . . . rr_1evb 1
. 1 . 110 . 1 1 5 ADD HM82 H -6.411 -1.040 2.426 . . . 1.0 . . . . . . . . . . . . A . 5 ADD HM82 . . . . . . . . . rr_1evb 1
. 1 . 111 . 1 1 5 ADD HM83 H -5.536 0.183 3.375 . . . 1.0 . . . . . . . . . . . . A . 5 ADD HM83 . . . . . . . . . rr_1evb 1
. 1 . 112 . 1 1 5 ADD HM91 H -7.314 0.930 3.616 . . . 1.0 . . . . . . . . . . . . A . 5 ADD HM91 . . . . . . . . . rr_1evb 1
. 1 . 113 . 1 1 5 ADD HM92 H -8.313 -0.276 2.745 . . . 1.0 . . . . . . . . . . . . A . 5 ADD HM92 . . . . . . . . . rr_1evb 1
. 1 . 114 . 1 1 5 ADD HM93 H -9.103 0.893 3.836 . . . 1.0 . . . . . . . . . . . . A . 5 ADD HM93 . . . . . . . . . rr_1evb 1
. 1 . 115 . 1 1 5 ADD HN31 H 0.223 -1.116 7.701 . . . 1.0 . . . . . . . . . . . . A . 5 ADD HN31 . . . . . . . . . rr_1evb 1
. 1 . 116 . 1 1 5 ADD N3 N -0.545 -0.652 8.207 . . . 1.0 . . . . . . . . . . . . A . 5 ADD N3 . . . . . . . . . rr_1evb 1
. 1 . 117 . 1 1 5 ADD O1 O -1.375 -1.968 11.674 . . . 1.0 . . . . . . . . . . . . A . 5 ADD O1 . . . . . . . . . rr_1evb 1
. 1 . 118 . 1 1 5 ADD O9 O -8.185 -0.418 4.832 . . . 1.0 . . . . . . . . . . . . A . 5 ADD O9 . . . . . . . . . rr_1evb 1
. 1 . 119 . 1 1 6 . C C 1.081 -2.956 13.154 . . . 1.0 . . . . . . . . . . . . A . 6 ILG C . . . . . . . . . rr_1evb 1
. 1 . 120 . 1 1 6 . CA C 1.396 -1.957 12.005 . . . 1.0 . . . . . . . . . . . . A . 6 ILG CA . . . . . . . . . rr_1evb 1
. 1 . 121 . 1 1 6 . CB C 2.898 -1.804 11.830 . . . 1.0 . . . . . . . . . . . . A . 6 ILG CB . . . . . . . . . rr_1evb 1
. 1 . 122 . 1 1 6 . CD C 4.383 -0.161 12.741 . . . 1.0 . . . . . . . . . . . . A . 6 ILG CD . . . . . . . . . rr_1evb 1
. 1 . 123 . 1 1 6 . CG C 3.146 -0.983 13.061 . . . 1.0 . . . . . . . . . . . . A . 6 ILG CG . . . . . . . . . rr_1evb 1
. 1 . 124 . 1 1 6 . H H 1.154 -2.574 9.966 . . . 1.0 . . . . . . . . . . . . A . 6 ILG H . . . . . . . . . rr_1evb 1
. 1 . 125 . 1 1 6 . HA H 0.926 -1.011 12.276 . . . 1.0 . . . . . . . . . . . . A . 6 ILG HA . . . . . . . . . rr_1evb 1
. 1 . 126 . 1 1 6 . HB2 H 3.282 -2.816 11.961 . . . 1.0 . . . . . . . . . . . . A . 6 ILG HB2 . . . . . . . . . rr_1evb 1
. 1 . 127 . 1 1 6 . HB3 H 3.008 -1.435 10.810 . . . 1.0 . . . . . . . . . . . . A . 6 ILG HB3 . . . . . . . . . rr_1evb 1
. 1 . 128 . 1 1 6 . HG2 H 3.526 -1.657 13.828 . . . 1.0 . . . . . . . . . . . . A . 6 ILG HG2 . . . . . . . . . rr_1evb 1
. 1 . 129 . 1 1 6 . HG3 H 2.466 -0.216 13.431 . . . 1.0 . . . . . . . . . . . . A . 6 ILG HG3 . . . . . . . . . rr_1evb 1
. 1 . 130 . 1 1 6 . N N 0.630 -2.300 10.810 . . . 1.0 . . . . . . . . . . . . A . 6 ILG N . . . . . . . . . rr_1evb 1
. 1 . 131 . 1 1 6 . O O 1.220 -4.169 12.983 . . . 1.0 . . . . . . . . . . . . A . 6 ILG O . . . . . . . . . rr_1evb 1
. 1 . 132 . 1 1 6 . OE1 O 3.772 0.502 11.948 . . . 1.0 . . . . . . . . . . . . A . 6 ILG OE1 . . . . . . . . . rr_1evb 1
. 1 . 133 . 1 1 7 . C C 7.662 0.668 11.397 . . . 1.0 . . . . . . . . . . . . A . 7 DAM C . . . . . . . . . rr_1evb 1
. 1 . 134 . 1 1 7 . CA C 6.832 0.901 12.649 . . . 1.0 . . . . . . . . . . . . A . 7 DAM CA . . . . . . . . . rr_1evb 1
. 1 . 135 . 1 1 7 . CB C 7.130 1.741 13.420 . . . 1.0 . . . . . . . . . . . . A . 7 DAM CB . . . . . . . . . rr_1evb 1
. 1 . 136 . 1 1 7 . CM C 5.803 -0.944 13.971 . . . 1.0 . . . . . . . . . . . . A . 7 DAM CM . . . . . . . . . rr_1evb 1
. 1 . 137 . 1 1 7 . HB1 H 7.997 2.373 13.229 . . . 1.0 . . . . . . . . . . . . A . 7 DAM HB1 . . . . . . . . . rr_1evb 1
. 1 . 138 . 1 1 7 . HB2 H 6.538 1.887 14.324 . . . 1.0 . . . . . . . . . . . . A . 7 DAM HB2 . . . . . . . . . rr_1evb 1
. 1 . 139 . 1 1 7 . HM1 H 6.078 -0.488 14.922 . . . 1.0 . . . . . . . . . . . . A . 7 DAM HM1 . . . . . . . . . rr_1evb 1
. 1 . 140 . 1 1 7 . HM2 H 4.858 -1.476 14.083 . . . 1.0 . . . . . . . . . . . . A . 7 DAM HM2 . . . . . . . . . rr_1evb 1
. 1 . 141 . 1 1 7 . HM3 H 6.580 -1.645 13.667 . . . 1.0 . . . . . . . . . . . . A . 7 DAM HM3 . . . . . . . . . rr_1evb 1
. 1 . 142 . 1 1 7 . N N 5.660 0.088 12.963 . . . 1.0 . . . . . . . . . . . . A . 7 DAM N . . . . . . . . . rr_1evb 1
. 1 . 143 . 1 1 7 . O O 8.531 1.185 12.043 . . . 1.0 . . . . . . . . . . . . A . 7 DAM O . . . . . . . . . rr_1evb 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_1evb
_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 1evb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1evb 1
1 1evb.mr . . DISCOVER 2 distance NOE simple 87 rr_1evb 1
1 1evb.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1evb 1
1 1evb.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 4 rr_1evb 1
1 1evb.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1evb 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_1evb
_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: '1evb'" . . . . distance "general distance" . 9 rr_1evb 1
