NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
|
|
369660 |
1bfw   |
4213 | cing | 3-converted-DOCR | STAR | entry | full |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1bfw
# This DOCR archive file contains, for PDB entry <1bfw>:
#
# - 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_1bfw
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1bfw"
_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 1bfw"
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1bfw
_Assembly.ID 1
_Assembly.Name 1bfw
_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 1988.2081
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 "VP1 PROTEIN" 1 $VP1_PROTEIN A . no . . . . . . rr_1bfw 1
stop_
save_
save_VP1_PROTEIN
_Entity.Sf_category entity
_Entity.Sf_framecode VP1_PROTEIN
_Entity.Entry_ID rr_1bfw
_Entity.ID 1
_Entity.Name VP1_PROTEIN
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code XXXAXXPAXXGXXGXXGXGX
_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 20
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 1988.2081
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 . LML . rr_1bfw 1
2 . . . rr_1bfw 1
3 . . . rr_1bfw 1
4 . DAL . rr_1bfw 1
5 . . . rr_1bfw 1
6 . . . rr_1bfw 1
7 . DPR . rr_1bfw 1
8 . DAL . rr_1bfw 1
9 . . . rr_1bfw 1
10 . . . rr_1bfw 1
11 . GLY . rr_1bfw 1
12 . . . rr_1bfw 1
13 . . . rr_1bfw 1
14 . GLY . rr_1bfw 1
15 . . . rr_1bfw 1
16 . . . rr_1bfw 1
17 . GLY . rr_1bfw 1
18 . . . rr_1bfw 1
19 . GLY . rr_1bfw 1
20 . NH2 . rr_1bfw 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
. LML 1 1 rr_1bfw 1
. . 2 2 rr_1bfw 1
. . 3 3 rr_1bfw 1
. DAL 4 4 rr_1bfw 1
. . 5 5 rr_1bfw 1
. . 6 6 rr_1bfw 1
. DPR 7 7 rr_1bfw 1
. DAL 8 8 rr_1bfw 1
. . 9 9 rr_1bfw 1
. . 10 10 rr_1bfw 1
. GLY 11 11 rr_1bfw 1
. . 12 12 rr_1bfw 1
. . 13 13 rr_1bfw 1
. GLY 14 14 rr_1bfw 1
. . 15 15 rr_1bfw 1
. . 16 16 rr_1bfw 1
. GLY 17 17 rr_1bfw 1
. . 18 18 rr_1bfw 1
. GLY 19 19 rr_1bfw 1
. NH2 20 20 rr_1bfw 1
stop_
save_
save_chem_comp_LML
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_LML
_Chem_comp.Entry_ID rr_1bfw
_Chem_comp.ID LML
_Chem_comp.Name "ISOBUTYL MALONIC ACID"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code LML
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C7 H12 O4"
_Chem_comp.Formula_weight 160.1694
save_
save_chem_comp_DGN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DGN
_Chem_comp.Entry_ID rr_1bfw
_Chem_comp.ID 1
_Chem_comp.Name Dgn
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C5 H8 N2 O2"
_Chem_comp.Formula_weight 128.1304
save_
save_chem_comp_DAR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DAR
_Chem_comp.Entry_ID rr_1bfw
_Chem_comp.ID 2
_Chem_comp.Name Dar
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C6 H12 N4 O"
_Chem_comp.Formula_weight 156.187
save_
save_chem_comp_DAL
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DAL
_Chem_comp.Entry_ID rr_1bfw
_Chem_comp.ID DAL
_Chem_comp.Name D-alanine
_Chem_comp.Type "L-peptide linking"
_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 H5 N O"
_Chem_comp.Formula_weight 71.0786
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_1bfw DAL
stop_
save_
save_chem_comp_DVA
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DVA
_Chem_comp.Entry_ID rr_1bfw
_Chem_comp.ID 3
_Chem_comp.Name Dva
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C5 H9 N O"
_Chem_comp.Formula_weight 99.1322
save_
save_chem_comp_DPR
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DPR
_Chem_comp.Entry_ID rr_1bfw
_Chem_comp.ID DPR
_Chem_comp.Name D-proline
_Chem_comp.Type "L-peptide linking"
_Chem_comp.PDB_code DPR
_Chem_comp.Std_deriv_one_letter_code P
_Chem_comp.Std_deriv_three_letter_code Pro
_Chem_comp.Std_deriv_PDB_code PRO
_Chem_comp.Std_deriv_chem_comp_name PROLINE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C5 H7 N O"
_Chem_comp.Formula_weight 97.1164
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
L-proline name rr_1bfw DPR
stop_
save_
save_chem_comp_DLE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DLE
_Chem_comp.Entry_ID rr_1bfw
_Chem_comp.ID 4
_Chem_comp.Name Dle
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C6 H11 N O"
_Chem_comp.Formula_weight 113.159
save_
save_chem_comp_DSN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DSN
_Chem_comp.Entry_ID rr_1bfw
_Chem_comp.ID 5
_Chem_comp.Name Dsn
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C3 H5 N O2"
_Chem_comp.Formula_weight 87.078
save_
save_chem_comp_DPN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DPN
_Chem_comp.Entry_ID rr_1bfw
_Chem_comp.ID 6
_Chem_comp.Name Dpn
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C9 H9 N O"
_Chem_comp.Formula_weight 147.1762
save_
save_chem_comp_DAS
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_DAS
_Chem_comp.Entry_ID rr_1bfw
_Chem_comp.ID 7
_Chem_comp.Name Das
_Chem_comp.Type "L-peptide linking"
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C4 H5 N O3"
_Chem_comp.Formula_weight 115.0884
save_
save_chem_comp_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NH2
_Chem_comp.Entry_ID rr_1bfw
_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_1bfw
_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 10
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_1bfw
_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_1bfw 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_1bfw 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 LML C C -3.410 -2.779 -2.714 . . . 1.0 . . . . . . . . . . . . A . 157 DAR C . . . . . . . . . rr_1bfw 1
. 1 . 2 . 1 1 1 LML CA C -3.280 -3.311 -1.285 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CA . . . . . . . . . rr_1bfw 1
. 1 . 3 . 1 1 1 LML CB C -2.639 -4.699 -1.321 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CB . . . . . . . . . rr_1bfw 1
. 1 . 4 . 1 1 1 LML CG C -2.265 -5.167 0.087 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CG . . . . . . . . . rr_1bfw 1
. 1 . 5 . 1 1 1 LML HA H -4.252 -3.356 -0.794 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HA . . . . . . . . . rr_1bfw 1
. 1 . 6 . 1 1 1 LML HB2 H -3.329 -5.411 -1.774 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HB2 . . . . . . . . . rr_1bfw 1
. 1 . 7 . 1 1 1 LML O O -4.490 -2.363 -3.130 . . . 1.0 . . . . . . . . . . . . A . 157 DAR O . . . . . . . . . rr_1bfw 1
. 1 . 8 . 1 1 2 . C C -2.783 -2.197 0.803 . . . 1.0 . . . . . . . . . . . . A . 158 DGN C . . . . . . . . . rr_1bfw 1
. 1 . 9 . 1 1 2 . CA C -1.870 -1.203 1.524 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CA . . . . . . . . . rr_1bfw 1
. 1 . 10 . 1 1 2 . CB C -0.397 -1.545 1.294 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CB . . . . . . . . . rr_1bfw 1
. 1 . 11 . 1 1 2 . CD C 0.034 0.147 3.114 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CD . . . . . . . . . rr_1bfw 1
. 1 . 12 . 1 1 2 . CG C 0.511 -0.409 1.771 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CG . . . . . . . . . rr_1bfw 1
. 1 . 13 . 1 1 2 . H2 H -2.152 0.296 0.105 . . . 1.0 . . . . . . . . . . . . A . 158 DGN H2 . . . . . . . . . rr_1bfw 1
. 1 . 14 . 1 1 2 . HA H -2.077 -1.219 2.594 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HA . . . . . . . . . rr_1bfw 1
. 1 . 15 . 1 1 2 . HB2 H -0.145 -2.463 1.825 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB2 . . . . . . . . . rr_1bfw 1
. 1 . 16 . 1 1 2 . HB3 H -0.224 -1.732 0.234 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB3 . . . . . . . . . rr_1bfw 1
. 1 . 17 . 1 1 2 . HE21 H 0.668 1.978 2.528 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE21 . . . . . . . . . rr_1bfw 1
. 1 . 18 . 1 1 2 . HE22 H -0.041 1.910 4.107 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE22 . . . . . . . . . rr_1bfw 1
. 1 . 19 . 1 1 2 . HG2 H 1.534 -0.771 1.866 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG2 . . . . . . . . . rr_1bfw 1
. 1 . 20 . 1 1 2 . HG3 H 0.523 0.388 1.027 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG3 . . . . . . . . . rr_1bfw 1
. 1 . 21 . 1 1 2 . N N -2.163 0.154 1.095 . . . 1.0 . . . . . . . . . . . . A . 158 DGN N . . . . . . . . . rr_1bfw 1
. 1 . 22 . 1 1 2 . NE2 N 0.237 1.453 3.262 . . . 1.0 . . . . . . . . . . . . A . 158 DGN NE2 . . . . . . . . . rr_1bfw 1
. 1 . 23 . 1 1 2 . O O -3.702 -2.750 1.404 . . . 1.0 . . . . . . . . . . . . A . 158 DGN O . . . . . . . . . rr_1bfw 1
. 1 . 24 . 1 1 2 . OE1 O -0.484 -0.563 3.960 . . . 1.0 . . . . . . . . . . . . A . 158 DGN OE1 . . . . . . . . . rr_1bfw 1
. 1 . 25 . 1 1 3 . C C -2.421 1.108 1.977 . . . 1.0 . . . . . . . . . . . . A . 159 LML C . . . . . . . . . rr_1bfw 1
. 1 . 26 . 1 1 3 . CA C -2.711 2.484 1.374 . . . 1.0 . . . . . . . . . . . . A . 159 LML CA . . . . . . . . . rr_1bfw 1
. 1 . 27 . 1 1 3 . CB C -1.468 3.192 0.831 . . . 1.0 . . . . . . . . . . . . A . 159 LML CB . . . . . . . . . rr_1bfw 1
. 1 . 28 . 1 1 3 . CG C -1.596 4.701 0.615 . . . 1.0 . . . . . . . . . . . . A . 159 LML CG . . . . . . . . . rr_1bfw 1
. 1 . 29 . 1 1 3 . HA H -3.400 2.357 0.539 . . . 1.0 . . . . . . . . . . . . A . 159 LML HA . . . . . . . . . rr_1bfw 1
. 1 . 30 . 1 1 3 . HB2 H -0.642 3.012 1.519 . . . 1.0 . . . . . . . . . . . . A . 159 LML HB2 . . . . . . . . . rr_1bfw 1
. 1 . 31 . 1 1 3 . O O -2.437 0.944 3.196 . . . 1.0 . . . . . . . . . . . . A . 159 LML O . . . . . . . . . rr_1bfw 1
. 2 . 32 . 1 1 1 LML C C -3.407 -3.119 -2.739 . . . 1.0 . . . . . . . . . . . . A . 157 DAR C . . . . . . . . . rr_1bfw 1
. 2 . 33 . 1 1 1 LML CA C -3.295 -3.765 -1.356 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CA . . . . . . . . . rr_1bfw 1
. 2 . 34 . 1 1 1 LML CB C -2.344 -4.961 -1.436 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CB . . . . . . . . . rr_1bfw 1
. 2 . 35 . 1 1 1 LML CG C -2.008 -5.487 -0.039 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CG . . . . . . . . . rr_1bfw 1
