NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
470622 |
1aoo   |
cing | 3-converted-DOCR | STAR | entry | full | 235 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1aoo
# This DOCR archive file contains, for PDB entry <1aoo>:
#
# - Coordinates and sequence information from the PDB mmCIF file
# - NMR restraints from the PDB MR file
#
# In this file, the coordinates and NMR restraints share the same atom names,
# and in this way can differ from the data deposited at the wwPDB. To achieve
# this aim, the NMR restraints were parsed from their original format files, and
# the coordinates and NMR restraints information were subsequently harmonized.
#
# Due to the complexity of this harmonization process, minor modifications could
# have occurred to the NMR restraints information, or data could have been lost
# because of parsing or conversion errors. The PDB file remains the
# authoritative reference for the atomic coordinates and the originally deposited
# restraints files remain the primary reference for these data.
#
# This file is generated at the BioMagResBank (BMRB) in collaboration with the
# PDBe (formerly MSD) group at the European Bioinformatics Institute (EBI) and
# the CMBI/IMM group at the Radboud University of Nijmegen.
#
# Several software packages were used to produce this file:
#
# - Wattos (BMRB and CMBI/IMM).
# - FormatConverter and NMRStarExport (PDBe).
# - CCPN framework (http://www.ccpn.ac.uk/).
#
# More information about this process can be found in the references below.
# Please cite the original reference for this PDB entry.
#
# JF Doreleijers, A Nederveen, W Vranken, J Lin, AM Bonvin, R Kaptein, JL
# Markley, and EL Ulrich (2005). BioMagResBank databases DOCR and FRED
# containing converted and filtered sets of experimental NMR restraints and
# coordinates from over 500 protein PDB structures. J. Biomol. NMR 32, 1-12.
#
# WF Vranken, W Boucher, TJ Stevens, RH Fogh, A Pajon, M Llinas, EL Ulrich, JL
# Markley, J Ionides, ED Laue (2005). The CCPN data model for NMR spectroscopy:
# development of a software pipeline. Proteins 59, 687-696.
#
# JF Doreleijers, WF Vranken, C Schulte, J Lin, JR Wedell, CJ Penkett, GW Vuister,
# G Vriend, JL Markley, and EL Ulrich (2009). The NMR Restraints Grid at BMRB for
# 5,266 Protein and Nucleic Acid PDB Entries. J Biomol. NMR 45, 389?396.
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID rr_1aoo
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1aoo"
_Entry.Version_type original
_Entry.NMR_STAR_version 3.1.0.8
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Details "Contains the remediated restraint lists and coordinates for PDB entry 1aoo"
_Entry.PDB_coordinate_file_version 3.20
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 1aoo "Master copy" rr_1aoo
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1aoo
_Assembly.ID 1
_Assembly.Name 1aoo
_Assembly.Number_of_components 8
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 7
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 5014.5932
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 "AG METALLOTHIONEIN" 1 $AG_METALLOTHIONEIN A . no . . . . . . rr_1aoo 1
2 "SILVER ION" 2 $SILVER_ION B . no . . . . . . rr_1aoo 1
3 "SILVER ION" 2 $SILVER_ION C . no . . . . . . rr_1aoo 1
4 "SILVER ION" 2 $SILVER_ION D . no . . . . . . rr_1aoo 1
5 "SILVER ION" 2 $SILVER_ION E . no . . . . . . rr_1aoo 1
6 "SILVER ION" 2 $SILVER_ION F . no . . . . . . rr_1aoo 1
7 "SILVER ION" 2 $SILVER_ION G . no . . . . . . rr_1aoo 1
8 "SILVER ION" 2 $SILVER_ION H . no . . . . . . rr_1aoo 1
stop_
save_
save_AG_METALLOTHIONEIN
_Entity.Sf_category entity
_Entity.Sf_framecode AG_METALLOTHIONEIN
_Entity.Entry_ID rr_1aoo
_Entity.ID 1
_Entity.Name AG_METALLOTHIONEIN
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;QNEGHECQCQCGSCKNNEQC
QKSCSCPTGCNSDDKCPCGN
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Number_of_monomers 40
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 4259.5172
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 . GLN . rr_1aoo 1
2 . ASN . rr_1aoo 1
3 . GLU . rr_1aoo 1
4 . GLY . rr_1aoo 1
5 . HIS . rr_1aoo 1
6 . GLU . rr_1aoo 1
7 . CYS . rr_1aoo 1
8 . GLN . rr_1aoo 1
9 . CYS . rr_1aoo 1
10 . GLN . rr_1aoo 1
11 . CYS . rr_1aoo 1
12 . GLY . rr_1aoo 1
13 . SER . rr_1aoo 1
14 . CYS . rr_1aoo 1
15 . LYS . rr_1aoo 1