2 "From CCPN project: '1evb'" . . . . "dihedral angle" "Not applicable" . 0 rr_1evb 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 1evb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1evb 1
1 1evb.mr . . DISCOVER 2 distance NOE simple 87 rr_1evb 1
1 1evb.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1evb 1
1 1evb.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 4 rr_1evb 1
1 1evb.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1evb 1
stop_
save_
save_Discover_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1evb
_Gen_dist_constraint_list.ID 1
_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 2
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_1evb 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 OR . 1 1 2 2 LEU HA H . . . 1 1 2 2 LEU MD1 H . . . . . 2.7 -1.0 5.1 . . . . . A . 2 LEU HA . . A . 2 LEU MD1 . 1 . 2 LEU HA . . . 1 . 2 LEU HD* . . rr_1evb 1
1 2 OR . 1 1 2 2 LEU MD2 H . . . 1 1 2 2 LEU HA H . . . . . 2.7 -1.0 5.1 . . . . . A . 2 LEU HA . . A . 2 LEU MD2 . 1 . 2 LEU HA . . . 1 . 2 LEU HD* . . rr_1evb 1
2 1 OR . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG HB2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 4 ARG HA . . A . 4 ARG HB2 . 1 . 4 ARG+ HA . . . 1 . 4 ARG+ HB* . . rr_1evb 1
2 2 OR . 1 1 4 4 ARG HA H . . . 1 1 4 4 ARG HB3 H . . . . . 2.7 -1.0 3.7 . . . . . A . 4 ARG HA . . A . 4 ARG HB3 . 1 . 4 ARG+ HA . . . 1 . 4 ARG+ HB* . . rr_1evb 1
3 1 OR . 1 1 4 4 ARG HB3 H . . . 1 1 4 4 ARG HD2 H . . . . . 3.3 -1.0 5.3 . . . . . A . 4 ARG HD2 . . A . 4 ARG HB3 . 1 . 4 ARG+ HD* . . . 1 . 4 ARG+ HB* . . rr_1evb 1
3 2 OR . 1 1 4 4 ARG HB2 H . . . 1 1 4 4 ARG HD2 H . . . . . 3.3 -1.0 5.3 . . . . . A . 4 ARG HD2 . . A . 4 ARG HB2 . 1 . 4 ARG+ HD* . . . 1 . 4 ARG+ HB* . . rr_1evb 1
3 3 OR . 1 1 4 4 ARG HD3 H . . . 1 1 4 4 ARG HB2 H . . . . . 3.3 -1.0 5.3 . . . . . A . 4 ARG HD3 . . A . 4 ARG HB2 . 1 . 4 ARG+ HD* . . . 1 . 4 ARG+ HB* . . rr_1evb 1
3 4 OR . 1 1 4 4 ARG HB3 H . . . 1 1 4 4 ARG HD3 H . . . . . 3.3 -1.0 5.3 . . . . . A . 4 ARG HD3 . . A . 4 ARG HB3 . 1 . 4 ARG+ HD* . . . 1 . 4 ARG+ HB* . . rr_1evb 1
4 1 OR . 1 1 2 2 LEU HG H . . . 1 1 2 2 LEU HB2 H . . . . . 2.7 -1.0 3.7 . . . . . A . 2 LEU HB2 . . A . 2 LEU HG . 1 . 2 LEU HB* . . . 1 . 2 LEU HG . . rr_1evb 1
4 2 OR . 1 1 2 2 LEU HB3 H . . . 1 1 2 2 LEU HG H . . . . . 2.7 -1.0 3.7 . . . . . A . 2 LEU HB3 . . A . 2 LEU HG . 1 . 2 LEU HB* . . . 1 . 2 LEU HG . . rr_1evb 1
5 1 OR . 1 1 2 2 LEU HB2 H . . . 1 1 2 2 LEU MD1 H . . . . . 3.3 -1.0 6.7 . . . . . A . 2 LEU HB2 . . A . 2 LEU MD1 . 1 . 2 LEU HB* . . . 1 . 2 LEU HD* . . rr_1evb 1
5 2 OR . 1 1 2 2 LEU HB3 H . . . 1 1 2 2 LEU MD1 H . . . . . 3.3 -1.0 6.7 . . . . . A . 2 LEU HB3 . . A . 2 LEU MD1 . 1 . 2 LEU HB* . . . 1 . 2 LEU HD* . . rr_1evb 1
5 3 OR . 1 1 2 2 LEU MD2 H . . . 1 1 2 2 LEU HB2 H . . . . . 3.3 -1.0 6.7 . . . . . A . 2 LEU HB2 . . A . 2 LEU MD2 . 1 . 2 LEU HB* . . . 1 . 2 LEU HD* . . rr_1evb 1
5 4 OR . 1 1 2 2 LEU HB3 H . . . 1 1 2 2 LEU MD2 H . . . . . 3.3 -1.0 6.7 . . . . . A . 2 LEU HB3 . . A . 2 LEU MD2 . 1 . 2 LEU HB* . . . 1 . 2 LEU HD* . . rr_1evb 1
6 1 OR . 1 1 2 2 LEU HG H . . . 1 1 2 2 LEU MD1 H . . . . . 2.7 -1.0 5.1 . . . . . A . 2 LEU HG . . A . 2 LEU MD1 . 1 . 2 LEU HG . . . 1 . 2 LEU HD* . . rr_1evb 1
6 2 OR . 1 1 2 2 LEU HG H . . . 1 1 2 2 LEU MD2 H . . . . . 2.7 -1.0 5.1 . . . . . A . 2 LEU HG . . A . 2 LEU MD2 . 1 . 2 LEU HG . . . 1 . 2 LEU HD* . . rr_1evb 1
7 1 . . 1 1 1 1 DAL HA H . . . 1 1 1 1 DAL HB1 H . . . . . 5.0 -1.0 6.5 . . . . . A . 1 DAL HA . . A . 1 DAL HB1 . 1 . 1 ALA HA . . . 1 . 1 ALA HB* . . rr_1evb 1
8 1 OR . 1 1 2 2 LEU HA H . . . 1 1 2 2 LEU HB2 H . . . . . 5.0 -1.0 6.0 . . . . . A . 2 LEU HA . . A . 2 LEU HB2 . 1 . 2 LEU HA . . . 1 . 2 LEU HB* . . rr_1evb 1
8 2 OR . 1 1 2 2 LEU HB3 H . . . 1 1 2 2 LEU HA H . . . . . 5.0 -1.0 6.0 . . . . . A . 2 LEU HA . . A . 2 LEU HB3 . 1 . 2 LEU HA . . . 1 . 2 LEU HB* . . rr_1evb 1
9 1 . . 1 1 2 2 LEU HG H . . . 1 1 2 2 LEU HA H . . . . . 5.0 -1.0 5.0 . . . . . A . 2 LEU HA . . A . 2 LEU HG . 1 . 2 LEU HA . . . 1 . 2 LEU HG . . rr_1evb 1
stop_
loop_
_Gen_dist_constraint_conv_err.ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID
_Gen_dist_constraint_conv_err.Parse_file_constraint_ID
_Gen_dist_constraint_conv_err.Conv_error_type
_Gen_dist_constraint_conv_err.Conv_error_note
_Gen_dist_constraint_conv_err.Entry_ID
_Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) '1.4.HN' (nmrStar names),'1.5.HN' (nmrStar names) not linked" rr_1evb 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) '1.4.HN' (nmrStar names),'1.3.HB' (nmrStar names) not linked" rr_1evb 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) '1.4.HN' (nmrStar names),'1.3.HG*' (nmrStar names) not linked" rr_1evb 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) '1.2.HN' (nmrStar names),'1.3.HN' (nmrStar names) not linked" rr_1evb 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