. 2 . 36 . 1 1 1 LML HA H -4.272 -4.082 -0.992 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HA . . . . . . . . . rr_1bfw 1
. 2 . 37 . 1 1 1 LML HB2 H -2.800 -5.754 -2.027 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HB2 . . . . . . . . . rr_1bfw 1
. 2 . 38 . 1 1 1 LML O O -4.509 -2.911 -3.243 . . . 1.0 . . . . . . . . . . . . A . 157 DAR O . . . . . . . . . rr_1bfw 1
. 2 . 39 . 1 1 2 . C C -3.278 -2.812 0.866 . . . 1.0 . . . . . . . . . . . . A . 158 DGN C . . . . . . . . . rr_1bfw 1
. 2 . 40 . 1 1 2 . CA C -2.700 -1.726 1.777 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CA . . . . . . . . . rr_1bfw 1
. 2 . 41 . 1 1 2 . CB C -1.319 -2.126 2.298 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CB . . . . . . . . . rr_1bfw 1
. 2 . 42 . 1 1 2 . CD C -1.602 -0.156 3.847 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CD . . . . . . . . . rr_1bfw 1
. 2 . 43 . 1 1 2 . CG C -0.623 -0.942 2.972 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CG . . . . . . . . . rr_1bfw 1
. 2 . 44 . 1 1 2 . H2 H -2.173 -0.482 0.191 . . . 1.0 . . . . . . . . . . . . A . 158 DGN H2 . . . . . . . . . rr_1bfw 1
. 2 . 45 . 1 1 2 . HA H -3.367 -1.559 2.623 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HA . . . . . . . . . rr_1bfw 1
. 2 . 46 . 1 1 2 . HB2 H -1.418 -2.946 3.009 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB2 . . . . . . . . . rr_1bfw 1
. 2 . 47 . 1 1 2 . HB3 H -0.707 -2.491 1.474 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB3 . . . . . . . . . rr_1bfw 1
. 2 . 48 . 1 1 2 . HE21 H -0.609 1.538 3.355 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE21 . . . . . . . . . rr_1bfw 1
. 2 . 49 . 1 1 2 . HE22 H -1.956 1.753 4.422 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE22 . . . . . . . . . rr_1bfw 1
. 2 . 50 . 1 1 2 . HG2 H 0.207 -1.301 3.581 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG2 . . . . . . . . . rr_1bfw 1
. 2 . 51 . 1 1 2 . HG3 H -0.200 -0.284 2.213 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG3 . . . . . . . . . rr_1bfw 1
. 2 . 52 . 1 1 2 . N N -2.644 -0.456 1.073 . . . 1.0 . . . . . . . . . . . . A . 158 DGN N . . . . . . . . . rr_1bfw 1
. 2 . 53 . 1 1 2 . NE2 N -1.370 1.153 3.877 . . . 1.0 . . . . . . . . . . . . A . 158 DGN NE2 . . . . . . . . . rr_1bfw 1
. 2 . 54 . 1 1 2 . O O -4.094 -3.623 1.302 . . . 1.0 . . . . . . . . . . . . A . 158 DGN O . . . . . . . . . rr_1bfw 1
. 2 . 55 . 1 1 2 . OE1 O -2.508 -0.702 4.455 . . . 1.0 . . . . . . . . . . . . A . 158 DGN OE1 . . . . . . . . . rr_1bfw 1
. 2 . 56 . 1 1 3 . C C -3.186 0.636 1.591 . . . 1.0 . . . . . . . . . . . . A . 159 LML C . . . . . . . . . rr_1bfw 1
. 2 . 57 . 1 1 3 . CA C -3.046 1.896 0.734 . . . 1.0 . . . . . . . . . . . . A . 159 LML CA . . . . . . . . . rr_1bfw 1
. 2 . 58 . 1 1 3 . CB C -1.635 2.487 0.736 . . . 1.0 . . . . . . . . . . . . A . 159 LML CB . . . . . . . . . rr_1bfw 1
. 2 . 59 . 1 1 3 . CG C -1.509 3.924 0.226 . . . 1.0 . . . . . . . . . . . . A . 159 LML CG . . . . . . . . . rr_1bfw 1
. 2 . 60 . 1 1 3 . HA H -3.287 1.640 -0.298 . . . 1.0 . . . . . . . . . . . . A . 159 LML HA . . . . . . . . . rr_1bfw 1
. 2 . 61 . 1 1 3 . HB2 H -1.247 2.448 1.754 . . . 1.0 . . . . . . . . . . . . A . 159 LML HB2 . . . . . . . . . rr_1bfw 1
. 2 . 62 . 1 1 3 . O O -3.767 0.679 2.674 . . . 1.0 . . . . . . . . . . . . A . 159 LML O . . . . . . . . . rr_1bfw 1
. 3 . 63 . 1 1 1 LML C C -3.013 -2.986 -2.386 . . . 1.0 . . . . . . . . . . . . A . 157 DAR C . . . . . . . . . rr_1bfw 1
. 3 . 64 . 1 1 1 LML CA C -2.585 -3.383 -0.972 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CA . . . . . . . . . rr_1bfw 1
. 3 . 65 . 1 1 1 LML CB C -1.416 -4.367 -1.058 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CB . . . . . . . . . rr_1bfw 1
. 3 . 66 . 1 1 1 LML CG C -1.733 -5.512 -2.021 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CG . . . . . . . . . rr_1bfw 1
. 3 . 67 . 1 1 1 LML HA H -3.414 -3.828 -0.422 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HA . . . . . . . . . rr_1bfw 1
. 3 . 68 . 1 1 1 LML HB2 H -0.520 -3.844 -1.391 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HB2 . . . . . . . . . rr_1bfw 1
. 3 . 69 . 1 1 1 LML O O -4.202 -2.829 -2.658 . . . 1.0 . . . . . . . . . . . . A . 157 DAR O . . . . . . . . . rr_1bfw 1
. 3 . 70 . 1 1 2 . C C -2.022 -2.275 1.103 . . . 1.0 . . . . . . . . . . . . A . 158 DGN C . . . . . . . . . rr_1bfw 1
. 3 . 71 . 1 1 2 . CA C -1.644 -0.952 1.772 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CA . . . . . . . . . rr_1bfw 1
. 3 . 72 . 1 1 2 . CB C -0.138 -0.878 2.031 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CB . . . . . . . . . rr_1bfw 1
. 3 . 73 . 1 1 2 . CD C -0.238 -2.609 3.863 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CD . . . . . . . . . rr_1bfw 1
. 3 . 74 . 1 1 2 . CG C 0.400 -2.222 2.526 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CG . . . . . . . . . rr_1bfw 1
. 3 . 75 . 1 1 2 . H2 H -1.524 0.359 0.159 . . . 1.0 . . . . . . . . . . . . A . 158 DGN H2 . . . . . . . . . rr_1bfw 1
. 3 . 76 . 1 1 2 . HA H -2.175 -0.852 2.720 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HA . . . . . . . . . rr_1bfw 1
. 3 . 77 . 1 1 2 . HB2 H 0.378 -0.591 1.115 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB2 . . . . . . . . . rr_1bfw 1
. 3 . 78 . 1 1 2 . HB3 H 0.070 -0.104 2.770 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB3 . . . . . . . . . rr_1bfw 1
. 3 . 79 . 1 1 2 . HE21 H 0.689 -1.021 4.710 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE21 . . . . . . . . . rr_1bfw 1
. 3 . 80 . 1 1 2 . HE22 H -0.286 -1.969 5.783 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE22 . . . . . . . . . rr_1bfw 1
. 3 . 81 . 1 1 2 . HG2 H 0.196 -2.995 1.785 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG2 . . . . . . . . . rr_1bfw 1
. 3 . 82 . 1 1 2 . HG3 H 1.482 -2.165 2.639 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG3 . . . . . . . . . rr_1bfw 1
. 3 . 83 . 1 1 2 . N N -2.089 0.168 0.961 . . . 1.0 . . . . . . . . . . . . A . 158 DGN N . . . . . . . . . rr_1bfw 1
. 3 . 84 . 1 1 2 . NE2 N 0.082 -1.799 4.869 . . . 1.0 . . . . . . . . . . . . A . 158 DGN NE2 . . . . . . . . . rr_1bfw 1
. 3 . 85 . 1 1 2 . O O -2.121 -3.305 1.768 . . . 1.0 . . . . . . . . . . . . A . 158 DGN O . . . . . . . . . rr_1bfw 1
. 3 . 86 . 1 1 2 . OE1 O -0.970 -3.578 3.973 . . . 1.0 . . . . . . . . . . . . A . 158 DGN OE1 . . . . . . . . . rr_1bfw 1
. 3 . 87 . 1 1 3 . C C -3.169 0.863 1.290 . . . 1.0 . . . . . . . . . . . . A . 159 LML C . . . . . . . . . rr_1bfw 1
. 3 . 88 . 1 1 3 . CA C -3.511 2.012 0.339 . . . 1.0 . . . . . . . . . . . . A . 159 LML CA . . . . . . . . . rr_1bfw 1
. 3 . 89 . 1 1 3 . CB C -2.580 3.219 0.474 . . . 1.0 . . . . . . . . . . . . A . 159 LML CB . . . . . . . . . rr_1bfw 1
. 3 . 90 . 1 1 3 . CG C -2.951 4.448 -0.358 . . . 1.0 . . . . . . . . . . . . A . 159 LML CG . . . . . . . . . rr_1bfw 1
. 3 . 91 . 1 1 3 . HA H -3.424 1.651 -0.685 . . . 1.0 . . . . . . . . . . . . A . 159 LML HA . . . . . . . . . rr_1bfw 1
. 3 . 92 . 1 1 3 . HB2 H -2.545 3.512 1.523 . . . 1.0 . . . . . . . . . . . . A . 159 LML HB2 . . . . . . . . . rr_1bfw 1
. 3 . 93 . 1 1 3 . O O -3.870 0.636 2.274 . . . 1.0 . . . . . . . . . . . . A . 159 LML O . . . . . . . . . rr_1bfw 1
. 4 . 94 . 1 1 1 LML C C -2.908 -2.921 -2.652 . . . 1.0 . . . . . . . . . . . . A . 157 DAR C . . . . . . . . . rr_1bfw 1
. 4 . 95 . 1 1 1 LML CA C -2.665 -3.345 -1.202 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CA . . . . . . . . . rr_1bfw 1
. 4 . 96 . 1 1 1 LML CB C -1.853 -4.641 -1.187 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CB . . . . . . . . . rr_1bfw 1
. 4 . 97 . 1 1 1 LML CG C -2.470 -5.687 -2.118 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CG . . . . . . . . . rr_1bfw 1
. 4 . 98 . 1 1 1 LML HA H -3.607 -3.483 -0.671 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HA . . . . . . . . . rr_1bfw 1
. 4 . 99 . 1 1 1 LML HB2 H -0.828 -4.436 -1.494 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HB2 . . . . . . . . . rr_1bfw 1
. 4 . 100 . 1 1 1 LML O O -3.990 -2.445 -2.991 . . . 1.0 . . . . . . . . . . . . A . 157 DAR O . . . . . . . . . rr_1bfw 1
. 4 . 101 . 1 1 2 . C C -2.655 -1.416 0.257 . . . 1.0 . . . . . . . . . . . . A . 158 DGN C . . . . . . . . . rr_1bfw 1
. 4 . 102 . 1 1 2 . CA C -1.798 -0.364 0.962 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CA . . . . . . . . . rr_1bfw 1
. 4 . 103 . 1 1 2 . CB C -0.543 -0.043 0.147 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CB . . . . . . . . . rr_1bfw 1
. 4 . 104 . 1 1 2 . CD C 0.130 1.229 2.218 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CD . . . . . . . . . rr_1bfw 1
. 4 . 105 . 1 1 2 . CG C 0.158 1.205 0.688 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CG . . . . . . . . . rr_1bfw 1
. 4 . 106 . 1 1 2 . H2 H -3.018 1.230 0.406 . . . 1.0 . . . . . . . . . . . . A . 158 DGN H2 . . . . . . . . . rr_1bfw 1
. 4 . 107 . 1 1 2 . HA H -1.501 -0.727 1.946 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HA . . . . . . . . . rr_1bfw 1
. 4 . 108 . 1 1 2 . HB2 H 0.141 -0.891 0.177 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB2 . . . . . . . . . rr_1bfw 1
. 4 . 109 . 1 1 2 . HB3 H -0.814 0.112 -0.897 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB3 . . . . . . . . . rr_1bfw 1
. 4 . 110 . 1 1 2 . HE21 H 0.809 -0.678 2.214 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE21 . . . . . . . . . rr_1bfw 1
. 4 . 111 . 1 1 2 . HE22 H 0.544 0.011 3.781 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE22 . . . . . . . . . rr_1bfw 1
. 4 . 112 . 1 1 2 . HG2 H 1.190 1.226 0.339 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG2 . . . . . . . . . rr_1bfw 1
. 4 . 113 . 1 1 2 . HG3 H -0.329 2.098 0.298 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG3 . . . . . . . . . rr_1bfw 1