16 . ASN . rr_1aoo 1
17 . ASN . rr_1aoo 1
18 . GLU . rr_1aoo 1
19 . GLN . rr_1aoo 1
20 . CYS . rr_1aoo 1
21 . GLN . rr_1aoo 1
22 . LYS . rr_1aoo 1
23 . SER . rr_1aoo 1
24 . CYS . rr_1aoo 1
25 . SER . rr_1aoo 1
26 . CYS . rr_1aoo 1
27 . PRO . rr_1aoo 1
28 . THR . rr_1aoo 1
29 . GLY . rr_1aoo 1
30 . CYS . rr_1aoo 1
31 . ASN . rr_1aoo 1
32 . SER . rr_1aoo 1
33 . ASP . rr_1aoo 1
34 . ASP . rr_1aoo 1
35 . LYS . rr_1aoo 1
36 . CYS . rr_1aoo 1
37 . PRO . rr_1aoo 1
38 . CYS . rr_1aoo 1
39 . GLY . rr_1aoo 1
40 . ASN . rr_1aoo 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
. GLN 1 1 rr_1aoo 1
. ASN 2 2 rr_1aoo 1
. GLU 3 3 rr_1aoo 1
. GLY 4 4 rr_1aoo 1
. HIS 5 5 rr_1aoo 1
. GLU 6 6 rr_1aoo 1
. CYS 7 7 rr_1aoo 1
. GLN 8 8 rr_1aoo 1
. CYS 9 9 rr_1aoo 1
. GLN 10 10 rr_1aoo 1
. CYS 11 11 rr_1aoo 1
. GLY 12 12 rr_1aoo 1
. SER 13 13 rr_1aoo 1
. CYS 14 14 rr_1aoo 1
. LYS 15 15 rr_1aoo 1
. ASN 16 16 rr_1aoo 1
. ASN 17 17 rr_1aoo 1
. GLU 18 18 rr_1aoo 1
. GLN 19 19 rr_1aoo 1
. CYS 20 20 rr_1aoo 1
. GLN 21 21 rr_1aoo 1
. LYS 22 22 rr_1aoo 1
. SER 23 23 rr_1aoo 1
. CYS 24 24 rr_1aoo 1
. SER 25 25 rr_1aoo 1
. CYS 26 26 rr_1aoo 1
. PRO 27 27 rr_1aoo 1
. THR 28 28 rr_1aoo 1
. GLY 29 29 rr_1aoo 1
. CYS 30 30 rr_1aoo 1
. ASN 31 31 rr_1aoo 1
. SER 32 32 rr_1aoo 1
. ASP 33 33 rr_1aoo 1
. ASP 34 34 rr_1aoo 1
. LYS 35 35 rr_1aoo 1
. CYS 36 36 rr_1aoo 1
. PRO 37 37 rr_1aoo 1
. CYS 38 38 rr_1aoo 1
. GLY 39 39 rr_1aoo 1
. ASN 40 40 rr_1aoo 1
stop_
save_
save_SILVER_ION
_Entity.Sf_category entity
_Entity.Sf_framecode SILVER_ION
_Entity.Entry_ID rr_1aoo
_Entity.ID 2
_Entity.Name SILVER_ION
_Entity.Type non-polymer
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID AG
_Entity.Number_of_monomers 1
_Entity.Paramagnetic no
_Entity.Thiol_state "not present"
_Entity.Parent_entity_ID 2
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 . AG . rr_1aoo 2
stop_
save_
save_chem_comp_AG
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_AG
_Chem_comp.Entry_ID rr_1aoo
_Chem_comp.ID AG
_Chem_comp.Name "SILVER ION"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code AG
_Chem_comp.Formal_charge 1
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula Ag
_Chem_comp.Formula_weight 107.868
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1aoo
_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_1aoo
_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_1aoo 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_1aoo 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 GLN C C -1.254 10.668 -5.034 . . . 1.0 . . . . . . . . . . . . A . 1 GLN C . . . . . . . . . rr_1aoo 1
. 1 . 2 . 1 1 1 GLN CA C -2.142 10.394 -6.249 . . . 1.0 . . . . . . . . . . . . A . 1 GLN CA . . . . . . . . . rr_1aoo 1
. 1 . 3 . 1 1 1 GLN CB C -1.356 10.601 -7.542 . . . 1.0 . . . . . . . . . . . . A . 1 GLN CB . . . . . . . . . rr_1aoo 1
. 1 . 4 . 1 1 1 GLN CD C -1.257 12.655 -8.959 . . . 1.0 . . . . . . . . . . . . A . 1 GLN CD . . . . . . . . . rr_1aoo 1
. 1 . 5 . 1 1 1 GLN CG C -0.862 12.047 -7.612 . . . 1.0 . . . . . . . . . . . . A . 1 GLN CG . . . . . . . . . rr_1aoo 1
. 1 . 6 . 1 1 1 GLN H1 H -2.971 12.253 -5.804 . . . 1.0 . . . . . . . . . . . . A . 1 GLN H1 . . . . . . . . . rr_1aoo 1
. 1 . 7 . 1 1 1 GLN H2 H -3.461 11.616 -7.300 . . . 1.0 . . . . . . . . . . . . A . 1 GLN H2 . . . . . . . . . rr_1aoo 1
. 1 . 8 . 1 1 1 GLN H3 H -4.102 10.985 -5.862 . . . 1.0 . . . . . . . . . . . . A . 1 GLN H3 . . . . . . . . . rr_1aoo 1
. 1 . 9 . 1 1 1 GLN HA H -2.535 9.390 -6.212 . . . 1.0 . . . . . . . . . . . . A . 1 GLN HA . . . . . . . . . rr_1aoo 1
. 1 . 10 . 1 1 1 GLN HB2 H -0.510 9.928 -7.561 . . . 1.0 . . . . . . . . . . . . A . 1 GLN HB2 . . . . . . . . . rr_1aoo 1
. 1 . 11 . 1 1 1 GLN HB3 H -1.995 10.400 -8.388 . . . 1.0 . . . . . . . . . . . . A . 1 GLN HB3 . . . . . . . . . rr_1aoo 1
. 1 . 12 . 1 1 1 GLN HE21 H -1.916 14.350 -8.159 . . . 1.0 . . . . . . . . . . . . A . 1 GLN HE21 . . . . . . . . . rr_1aoo 1
. 1 . 13 . 1 1 1 GLN HE22 H -2.035 14.250 -9.850 . . . 1.0 . . . . . . . . . . . . A . 1 GLN HE22 . . . . . . . . . rr_1aoo 1
. 1 . 14 . 1 1 1 GLN HG2 H -1.310 12.619 -6.812 . . . 1.0 . . . . . . . . . . . . A . 1 GLN HG2 . . . . . . . . . rr_1aoo 1
. 1 . 15 . 1 1 1 GLN HG3 H 0.212 12.066 -7.512 . . . 1.0 . . . . . . . . . . . . A . 1 GLN HG3 . . . . . . . . . rr_1aoo 1