7 2 6 1 "Not handling restraint 6, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
8 2 7 1 "Not handling restraint 7, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
9 2 8 1 "Not handling restraint 8, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
10 2 9 1 "Not handling restraint 9, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
11 2 9 1 "Not handling restraint 9, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
12 2 10 1 "Not handling restraint 10, item 1, resonance(s) '1.1.HN' (nmrStar names),'1.7.HM*' (nmrStar names) not linked" rr_1evb 1
13 2 11 1 "Not handling restraint 11, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_1evb 1
14 2 12 1 "Not handling restraint 12, item 1, resonance(s) '1.6.HN' (nmrStar names) not linked" rr_1evb 1
15 2 13 1 "Not handling restraint 13, item 1, resonance(s) '1.6.HN' (nmrStar names),'1.5.H1' (nmrStar names) not linked" rr_1evb 1
16 2 14 1 "Not handling restraint 14, item 1, resonance(s) '1.6.HN' (nmrStar names),'1.6.HG*' (nmrStar names) not linked" rr_1evb 1
17 2 15 1 "Not handling restraint 15, item 1, resonance(s) '1.6.HN' (nmrStar names),'1.6.HB*' (nmrStar names) not linked" rr_1evb 1
18 2 16 1 "Not handling restraint 16, item 1, resonance(s) '1.6.HN' (nmrStar names) not linked" rr_1evb 1
19 2 17 1 "Not handling restraint 17, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.5.HG' (nmrStar names) not linked" rr_1evb 1
20 2 18 1 "Not handling restraint 18, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.5.HB' (nmrStar names) not linked" rr_1evb 1
21 2 19 1 "Not handling restraint 19, item 1, resonance(s) '1.5.HN' (nmrStar names) not linked" rr_1evb 1
22 2 20 1 "Not handling restraint 20, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.3.HB' (nmrStar names) not linked" rr_1evb 1
23 2 21 1 "Not handling restraint 21, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.5.H1' (nmrStar names) not linked" rr_1evb 1
24 2 22 1 "Not handling restraint 22, item 1, resonance(s) '1.3.HN' (nmrStar names) not linked" rr_1evb 1
25 2 23 1 "Not handling restraint 23, item 1, resonance(s) '1.3.HB' (nmrStar names),'1.3.HN' (nmrStar names) not linked" rr_1evb 1
26 2 24 1 "Not handling restraint 24, item 1, resonance(s) '1.3.HN' (nmrStar names) not linked" rr_1evb 1
27 2 24 1 "Not handling restraint 24, item 1, resonance(s) '1.3.HN' (nmrStar names) not linked" rr_1evb 1
28 2 25 1 "Not handling restraint 25, item 1, resonance(s) '1.3.HN' (nmrStar names) not linked" rr_1evb 1
29 2 26 1 "Not handling restraint 26, item 1, resonance(s) '1.3.HG*' (nmrStar names),'1.3.HN' (nmrStar names) not linked" rr_1evb 1
30 2 27 1 "Not handling restraint 27, item 1, resonance(s) '1.5.HG' (nmrStar names),'1.5.HA' (nmrStar names) not linked" rr_1evb 1
31 2 28 1 "Not handling restraint 28, item 1, resonance(s) '1.5.H1' (nmrStar names),'1.5.HG' (nmrStar names) not linked" rr_1evb 1
32 2 29 1 "Not handling restraint 29, item 1, resonance(s) '1.5.HG' (nmrStar names) not linked" rr_1evb 1
33 2 29 1 "Not handling restraint 29, item 1, resonance(s) '1.5.HG' (nmrStar names) not linked" rr_1evb 1
34 2 30 1 "Not handling restraint 30, item 1, resonance(s) '1.5.HG' (nmrStar names) not linked" rr_1evb 1
35 2 31 1 "Not handling restraint 31, item 1, resonance(s) '1.7.HM*' (nmrStar names),'1.7.HB*' (nmrStar names) not linked" rr_1evb 1
36 2 32 1 "Not handling restraint 32, item 1, resonance(s) '1.5.HE' (nmrStar names),'1.5.HH' (nmrStar names) not linked" rr_1evb 1
37 2 33 1 "Not handling restraint 33, item 1, resonance(s) '1.3.HB' (nmrStar names),'1.3.HA' (nmrStar names) not linked" rr_1evb 1
38 2 36 1 "Not handling restraint 36, item 1, resonance(s) '1.6.HG*' (nmrStar names),'1.6.HA' (nmrStar names) not linked" rr_1evb 1
39 2 37 1 "Not handling restraint 37, item 1, resonance(s) '1.6.HB*' (nmrStar names),'1.6.HA' (nmrStar names) not linked" rr_1evb 1
40 2 38 1 "Not handling restraint 38, item 1, resonance(s) '1.5.HH' (nmrStar names) not linked" rr_1evb 1
41 2 38 1 "Not handling restraint 38, item 1, resonance(s) '1.5.HH' (nmrStar names) not linked" rr_1evb 1
42 2 39 1 "Not handling restraint 39, item 1, resonance(s) '1.5.HH' (nmrStar names),'1.5.HI*' (nmrStar names) not linked" rr_1evb 1
43 2 40 1 "Not handling restraint 40, item 1, resonance(s) '1.5.HH' (nmrStar names) not linked" rr_1evb 1
44 2 40 1 "Not handling restraint 40, item 1, resonance(s) '1.5.HH' (nmrStar names) not linked" rr_1evb 1