. 4 . 114 . 1 1 2 . N N -2.577 0.836 1.213 . . . 1.0 . . . . . . . . . . . . A . 158 DGN N . . . . . . . . . rr_1bfw 1
. 4 . 115 . 1 1 2 . NE2 N 0.527 0.093 2.784 . . . 1.0 . . . . . . . . . . . . A . 158 DGN NE2 . . . . . . . . . rr_1bfw 1
. 4 . 116 . 1 1 2 . O O -3.878 -1.415 0.388 . . . 1.0 . . . . . . . . . . . . A . 158 DGN O . . . . . . . . . rr_1bfw 1
. 4 . 117 . 1 1 2 . OE1 O -0.228 2.214 2.842 . . . 1.0 . . . . . . . . . . . . A . 158 DGN OE1 . . . . . . . . . rr_1bfw 1
. 4 . 118 . 1 1 3 . C C -2.674 1.345 2.433 . . . 1.0 . . . . . . . . . . . . A . 159 LML C . . . . . . . . . rr_1bfw 1
. 4 . 119 . 1 1 3 . CA C -3.529 2.610 2.539 . . . 1.0 . . . . . . . . . . . . A . 159 LML CA . . . . . . . . . rr_1bfw 1
. 4 . 120 . 1 1 3 . CB C -2.851 3.858 1.971 . . . 1.0 . . . . . . . . . . . . A . 159 LML CB . . . . . . . . . rr_1bfw 1
. 4 . 121 . 1 1 3 . CG C -3.386 5.200 2.477 . . . 1.0 . . . . . . . . . . . . A . 159 LML CG . . . . . . . . . rr_1bfw 1
. 4 . 122 . 1 1 3 . HA H -4.447 2.455 1.972 . . . 1.0 . . . . . . . . . . . . A . 159 LML HA . . . . . . . . . rr_1bfw 1
. 4 . 123 . 1 1 3 . HB2 H -1.786 3.805 2.197 . . . 1.0 . . . . . . . . . . . . A . 159 LML HB2 . . . . . . . . . rr_1bfw 1
. 4 . 124 . 1 1 3 . O O -2.135 0.869 3.431 . . . 1.0 . . . . . . . . . . . . A . 159 LML O . . . . . . . . . rr_1bfw 1
. 5 . 125 . 1 1 1 LML C C -3.467 -2.915 -2.796 . . . 1.0 . . . . . . . . . . . . A . 157 DAR C . . . . . . . . . rr_1bfw 1
. 5 . 126 . 1 1 1 LML CA C -3.383 -3.613 -1.438 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CA . . . . . . . . . rr_1bfw 1
. 5 . 127 . 1 1 1 LML CB C -2.882 -5.045 -1.638 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CB . . . . . . . . . rr_1bfw 1
. 5 . 128 . 1 1 1 LML CG C -3.987 -5.938 -2.207 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CG . . . . . . . . . rr_1bfw 1
. 5 . 129 . 1 1 1 LML HA H -4.353 -3.618 -0.939 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HA . . . . . . . . . rr_1bfw 1
. 5 . 130 . 1 1 1 LML HB2 H -2.027 -5.044 -2.314 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HB2 . . . . . . . . . rr_1bfw 1
. 5 . 131 . 1 1 1 LML O O -4.509 -2.370 -3.155 . . . 1.0 . . . . . . . . . . . . A . 157 DAR O . . . . . . . . . rr_1bfw 1
. 5 . 132 . 1 1 2 . C C -2.482 -1.549 -0.557 . . . 1.0 . . . . . . . . . . . . A . 158 DGN C . . . . . . . . . rr_1bfw 1
. 5 . 133 . 1 1 2 . CA C -1.512 -0.913 0.441 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CA . . . . . . . . . rr_1bfw 1
. 5 . 134 . 1 1 2 . CB C -0.089 -0.883 -0.120 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CB . . . . . . . . . rr_1bfw 1
. 5 . 135 . 1 1 2 . CD C 0.373 -3.326 0.302 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CD . . . . . . . . . rr_1bfw 1
. 5 . 136 . 1 1 2 . CG C 0.278 -2.225 -0.756 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CG . . . . . . . . . rr_1bfw 1
. 5 . 137 . 1 1 2 . H2 H -1.860 1.108 0.076 . . . 1.0 . . . . . . . . . . . . A . 158 DGN H2 . . . . . . . . . rr_1bfw 1
. 5 . 138 . 1 1 2 . HA H -1.517 -1.477 1.373 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HA . . . . . . . . . rr_1bfw 1
. 5 . 139 . 1 1 2 . HB2 H -0.003 -0.089 -0.862 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB2 . . . . . . . . . rr_1bfw 1
. 5 . 140 . 1 1 2 . HB3 H 0.616 -0.650 0.679 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB3 . . . . . . . . . rr_1bfw 1
. 5 . 141 . 1 1 2 . HE21 H 0.308 -4.697 -1.186 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE21 . . . . . . . . . rr_1bfw 1
. 5 . 142 . 1 1 2 . HE22 H 0.428 -5.346 0.415 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE22 . . . . . . . . . rr_1bfw 1
. 5 . 143 . 1 1 2 . HG2 H -0.471 -2.495 -1.501 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG2 . . . . . . . . . rr_1bfw 1
. 5 . 144 . 1 1 2 . HG3 H 1.230 -2.135 -1.279 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG3 . . . . . . . . . rr_1bfw 1
. 5 . 145 . 1 1 2 . N N -1.960 0.423 0.797 . . . 1.0 . . . . . . . . . . . . A . 158 DGN N . . . . . . . . . rr_1bfw 1
. 5 . 146 . 1 1 2 . NE2 N 0.370 -4.558 -0.197 . . . 1.0 . . . . . . . . . . . . A . 158 DGN NE2 . . . . . . . . . rr_1bfw 1
. 5 . 147 . 1 1 2 . O O -3.166 -0.846 -1.298 . . . 1.0 . . . . . . . . . . . . A . 158 DGN O . . . . . . . . . rr_1bfw 1
. 5 . 148 . 1 1 2 . OE1 O 0.445 -3.073 1.494 . . . 1.0 . . . . . . . . . . . . A . 158 DGN OE1 . . . . . . . . . rr_1bfw 1
. 5 . 149 . 1 1 3 . C C -2.459 0.678 1.997 . . . 1.0 . . . . . . . . . . . . A . 159 LML C . . . . . . . . . rr_1bfw 1
. 5 . 150 . 1 1 3 . CA C -2.888 2.130 2.223 . . . 1.0 . . . . . . . . . . . . A . 159 LML CA . . . . . . . . . rr_1bfw 1
. 5 . 151 . 1 1 3 . CB C -1.715 3.097 2.398 . . . 1.0 . . . . . . . . . . . . A . 159 LML CB . . . . . . . . . rr_1bfw 1
. 5 . 152 . 1 1 3 . CG C -1.558 4.165 1.314 . . . 1.0 . . . . . . . . . . . . A . 159 LML CG . . . . . . . . . rr_1bfw 1
. 5 . 153 . 1 1 3 . HA H -3.452 2.463 1.353 . . . 1.0 . . . . . . . . . . . . A . 159 LML HA . . . . . . . . . rr_1bfw 1
. 5 . 154 . 1 1 3 . HB2 H -1.822 3.597 3.361 . . . 1.0 . . . . . . . . . . . . A . 159 LML HB2 . . . . . . . . . rr_1bfw 1
. 5 . 155 . 1 1 3 . O O -2.586 -0.157 2.891 . . . 1.0 . . . . . . . . . . . . A . 159 LML O . . . . . . . . . rr_1bfw 1
. 6 . 156 . 1 1 1 LML C C -3.230 -2.698 -2.434 . . . 1.0 . . . . . . . . . . . . A . 157 DAR C . . . . . . . . . rr_1bfw 1
. 6 . 157 . 1 1 1 LML CA C -3.003 -3.147 -0.989 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CA . . . . . . . . . rr_1bfw 1
. 6 . 158 . 1 1 1 LML CB C -2.128 -4.402 -0.984 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CB . . . . . . . . . rr_1bfw 1
. 6 . 159 . 1 1 1 LML CG C -2.673 -5.454 -1.952 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CG . . . . . . . . . rr_1bfw 1
. 6 . 160 . 1 1 1 LML HA H -3.950 -3.344 -0.487 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HA . . . . . . . . . rr_1bfw 1
. 6 . 161 . 1 1 1 LML HB2 H -1.108 -4.140 -1.262 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HB2 . . . . . . . . . rr_1bfw 1
. 6 . 162 . 1 1 1 LML O O -4.323 -2.259 -2.787 . . . 1.0 . . . . . . . . . . . . A . 157 DAR O . . . . . . . . . rr_1bfw 1
. 6 . 163 . 1 1 2 . C C -2.364 -2.119 1.104 . . . 1.0 . . . . . . . . . . . . A . 158 DGN C . . . . . . . . . rr_1bfw 1
. 6 . 164 . 1 1 2 . CA C -1.684 -0.923 1.775 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CA . . . . . . . . . rr_1bfw 1
. 6 . 165 . 1 1 2 . CB C -0.254 -1.269 2.193 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CB . . . . . . . . . rr_1bfw 1
. 6 . 166 . 1 1 2 . CD C -0.993 -2.772 4.079 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CD . . . . . . . . . rr_1bfw 1
. 6 . 167 . 1 1 2 . CG C -0.182 -2.678 2.785 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CG . . . . . . . . . rr_1bfw 1
. 6 . 168 . 1 1 2 . H2 H -1.009 0.221 0.171 . . . 1.0 . . . . . . . . . . . . A . 158 DGN H2 . . . . . . . . . rr_1bfw 1
. 6 . 169 . 1 1 2 . HA H -2.251 -0.621 2.656 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HA . . . . . . . . . rr_1bfw 1
. 6 . 170 . 1 1 2 . HB2 H 0.408 -1.199 1.331 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB2 . . . . . . . . . rr_1bfw 1
. 6 . 171 . 1 1 2 . HB3 H 0.100 -0.545 2.926 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB3 . . . . . . . . . rr_1bfw 1
. 6 . 172 . 1 1 2 . HE21 H 0.584 -1.976 5.069 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE21 . . . . . . . . . rr_1bfw 1
. 6 . 173 . 1 1 2 . HE22 H -0.795 -2.349 6.049 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE22 . . . . . . . . . rr_1bfw 1
. 6 . 174 . 1 1 2 . HG2 H -0.560 -3.400 2.062 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG2 . . . . . . . . . rr_1bfw 1
. 6 . 175 . 1 1 2 . HG3 H 0.857 -2.941 2.984 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG3 . . . . . . . . . rr_1bfw 1
. 6 . 176 . 1 1 2 . N N -1.703 0.229 0.890 . . . 1.0 . . . . . . . . . . . . A . 158 DGN N . . . . . . . . . rr_1bfw 1
. 6 . 177 . 1 1 2 . NE2 N -0.348 -2.329 5.155 . . . 1.0 . . . . . . . . . . . . A . 158 DGN NE2 . . . . . . . . . rr_1bfw 1
. 6 . 178 . 1 1 2 . O O -2.839 -3.028 1.783 . . . 1.0 . . . . . . . . . . . . A . 158 DGN O . . . . . . . . . rr_1bfw 1
. 6 . 179 . 1 1 2 . OE1 O -2.129 -3.216 4.100 . . . 1.0 . . . . . . . . . . . . A . 158 DGN OE1 . . . . . . . . . rr_1bfw 1
. 6 . 180 . 1 1 3 . C C -2.590 1.200 1.053 . . . 1.0 . . . . . . . . . . . . A . 159 LML C . . . . . . . . . rr_1bfw 1
. 6 . 181 . 1 1 3 . CA C -2.486 2.346 0.044 . . . 1.0 . . . . . . . . . . . . A . 159 LML CA . . . . . . . . . rr_1bfw 1
. 6 . 182 . 1 1 3 . CB C -1.295 3.274 0.289 . . . 1.0 . . . . . . . . . . . . A . 159 LML CB . . . . . . . . . rr_1bfw 1
. 6 . 183 . 1 1 3 . CG C -1.375 4.656 -0.364 . . . 1.0 . . . . . . . . . . . . A . 159 LML CG . . . . . . . . . rr_1bfw 1
. 6 . 184 . 1 1 3 . HA H -2.362 1.919 -0.951 . . . 1.0 . . . . . . . . . . . . A . 159 LML HA . . . . . . . . . rr_1bfw 1
. 6 . 185 . 1 1 3 . HB2 H -1.179 3.409 1.365 . . . 1.0 . . . . . . . . . . . . A . 159 LML HB2 . . . . . . . . . rr_1bfw 1
. 6 . 186 . 1 1 3 . O O -3.448 1.219 1.934 . . . 1.0 . . . . . . . . . . . . A . 159 LML O . . . . . . . . . rr_1bfw 1
. 7 . 187 . 1 1 1 LML C C -3.519 -3.445 -2.670 . . . 1.0 . . . . . . . . . . . . A . 157 DAR C . . . . . . . . . rr_1bfw 1
. 7 . 188 . 1 1 1 LML CA C -3.508 -3.884 -1.204 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CA . . . . . . . . . rr_1bfw 1
. 7 . 189 . 1 1 1 LML CB C -3.018 -5.331 -1.116 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CB . . . . . . . . . rr_1bfw 1
. 7 . 190 . 1 1 1 LML CG C -3.844 -6.246 -2.021 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CG . . . . . . . . . rr_1bfw 1
. 7 . 191 . 1 1 1 LML HA H -4.500 -3.794 -0.761 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HA . . . . . . . . . rr_1bfw 1