. 1 . 16 . 1 1 1 GLN N N -3.253 11.387 -6.308 . . . 1.0 . . . . . . . . . . . . A . 1 GLN N . . . . . . . . . rr_1aoo 1
. 1 . 17 . 1 1 1 GLN NE2 N -1.780 13.851 -8.992 . . . 1.0 . . . . . . . . . . . . A . 1 GLN NE2 . . . . . . . . . rr_1aoo 1
. 1 . 18 . 1 1 1 GLN O O -0.116 11.071 -5.163 . . . 1.0 . . . . . . . . . . . . A . 1 GLN O . . . . . . . . . rr_1aoo 1
. 1 . 19 . 1 1 1 GLN OE1 O -1.089 12.036 -9.991 . . . 1.0 . . . . . . . . . . . . A . 1 GLN OE1 . . . . . . . . . rr_1aoo 1
. 1 . 20 . 1 1 2 ASN C C -0.178 9.446 -2.236 . . . 1.0 . . . . . . . . . . . . A . 2 ASN C . . . . . . . . . rr_1aoo 1
. 1 . 21 . 1 1 2 ASN CA C -0.948 10.706 -2.633 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CA . . . . . . . . . rr_1aoo 1
. 1 . 22 . 1 1 2 ASN CB C -1.953 11.072 -1.545 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CB . . . . . . . . . rr_1aoo 1
. 1 . 23 . 1 1 2 ASN CG C -2.768 12.290 -1.985 . . . 1.0 . . . . . . . . . . . . A . 2 ASN CG . . . . . . . . . rr_1aoo 1
. 1 . 24 . 1 1 2 ASN H H -2.688 10.131 -3.769 . . . 1.0 . . . . . . . . . . . . A . 2 ASN H . . . . . . . . . rr_1aoo 1
. 1 . 25 . 1 1 2 ASN HA H -0.270 11.528 -2.797 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HA . . . . . . . . . rr_1aoo 1
. 1 . 26 . 1 1 2 ASN HB2 H -2.614 10.235 -1.376 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB2 . . . . . . . . . rr_1aoo 1
. 1 . 27 . 1 1 2 ASN HB3 H -1.423 11.304 -0.635 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HB3 . . . . . . . . . rr_1aoo 1
. 1 . 28 . 1 1 2 ASN HD21 H -1.231 13.542 -1.864 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD21 . . . . . . . . . rr_1aoo 1
. 1 . 29 . 1 1 2 ASN HD22 H -2.698 14.240 -2.355 . . . 1.0 . . . . . . . . . . . . A . 2 ASN HD22 . . . . . . . . . rr_1aoo 1
. 1 . 30 . 1 1 2 ASN N N -1.766 10.454 -3.853 . . . 1.0 . . . . . . . . . . . . A . 2 ASN N . . . . . . . . . rr_1aoo 1
. 1 . 31 . 1 1 2 ASN ND2 N -2.183 13.454 -2.075 . . . 1.0 . . . . . . . . . . . . A . 2 ASN ND2 . . . . . . . . . rr_1aoo 1
. 1 . 32 . 1 1 2 ASN O O -0.595 8.696 -1.376 . . . 1.0 . . . . . . . . . . . . A . 2 ASN O . . . . . . . . . rr_1aoo 1
. 1 . 33 . 1 1 2 ASN OD1 O -3.949 12.182 -2.247 . . . 1.0 . . . . . . . . . . . . A . 2 ASN OD1 . . . . . . . . . rr_1aoo 1
. 1 . 34 . 1 1 3 GLU C C 3.171 8.419 -2.152 . . . 1.0 . . . . . . . . . . . . A . 3 GLU C . . . . . . . . . rr_1aoo 1
. 1 . 35 . 1 1 3 GLU CA C 1.753 8.006 -2.506 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CA . . . . . . . . . rr_1aoo 1
. 1 . 36 . 1 1 3 GLU CB C 1.748 7.138 -3.764 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CB . . . . . . . . . rr_1aoo 1
. 1 . 37 . 1 1 3 GLU CD C 2.398 7.071 -6.178 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CD . . . . . . . . . rr_1aoo 1
. 1 . 38 . 1 1 3 GLU CG C 2.531 7.851 -4.869 . . . 1.0 . . . . . . . . . . . . A . 3 GLU CG . . . . . . . . . rr_1aoo 1
. 1 . 39 . 1 1 3 GLU H H 1.263 9.838 -3.534 . . . 1.0 . . . . . . . . . . . . A . 3 GLU H . . . . . . . . . rr_1aoo 1
. 1 . 40 . 1 1 3 GLU HA H 1.308 7.484 -1.668 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HA . . . . . . . . . rr_1aoo 1
. 1 . 41 . 1 1 3 GLU HB2 H 2.214 6.189 -3.548 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB2 . . . . . . . . . rr_1aoo 1
. 1 . 42 . 1 1 3 GLU HB3 H 0.733 6.979 -4.092 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HB3 . . . . . . . . . rr_1aoo 1
. 1 . 43 . 1 1 3 GLU HG2 H 2.138 8.849 -5.001 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG2 . . . . . . . . . rr_1aoo 1
. 1 . 44 . 1 1 3 GLU HG3 H 3.573 7.908 -4.591 . . . 1.0 . . . . . . . . . . . . A . 3 GLU HG3 . . . . . . . . . rr_1aoo 1
. 1 . 45 . 1 1 3 GLU N N 0.946 9.214 -2.851 . . . 1.0 . . . . . . . . . . . . A . 3 GLU N . . . . . . . . . rr_1aoo 1
. 1 . 46 . 1 1 3 GLU O O 4.125 7.696 -2.359 . . . 1.0 . . . . . . . . . . . . A . 3 GLU O . . . . . . . . . rr_1aoo 1
. 1 . 47 . 1 1 3 GLU OE1 O 1.594 6.154 -6.221 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE1 . . . . . . . . . rr_1aoo 1
. 1 . 48 . 1 1 3 GLU OE2 O 3.102 7.404 -7.116 . . . 1.0 . . . . . . . . . . . . A . 3 GLU OE2 . . . . . . . . . rr_1aoo 1
. 1 . 49 . 1 1 4 GLY C C 4.722 9.709 0.334 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1aoo 1
. 1 . 50 . 1 1 4 GLY CA C 4.626 10.051 -1.140 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1aoo 1