45 2 41 1 "Not handling restraint 41, item 1, resonance(s) '1.7.HM*' (nmrStar names),'1.6.HG*' (nmrStar names) not linked" rr_1evb 1
46 2 42 1 "Not handling restraint 42, item 1, resonance(s) '1.3.HB' (nmrStar names),'1.3.HG*' (nmrStar names) not linked" rr_1evb 1
47 2 44 1 "Not handling restraint 44, item 1, resonance(s) '1.5.HI*' (nmrStar names) not linked" rr_1evb 1
48 2 44 1 "Not handling restraint 44, item 1, resonance(s) '1.5.HI*' (nmrStar names) not linked" rr_1evb 1
49 2 45 1 "Not handling restraint 45, item 1, resonance(s) '1.6.HG*' (nmrStar names),'1.6.HB*' (nmrStar names) not linked" rr_1evb 1
50 2 46 1 "Not handling restraint 46, item 1, resonance(s) '1.5.HF' (nmrStar names) not linked" rr_1evb 1
51 2 46 1 "Not handling restraint 46, item 1, resonance(s) '1.5.HF' (nmrStar names) not linked" rr_1evb 1
52 2 50 1 "Not handling restraint 50, item 1, resonance(s) '1.2.HN' (nmrStar names),'1.1.HN' (nmrStar names) not linked" rr_1evb 1
53 2 51 1 "Not handling restraint 51, item 1, resonance(s) '1.4.HN' (nmrStar names),'1.3.HA' (nmrStar names) not linked" rr_1evb 1
54 2 52 1 "Not handling restraint 52, item 1, resonance(s) '1.4.HN' (nmrStar names) not linked" rr_1evb 1
55 2 52 1 "Not handling restraint 52, item 1, resonance(s) '1.4.HN' (nmrStar names) not linked" rr_1evb 1
56 2 53 1 "Not handling restraint 53, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.6.HN' (nmrStar names) not linked" rr_1evb 1
57 2 54 1 "Not handling restraint 54, item 1, resonance(s) '1.6.HN' (nmrStar names),'1.3.HA' (nmrStar names) not linked" rr_1evb 1
58 2 55 1 "Not handling restraint 55, item 1, resonance(s) '1.5.HN' (nmrStar names) not linked" rr_1evb 1
59 2 55 1 "Not handling restraint 55, item 1, resonance(s) '1.5.HN' (nmrStar names) not linked" rr_1evb 1
60 2 56 1 "Not handling restraint 56, item 1, resonance(s) '1.5.HN' (nmrStar names) not linked" rr_1evb 1
61 2 57 1 "Not handling restraint 57, item 1, resonance(s) '1.5.HH' (nmrStar names) not linked" rr_1evb 1
62 2 57 1 "Not handling restraint 57, item 1, resonance(s) '1.5.HH' (nmrStar names) not linked" rr_1evb 1
63 2 58 1 "Not handling restraint 58, item 1, resonance(s) '1.5.H1' (nmrStar names) not linked" rr_1evb 1
64 2 58 1 "Not handling restraint 58, item 1, resonance(s) '1.5.H1' (nmrStar names) not linked" rr_1evb 1
65 2 59 1 "Not handling restraint 59, item 1, resonance(s) '1.4.HN' (nmrStar names) not linked" rr_1evb 1
66 2 60 1 "Not handling restraint 60, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
67 2 61 1 "Not handling restraint 61, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_1evb 1
68 2 62 1 "Not handling restraint 62, item 1, resonance(s) '1.6.HN' (nmrStar names),'1.6.HA' (nmrStar names) not linked" rr_1evb 1
69 2 63 1 "Not handling restraint 63, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.5.HA' (nmrStar names) not linked" rr_1evb 1
70 2 64 1 "Not handling restraint 64, item 1, resonance(s) '1.3.HN' (nmrStar names),'1.3.HA' (nmrStar names) not linked" rr_1evb 1
71 2 65 1 "Not handling restraint 65, item 1, resonance(s) '1.5.HH' (nmrStar names),'1.5.HM*' (nmrStar names) not linked" rr_1evb 1
72 2 66 1 "Not handling restraint 66, item 1, resonance(s) '1.5.HI*' (nmrStar names),'1.5.HM*' (nmrStar names) not linked" rr_1evb 1
73 2 67 1 "Not handling restraint 67, item 1, resonance(s) '1.5.HH' (nmrStar names),'1.5.HK*' (nmrStar names) not linked" rr_1evb 1
74 2 68 1 "Not handling restraint 68, item 1, resonance(s) '1.5.HK*' (nmrStar names) not linked" rr_1evb 1
75 2 68 1 "Not handling restraint 68, item 1, resonance(s) '1.5.HK*' (nmrStar names) not linked" rr_1evb 1
76 2 69 1 "Not handling restraint 69, item 1, resonance(s) '1.5.HI*' (nmrStar names),'1.5.HK*' (nmrStar names) not linked" rr_1evb 1
77 2 70 1 "Not handling restraint 70, item 1, resonance(s) '1.5.HG' (nmrStar names),'1.5.HB' (nmrStar names) not linked" rr_1evb 1
78 2 71 1 "Not handling restraint 71, item 1, resonance(s) '1.5.H1' (nmrStar names),'1.5.HB' (nmrStar names) not linked" rr_1evb 1
79 2 72 1 "Not handling restraint 72, item 1, resonance(s) '1.5.HB' (nmrStar names) not linked" rr_1evb 1
80 2 72 1 "Not handling restraint 72, item 1, resonance(s) '1.5.HB' (nmrStar names) not linked" rr_1evb 1
81 2 73 1 "Not handling restraint 73, item 1, resonance(s) '1.5.HB' (nmrStar names) not linked" rr_1evb 1
82 2 74 1 "Not handling restraint 74, item 1, resonance(s) '1.5.HE' (nmrStar names),'1.5.HI*' (nmrStar names) not linked" rr_1evb 1
83 2 75 1 "Not handling restraint 75, item 1, resonance(s) '1.5.HE' (nmrStar names) not linked" rr_1evb 1
84 2 75 1 "Not handling restraint 75, item 1, resonance(s) '1.5.HE' (nmrStar names) not linked" rr_1evb 1