. 7 . 192 . 1 1 1 LML HB2 H -1.968 -5.380 -1.404 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HB2 . . . . . . . . . rr_1bfw 1
. 7 . 193 . 1 1 1 LML O O -4.567 -3.444 -3.314 . . . 1.0 . . . . . . . . . . . . A . 157 DAR O . . . . . . . . . rr_1bfw 1
. 7 . 194 . 1 1 2 . C C -2.623 -1.698 -0.670 . . . 1.0 . . . . . . . . . . . . A . 158 DGN C . . . . . . . . . rr_1bfw 1
. 7 . 195 . 1 1 2 . CA C -1.693 -0.894 0.241 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CA . . . . . . . . . rr_1bfw 1
. 7 . 196 . 1 1 2 . CB C -0.234 -1.044 -0.195 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CB . . . . . . . . . rr_1bfw 1
. 7 . 197 . 1 1 2 . CD C 0.028 -3.180 1.122 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CD . . . . . . . . . rr_1bfw 1
. 7 . 198 . 1 1 2 . CG C 0.172 -2.519 -0.251 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CG . . . . . . . . . rr_1bfw 1
. 7 . 199 . 1 1 2 . H2 H -2.647 0.795 -0.519 . . . 1.0 . . . . . . . . . . . . A . 158 DGN H2 . . . . . . . . . rr_1bfw 1
. 7 . 200 . 1 1 2 . HA H -1.796 -1.237 1.270 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HA . . . . . . . . . rr_1bfw 1
. 7 . 201 . 1 1 2 . HB2 H -0.094 -0.587 -1.174 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB2 . . . . . . . . . rr_1bfw 1
. 7 . 202 . 1 1 2 . HB3 H 0.414 -0.511 0.501 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB3 . . . . . . . . . rr_1bfw 1
. 7 . 203 . 1 1 2 . HE21 H -0.345 -4.935 0.185 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE21 . . . . . . . . . rr_1bfw 1
. 7 . 204 . 1 1 2 . HE22 H -0.362 -5.000 1.916 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE22 . . . . . . . . . rr_1bfw 1
. 7 . 205 . 1 1 2 . HG2 H -0.449 -3.043 -0.978 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG2 . . . . . . . . . rr_1bfw 1
. 7 . 206 . 1 1 2 . HG3 H 1.203 -2.603 -0.593 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG3 . . . . . . . . . rr_1bfw 1
. 7 . 207 . 1 1 2 . N N -2.090 0.504 0.259 . . . 1.0 . . . . . . . . . . . . A . 158 DGN N . . . . . . . . . rr_1bfw 1
. 7 . 208 . 1 1 2 . NE2 N -0.249 -4.479 1.070 . . . 1.0 . . . . . . . . . . . . A . 158 DGN NE2 . . . . . . . . . rr_1bfw 1
. 7 . 209 . 1 1 2 . O O -3.263 -1.138 -1.559 . . . 1.0 . . . . . . . . . . . . A . 158 DGN O . . . . . . . . . rr_1bfw 1
. 7 . 210 . 1 1 2 . OE1 O 0.161 -2.551 2.159 . . . 1.0 . . . . . . . . . . . . A . 158 DGN OE1 . . . . . . . . . rr_1bfw 1
. 7 . 211 . 1 1 3 . C C -1.721 1.305 1.248 . . . 1.0 . . . . . . . . . . . . A . 159 LML C . . . . . . . . . rr_1bfw 1
. 7 . 212 . 1 1 3 . CA C -2.215 2.748 1.127 . . . 1.0 . . . . . . . . . . . . A . 159 LML CA . . . . . . . . . rr_1bfw 1
. 7 . 213 . 1 1 3 . CB C -1.474 3.565 0.067 . . . 1.0 . . . . . . . . . . . . A . 159 LML CB . . . . . . . . . rr_1bfw 1
. 7 . 214 . 1 1 3 . CG C -1.502 5.084 0.249 . . . 1.0 . . . . . . . . . . . . A . 159 LML CG . . . . . . . . . rr_1bfw 1
. 7 . 215 . 1 1 3 . HA H -3.267 2.731 0.843 . . . 1.0 . . . . . . . . . . . . A . 159 LML HA . . . . . . . . . rr_1bfw 1
. 7 . 216 . 1 1 3 . HB2 H -0.434 3.241 0.047 . . . 1.0 . . . . . . . . . . . . A . 159 LML HB2 . . . . . . . . . rr_1bfw 1
. 7 . 217 . 1 1 3 . O O -1.036 0.957 2.208 . . . 1.0 . . . . . . . . . . . . A . 159 LML O . . . . . . . . . rr_1bfw 1
. 8 . 218 . 1 1 1 LML C C -3.506 -3.049 -2.788 . . . 1.0 . . . . . . . . . . . . A . 157 DAR C . . . . . . . . . rr_1bfw 1
. 8 . 219 . 1 1 1 LML CA C -3.405 -3.975 -1.574 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CA . . . . . . . . . rr_1bfw 1
. 8 . 220 . 1 1 1 LML CB C -2.629 -5.234 -1.965 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CB . . . . . . . . . rr_1bfw 1
. 8 . 221 . 1 1 1 LML CG C -3.188 -5.845 -3.252 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CG . . . . . . . . . rr_1bfw 1
. 8 . 222 . 1 1 1 LML HA H -4.394 -4.241 -1.201 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HA . . . . . . . . . rr_1bfw 1
. 8 . 223 . 1 1 1 LML HB2 H -1.576 -4.989 -2.102 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HB2 . . . . . . . . . rr_1bfw 1
. 8 . 224 . 1 1 1 LML O O -4.540 -2.420 -3.009 . . . 1.0 . . . . . . . . . . . . A . 157 DAR O . . . . . . . . . rr_1bfw 1
. 8 . 225 . 1 1 2 . C C -2.994 -2.003 -0.235 . . . 1.0 . . . . . . . . . . . . A . 158 DGN C . . . . . . . . . rr_1bfw 1
. 8 . 226 . 1 1 2 . CA C -2.246 -1.418 0.965 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CA . . . . . . . . . rr_1bfw 1
. 8 . 227 . 1 1 2 . CB C -0.903 -2.121 1.170 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CB . . . . . . . . . rr_1bfw 1
. 8 . 228 . 1 1 2 . CD C -0.869 -0.807 3.321 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CD . . . . . . . . . rr_1bfw 1
. 8 . 229 . 1 1 2 . CG C -0.030 -1.356 2.166 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CG . . . . . . . . . rr_1bfw 1
. 8 . 230 . 1 1 2 . H2 H -1.619 0.285 -0.058 . . . 1.0 . . . . . . . . . . . . A . 158 DGN H2 . . . . . . . . . rr_1bfw 1
. 8 . 231 . 1 1 2 . HA H -2.849 -1.529 1.866 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HA . . . . . . . . . rr_1bfw 1
. 8 . 232 . 1 1 2 . HB2 H -1.071 -3.136 1.532 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB2 . . . . . . . . . rr_1bfw 1
. 8 . 233 . 1 1 2 . HB3 H -0.384 -2.206 0.215 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB3 . . . . . . . . . rr_1bfw 1
. 8 . 234 . 1 1 2 . HE21 H 0.287 0.855 3.309 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE21 . . . . . . . . . rr_1bfw 1
. 8 . 235 . 1 1 2 . HE22 H -0.974 0.839 4.496 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE22 . . . . . . . . . rr_1bfw 1
. 8 . 236 . 1 1 2 . HG2 H 0.746 -2.015 2.556 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG2 . . . . . . . . . rr_1bfw 1
. 8 . 237 . 1 1 2 . HG3 H 0.475 -0.535 1.656 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG3 . . . . . . . . . rr_1bfw 1
. 8 . 238 . 1 1 2 . N N -2.064 0.014 0.796 . . . 1.0 . . . . . . . . . . . . A . 158 DGN N . . . . . . . . . rr_1bfw 1
. 8 . 239 . 1 1 2 . NE2 N -0.487 0.395 3.744 . . . 1.0 . . . . . . . . . . . . A . 158 DGN NE2 . . . . . . . . . rr_1bfw 1
. 8 . 240 . 1 1 2 . O O -3.745 -1.298 -0.907 . . . 1.0 . . . . . . . . . . . . A . 158 DGN O . . . . . . . . . rr_1bfw 1
. 8 . 241 . 1 1 2 . OE1 O -1.801 -1.433 3.798 . . . 1.0 . . . . . . . . . . . . A . 158 DGN OE1 . . . . . . . . . rr_1bfw 1
. 8 . 242 . 1 1 3 . C C -2.470 0.867 1.725 . . . 1.0 . . . . . . . . . . . . A . 159 LML C . . . . . . . . . rr_1bfw 1
. 8 . 243 . 1 1 3 . CA C -2.210 2.341 1.405 . . . 1.0 . . . . . . . . . . . . A . 159 LML CA . . . . . . . . . rr_1bfw 1
. 8 . 244 . 1 1 3 . CB C -2.622 2.744 -0.013 . . . 1.0 . . . . . . . . . . . . A . 159 LML CB . . . . . . . . . rr_1bfw 1
. 8 . 245 . 1 1 3 . CG C -1.769 3.827 -0.677 . . . 1.0 . . . . . . . . . . . . A . 159 LML CG . . . . . . . . . rr_1bfw 1
. 8 . 246 . 1 1 3 . HA H -2.791 2.952 2.095 . . . 1.0 . . . . . . . . . . . . A . 159 LML HA . . . . . . . . . rr_1bfw 1
. 8 . 247 . 1 1 3 . HB2 H -2.600 1.855 -0.643 . . . 1.0 . . . . . . . . . . . . A . 159 LML HB2 . . . . . . . . . rr_1bfw 1
. 8 . 248 . 1 1 3 . O O -3.018 0.543 2.777 . . . 1.0 . . . . . . . . . . . . A . 159 LML O . . . . . . . . . rr_1bfw 1
. 9 . 249 . 1 1 1 LML C C -3.429 -2.861 -2.748 . . . 1.0 . . . . . . . . . . . . A . 157 DAR C . . . . . . . . . rr_1bfw 1
. 9 . 250 . 1 1 1 LML CA C -3.460 -3.462 -1.341 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CA . . . . . . . . . rr_1bfw 1
. 9 . 251 . 1 1 1 LML CB C -2.622 -4.742 -1.322 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CB . . . . . . . . . rr_1bfw 1
. 9 . 252 . 1 1 1 LML CG C -3.012 -5.670 -2.474 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CG . . . . . . . . . rr_1bfw 1
. 9 . 253 . 1 1 1 LML HA H -4.482 -3.675 -1.028 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HA . . . . . . . . . rr_1bfw 1
. 9 . 254 . 1 1 1 LML HB2 H -1.564 -4.489 -1.396 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HB2 . . . . . . . . . rr_1bfw 1
. 9 . 255 . 1 1 1 LML O O -4.438 -2.350 -3.231 . . . 1.0 . . . . . . . . . . . . A . 157 DAR O . . . . . . . . . rr_1bfw 1
. 9 . 256 . 1 1 2 . C C -3.100 -2.713 0.930 . . . 1.0 . . . . . . . . . . . . A . 158 DGN C . . . . . . . . . rr_1bfw 1
. 9 . 257 . 1 1 2 . CA C -2.533 -1.612 1.828 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CA . . . . . . . . . rr_1bfw 1
. 9 . 258 . 1 1 2 . CB C -1.216 -2.052 2.471 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CB . . . . . . . . . rr_1bfw 1
. 9 . 259 . 1 1 2 . CD C -2.335 -3.665 4.054 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CD . . . . . . . . . rr_1bfw 1
. 9 . 260 . 1 1 2 . CG C -1.295 -3.505 2.943 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CG . . . . . . . . . rr_1bfw 1
. 9 . 261 . 1 1 2 . H2 H -1.597 -0.393 0.421 . . . 1.0 . . . . . . . . . . . . A . 158 DGN H2 . . . . . . . . . rr_1bfw 1
. 9 . 262 . 1 1 2 . HA H -3.249 -1.368 2.612 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HA . . . . . . . . . rr_1bfw 1
. 9 . 263 . 1 1 2 . HB2 H -0.403 -1.942 1.753 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB2 . . . . . . . . . rr_1bfw 1
. 9 . 264 . 1 1 2 . HB3 H -0.985 -1.403 3.316 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB3 . . . . . . . . . rr_1bfw 1
. 9 . 265 . 1 1 2 . HE21 H -0.821 -3.754 5.394 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE21 . . . . . . . . . rr_1bfw 1
. 9 . 266 . 1 1 2 . HE22 H -2.412 -3.886 6.064 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE22 . . . . . . . . . rr_1bfw 1
. 9 . 267 . 1 1 2 . HG2 H -1.553 -4.150 2.103 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG2 . . . . . . . . . rr_1bfw 1
. 9 . 268 . 1 1 2 . HG3 H -0.319 -3.827 3.305 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG3 . . . . . . . . . rr_1bfw 1
. 9 . 269 . 1 1 2 . N N -2.358 -0.384 1.070 . . . 1.0 . . . . . . . . . . . . A . 158 DGN N . . . . . . . . . rr_1bfw 1