. 1 . 51 . 1 1 4 GLY H H 2.486 10.086 -1.396 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1aoo 1
. 1 . 52 . 1 1 4 GLY HA2 H 5.407 9.552 -1.697 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1aoo 1
. 1 . 53 . 1 1 4 GLY HA3 H 4.694 11.120 -1.270 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1aoo 1
. 1 . 54 . 1 1 4 GLY N N 3.291 9.562 -1.578 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1aoo 1
. 1 . 55 . 1 1 4 GLY O O 4.872 10.564 1.184 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1aoo 1
. 1 . 56 . 1 1 5 HIS C C 5.254 6.698 2.275 . . . 1.0 . . . . . . . . . . . . A . 5 HIS C . . . . . . . . . rr_1aoo 1
. 1 . 57 . 1 1 5 HIS CA C 4.555 8.039 2.066 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CA . . . . . . . . . rr_1aoo 1
. 1 . 58 . 1 1 5 HIS CB C 3.056 7.887 2.366 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CB . . . . . . . . . rr_1aoo 1
. 1 . 59 . 1 1 5 HIS CD2 C 1.148 6.311 1.400 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CD2 . . . . . . . . . rr_1aoo 1
. 1 . 60 . 1 1 5 HIS CE1 C 2.347 5.056 0.136 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CE1 . . . . . . . . . rr_1aoo 1
. 1 . 61 . 1 1 5 HIS CG C 2.442 6.778 1.512 . . . 1.0 . . . . . . . . . . . . A . 5 HIS CG . . . . . . . . . rr_1aoo 1
. 1 . 62 . 1 1 5 HIS H H 4.388 7.794 -0.067 . . . 1.0 . . . . . . . . . . . . A . 5 HIS H . . . . . . . . . rr_1aoo 1
. 1 . 63 . 1 1 5 HIS HA H 4.979 8.802 2.695 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HA . . . . . . . . . rr_1aoo 1
. 1 . 64 . 1 1 5 HIS HB2 H 2.925 7.645 3.411 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB2 . . . . . . . . . rr_1aoo 1
. 1 . 65 . 1 1 5 HIS HB3 H 2.555 8.819 2.151 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HB3 . . . . . . . . . rr_1aoo 1
. 1 . 66 . 1 1 5 HIS HD1 H 4.126 6.046 0.454 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD1 . . . . . . . . . rr_1aoo 1
. 1 . 67 . 1 1 5 HIS HD2 H 0.293 6.746 1.855 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HD2 . . . . . . . . . rr_1aoo 1
. 1 . 68 . 1 1 5 HIS HE1 H 2.639 4.288 -0.554 . . . 1.0 . . . . . . . . . . . . A . 5 HIS HE1 . . . . . . . . . rr_1aoo 1
. 1 . 69 . 1 1 5 HIS N N 4.559 8.455 0.642 . . . 1.0 . . . . . . . . . . . . A . 5 HIS N . . . . . . . . . rr_1aoo 1
. 1 . 70 . 1 1 5 HIS ND1 N 3.187 5.954 0.673 . . . 1.0 . . . . . . . . . . . . A . 5 HIS ND1 . . . . . . . . . rr_1aoo 1
. 1 . 71 . 1 1 5 HIS NE2 N 1.101 5.230 0.544 . . . 1.0 . . . . . . . . . . . . A . 5 HIS NE2 . . . . . . . . . rr_1aoo 1
. 1 . 72 . 1 1 5 HIS O O 5.814 6.116 1.367 . . . 1.0 . . . . . . . . . . . . A . 5 HIS O . . . . . . . . . rr_1aoo 1
. 1 . 73 . 1 1 6 GLU C C 4.635 3.838 3.463 . . . 1.0 . . . . . . . . . . . . A . 6 GLU C . . . . . . . . . rr_1aoo 1
. 1 . 74 . 1 1 6 GLU CA C 5.755 4.839 3.709 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CA . . . . . . . . . rr_1aoo 1
. 1 . 75 . 1 1 6 GLU CB C 6.193 4.821 5.166 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CB . . . . . . . . . rr_1aoo 1
. 1 . 76 . 1 1 6 GLU CD C 7.082 7.075 5.786 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CD . . . . . . . . . rr_1aoo 1
. 1 . 77 . 1 1 6 GLU CG C 7.459 5.665 5.326 . . . 1.0 . . . . . . . . . . . . A . 6 GLU CG . . . . . . . . . rr_1aoo 1
. 1 . 78 . 1 1 6 GLU H H 4.685 6.640 4.172 . . . 1.0 . . . . . . . . . . . . A . 6 GLU H . . . . . . . . . rr_1aoo 1
. 1 . 79 . 1 1 6 GLU HA H 6.591 4.654 3.052 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HA . . . . . . . . . rr_1aoo 1
. 1 . 80 . 1 1 6 GLU HB2 H 5.404 5.224 5.781 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB2 . . . . . . . . . rr_1aoo 1
. 1 . 81 . 1 1 6 GLU HB3 H 6.401 3.803 5.462 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HB3 . . . . . . . . . rr_1aoo 1
. 1 . 82 . 1 1 6 GLU HG2 H 8.106 5.206 6.059 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG2 . . . . . . . . . rr_1aoo 1
. 1 . 83 . 1 1 6 GLU HG3 H 7.973 5.723 4.378 . . . 1.0 . . . . . . . . . . . . A . 6 GLU HG3 . . . . . . . . . rr_1aoo 1
. 1 . 84 . 1 1 6 GLU N N 5.175 6.177 3.461 . . . 1.0 . . . . . . . . . . . . A . 6 GLU N . . . . . . . . . rr_1aoo 1
. 1 . 85 . 1 1 6 GLU O O 3.534 4.013 3.945 . . . 1.0 . . . . . . . . . . . . A . 6 GLU O . . . . . . . . . rr_1aoo 1
. 1 . 86 . 1 1 6 GLU OE1 O 6.853 7.249 6.972 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE1 . . . . . . . . . rr_1aoo 1