85 2 76 1 "Not handling restraint 76, item 1, resonance(s) '1.5.HE' (nmrStar names) not linked" rr_1evb 1
86 2 76 1 "Not handling restraint 76, item 1, resonance(s) '1.5.HE' (nmrStar names) not linked" rr_1evb 1
87 2 77 1 "Not handling restraint 77, item 1, resonance(s) '1.5.H1' (nmrStar names),'1.5.HA' (nmrStar names) not linked" rr_1evb 1
88 2 78 1 "Not handling restraint 78, item 1, resonance(s) '1.5.HA' (nmrStar names) not linked" rr_1evb 1
89 2 78 1 "Not handling restraint 78, item 1, resonance(s) '1.5.HA' (nmrStar names) not linked" rr_1evb 1
90 2 79 1 "Not handling restraint 79, item 1, resonance(s) '1.5.HA' (nmrStar names) not linked" rr_1evb 1
91 2 81 1 "Not handling restraint 81, item 1, resonance(s) '1.3.HG*' (nmrStar names),'1.3.HA' (nmrStar names) not linked" rr_1evb 1
92 2 84 1 "Not handling restraint 84, item 1, resonance(s) '1.3.HB' (nmrStar names) not linked" rr_1evb 1
93 2 85 1 "Not handling restraint 85, item 1, resonance(s) '1.6.HB*' (nmrStar names) not linked" rr_1evb 1
94 2 86 1 "Not handling restraint 86, item 1, resonance(s) '1.5.H1' (nmrStar names) not linked" rr_1evb 1
95 2 87 1 "Not handling restraint 87, item 1, resonance(s) '1.5.HF' (nmrStar names) not linked" rr_1evb 1
96 2 87 1 "Not handling restraint 87, item 1, resonance(s) '1.5.HF' (nmrStar names) not linked" rr_1evb 1
stop_
save_
save_Discover_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode Discover_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1evb
_Distance_constraint_list.ID 1
_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 2
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_1evb 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 2 . OR rr_1evb 1
1 2 . 3 . rr_1evb 1
1 3 . . . rr_1evb 1
2 1 2 . OR rr_1evb 1
2 2 . 3 . rr_1evb 1
2 3 . . . rr_1evb 1
3 1 2 . OR rr_1evb 1
3 2 . 3 . rr_1evb 1
3 3 . 4 . rr_1evb 1
3 4 . 5 . rr_1evb 1
3 5 . . . rr_1evb 1
4 1 2 . OR rr_1evb 1
4 2 . 3 . rr_1evb 1
4 3 . . . rr_1evb 1
5 1 2 . OR rr_1evb 1
5 2 . 3 . rr_1evb 1
5 3 . 4 . rr_1evb 1
5 4 . 5 . rr_1evb 1
5 5 . . . rr_1evb 1
6 1 2 . OR rr_1evb 1
6 2 . 3 . rr_1evb 1
6 3 . . . rr_1evb 1
7 1 . . . rr_1evb 1
8 1 2 . OR rr_1evb 1
8 2 . 3 . rr_1evb 1
8 3 . . . rr_1evb 1
9 1 . . . rr_1evb 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 2 . 1 . 1 1 2 2 LEU HA H . . 1 . 2 LEU HA rr_1evb 1
1 2 . 2 . 1 1 2 2 LEU MD1 H . . 1 . 2 LEU HD* rr_1evb 1
1 3 . 1 . 1 1 2 2 LEU HA H . . 1 . 2 LEU HA rr_1evb 1
1 3 . 2 . 1 1 2 2 LEU MD2 H . . 1 . 2 LEU HD* rr_1evb 1
2 2 . 1 . 1 1 4 4 ARG HA H . . 1 . 4 ARG+ HA rr_1evb 1
2 2 . 2 . 1 1 4 4 ARG HB2 H . . 1 . 4 ARG+ HB* rr_1evb 1
2 3 . 1 . 1 1 4 4 ARG HA H . . 1 . 4 ARG+ HA rr_1evb 1
2 3 . 2 . 1 1 4 4 ARG HB3 H . . 1 . 4 ARG+ HB* rr_1evb 1
3 2 . 1 . 1 1 4 4 ARG HD2 H . . 1 . 4 ARG+ HD* rr_1evb 1
3 2 . 2 . 1 1 4 4 ARG HB3 H . . 1 . 4 ARG+ HB* rr_1evb 1
3 3 . 1 . 1 1 4 4 ARG HD2 H . . 1 . 4 ARG+ HD* rr_1evb 1
3 3 . 2 . 1 1 4 4 ARG HB2 H . . 1 . 4 ARG+ HB* rr_1evb 1
3 4 . 1 . 1 1 4 4 ARG HD3 H . . 1 . 4 ARG+ HD* rr_1evb 1
3 4 . 2 . 1 1 4 4 ARG HB2 H . . 1 . 4 ARG+ HB* rr_1evb 1
3 5 . 1 . 1 1 4 4 ARG HD3 H . . 1 . 4 ARG+ HD* rr_1evb 1
3 5 . 2 . 1 1 4 4 ARG HB3 H . . 1 . 4 ARG+ HB* rr_1evb 1
4 2 . 1 . 1 1 2 2 LEU HB2 H . . 1 . 2 LEU HB* rr_1evb 1
4 2 . 2 . 1 1 2 2 LEU HG H . . 1 . 2 LEU HG rr_1evb 1
4 3 . 1 . 1 1 2 2 LEU HB3 H . . 1 . 2 LEU HB* rr_1evb 1
4 3 . 2 . 1 1 2 2 LEU HG H . . 1 . 2 LEU HG rr_1evb 1
5 2 . 1 . 1 1 2 2 LEU HB2 H . . 1 . 2 LEU HB* rr_1evb 1
5 2 . 2 . 1 1 2 2 LEU MD1 H . . 1 . 2 LEU HD* rr_1evb 1
5 3 . 1 . 1 1 2 2 LEU HB3 H . . 1 . 2 LEU HB* rr_1evb 1
5 3 . 2 . 1 1 2 2 LEU MD1 H . . 1 . 2 LEU HD* rr_1evb 1
5 4 . 1 . 1 1 2 2 LEU HB2 H . . 1 . 2 LEU HB* rr_1evb 1
5 4 . 2 . 1 1 2 2 LEU MD2 H . . 1 . 2 LEU HD* rr_1evb 1
5 5 . 1 . 1 1 2 2 LEU HB3 H . . 1 . 2 LEU HB* rr_1evb 1
5 5 . 2 . 1 1 2 2 LEU MD2 H . . 1 . 2 LEU HD* rr_1evb 1
6 2 . 1 . 1 1 2 2 LEU HG H . . 1 . 2 LEU HG rr_1evb 1
6 2 . 2 . 1 1 2 2 LEU MD1 H . . 1 . 2 LEU HD* rr_1evb 1
6 3 . 1 . 1 1 2 2 LEU HG H . . 1 . 2 LEU HG rr_1evb 1
6 3 . 2 . 1 1 2 2 LEU MD2 H . . 1 . 2 LEU HD* rr_1evb 1
7 1 . 1 . 1 1 1 1 DAL HA H . . 1 . 1 ALA HA rr_1evb 1
7 1 . 2 . 1 1 1 1 DAL HB1 H . . 1 . 1 ALA HB* rr_1evb 1
8 2 . 1 . 1 1 2 2 LEU HA H . . 1 . 2 LEU HA rr_1evb 1
8 2 . 2 . 1 1 2 2 LEU HB2 H . . 1 . 2 LEU HB* rr_1evb 1
8 3 . 1 . 1 1 2 2 LEU HA H . . 1 . 2 LEU HA rr_1evb 1
8 3 . 2 . 1 1 2 2 LEU HB3 H . . 1 . 2 LEU HB* rr_1evb 1
9 1 . 1 . 1 1 2 2 LEU HA H . . 1 . 2 LEU HA rr_1evb 1
9 1 . 2 . 1 1 2 2 LEU HG H . . 1 . 2 LEU HG rr_1evb 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 2 . . . . . . 2.7 -1.0 5.1 rr_1evb 1
1 3 . . . . . . 2.7 -1.0 5.1 rr_1evb 1
2 2 . . . . . . 2.7 -1.0 3.7 rr_1evb 1
2 3 . . . . . . 2.7 -1.0 3.7 rr_1evb 1
3 2 . . . . . . 3.3 -1.0 5.3 rr_1evb 1