. 9 . 270 . 1 1 2 . NE2 N -1.813 -3.778 5.271 . . . 1.0 . . . . . . . . . . . . A . 158 DGN NE2 . . . . . . . . . rr_1bfw 1
. 9 . 271 . 1 1 2 . O O -3.632 -3.707 1.422 . . . 1.0 . . . . . . . . . . . . A . 158 DGN O . . . . . . . . . rr_1bfw 1
. 9 . 272 . 1 1 2 . OE1 O -3.533 -3.684 3.820 . . . 1.0 . . . . . . . . . . . . A . 158 DGN OE1 . . . . . . . . . rr_1bfw 1
. 9 . 273 . 1 1 3 . C C -3.165 0.651 1.252 . . . 1.0 . . . . . . . . . . . . A . 159 LML C . . . . . . . . . rr_1bfw 1
. 9 . 274 . 1 1 3 . CA C -2.856 1.871 0.381 . . . 1.0 . . . . . . . . . . . . A . 159 LML CA . . . . . . . . . rr_1bfw 1
. 9 . 275 . 1 1 3 . CB C -1.613 2.644 0.827 . . . 1.0 . . . . . . . . . . . . A . 159 LML CB . . . . . . . . . rr_1bfw 1
. 9 . 276 . 1 1 3 . CG C -1.523 4.098 0.357 . . . 1.0 . . . . . . . . . . . . A . 159 LML CG . . . . . . . . . rr_1bfw 1
. 9 . 277 . 1 1 3 . HA H -2.676 1.532 -0.638 . . . 1.0 . . . . . . . . . . . . A . 159 LML HA . . . . . . . . . rr_1bfw 1
. 9 . 278 . 1 1 3 . HB2 H -1.572 2.632 1.916 . . . 1.0 . . . . . . . . . . . . A . 159 LML HB2 . . . . . . . . . rr_1bfw 1
. 9 . 279 . 1 1 3 . O O -4.103 0.672 2.047 . . . 1.0 . . . . . . . . . . . . A . 159 LML O . . . . . . . . . rr_1bfw 1
. 10 . 280 . 1 1 1 LML C C -3.388 -2.887 -2.732 . . . 1.0 . . . . . . . . . . . . A . 157 DAR C . . . . . . . . . rr_1bfw 1
. 10 . 281 . 1 1 1 LML CA C -3.333 -3.424 -1.300 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CA . . . . . . . . . rr_1bfw 1
. 10 . 282 . 1 1 1 LML CB C -2.498 -4.705 -1.274 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CB . . . . . . . . . rr_1bfw 1
. 10 . 283 . 1 1 1 LML CG C -2.960 -5.682 -2.357 . . . 1.0 . . . . . . . . . . . . A . 157 DAR CG . . . . . . . . . rr_1bfw 1
. 10 . 284 . 1 1 1 LML HA H -4.334 -3.618 -0.915 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HA . . . . . . . . . rr_1bfw 1
. 10 . 285 . 1 1 1 LML HB2 H -1.446 -4.461 -1.425 . . . 1.0 . . . . . . . . . . . . A . 157 DAR HB2 . . . . . . . . . rr_1bfw 1
. 10 . 286 . 1 1 1 LML O O -4.425 -2.394 -3.174 . . . 1.0 . . . . . . . . . . . . A . 157 DAR O . . . . . . . . . rr_1bfw 1
. 10 . 287 . 1 1 2 . C C -3.156 -2.354 0.862 . . . 1.0 . . . . . . . . . . . . A . 158 DGN C . . . . . . . . . rr_1bfw 1
. 10 . 288 . 1 1 2 . CA C -2.486 -1.246 1.678 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CA . . . . . . . . . rr_1bfw 1
. 10 . 289 . 1 1 2 . CB C -1.113 -1.692 2.185 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CB . . . . . . . . . rr_1bfw 1
. 10 . 290 . 1 1 2 . CD C -2.266 -3.296 3.753 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CD . . . . . . . . . rr_1bfw 1
. 10 . 291 . 1 1 2 . CG C -1.162 -3.130 2.707 . . . 1.0 . . . . . . . . . . . . A . 158 DGN CG . . . . . . . . . rr_1bfw 1
. 10 . 292 . 1 1 2 . H2 H -2.602 -0.138 -0.082 . . . 1.0 . . . . . . . . . . . . A . 158 DGN H2 . . . . . . . . . rr_1bfw 1
. 10 . 293 . 1 1 2 . HA H -3.113 -0.984 2.530 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HA . . . . . . . . . rr_1bfw 1
. 10 . 294 . 1 1 2 . HB2 H -0.383 -1.618 1.379 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB2 . . . . . . . . . rr_1bfw 1
. 10 . 295 . 1 1 2 . HB3 H -0.780 -1.024 2.979 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HB3 . . . . . . . . . rr_1bfw 1
. 10 . 296 . 1 1 2 . HE21 H -2.250 -5.287 3.383 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE21 . . . . . . . . . rr_1bfw 1
. 10 . 297 . 1 1 2 . HE22 H -3.386 -4.765 4.582 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HE22 . . . . . . . . . rr_1bfw 1
. 10 . 298 . 1 1 2 . HG2 H -1.335 -3.816 1.877 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG2 . . . . . . . . . rr_1bfw 1
. 10 . 299 . 1 1 2 . HG3 H -0.199 -3.394 3.143 . . . 1.0 . . . . . . . . . . . . A . 158 DGN HG3 . . . . . . . . . rr_1bfw 1
. 10 . 300 . 1 1 2 . N N -2.380 -0.032 0.888 . . . 1.0 . . . . . . . . . . . . A . 158 DGN N . . . . . . . . . rr_1bfw 1
. 10 . 301 . 1 1 2 . NE2 N -2.667 -4.553 3.920 . . . 1.0 . . . . . . . . . . . . A . 158 DGN NE2 . . . . . . . . . rr_1bfw 1
. 10 . 302 . 1 1 2 . O O -3.978 -3.105 1.385 . . . 1.0 . . . . . . . . . . . . A . 158 DGN O . . . . . . . . . rr_1bfw 1
. 10 . 303 . 1 1 2 . OE1 O -2.723 -2.347 4.367 . . . 1.0 . . . . . . . . . . . . A . 158 DGN OE1 . . . . . . . . . rr_1bfw 1
. 10 . 304 . 1 1 3 . C C -2.014 1.114 1.443 . . . 1.0 . . . . . . . . . . . . A . 159 LML C . . . . . . . . . rr_1bfw 1
. 10 . 305 . 1 1 3 . CA C -1.948 2.305 0.484 . . . 1.0 . . . . . . . . . . . . A . 159 LML CA . . . . . . . . . rr_1bfw 1
. 10 . 306 . 1 1 3 . CB C -3.319 2.877 0.120 . . . 1.0 . . . . . . . . . . . . A . 159 LML CB . . . . . . . . . rr_1bfw 1
. 10 . 307 . 1 1 3 . CG C -3.386 4.394 -0.063 . . . 1.0 . . . . . . . . . . . . A . 159 LML CG . . . . . . . . . rr_1bfw 1
. 10 . 308 . 1 1 3 . HA H -1.382 3.104 0.963 . . . 1.0 . . . . . . . . . . . . A . 159 LML HA . . . . . . . . . rr_1bfw 1
. 10 . 309 . 1 1 3 . HB2 H -3.656 2.404 -0.803 . . . 1.0 . . . . . . . . . . . . A . 159 LML HB2 . . . . . . . . . rr_1bfw 1
. 10 . 310 . 1 1 3 . O O -1.738 1.255 2.633 . . . 1.0 . . . . . . . . . . . . A . 159 LML O . . . . . . . . . rr_1bfw 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_1bfw
_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 1bfw.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1bfw 1
1 1bfw.mr . . DYANA/DIANA 2 distance NOE simple 120 rr_1bfw 1
1 1bfw.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1bfw 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_1bfw
_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: '1bfw'" . . . . distance "general distance" . 0 rr_1bfw 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 1bfw.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1bfw 1
1 1bfw.mr . . DYANA/DIANA 2 distance NOE simple 120 rr_1bfw 1
1 1bfw.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1bfw 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1bfw
_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_1bfw 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 "lower distance restraints" 1 1 1 27 rr_1bfw 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) ' .159.HA' (nmrStar names),' .159.QB' (nmrStar names) not linked" rr_1bfw 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .159.HA' (nmrStar names),' .159.HG' (nmrStar names) not linked" rr_1bfw 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .159.HA' (nmrStar names),' .159.QQD' (nmrStar names) not linked" rr_1bfw 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .159.HA' (nmrStar names),' .158.HN' (nmrStar names) not linked" rr_1bfw 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .159.QB' (nmrStar names),' .159.HG' (nmrStar names) not linked" rr_1bfw 1
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .159.QB' (nmrStar names),' .159.QQD' (nmrStar names) not linked" rr_1bfw 1
7 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .159.HG' (nmrStar names),' .159.QQD' (nmrStar names) not linked" rr_1bfw 1
8 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .159.QQD' (nmrStar names),' .150.HG' (nmrStar names) not linked" rr_1bfw 1
9 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .158.HN' (nmrStar names),' .158.HA' (nmrStar names) not linked" rr_1bfw 1
10 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .158.HN' (nmrStar names),' .158.QB' (nmrStar names) not linked" rr_1bfw 1
11 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .158.HN' (nmrStar names),' .158.QG' (nmrStar names) not linked" rr_1bfw 1
12 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .158.HA' (nmrStar names),' .158.QB' (nmrStar names) not linked" rr_1bfw 1
13 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .158.HA' (nmrStar names),' .158.QG' (nmrStar names) not linked" rr_1bfw 1
14 2 14 1 "Not handling restraint 14, item 1, resonance(s) ' .158.HA' (nmrStar names),' .157.HN' (nmrStar names) not linked" rr_1bfw 1
15 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .157.HN' (nmrStar names),' .157.HA' (nmrStar names) not linked" rr_1bfw 1
16 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .157.HN' (nmrStar names),' .157.QB' (nmrStar names) not linked" rr_1bfw 1
17 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .157.HN' (nmrStar names),' .157.QG' (nmrStar names) not linked" rr_1bfw 1
18 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .157.HN' (nmrStar names),' .157.QD' (nmrStar names) not linked" rr_1bfw 1
19 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .157.HN' (nmrStar names),' .156.HN' (nmrStar names) not linked" rr_1bfw 1
20 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .157.HA' (nmrStar names),' .157.QB' (nmrStar names) not linked" rr_1bfw 1
21 2 21 1 "Not handling restraint 21, item 1, resonance(s) ' .157.HA' (nmrStar names),' .157.QG' (nmrStar names) not linked" rr_1bfw 1
22 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .157.HA' (nmrStar names),' .157.QD' (nmrStar names) not linked" rr_1bfw 1
23 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .157.HA' (nmrStar names),' .157.HE' (nmrStar names) not linked" rr_1bfw 1
24 2 24 1 "Not handling restraint 24, item 1, resonance(s) ' .157.HA' (nmrStar names),' .156.HN' (nmrStar names) not linked" rr_1bfw 1
25 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .156.HN' (nmrStar names),' .156.HA' (nmrStar names) not linked" rr_1bfw 1
26 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .156.HN' (nmrStar names),' .156.QB' (nmrStar names) not linked" rr_1bfw 1
27 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .156.HA' (nmrStar names),' .156.QB' (nmrStar names) not linked" rr_1bfw 1
28 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .156.HA' (nmrStar names),' .155.HN' (nmrStar names) not linked" rr_1bfw 1
29 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .156.QB' (nmrStar names),' .155.HN' (nmrStar names) not linked" rr_1bfw 1