. 1 . 87 . 1 1 6 GLU OE2 O 7.028 7.957 4.945 . . . 1.0 . . . . . . . . . . . . A . 6 GLU OE2 . . . . . . . . . rr_1aoo 1
. 1 . 88 . 1 1 7 CYS C C 3.066 1.512 3.765 . . . 1.0 . . . . . . . . . . . . A . 7 CYS C . . . . . . . . . rr_1aoo 1
. 1 . 89 . 1 1 7 CYS CA C 3.769 1.850 2.451 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CA . . . . . . . . . rr_1aoo 1
. 1 . 90 . 1 1 7 CYS CB C 4.428 0.623 1.838 . . . 1.0 . . . . . . . . . . . . A . 7 CYS CB . . . . . . . . . rr_1aoo 1
. 1 . 91 . 1 1 7 CYS H H 5.759 2.687 2.318 . . . 1.0 . . . . . . . . . . . . A . 7 CYS H . . . . . . . . . rr_1aoo 1
. 1 . 92 . 1 1 7 CYS HA H 3.065 2.275 1.752 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HA . . . . . . . . . rr_1aoo 1
. 1 . 93 . 1 1 7 CYS HB2 H 5.070 0.935 1.032 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB2 . . . . . . . . . rr_1aoo 1
. 1 . 94 . 1 1 7 CYS HB3 H 5.010 0.103 2.581 . . . 1.0 . . . . . . . . . . . . A . 7 CYS HB3 . . . . . . . . . rr_1aoo 1
. 1 . 95 . 1 1 7 CYS N N 4.873 2.814 2.713 . . . 1.0 . . . . . . . . . . . . A . 7 CYS N . . . . . . . . . rr_1aoo 1
. 1 . 96 . 1 1 7 CYS O O 3.642 0.920 4.656 . . . 1.0 . . . . . . . . . . . . A . 7 CYS O . . . . . . . . . rr_1aoo 1
. 1 . 97 . 1 1 7 CYS SG S 3.136 -0.473 1.205 . . . 1.0 . . . . . . . . . . . . A . 7 CYS SG . . . . . . . . . rr_1aoo 1
. 1 . 98 . 1 1 8 GLN C C 0.088 0.501 4.989 . . . 1.0 . . . . . . . . . . . . A . 8 GLN C . . . . . . . . . rr_1aoo 1
. 1 . 99 . 1 1 8 GLN CA C 1.100 1.629 5.174 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CA . . . . . . . . . rr_1aoo 1
. 1 . 100 . 1 1 8 GLN CB C 0.384 2.937 5.518 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CB . . . . . . . . . rr_1aoo 1
. 1 . 101 . 1 1 8 GLN CD C 1.748 3.030 7.614 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CD . . . . . . . . . rr_1aoo 1
. 1 . 102 . 1 1 8 GLN CG C 1.299 3.812 6.378 . . . 1.0 . . . . . . . . . . . . A . 8 GLN CG . . . . . . . . . rr_1aoo 1
. 1 . 103 . 1 1 8 GLN H H 1.378 2.397 3.174 . . . 1.0 . . . . . . . . . . . . A . 8 GLN H . . . . . . . . . rr_1aoo 1
. 1 . 104 . 1 1 8 GLN HA H 1.799 1.380 5.956 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HA . . . . . . . . . rr_1aoo 1
. 1 . 105 . 1 1 8 GLN HB2 H 0.135 3.462 4.607 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB2 . . . . . . . . . rr_1aoo 1
. 1 . 106 . 1 1 8 GLN HB3 H -0.520 2.719 6.066 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HB3 . . . . . . . . . rr_1aoo 1
. 1 . 107 . 1 1 8 GLN HE21 H 3.601 3.743 7.563 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE21 . . . . . . . . . rr_1aoo 1
. 1 . 108 . 1 1 8 GLN HE22 H 3.276 2.657 8.827 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HE22 . . . . . . . . . rr_1aoo 1
. 1 . 109 . 1 1 8 GLN HG2 H 2.165 4.102 5.802 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG2 . . . . . . . . . rr_1aoo 1
. 1 . 110 . 1 1 8 GLN HG3 H 0.763 4.695 6.691 . . . 1.0 . . . . . . . . . . . . A . 8 GLN HG3 . . . . . . . . . rr_1aoo 1
. 1 . 111 . 1 1 8 GLN N N 1.826 1.907 3.902 . . . 1.0 . . . . . . . . . . . . A . 8 GLN N . . . . . . . . . rr_1aoo 1
. 1 . 112 . 1 1 8 GLN NE2 N 2.977 3.154 8.037 . . . 1.0 . . . . . . . . . . . . A . 8 GLN NE2 . . . . . . . . . rr_1aoo 1
. 1 . 113 . 1 1 8 GLN O O -0.926 0.454 5.657 . . . 1.0 . . . . . . . . . . . . A . 8 GLN O . . . . . . . . . rr_1aoo 1
. 1 . 114 . 1 1 8 GLN OE1 O 0.974 2.302 8.202 . . . 1.0 . . . . . . . . . . . . A . 8 GLN OE1 . . . . . . . . . rr_1aoo 1
. 1 . 115 . 1 1 9 CYS C C -0.435 -2.563 5.012 . . . 1.0 . . . . . . . . . . . . A . 9 CYS C . . . . . . . . . rr_1aoo 1
. 1 . 116 . 1 1 9 CYS CA C -0.606 -1.529 3.895 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CA . . . . . . . . . rr_1aoo 1
. 1 . 117 . 1 1 9 CYS CB C -0.201 -2.111 2.548 . . . 1.0 . . . . . . . . . . . . A . 9 CYS CB . . . . . . . . . rr_1aoo 1
. 1 . 118 . 1 1 9 CYS H H 1.174 -0.372 3.561 . . . 1.0 . . . . . . . . . . . . A . 9 CYS H . . . . . . . . . rr_1aoo 1
. 1 . 119 . 1 1 9 CYS HA H -1.620 -1.166 3.856 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HA . . . . . . . . . rr_1aoo 1
. 1 . 120 . 1 1 9 CYS HB2 H 0.874 -2.074 2.464 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB2 . . . . . . . . . rr_1aoo 1
. 1 . 121 . 1 1 9 CYS HB3 H -0.540 -3.133 2.473 . . . 1.0 . . . . . . . . . . . . A . 9 CYS HB3 . . . . . . . . . rr_1aoo 1