3 3 . . . . . . 3.3 -1.0 5.3 rr_1evb 1
3 4 . . . . . . 3.3 -1.0 5.3 rr_1evb 1
3 5 . . . . . . 3.3 -1.0 5.3 rr_1evb 1
4 2 . . . . . . 2.7 -1.0 3.7 rr_1evb 1
4 3 . . . . . . 2.7 -1.0 3.7 rr_1evb 1
5 2 . . . . . . 3.3 -1.0 6.7 rr_1evb 1
5 3 . . . . . . 3.3 -1.0 6.7 rr_1evb 1
5 4 . . . . . . 3.3 -1.0 6.7 rr_1evb 1
5 5 . . . . . . 3.3 -1.0 6.7 rr_1evb 1
6 2 . . . . . . 2.7 -1.0 5.1 rr_1evb 1
6 3 . . . . . . 2.7 -1.0 5.1 rr_1evb 1
7 1 . . . . . . 5.0 -1.0 6.5 rr_1evb 1
8 2 . . . . . . 5.0 -1.0 6.0 rr_1evb 1
8 3 . . . . . . 5.0 -1.0 6.0 rr_1evb 1
9 1 . . . . . . 5.0 -1.0 5.0 rr_1evb 1
stop_
loop_
_Dist_constraint_conv_err.ID
_Dist_constraint_conv_err.Dist_constraint_parse_file_ID
_Dist_constraint_conv_err.Parse_file_constraint_ID
_Dist_constraint_conv_err.Conv_error_type
_Dist_constraint_conv_err.Conv_error_note
_Dist_constraint_conv_err.Entry_ID
_Dist_constraint_conv_err.Distance_constraint_list_ID
1 2 1 1 "Not handling restraint 1, item 1, resonance(s) '1.4.HN' (nmrStar names),'1.5.HN' (nmrStar names) not linked" rr_1evb 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) '1.4.HN' (nmrStar names),'1.3.HB' (nmrStar names) not linked" rr_1evb 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) '1.4.HN' (nmrStar names),'1.3.HG*' (nmrStar names) not linked" rr_1evb 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) '1.2.HN' (nmrStar names),'1.3.HN' (nmrStar names) not linked" rr_1evb 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
7 2 6 1 "Not handling restraint 6, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
8 2 7 1 "Not handling restraint 7, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
9 2 8 1 "Not handling restraint 8, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
10 2 9 1 "Not handling restraint 9, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
11 2 9 1 "Not handling restraint 9, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
12 2 10 1 "Not handling restraint 10, item 1, resonance(s) '1.1.HN' (nmrStar names),'1.7.HM*' (nmrStar names) not linked" rr_1evb 1
13 2 11 1 "Not handling restraint 11, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_1evb 1
14 2 12 1 "Not handling restraint 12, item 1, resonance(s) '1.6.HN' (nmrStar names) not linked" rr_1evb 1
15 2 13 1 "Not handling restraint 13, item 1, resonance(s) '1.6.HN' (nmrStar names),'1.5.H1' (nmrStar names) not linked" rr_1evb 1
16 2 14 1 "Not handling restraint 14, item 1, resonance(s) '1.6.HN' (nmrStar names),'1.6.HG*' (nmrStar names) not linked" rr_1evb 1
17 2 15 1 "Not handling restraint 15, item 1, resonance(s) '1.6.HN' (nmrStar names),'1.6.HB*' (nmrStar names) not linked" rr_1evb 1
18 2 16 1 "Not handling restraint 16, item 1, resonance(s) '1.6.HN' (nmrStar names) not linked" rr_1evb 1
19 2 17 1 "Not handling restraint 17, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.5.HG' (nmrStar names) not linked" rr_1evb 1
20 2 18 1 "Not handling restraint 18, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.5.HB' (nmrStar names) not linked" rr_1evb 1
21 2 19 1 "Not handling restraint 19, item 1, resonance(s) '1.5.HN' (nmrStar names) not linked" rr_1evb 1
22 2 20 1 "Not handling restraint 20, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.3.HB' (nmrStar names) not linked" rr_1evb 1
23 2 21 1 "Not handling restraint 21, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.5.H1' (nmrStar names) not linked" rr_1evb 1
24 2 22 1 "Not handling restraint 22, item 1, resonance(s) '1.3.HN' (nmrStar names) not linked" rr_1evb 1
25 2 23 1 "Not handling restraint 23, item 1, resonance(s) '1.3.HB' (nmrStar names),'1.3.HN' (nmrStar names) not linked" rr_1evb 1
26 2 24 1 "Not handling restraint 24, item 1, resonance(s) '1.3.HN' (nmrStar names) not linked" rr_1evb 1
27 2 24 1 "Not handling restraint 24, item 1, resonance(s) '1.3.HN' (nmrStar names) not linked" rr_1evb 1
28 2 25 1 "Not handling restraint 25, item 1, resonance(s) '1.3.HN' (nmrStar names) not linked" rr_1evb 1
29 2 26 1 "Not handling restraint 26, item 1, resonance(s) '1.3.HG*' (nmrStar names),'1.3.HN' (nmrStar names) not linked" rr_1evb 1
30 2 27 1 "Not handling restraint 27, item 1, resonance(s) '1.5.HG' (nmrStar names),'1.5.HA' (nmrStar names) not linked" rr_1evb 1
31 2 28 1 "Not handling restraint 28, item 1, resonance(s) '1.5.H1' (nmrStar names),'1.5.HG' (nmrStar names) not linked" rr_1evb 1
32 2 29 1 "Not handling restraint 29, item 1, resonance(s) '1.5.HG' (nmrStar names) not linked" rr_1evb 1
33 2 29 1 "Not handling restraint 29, item 1, resonance(s) '1.5.HG' (nmrStar names) not linked" rr_1evb 1
34 2 30 1 "Not handling restraint 30, item 1, resonance(s) '1.5.HG' (nmrStar names) not linked" rr_1evb 1