30 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .155.HN' (nmrStar names),' .155.HA' (nmrStar names) not linked" rr_1bfw 1
31 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .155.HN' (nmrStar names),' .155.HB' (nmrStar names) not linked" rr_1bfw 1
32 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .155.HN' (nmrStar names),' .155.QQG' (nmrStar names) not linked" rr_1bfw 1
33 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .155.HN' (nmrStar names),' .154.HN' (nmrStar names) not linked" rr_1bfw 1
34 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .155.HA' (nmrStar names),' .155.HB' (nmrStar names) not linked" rr_1bfw 1
35 2 35 1 "Not handling restraint 35, item 1, resonance(s) ' .155.HA' (nmrStar names),' .155.QQG' (nmrStar names) not linked" rr_1bfw 1
36 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .155.HA' (nmrStar names),' .154.HN' (nmrStar names) not linked" rr_1bfw 1
37 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .155.HB' (nmrStar names),' .154.HN' (nmrStar names) not linked" rr_1bfw 1
38 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .154.HN' (nmrStar names),' .154.HA' (nmrStar names) not linked" rr_1bfw 1
39 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .154.HN' (nmrStar names),' .154.QB' (nmrStar names) not linked" rr_1bfw 1
40 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .154.HN' (nmrStar names),' .154.QG' (nmrStar names) not linked" rr_1bfw 1
41 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .154.HN' (nmrStar names),' .154.QD' (nmrStar names) not linked" rr_1bfw 1
42 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .154.HN' (nmrStar names),' .151.QQD' (nmrStar names) not linked" rr_1bfw 1
43 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .154.HA' (nmrStar names),' .154.QB' (nmrStar names) not linked" rr_1bfw 1
44 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .154.HA' (nmrStar names),' .154.QG' (nmrStar names) not linked" rr_1bfw 1
45 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .154.HA' (nmrStar names),' .154.QD' (nmrStar names) not linked" rr_1bfw 1
46 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .154.HA' (nmrStar names),' .154.HE' (nmrStar names) not linked" rr_1bfw 1
47 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .154.HA' (nmrStar names),' .153.QB' (nmrStar names) not linked" rr_1bfw 1
48 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .154.HA' (nmrStar names),' .153.QG' (nmrStar names) not linked" rr_1bfw 1
49 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .154.HA' (nmrStar names),' .153.QD' (nmrStar names) not linked" rr_1bfw 1
50 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .153.QB' (nmrStar names),' .153.HA' (nmrStar names) not linked" rr_1bfw 1
51 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .153.QG' (nmrStar names),' .153.HA' (nmrStar names) not linked" rr_1bfw 1
52 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .153.QD' (nmrStar names),' .153.HA' (nmrStar names) not linked" rr_1bfw 1
53 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .153.HA' (nmrStar names),' .152.HN' (nmrStar names) not linked" rr_1bfw 1
54 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .153.QB' (nmrStar names),' .152.HN' (nmrStar names) not linked" rr_1bfw 1
55 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .153.QG' (nmrStar names),' .152.HN' (nmrStar names) not linked" rr_1bfw 1
56 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .153.QD' (nmrStar names),' .152.HN' (nmrStar names) not linked" rr_1bfw 1
57 2 57 1 "Not handling restraint 57, item 1, resonance(s) ' .152.HN' (nmrStar names),' .152.HA' (nmrStar names) not linked" rr_1bfw 1
58 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .152.HN' (nmrStar names),' .152.QB' (nmrStar names) not linked" rr_1bfw 1
59 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .152.HA' (nmrStar names),' .152.QB' (nmrStar names) not linked" rr_1bfw 1
60 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .152.HA' (nmrStar names),' .151.HN' (nmrStar names) not linked" rr_1bfw 1
61 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .152.QB' (nmrStar names),' .151.HN' (nmrStar names) not linked" rr_1bfw 1
62 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .151.HN' (nmrStar names),' .151.HA' (nmrStar names) not linked" rr_1bfw 1
63 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .151.HN' (nmrStar names),' .151.QB' (nmrStar names) not linked" rr_1bfw 1
64 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .151.HN' (nmrStar names),' .151.HG' (nmrStar names) not linked" rr_1bfw 1
65 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .151.QQD' (nmrStar names),' .151.HN' (nmrStar names) not linked" rr_1bfw 1
66 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .151.HA' (nmrStar names),' .151.QB' (nmrStar names) not linked" rr_1bfw 1
67 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .151.HA' (nmrStar names),' .151.HG' (nmrStar names) not linked" rr_1bfw 1
68 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .151.QQD' (nmrStar names),' .151.HA' (nmrStar names) not linked" rr_1bfw 1
69 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .150.HN' (nmrStar names),' .150.HA' (nmrStar names) not linked" rr_1bfw 1
70 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .150.HN' (nmrStar names),' .150.QB' (nmrStar names) not linked" rr_1bfw 1
71 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .150.HA' (nmrStar names),' .150.QB' (nmrStar names) not linked" rr_1bfw 1
72 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .150.HA' (nmrStar names),' .149.HN' (nmrStar names) not linked" rr_1bfw 1
73 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .150.QB' (nmrStar names),' .149.HN' (nmrStar names) not linked" rr_1bfw 1
74 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .149.HN' (nmrStar names),' .149.QA' (nmrStar names) not linked" rr_1bfw 1
75 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .149.HN' (nmrStar names),' .148.HN' (nmrStar names) not linked" rr_1bfw 1
76 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .149.QA' (nmrStar names),' .148.HN' (nmrStar names) not linked" rr_1bfw 1
77 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .148.HN' (nmrStar names),' .148.HA' (nmrStar names) not linked" rr_1bfw 1
78 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .148.HN' (nmrStar names),' .148.QB' (nmrStar names) not linked" rr_1bfw 1
79 2 79 1 "Not handling restraint 79, item 1, resonance(s) ' .148.HN' (nmrStar names),' .148.QD' (nmrStar names) not linked" rr_1bfw 1
80 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .148.HA' (nmrStar names),' .148.QB' (nmrStar names) not linked" rr_1bfw 1
81 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .148.HA' (nmrStar names),' .148.QD' (nmrStar names) not linked" rr_1bfw 1
82 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .148.HA' (nmrStar names),' .147.HN' (nmrStar names) not linked" rr_1bfw 1
83 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .148.QB' (nmrStar names),' .147.HN' (nmrStar names) not linked" rr_1bfw 1
84 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .148.QD' (nmrStar names),' .147.HN' (nmrStar names) not linked" rr_1bfw 1
85 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .147.HN' (nmrStar names),' .147.HA' (nmrStar names) not linked" rr_1bfw 1
86 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .147.HN' (nmrStar names),' .147.QB' (nmrStar names) not linked" rr_1bfw 1
87 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .147.HN' (nmrStar names),' .146.HN' (nmrStar names) not linked" rr_1bfw 1
88 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .147.HA' (nmrStar names),' .147.QB' (nmrStar names) not linked" rr_1bfw 1
89 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .147.HA' (nmrStar names),' .146.HN' (nmrStar names) not linked" rr_1bfw 1
90 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .147.QB' (nmrStar names),' .146.HN' (nmrStar names) not linked" rr_1bfw 1
91 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .146.HN' (nmrStar names),' .146.QA' (nmrStar names) not linked" rr_1bfw 1
92 2 92 1 "Not handling restraint 92, item 1, resonance(s) ' .146.HN' (nmrStar names),' .145.HN' (nmrStar names) not linked" rr_1bfw 1
93 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .146.QA' (nmrStar names),' .145.HN' (nmrStar names) not linked" rr_1bfw 1
94 2 94 1 "Not handling restraint 94, item 1, resonance(s) ' .145.HN' (nmrStar names),' .145.HA' (nmrStar names) not linked" rr_1bfw 1
95 2 95 1 "Not handling restraint 95, item 1, resonance(s) ' .145.HN' (nmrStar names),' .145.QB' (nmrStar names) not linked" rr_1bfw 1
96 2 96 1 "Not handling restraint 96, item 1, resonance(s) ' .145.HN' (nmrStar names),' .145.QG' (nmrStar names) not linked" rr_1bfw 1
97 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .145.HN' (nmrStar names),' .145.QD' (nmrStar names) not linked" rr_1bfw 1
98 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .145.HN' (nmrStar names),' .144.HN' (nmrStar names) not linked" rr_1bfw 1
99 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .145.HA' (nmrStar names),' .145.QB' (nmrStar names) not linked" rr_1bfw 1
100 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .145.HA' (nmrStar names),' .145.QG' (nmrStar names) not linked" rr_1bfw 1
101 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .145.HA' (nmrStar names),' .145.QD' (nmrStar names) not linked" rr_1bfw 1
102 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .145.HA' (nmrStar names),' .145.HE' (nmrStar names) not linked" rr_1bfw 1
103 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .145.HA' (nmrStar names),' .144.HN' (nmrStar names) not linked" rr_1bfw 1
104 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .145.QB' (nmrStar names),' .144.HN' (nmrStar names) not linked" rr_1bfw 1