. 1 . 122 . 1 1 9 CYS N N 0.348 -0.413 4.097 . . . 1.0 . . . . . . . . . . . . A . 9 CYS N . . . . . . . . . rr_1aoo 1
. 1 . 123 . 1 1 9 CYS O O 0.650 -3.056 5.250 . . . 1.0 . . . . . . . . . . . . A . 9 CYS O . . . . . . . . . rr_1aoo 1
. 1 . 124 . 1 1 9 CYS SG S -0.929 -1.126 1.220 . . . 1.0 . . . . . . . . . . . . A . 9 CYS SG . . . . . . . . . rr_1aoo 1
. 1 . 125 . 1 1 10 GLN C C -1.586 -5.305 6.213 . . . 1.0 . . . . . . . . . . . . A . 10 GLN C . . . . . . . . . rr_1aoo 1
. 1 . 126 . 1 1 10 GLN CA C -1.375 -3.908 6.791 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CA . . . . . . . . . rr_1aoo 1
. 1 . 127 . 1 1 10 GLN CB C -2.489 -3.560 7.782 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CB . . . . . . . . . rr_1aoo 1
. 1 . 128 . 1 1 10 GLN CD C -2.766 -2.866 10.170 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CD . . . . . . . . . rr_1aoo 1
. 1 . 129 . 1 1 10 GLN CG C -1.919 -2.692 8.907 . . . 1.0 . . . . . . . . . . . . A . 10 GLN CG . . . . . . . . . rr_1aoo 1
. 1 . 130 . 1 1 10 GLN H H -2.362 -2.497 5.490 . . . 1.0 . . . . . . . . . . . . A . 10 GLN H . . . . . . . . . rr_1aoo 1
. 1 . 131 . 1 1 10 GLN HA H -0.412 -3.837 7.271 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HA . . . . . . . . . rr_1aoo 1
. 1 . 132 . 1 1 10 GLN HB2 H -3.270 -3.018 7.269 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB2 . . . . . . . . . rr_1aoo 1
. 1 . 133 . 1 1 10 GLN HB3 H -2.895 -4.468 8.201 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HB3 . . . . . . . . . rr_1aoo 1
. 1 . 134 . 1 1 10 GLN HE21 H -1.531 -1.812 11.312 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE21 . . . . . . . . . rr_1aoo 1
. 1 . 135 . 1 1 10 GLN HE22 H -2.900 -2.429 12.102 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HE22 . . . . . . . . . rr_1aoo 1
. 1 . 136 . 1 1 10 GLN HG2 H -0.901 -2.991 9.111 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG2 . . . . . . . . . rr_1aoo 1
. 1 . 137 . 1 1 10 GLN HG3 H -1.936 -1.656 8.605 . . . 1.0 . . . . . . . . . . . . A . 10 GLN HG3 . . . . . . . . . rr_1aoo 1
. 1 . 138 . 1 1 10 GLN N N -1.493 -2.902 5.696 . . . 1.0 . . . . . . . . . . . . A . 10 GLN N . . . . . . . . . rr_1aoo 1
. 1 . 139 . 1 1 10 GLN NE2 N -2.366 -2.324 11.287 . . . 1.0 . . . . . . . . . . . . A . 10 GLN NE2 . . . . . . . . . rr_1aoo 1
. 1 . 140 . 1 1 10 GLN O O -1.855 -6.256 6.920 . . . 1.0 . . . . . . . . . . . . A . 10 GLN O . . . . . . . . . rr_1aoo 1
. 1 . 141 . 1 1 10 GLN OE1 O -3.802 -3.501 10.139 . . . 1.0 . . . . . . . . . . . . A . 10 GLN OE1 . . . . . . . . . rr_1aoo 1
. 1 . 142 . 1 1 11 CYS C C -0.393 -7.566 4.368 . . . 1.0 . . . . . . . . . . . . A . 11 CYS C . . . . . . . . . rr_1aoo 1
. 1 . 143 . 1 1 11 CYS CA C -1.656 -6.718 4.251 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CA . . . . . . . . . rr_1aoo 1
. 1 . 144 . 1 1 11 CYS CB C -1.882 -6.334 2.790 . . . 1.0 . . . . . . . . . . . . A . 11 CYS CB . . . . . . . . . rr_1aoo 1
. 1 . 145 . 1 1 11 CYS H H -1.259 -4.648 4.373 . . . 1.0 . . . . . . . . . . . . A . 11 CYS H . . . . . . . . . rr_1aoo 1
. 1 . 146 . 1 1 11 CYS HA H -2.512 -7.242 4.635 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HA . . . . . . . . . rr_1aoo 1
. 1 . 147 . 1 1 11 CYS HB2 H -0.938 -6.076 2.337 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB2 . . . . . . . . . rr_1aoo 1
. 1 . 148 . 1 1 11 CYS HB3 H -2.299 -7.164 2.282 . . . 1.0 . . . . . . . . . . . . A . 11 CYS HB3 . . . . . . . . . rr_1aoo 1
. 1 . 149 . 1 1 11 CYS N N -1.469 -5.423 4.920 . . . 1.0 . . . . . . . . . . . . A . 11 CYS N . . . . . . . . . rr_1aoo 1
. 1 . 150 . 1 1 11 CYS O O 0.472 -7.319 5.184 . . . 1.0 . . . . . . . . . . . . A . 11 CYS O . . . . . . . . . rr_1aoo 1
. 1 . 151 . 1 1 11 CYS SG S -3.013 -4.921 2.657 . . . 1.0 . . . . . . . . . . . . A . 11 CYS SG . . . . . . . . . rr_1aoo 1
. 1 . 152 . 1 1 12 GLY C C 1.701 -9.172 2.252 . . . 1.0 . . . . . . . . . . . . A . 12 GLY C . . . . . . . . . rr_1aoo 1
. 1 . 153 . 1 1 12 GLY CA C 0.917 -9.423 3.539 . . . 1.0 . . . . . . . . . . . . A . 12 GLY CA . . . . . . . . . rr_1aoo 1
. 1 . 154 . 1 1 12 GLY H H -0.995 -8.705 2.880 . . . 1.0 . . . . . . . . . . . . A . 12 GLY H . . . . . . . . . rr_1aoo 1
. 1 . 155 . 1 1 12 GLY HA2 H 1.533 -9.186 4.395 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA2 . . . . . . . . . rr_1aoo 1