35 2 31 1 "Not handling restraint 31, item 1, resonance(s) '1.7.HM*' (nmrStar names),'1.7.HB*' (nmrStar names) not linked" rr_1evb 1
36 2 32 1 "Not handling restraint 32, item 1, resonance(s) '1.5.HE' (nmrStar names),'1.5.HH' (nmrStar names) not linked" rr_1evb 1
37 2 33 1 "Not handling restraint 33, item 1, resonance(s) '1.3.HB' (nmrStar names),'1.3.HA' (nmrStar names) not linked" rr_1evb 1
38 2 36 1 "Not handling restraint 36, item 1, resonance(s) '1.6.HG*' (nmrStar names),'1.6.HA' (nmrStar names) not linked" rr_1evb 1
39 2 37 1 "Not handling restraint 37, item 1, resonance(s) '1.6.HB*' (nmrStar names),'1.6.HA' (nmrStar names) not linked" rr_1evb 1
40 2 38 1 "Not handling restraint 38, item 1, resonance(s) '1.5.HH' (nmrStar names) not linked" rr_1evb 1
41 2 38 1 "Not handling restraint 38, item 1, resonance(s) '1.5.HH' (nmrStar names) not linked" rr_1evb 1
42 2 39 1 "Not handling restraint 39, item 1, resonance(s) '1.5.HH' (nmrStar names),'1.5.HI*' (nmrStar names) not linked" rr_1evb 1
43 2 40 1 "Not handling restraint 40, item 1, resonance(s) '1.5.HH' (nmrStar names) not linked" rr_1evb 1
44 2 40 1 "Not handling restraint 40, item 1, resonance(s) '1.5.HH' (nmrStar names) not linked" rr_1evb 1
45 2 41 1 "Not handling restraint 41, item 1, resonance(s) '1.7.HM*' (nmrStar names),'1.6.HG*' (nmrStar names) not linked" rr_1evb 1
46 2 42 1 "Not handling restraint 42, item 1, resonance(s) '1.3.HB' (nmrStar names),'1.3.HG*' (nmrStar names) not linked" rr_1evb 1
47 2 44 1 "Not handling restraint 44, item 1, resonance(s) '1.5.HI*' (nmrStar names) not linked" rr_1evb 1
48 2 44 1 "Not handling restraint 44, item 1, resonance(s) '1.5.HI*' (nmrStar names) not linked" rr_1evb 1
49 2 45 1 "Not handling restraint 45, item 1, resonance(s) '1.6.HG*' (nmrStar names),'1.6.HB*' (nmrStar names) not linked" rr_1evb 1
50 2 46 1 "Not handling restraint 46, item 1, resonance(s) '1.5.HF' (nmrStar names) not linked" rr_1evb 1
51 2 46 1 "Not handling restraint 46, item 1, resonance(s) '1.5.HF' (nmrStar names) not linked" rr_1evb 1
52 2 50 1 "Not handling restraint 50, item 1, resonance(s) '1.2.HN' (nmrStar names),'1.1.HN' (nmrStar names) not linked" rr_1evb 1
53 2 51 1 "Not handling restraint 51, item 1, resonance(s) '1.4.HN' (nmrStar names),'1.3.HA' (nmrStar names) not linked" rr_1evb 1
54 2 52 1 "Not handling restraint 52, item 1, resonance(s) '1.4.HN' (nmrStar names) not linked" rr_1evb 1
55 2 52 1 "Not handling restraint 52, item 1, resonance(s) '1.4.HN' (nmrStar names) not linked" rr_1evb 1
56 2 53 1 "Not handling restraint 53, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.6.HN' (nmrStar names) not linked" rr_1evb 1
57 2 54 1 "Not handling restraint 54, item 1, resonance(s) '1.6.HN' (nmrStar names),'1.3.HA' (nmrStar names) not linked" rr_1evb 1
58 2 55 1 "Not handling restraint 55, item 1, resonance(s) '1.5.HN' (nmrStar names) not linked" rr_1evb 1
59 2 55 1 "Not handling restraint 55, item 1, resonance(s) '1.5.HN' (nmrStar names) not linked" rr_1evb 1
60 2 56 1 "Not handling restraint 56, item 1, resonance(s) '1.5.HN' (nmrStar names) not linked" rr_1evb 1
61 2 57 1 "Not handling restraint 57, item 1, resonance(s) '1.5.HH' (nmrStar names) not linked" rr_1evb 1
62 2 57 1 "Not handling restraint 57, item 1, resonance(s) '1.5.HH' (nmrStar names) not linked" rr_1evb 1
63 2 58 1 "Not handling restraint 58, item 1, resonance(s) '1.5.H1' (nmrStar names) not linked" rr_1evb 1
64 2 58 1 "Not handling restraint 58, item 1, resonance(s) '1.5.H1' (nmrStar names) not linked" rr_1evb 1
65 2 59 1 "Not handling restraint 59, item 1, resonance(s) '1.4.HN' (nmrStar names) not linked" rr_1evb 1
66 2 60 1 "Not handling restraint 60, item 1, resonance(s) '1.2.HN' (nmrStar names) not linked" rr_1evb 1
67 2 61 1 "Not handling restraint 61, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" rr_1evb 1
68 2 62 1 "Not handling restraint 62, item 1, resonance(s) '1.6.HN' (nmrStar names),'1.6.HA' (nmrStar names) not linked" rr_1evb 1
69 2 63 1 "Not handling restraint 63, item 1, resonance(s) '1.5.HN' (nmrStar names),'1.5.HA' (nmrStar names) not linked" rr_1evb 1
70 2 64 1 "Not handling restraint 64, item 1, resonance(s) '1.3.HN' (nmrStar names),'1.3.HA' (nmrStar names) not linked" rr_1evb 1
71 2 65 1 "Not handling restraint 65, item 1, resonance(s) '1.5.HH' (nmrStar names),'1.5.HM*' (nmrStar names) not linked" rr_1evb 1
72 2 66 1 "Not handling restraint 66, item 1, resonance(s) '1.5.HI*' (nmrStar names),'1.5.HM*' (nmrStar names) not linked" rr_1evb 1
73 2 67 1 "Not handling restraint 67, item 1, resonance(s) '1.5.HH' (nmrStar names),'1.5.HK*' (nmrStar names) not linked" rr_1evb 1
74 2 68 1 "Not handling restraint 68, item 1, resonance(s) '1.5.HK*' (nmrStar names) not linked" rr_1evb 1