105 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .144.HN' (nmrStar names),' .144.HA' (nmrStar names) not linked" rr_1bfw 1
106 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .144.HN' (nmrStar names),' .144.HB' (nmrStar names) not linked" rr_1bfw 1
107 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .144.HN' (nmrStar names),' .143.QA' (nmrStar names) not linked" rr_1bfw 1
108 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .144.HA' (nmrStar names),' .144.HB' (nmrStar names) not linked" rr_1bfw 1
109 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .144.HA' (nmrStar names),' .144.QQG' (nmrStar names) not linked" rr_1bfw 1
110 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .144.HA' (nmrStar names),' .143.HN' (nmrStar names) not linked" rr_1bfw 1
111 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .144.HB' (nmrStar names),' .144.QQG' (nmrStar names) not linked" rr_1bfw 1
112 2 112 1 "Not handling restraint 112, item 1, resonance(s) ' .144.HB' (nmrStar names),' .143.HN' (nmrStar names) not linked" rr_1bfw 1
113 2 113 1 "Not handling restraint 113, item 1, resonance(s) ' .143.HN' (nmrStar names),' .144.QG2' (nmrStar names) not linked" rr_1bfw 1
114 2 114 1 "Not handling restraint 114, item 1, resonance(s) ' .144.HN' (nmrStar names),' .143.HN' (nmrStar names) not linked" rr_1bfw 1
115 2 115 1 "Not handling restraint 115, item 1, resonance(s) ' .143.QA' (nmrStar names),' .143.HN' (nmrStar names) not linked" rr_1bfw 1
116 2 116 1 "Not handling restraint 116, item 1, resonance(s) ' .143.QA' (nmrStar names),' .142.HN' (nmrStar names) not linked" rr_1bfw 1
117 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .142.HN' (nmrStar names),' .142.HA' (nmrStar names) not linked" rr_1bfw 1
118 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .142.HN' (nmrStar names),' .142.QB' (nmrStar names) not linked" rr_1bfw 1
119 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .142.HA' (nmrStar names),' .142.QB' (nmrStar names) not linked" rr_1bfw 1
120 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .141.HN' (nmrStar names),' .141.QA' (nmrStar names) not linked" rr_1bfw 1
stop_
save_
save_DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode DYANA/DIANA_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1bfw
_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_1bfw 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 "lower distance restraints" 1 1 1 27 rr_1bfw 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) ' .159.HA' (nmrStar names),' .159.QB' (nmrStar names) not linked" rr_1bfw 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .159.HA' (nmrStar names),' .159.HG' (nmrStar names) not linked" rr_1bfw 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .159.HA' (nmrStar names),' .159.QQD' (nmrStar names) not linked" rr_1bfw 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .159.HA' (nmrStar names),' .158.HN' (nmrStar names) not linked" rr_1bfw 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .159.QB' (nmrStar names),' .159.HG' (nmrStar names) not linked" rr_1bfw 1
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .159.QB' (nmrStar names),' .159.QQD' (nmrStar names) not linked" rr_1bfw 1
7 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .159.HG' (nmrStar names),' .159.QQD' (nmrStar names) not linked" rr_1bfw 1
8 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .159.QQD' (nmrStar names),' .150.HG' (nmrStar names) not linked" rr_1bfw 1
9 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .158.HN' (nmrStar names),' .158.HA' (nmrStar names) not linked" rr_1bfw 1
10 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .158.HN' (nmrStar names),' .158.QB' (nmrStar names) not linked" rr_1bfw 1
11 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .158.HN' (nmrStar names),' .158.QG' (nmrStar names) not linked" rr_1bfw 1
12 2 12 1 "Not handling restraint 12, item 1, resonance(s) ' .158.HA' (nmrStar names),' .158.QB' (nmrStar names) not linked" rr_1bfw 1
13 2 13 1 "Not handling restraint 13, item 1, resonance(s) ' .158.HA' (nmrStar names),' .158.QG' (nmrStar names) not linked" rr_1bfw 1
14 2 14 1 "Not handling restraint 14, item 1, resonance(s) ' .158.HA' (nmrStar names),' .157.HN' (nmrStar names) not linked" rr_1bfw 1
15 2 15 1 "Not handling restraint 15, item 1, resonance(s) ' .157.HN' (nmrStar names),' .157.HA' (nmrStar names) not linked" rr_1bfw 1
16 2 16 1 "Not handling restraint 16, item 1, resonance(s) ' .157.HN' (nmrStar names),' .157.QB' (nmrStar names) not linked" rr_1bfw 1
17 2 17 1 "Not handling restraint 17, item 1, resonance(s) ' .157.HN' (nmrStar names),' .157.QG' (nmrStar names) not linked" rr_1bfw 1
18 2 18 1 "Not handling restraint 18, item 1, resonance(s) ' .157.HN' (nmrStar names),' .157.QD' (nmrStar names) not linked" rr_1bfw 1
19 2 19 1 "Not handling restraint 19, item 1, resonance(s) ' .157.HN' (nmrStar names),' .156.HN' (nmrStar names) not linked" rr_1bfw 1
20 2 20 1 "Not handling restraint 20, item 1, resonance(s) ' .157.HA' (nmrStar names),' .157.QB' (nmrStar names) not linked" rr_1bfw 1
21 2 21 1 "Not handling restraint 21, item 1, resonance(s) ' .157.HA' (nmrStar names),' .157.QG' (nmrStar names) not linked" rr_1bfw 1
22 2 22 1 "Not handling restraint 22, item 1, resonance(s) ' .157.HA' (nmrStar names),' .157.QD' (nmrStar names) not linked" rr_1bfw 1
23 2 23 1 "Not handling restraint 23, item 1, resonance(s) ' .157.HA' (nmrStar names),' .157.HE' (nmrStar names) not linked" rr_1bfw 1
24 2 24 1 "Not handling restraint 24, item 1, resonance(s) ' .157.HA' (nmrStar names),' .156.HN' (nmrStar names) not linked" rr_1bfw 1
25 2 25 1 "Not handling restraint 25, item 1, resonance(s) ' .156.HN' (nmrStar names),' .156.HA' (nmrStar names) not linked" rr_1bfw 1
26 2 26 1 "Not handling restraint 26, item 1, resonance(s) ' .156.HN' (nmrStar names),' .156.QB' (nmrStar names) not linked" rr_1bfw 1
27 2 27 1 "Not handling restraint 27, item 1, resonance(s) ' .156.HA' (nmrStar names),' .156.QB' (nmrStar names) not linked" rr_1bfw 1
28 2 28 1 "Not handling restraint 28, item 1, resonance(s) ' .156.HA' (nmrStar names),' .155.HN' (nmrStar names) not linked" rr_1bfw 1
29 2 29 1 "Not handling restraint 29, item 1, resonance(s) ' .156.QB' (nmrStar names),' .155.HN' (nmrStar names) not linked" rr_1bfw 1
30 2 30 1 "Not handling restraint 30, item 1, resonance(s) ' .155.HN' (nmrStar names),' .155.HA' (nmrStar names) not linked" rr_1bfw 1
31 2 31 1 "Not handling restraint 31, item 1, resonance(s) ' .155.HN' (nmrStar names),' .155.HB' (nmrStar names) not linked" rr_1bfw 1
32 2 32 1 "Not handling restraint 32, item 1, resonance(s) ' .155.HN' (nmrStar names),' .155.QQG' (nmrStar names) not linked" rr_1bfw 1
33 2 33 1 "Not handling restraint 33, item 1, resonance(s) ' .155.HN' (nmrStar names),' .154.HN' (nmrStar names) not linked" rr_1bfw 1
34 2 34 1 "Not handling restraint 34, item 1, resonance(s) ' .155.HA' (nmrStar names),' .155.HB' (nmrStar names) not linked" rr_1bfw 1
35 2 35 1 "Not handling restraint 35, item 1, resonance(s) ' .155.HA' (nmrStar names),' .155.QQG' (nmrStar names) not linked" rr_1bfw 1
36 2 36 1 "Not handling restraint 36, item 1, resonance(s) ' .155.HA' (nmrStar names),' .154.HN' (nmrStar names) not linked" rr_1bfw 1
37 2 37 1 "Not handling restraint 37, item 1, resonance(s) ' .155.HB' (nmrStar names),' .154.HN' (nmrStar names) not linked" rr_1bfw 1
38 2 38 1 "Not handling restraint 38, item 1, resonance(s) ' .154.HN' (nmrStar names),' .154.HA' (nmrStar names) not linked" rr_1bfw 1
39 2 39 1 "Not handling restraint 39, item 1, resonance(s) ' .154.HN' (nmrStar names),' .154.QB' (nmrStar names) not linked" rr_1bfw 1
40 2 40 1 "Not handling restraint 40, item 1, resonance(s) ' .154.HN' (nmrStar names),' .154.QG' (nmrStar names) not linked" rr_1bfw 1
41 2 41 1 "Not handling restraint 41, item 1, resonance(s) ' .154.HN' (nmrStar names),' .154.QD' (nmrStar names) not linked" rr_1bfw 1
42 2 42 1 "Not handling restraint 42, item 1, resonance(s) ' .154.HN' (nmrStar names),' .151.QQD' (nmrStar names) not linked" rr_1bfw 1
43 2 43 1 "Not handling restraint 43, item 1, resonance(s) ' .154.HA' (nmrStar names),' .154.QB' (nmrStar names) not linked" rr_1bfw 1
44 2 44 1 "Not handling restraint 44, item 1, resonance(s) ' .154.HA' (nmrStar names),' .154.QG' (nmrStar names) not linked" rr_1bfw 1
45 2 45 1 "Not handling restraint 45, item 1, resonance(s) ' .154.HA' (nmrStar names),' .154.QD' (nmrStar names) not linked" rr_1bfw 1
46 2 46 1 "Not handling restraint 46, item 1, resonance(s) ' .154.HA' (nmrStar names),' .154.HE' (nmrStar names) not linked" rr_1bfw 1
47 2 47 1 "Not handling restraint 47, item 1, resonance(s) ' .154.HA' (nmrStar names),' .153.QB' (nmrStar names) not linked" rr_1bfw 1
48 2 48 1 "Not handling restraint 48, item 1, resonance(s) ' .154.HA' (nmrStar names),' .153.QG' (nmrStar names) not linked" rr_1bfw 1
49 2 49 1 "Not handling restraint 49, item 1, resonance(s) ' .154.HA' (nmrStar names),' .153.QD' (nmrStar names) not linked" rr_1bfw 1
50 2 50 1 "Not handling restraint 50, item 1, resonance(s) ' .153.QB' (nmrStar names),' .153.HA' (nmrStar names) not linked" rr_1bfw 1
51 2 51 1 "Not handling restraint 51, item 1, resonance(s) ' .153.QG' (nmrStar names),' .153.HA' (nmrStar names) not linked" rr_1bfw 1
52 2 52 1 "Not handling restraint 52, item 1, resonance(s) ' .153.QD' (nmrStar names),' .153.HA' (nmrStar names) not linked" rr_1bfw 1
53 2 53 1 "Not handling restraint 53, item 1, resonance(s) ' .153.HA' (nmrStar names),' .152.HN' (nmrStar names) not linked" rr_1bfw 1
54 2 54 1 "Not handling restraint 54, item 1, resonance(s) ' .153.QB' (nmrStar names),' .152.HN' (nmrStar names) not linked" rr_1bfw 1
55 2 55 1 "Not handling restraint 55, item 1, resonance(s) ' .153.QG' (nmrStar names),' .152.HN' (nmrStar names) not linked" rr_1bfw 1