. 1 . 156 . 1 1 12 GLY HA3 H 0.616 -10.458 3.580 . . . 1.0 . . . . . . . . . . . . A . 12 GLY HA3 . . . . . . . . . rr_1aoo 1
. 1 . 157 . 1 1 12 GLY N N -0.285 -8.550 3.532 . . . 1.0 . . . . . . . . . . . . A . 12 GLY N . . . . . . . . . rr_1aoo 1
. 1 . 158 . 1 1 12 GLY O O 2.861 -9.512 2.139 . . . 1.0 . . . . . . . . . . . . A . 12 GLY O . . . . . . . . . rr_1aoo 1
. 1 . 159 . 1 1 13 SER C C 2.633 -7.029 0.151 . . . 1.0 . . . . . . . . . . . . A . 13 SER C . . . . . . . . . rr_1aoo 1
. 1 . 160 . 1 1 13 SER CA C 1.761 -8.276 -0.004 . . . 1.0 . . . . . . . . . . . . A . 13 SER CA . . . . . . . . . rr_1aoo 1
. 1 . 161 . 1 1 13 SER CB C 0.641 -8.030 -1.013 . . . 1.0 . . . . . . . . . . . . A . 13 SER CB . . . . . . . . . rr_1aoo 1
. 1 . 162 . 1 1 13 SER H H 0.133 -8.298 1.401 . . . 1.0 . . . . . . . . . . . . A . 13 SER H . . . . . . . . . rr_1aoo 1
. 1 . 163 . 1 1 13 SER HA H 2.358 -9.121 -0.311 . . . 1.0 . . . . . . . . . . . . A . 13 SER HA . . . . . . . . . rr_1aoo 1
. 1 . 164 . 1 1 13 SER HB2 H 0.310 -8.970 -1.423 . . . 1.0 . . . . . . . . . . . . A . 13 SER HB2 . . . . . . . . . rr_1aoo 1
. 1 . 165 . 1 1 13 SER HB3 H -0.189 -7.545 -0.516 . . . 1.0 . . . . . . . . . . . . A . 13 SER HB3 . . . . . . . . . rr_1aoo 1
. 1 . 166 . 1 1 13 SER HG H 0.410 -6.640 -2.354 . . . 1.0 . . . . . . . . . . . . A . 13 SER HG . . . . . . . . . rr_1aoo 1
. 1 . 167 . 1 1 13 SER N N 1.067 -8.567 1.281 . . . 1.0 . . . . . . . . . . . . A . 13 SER N . . . . . . . . . rr_1aoo 1
. 1 . 168 . 1 1 13 SER O O 3.727 -6.959 -0.371 . . . 1.0 . . . . . . . . . . . . A . 13 SER O . . . . . . . . . rr_1aoo 1
. 1 . 169 . 1 1 13 SER OG O 1.128 -7.207 -2.064 . . . 1.0 . . . . . . . . . . . . A . 13 SER OG . . . . . . . . . rr_1aoo 1
. 1 . 170 . 1 1 14 CYS C C 3.835 -4.979 2.287 . . . 1.0 . . . . . . . . . . . . A . 14 CYS C . . . . . . . . . rr_1aoo 1
. 1 . 171 . 1 1 14 CYS CA C 2.950 -4.820 1.057 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CA . . . . . . . . . rr_1aoo 1
. 1 . 172 . 1 1 14 CYS CB C 1.886 -3.753 1.269 . . . 1.0 . . . . . . . . . . . . A . 14 CYS CB . . . . . . . . . rr_1aoo 1
. 1 . 173 . 1 1 14 CYS H H 1.283 -6.098 1.279 . . . 1.0 . . . . . . . . . . . . A . 14 CYS H . . . . . . . . . rr_1aoo 1
. 1 . 174 . 1 1 14 CYS HA H 3.538 -4.597 0.181 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HA . . . . . . . . . rr_1aoo 1
. 1 . 175 . 1 1 14 CYS HB2 H 1.364 -3.902 2.207 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB2 . . . . . . . . . rr_1aoo 1
. 1 . 176 . 1 1 14 CYS HB3 H 2.355 -2.818 1.291 . . . 1.0 . . . . . . . . . . . . A . 14 CYS HB3 . . . . . . . . . rr_1aoo 1
. 1 . 177 . 1 1 14 CYS N N 2.162 -6.043 0.867 . . . 1.0 . . . . . . . . . . . . A . 14 CYS N . . . . . . . . . rr_1aoo 1
. 1 . 178 . 1 1 14 CYS O O 5.044 -4.903 2.210 . . . 1.0 . . . . . . . . . . . . A . 14 CYS O . . . . . . . . . rr_1aoo 1
. 1 . 179 . 1 1 14 CYS SG S 0.723 -3.815 -0.120 . . . 1.0 . . . . . . . . . . . . A . 14 CYS SG . . . . . . . . . rr_1aoo 1
. 1 . 180 . 1 1 15 LYS C C 5.290 -6.240 4.360 . . . 1.0 . . . . . . . . . . . . A . 15 LYS C . . . . . . . . . rr_1aoo 1
. 1 . 181 . 1 1 15 LYS CA C 4.025 -5.414 4.661 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CA . . . . . . . . . rr_1aoo 1
. 1 . 182 . 1 1 15 LYS CB C 3.067 -6.157 5.613 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CB . . . . . . . . . rr_1aoo 1
. 1 . 183 . 1 1 15 LYS CD C 2.479 -8.353 6.656 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CD . . . . . . . . . rr_1aoo 1
. 1 . 184 . 1 1 15 LYS CE C 3.417 -8.931 7.720 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CE . . . . . . . . . rr_1aoo 1
. 1 . 185 . 1 1 15 LYS CG C 3.305 -7.672 5.562 . . . 1.0 . . . . . . . . . . . . A . 15 LYS CG . . . . . . . . . rr_1aoo 1
. 1 . 186 . 1 1 15 LYS H H 2.257 -5.284 3.435 . . . 1.0 . . . . . . . . . . . . A . 15 LYS H . . . . . . . . . rr_1aoo 1
. 1 . 187 . 1 1 15 LYS HA H 4.295 -4.459 5.084 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HA . . . . . . . . . rr_1aoo 1
. 1 . 188 . 1 1 15 LYS HB2 H 3.221 -5.807 6.622 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB2 . . . . . . . . . rr_1aoo 1
. 1 . 189 . 1 1 15 LYS HB3 H 2.047 -5.950 5.319 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HB3 . . . . . . . . . rr_1aoo 1
. 1 . 190 . 1 1 15 LYS HD2 H 1.819 -7.628 7.112 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD2 . . . . . . . . . rr_1aoo 1