75 2 68 1 "Not handling restraint 68, item 1, resonance(s) '1.5.HK*' (nmrStar names) not linked" rr_1evb 1
76 2 69 1 "Not handling restraint 69, item 1, resonance(s) '1.5.HI*' (nmrStar names),'1.5.HK*' (nmrStar names) not linked" rr_1evb 1
77 2 70 1 "Not handling restraint 70, item 1, resonance(s) '1.5.HG' (nmrStar names),'1.5.HB' (nmrStar names) not linked" rr_1evb 1
78 2 71 1 "Not handling restraint 71, item 1, resonance(s) '1.5.H1' (nmrStar names),'1.5.HB' (nmrStar names) not linked" rr_1evb 1
79 2 72 1 "Not handling restraint 72, item 1, resonance(s) '1.5.HB' (nmrStar names) not linked" rr_1evb 1
80 2 72 1 "Not handling restraint 72, item 1, resonance(s) '1.5.HB' (nmrStar names) not linked" rr_1evb 1
81 2 73 1 "Not handling restraint 73, item 1, resonance(s) '1.5.HB' (nmrStar names) not linked" rr_1evb 1
82 2 74 1 "Not handling restraint 74, item 1, resonance(s) '1.5.HE' (nmrStar names),'1.5.HI*' (nmrStar names) not linked" rr_1evb 1
83 2 75 1 "Not handling restraint 75, item 1, resonance(s) '1.5.HE' (nmrStar names) not linked" rr_1evb 1
84 2 75 1 "Not handling restraint 75, item 1, resonance(s) '1.5.HE' (nmrStar names) not linked" rr_1evb 1
85 2 76 1 "Not handling restraint 76, item 1, resonance(s) '1.5.HE' (nmrStar names) not linked" rr_1evb 1
86 2 76 1 "Not handling restraint 76, item 1, resonance(s) '1.5.HE' (nmrStar names) not linked" rr_1evb 1
87 2 77 1 "Not handling restraint 77, item 1, resonance(s) '1.5.H1' (nmrStar names),'1.5.HA' (nmrStar names) not linked" rr_1evb 1
88 2 78 1 "Not handling restraint 78, item 1, resonance(s) '1.5.HA' (nmrStar names) not linked" rr_1evb 1
89 2 78 1 "Not handling restraint 78, item 1, resonance(s) '1.5.HA' (nmrStar names) not linked" rr_1evb 1
90 2 79 1 "Not handling restraint 79, item 1, resonance(s) '1.5.HA' (nmrStar names) not linked" rr_1evb 1
91 2 81 1 "Not handling restraint 81, item 1, resonance(s) '1.3.HG*' (nmrStar names),'1.3.HA' (nmrStar names) not linked" rr_1evb 1
92 2 84 1 "Not handling restraint 84, item 1, resonance(s) '1.3.HB' (nmrStar names) not linked" rr_1evb 1
93 2 85 1 "Not handling restraint 85, item 1, resonance(s) '1.6.HB*' (nmrStar names) not linked" rr_1evb 1
94 2 86 1 "Not handling restraint 86, item 1, resonance(s) '1.5.H1' (nmrStar names) not linked" rr_1evb 1
95 2 87 1 "Not handling restraint 87, item 1, resonance(s) '1.5.HF' (nmrStar names) not linked" rr_1evb 1
96 2 87 1 "Not handling restraint 87, item 1, resonance(s) '1.5.HF' (nmrStar names) not linked" rr_1evb 1
stop_
save_
save_Discover_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_4
_Torsion_angle_constraint_list.Entry_ID rr_1evb
_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 4
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_1evb 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 "A=6.800, B=-1.300, C=2.500" 1 126 1 152 rr_1evb 1
2 "A=6.800, B=-1.300, C=2.500" 2 126 2 152 rr_1evb 1
3 "A=6.800, B=-1.300, C=2.500" 3 126 3 152 rr_1evb 1
stop_
loop_
_TA_constraint_conv_err.ID
_TA_constraint_conv_err.Parse_file_ID
_TA_constraint_conv_err.Parse_file_constraint_ID
_TA_constraint_conv_err.Conv_error_type
_TA_constraint_conv_err.Conv_error_note
_TA_constraint_conv_err.Entry_ID
_TA_constraint_conv_err.Torsion_angle_constraint_list_ID
1 4 1 1 "Not handling restraint 1, resonance(s) '1.3.HN' (nmrStar names),'1.3.N' (nmrStar names),'1.3.CA' (nmrStar names),'1.3.HA' (nmrStar names) not linked" rr_1evb 1
2 4 2 1 "Not handling restraint 2, resonance(s) '1.4.HN' (nmrStar names) not linked" rr_1evb 1
3 4 3 1 "Not handling restraint 3, resonance(s) '1.5.HN' (nmrStar names),'1.5.N' (nmrStar names),'1.5.CA' (nmrStar names),'1.5.HA' (nmrStar names) not linked" rr_1evb 1
4 4 4 1 "Not handling restraint 4, resonance(s) '1.6.HN' (nmrStar names),'1.6.N' (nmrStar names),'1.6.CA' (nmrStar names),'1.6.HA' (nmrStar names) not linked" rr_1evb 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_1evb
_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 CYANOBACTERIAL TOXIN 14-FEB-96 1EVB *TITLE CYANOBACTERIAL TOXIN, PHOSPHATASE-1/-2A INHIBITOR, NMR *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: MICROCYSTIN-LR; *COMPND 3 CHAIN: NULL *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: MICROCYSTIS *KEYWDS CYANOBACTERIAL TOXIN, PHOSPHATASE-1/-2A INHIBITOR *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR J.R.BAGU,B.D.SYKES *REVDAT 1 08-NOV-96 1EVB 0 !BIOSYM restraint 1
!
#remote_prochiral_center
!
#NOE_distance
;
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_framecode MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1evb
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "#3J_dihedral"
save_
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