56 2 56 1 "Not handling restraint 56, item 1, resonance(s) ' .153.QD' (nmrStar names),' .152.HN' (nmrStar names) not linked" rr_1bfw 1
57 2 57 1 "Not handling restraint 57, item 1, resonance(s) ' .152.HN' (nmrStar names),' .152.HA' (nmrStar names) not linked" rr_1bfw 1
58 2 58 1 "Not handling restraint 58, item 1, resonance(s) ' .152.HN' (nmrStar names),' .152.QB' (nmrStar names) not linked" rr_1bfw 1
59 2 59 1 "Not handling restraint 59, item 1, resonance(s) ' .152.HA' (nmrStar names),' .152.QB' (nmrStar names) not linked" rr_1bfw 1
60 2 60 1 "Not handling restraint 60, item 1, resonance(s) ' .152.HA' (nmrStar names),' .151.HN' (nmrStar names) not linked" rr_1bfw 1
61 2 61 1 "Not handling restraint 61, item 1, resonance(s) ' .152.QB' (nmrStar names),' .151.HN' (nmrStar names) not linked" rr_1bfw 1
62 2 62 1 "Not handling restraint 62, item 1, resonance(s) ' .151.HN' (nmrStar names),' .151.HA' (nmrStar names) not linked" rr_1bfw 1
63 2 63 1 "Not handling restraint 63, item 1, resonance(s) ' .151.HN' (nmrStar names),' .151.QB' (nmrStar names) not linked" rr_1bfw 1
64 2 64 1 "Not handling restraint 64, item 1, resonance(s) ' .151.HN' (nmrStar names),' .151.HG' (nmrStar names) not linked" rr_1bfw 1
65 2 65 1 "Not handling restraint 65, item 1, resonance(s) ' .151.QQD' (nmrStar names),' .151.HN' (nmrStar names) not linked" rr_1bfw 1
66 2 66 1 "Not handling restraint 66, item 1, resonance(s) ' .151.HA' (nmrStar names),' .151.QB' (nmrStar names) not linked" rr_1bfw 1
67 2 67 1 "Not handling restraint 67, item 1, resonance(s) ' .151.HA' (nmrStar names),' .151.HG' (nmrStar names) not linked" rr_1bfw 1
68 2 68 1 "Not handling restraint 68, item 1, resonance(s) ' .151.QQD' (nmrStar names),' .151.HA' (nmrStar names) not linked" rr_1bfw 1
69 2 69 1 "Not handling restraint 69, item 1, resonance(s) ' .150.HN' (nmrStar names),' .150.HA' (nmrStar names) not linked" rr_1bfw 1
70 2 70 1 "Not handling restraint 70, item 1, resonance(s) ' .150.HN' (nmrStar names),' .150.QB' (nmrStar names) not linked" rr_1bfw 1
71 2 71 1 "Not handling restraint 71, item 1, resonance(s) ' .150.HA' (nmrStar names),' .150.QB' (nmrStar names) not linked" rr_1bfw 1
72 2 72 1 "Not handling restraint 72, item 1, resonance(s) ' .150.HA' (nmrStar names),' .149.HN' (nmrStar names) not linked" rr_1bfw 1
73 2 73 1 "Not handling restraint 73, item 1, resonance(s) ' .150.QB' (nmrStar names),' .149.HN' (nmrStar names) not linked" rr_1bfw 1
74 2 74 1 "Not handling restraint 74, item 1, resonance(s) ' .149.HN' (nmrStar names),' .149.QA' (nmrStar names) not linked" rr_1bfw 1
75 2 75 1 "Not handling restraint 75, item 1, resonance(s) ' .149.HN' (nmrStar names),' .148.HN' (nmrStar names) not linked" rr_1bfw 1
76 2 76 1 "Not handling restraint 76, item 1, resonance(s) ' .149.QA' (nmrStar names),' .148.HN' (nmrStar names) not linked" rr_1bfw 1
77 2 77 1 "Not handling restraint 77, item 1, resonance(s) ' .148.HN' (nmrStar names),' .148.HA' (nmrStar names) not linked" rr_1bfw 1
78 2 78 1 "Not handling restraint 78, item 1, resonance(s) ' .148.HN' (nmrStar names),' .148.QB' (nmrStar names) not linked" rr_1bfw 1
79 2 79 1 "Not handling restraint 79, item 1, resonance(s) ' .148.HN' (nmrStar names),' .148.QD' (nmrStar names) not linked" rr_1bfw 1
80 2 80 1 "Not handling restraint 80, item 1, resonance(s) ' .148.HA' (nmrStar names),' .148.QB' (nmrStar names) not linked" rr_1bfw 1
81 2 81 1 "Not handling restraint 81, item 1, resonance(s) ' .148.HA' (nmrStar names),' .148.QD' (nmrStar names) not linked" rr_1bfw 1
82 2 82 1 "Not handling restraint 82, item 1, resonance(s) ' .148.HA' (nmrStar names),' .147.HN' (nmrStar names) not linked" rr_1bfw 1
83 2 83 1 "Not handling restraint 83, item 1, resonance(s) ' .148.QB' (nmrStar names),' .147.HN' (nmrStar names) not linked" rr_1bfw 1
84 2 84 1 "Not handling restraint 84, item 1, resonance(s) ' .148.QD' (nmrStar names),' .147.HN' (nmrStar names) not linked" rr_1bfw 1
85 2 85 1 "Not handling restraint 85, item 1, resonance(s) ' .147.HN' (nmrStar names),' .147.HA' (nmrStar names) not linked" rr_1bfw 1
86 2 86 1 "Not handling restraint 86, item 1, resonance(s) ' .147.HN' (nmrStar names),' .147.QB' (nmrStar names) not linked" rr_1bfw 1
87 2 87 1 "Not handling restraint 87, item 1, resonance(s) ' .147.HN' (nmrStar names),' .146.HN' (nmrStar names) not linked" rr_1bfw 1
88 2 88 1 "Not handling restraint 88, item 1, resonance(s) ' .147.HA' (nmrStar names),' .147.QB' (nmrStar names) not linked" rr_1bfw 1
89 2 89 1 "Not handling restraint 89, item 1, resonance(s) ' .147.HA' (nmrStar names),' .146.HN' (nmrStar names) not linked" rr_1bfw 1
90 2 90 1 "Not handling restraint 90, item 1, resonance(s) ' .147.QB' (nmrStar names),' .146.HN' (nmrStar names) not linked" rr_1bfw 1
91 2 91 1 "Not handling restraint 91, item 1, resonance(s) ' .146.HN' (nmrStar names),' .146.QA' (nmrStar names) not linked" rr_1bfw 1
92 2 92 1 "Not handling restraint 92, item 1, resonance(s) ' .146.HN' (nmrStar names),' .145.HN' (nmrStar names) not linked" rr_1bfw 1
93 2 93 1 "Not handling restraint 93, item 1, resonance(s) ' .146.QA' (nmrStar names),' .145.HN' (nmrStar names) not linked" rr_1bfw 1
94 2 94 1 "Not handling restraint 94, item 1, resonance(s) ' .145.HN' (nmrStar names),' .145.HA' (nmrStar names) not linked" rr_1bfw 1
95 2 95 1 "Not handling restraint 95, item 1, resonance(s) ' .145.HN' (nmrStar names),' .145.QB' (nmrStar names) not linked" rr_1bfw 1
96 2 96 1 "Not handling restraint 96, item 1, resonance(s) ' .145.HN' (nmrStar names),' .145.QG' (nmrStar names) not linked" rr_1bfw 1
97 2 97 1 "Not handling restraint 97, item 1, resonance(s) ' .145.HN' (nmrStar names),' .145.QD' (nmrStar names) not linked" rr_1bfw 1
98 2 98 1 "Not handling restraint 98, item 1, resonance(s) ' .145.HN' (nmrStar names),' .144.HN' (nmrStar names) not linked" rr_1bfw 1
99 2 99 1 "Not handling restraint 99, item 1, resonance(s) ' .145.HA' (nmrStar names),' .145.QB' (nmrStar names) not linked" rr_1bfw 1
100 2 100 1 "Not handling restraint 100, item 1, resonance(s) ' .145.HA' (nmrStar names),' .145.QG' (nmrStar names) not linked" rr_1bfw 1
101 2 101 1 "Not handling restraint 101, item 1, resonance(s) ' .145.HA' (nmrStar names),' .145.QD' (nmrStar names) not linked" rr_1bfw 1
102 2 102 1 "Not handling restraint 102, item 1, resonance(s) ' .145.HA' (nmrStar names),' .145.HE' (nmrStar names) not linked" rr_1bfw 1
103 2 103 1 "Not handling restraint 103, item 1, resonance(s) ' .145.HA' (nmrStar names),' .144.HN' (nmrStar names) not linked" rr_1bfw 1
104 2 104 1 "Not handling restraint 104, item 1, resonance(s) ' .145.QB' (nmrStar names),' .144.HN' (nmrStar names) not linked" rr_1bfw 1
105 2 105 1 "Not handling restraint 105, item 1, resonance(s) ' .144.HN' (nmrStar names),' .144.HA' (nmrStar names) not linked" rr_1bfw 1
106 2 106 1 "Not handling restraint 106, item 1, resonance(s) ' .144.HN' (nmrStar names),' .144.HB' (nmrStar names) not linked" rr_1bfw 1
107 2 107 1 "Not handling restraint 107, item 1, resonance(s) ' .144.HN' (nmrStar names),' .143.QA' (nmrStar names) not linked" rr_1bfw 1
108 2 108 1 "Not handling restraint 108, item 1, resonance(s) ' .144.HA' (nmrStar names),' .144.HB' (nmrStar names) not linked" rr_1bfw 1
109 2 109 1 "Not handling restraint 109, item 1, resonance(s) ' .144.HA' (nmrStar names),' .144.QQG' (nmrStar names) not linked" rr_1bfw 1
110 2 110 1 "Not handling restraint 110, item 1, resonance(s) ' .144.HA' (nmrStar names),' .143.HN' (nmrStar names) not linked" rr_1bfw 1
111 2 111 1 "Not handling restraint 111, item 1, resonance(s) ' .144.HB' (nmrStar names),' .144.QQG' (nmrStar names) not linked" rr_1bfw 1
112 2 112 1 "Not handling restraint 112, item 1, resonance(s) ' .144.HB' (nmrStar names),' .143.HN' (nmrStar names) not linked" rr_1bfw 1
113 2 113 1 "Not handling restraint 113, item 1, resonance(s) ' .143.HN' (nmrStar names),' .144.QG2' (nmrStar names) not linked" rr_1bfw 1
114 2 114 1 "Not handling restraint 114, item 1, resonance(s) ' .144.HN' (nmrStar names),' .143.HN' (nmrStar names) not linked" rr_1bfw 1
115 2 115 1 "Not handling restraint 115, item 1, resonance(s) ' .143.QA' (nmrStar names),' .143.HN' (nmrStar names) not linked" rr_1bfw 1
116 2 116 1 "Not handling restraint 116, item 1, resonance(s) ' .143.QA' (nmrStar names),' .142.HN' (nmrStar names) not linked" rr_1bfw 1
117 2 117 1 "Not handling restraint 117, item 1, resonance(s) ' .142.HN' (nmrStar names),' .142.HA' (nmrStar names) not linked" rr_1bfw 1
118 2 118 1 "Not handling restraint 118, item 1, resonance(s) ' .142.HN' (nmrStar names),' .142.QB' (nmrStar names) not linked" rr_1bfw 1
119 2 119 1 "Not handling restraint 119, item 1, resonance(s) ' .142.HA' (nmrStar names),' .142.QB' (nmrStar names) not linked" rr_1bfw 1
120 2 120 1 "Not handling restraint 120, item 1, resonance(s) ' .141.HN' (nmrStar names),' .141.QA' (nmrStar names) not linked" rr_1bfw 1
stop_
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save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1bfw
_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 CAPSID 22-MAY-98 1BFW *TITLE RETRO-INVERSO ANALOGUE OF THE G-H LOOP OF VP1 IN FOOT- *TITLE 2 AND-MOUTH-DISEASE (FMD) VIRUS, NMR, 10 STRUCTURES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: VP1 PROTEIN; *COMPND 3 CHAIN: NULL; *COMPND 4 FRAGMENT: THE MAJOR IMMUNOGEN REGION, RESIDUES 141-159; *COMPND 5 ENGINEERED: YES; *COMPND 6 OTHER_DETAILS: RETRO-INVERSO PEPTIDE CORRESPONDING TO THE *COMPND 7 MAJOR IMMUNOGEN REGION OF THE FOOT-AND-MOUTH-DISEASE VIRUS *COMPND 8 CAPSID *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS CAPSID, PEPTIDOMIMETIC, RETRO-INVERSO, FMDV, ANTIGEN *EXPDTA NMR, 10 STRUCTURES *AUTHOR M.C.PETIT,N.BENKIRANE,G.GUICHARD,A.PHAN CHAN DU,M.T.CUNG, *AUTHOR 2 J.P.BRIAND,S.MULLER *REVDAT 1 13-JAN-99 1BFW 0"
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