. 1 . 191 . 1 1 15 LYS HD3 H 1.895 -9.150 6.223 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HD3 . . . . . . . . . rr_1aoo 1
. 1 . 192 . 1 1 15 LYS HE2 H 3.794 -9.893 7.402 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE2 . . . . . . . . . rr_1aoo 1
. 1 . 193 . 1 1 15 LYS HE3 H 4.232 -8.250 7.914 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HE3 . . . . . . . . . rr_1aoo 1
. 1 . 194 . 1 1 15 LYS HG2 H 3.006 -8.052 4.596 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG2 . . . . . . . . . rr_1aoo 1
. 1 . 195 . 1 1 15 LYS HG3 H 4.352 -7.879 5.724 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HG3 . . . . . . . . . rr_1aoo 1
. 1 . 196 . 1 1 15 LYS HZ1 H 1.821 -8.358 8.927 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ1 . . . . . . . . . rr_1aoo 1
. 1 . 197 . 1 1 15 LYS HZ2 H 2.145 -10.026 8.950 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ2 . . . . . . . . . rr_1aoo 1
. 1 . 198 . 1 1 15 LYS HZ3 H 3.160 -8.949 9.785 . . . 1.0 . . . . . . . . . . . . A . 15 LYS HZ3 . . . . . . . . . rr_1aoo 1
. 1 . 199 . 1 1 15 LYS N N 3.234 -5.220 3.413 . . . 1.0 . . . . . . . . . . . . A . 15 LYS N . . . . . . . . . rr_1aoo 1
. 1 . 200 . 1 1 15 LYS NZ N 2.572 -9.077 8.937 . . . 1.0 . . . . . . . . . . . . A . 15 LYS NZ . . . . . . . . . rr_1aoo 1
. 1 . 201 . 1 1 15 LYS O O 6.297 -6.116 5.029 . . . 1.0 . . . . . . . . . . . . A . 15 LYS O . . . . . . . . . rr_1aoo 1
. 1 . 202 . 1 1 16 ASN C C 7.028 -7.458 1.670 . . . 1.0 . . . . . . . . . . . . A . 16 ASN C . . . . . . . . . rr_1aoo 1
. 1 . 203 . 1 1 16 ASN CA C 6.431 -7.910 3.010 . . . 1.0 . . . . . . . . . . . . A . 16 ASN CA . . . . . . . . . rr_1aoo 1
. 1 . 204 . 1 1 16 ASN CB C 5.897 -9.339 2.902 . . . 1.0 . . . . . . . . . . . . A . 16 ASN CB . . . . . . . . . rr_1aoo 1
. 1 . 205 . 1 1 16 ASN CG C 6.797 -10.284 3.701 . . . 1.0 . . . . . . . . . . . . A . 16 ASN CG . . . . . . . . . rr_1aoo 1
. 1 . 206 . 1 1 16 ASN H H 4.417 -7.164 2.831 . . . 1.0 . . . . . . . . . . . . A . 16 ASN H . . . . . . . . . rr_1aoo 1
. 1 . 207 . 1 1 16 ASN HA H 7.171 -7.852 3.792 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HA . . . . . . . . . rr_1aoo 1
. 1 . 208 . 1 1 16 ASN HB2 H 4.892 -9.378 3.297 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HB2 . . . . . . . . . rr_1aoo 1
. 1 . 209 . 1 1 16 ASN HB3 H 5.889 -9.643 1.866 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HB3 . . . . . . . . . rr_1aoo 1
. 1 . 210 . 1 1 16 ASN HD21 H 5.483 -10.515 5.172 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HD21 . . . . . . . . . rr_1aoo 1
. 1 . 211 . 1 1 16 ASN HD22 H 6.937 -11.371 5.357 . . . 1.0 . . . . . . . . . . . . A . 16 ASN HD22 . . . . . . . . . rr_1aoo 1
. 1 . 212 . 1 1 16 ASN N N 5.239 -7.079 3.356 . . . 1.0 . . . . . . . . . . . . A . 16 ASN N . . . . . . . . . rr_1aoo 1
. 1 . 213 . 1 1 16 ASN ND2 N 6.371 -10.763 4.838 . . . 1.0 . . . . . . . . . . . . A . 16 ASN ND2 . . . . . . . . . rr_1aoo 1
. 1 . 214 . 1 1 16 ASN O O 8.069 -6.832 1.626 . . . 1.0 . . . . . . . . . . . . A . 16 ASN O . . . . . . . . . rr_1aoo 1
. 1 . 215 . 1 1 16 ASN OD1 O 7.897 -10.590 3.286 . . . 1.0 . . . . . . . . . . . . A . 16 ASN OD1 . . . . . . . . . rr_1aoo 1
. 1 . 216 . 1 1 17 ASN C C 7.267 -5.875 -0.746 . . . 1.0 . . . . . . . . . . . . A . 17 ASN C . . . . . . . . . rr_1aoo 1
. 1 . 217 . 1 1 17 ASN CA C 6.914 -7.360 -0.755 . . . 1.0 . . . . . . . . . . . . A . 17 ASN CA . . . . . . . . . rr_1aoo 1
. 1 . 218 . 1 1 17 ASN CB C 5.781 -7.638 -1.745 . . . 1.0 . . . . . . . . . . . . A . 17 ASN CB . . . . . . . . . rr_1aoo 1
. 1 . 219 . 1 1 17 ASN CG C 6.371 -8.097 -3.080 . . . 1.0 . . . . . . . . . . . . A . 17 ASN CG . . . . . . . . . rr_1aoo 1
. 1 . 220 . 1 1 17 ASN H H 5.542 -8.278 0.635 . . . 1.0 . . . . . . . . . . . . A . 17 ASN H . . . . . . . . . rr_1aoo 1
. 1 . 221 . 1 1 17 ASN HA H 7.781 -7.944 -1.016 . . . 1.0 . . . . . . . . . . . . A . 17 ASN HA . . . . . . . . . rr_1aoo 1
. 1 . 222 . 1 1 17 ASN HB2 H 5.138 -8.410 -1.349 . . . 1.0 . . . . . . . . . . . . A . 17 ASN HB2 . . . . . . . . . rr_1aoo 1
. 1 . 223 . 1 1 17 ASN HB3 H 5.209 -6.735 -1.899 . . . 1.0 . . . . . . . . . . . . A . 17 ASN HB3 . . . . . . . . . rr_1aoo 1
. 1 . 224 . 1 1 17 ASN HD21 H 4.612 -8.165 -3.999 . . . 1.0 . . . . . . . . . . . . A . 17 ASN HD21 . . . . . . . . . rr_1aoo 1
. 1 . 225 . 1 1 17 ASN HD22 H 5.947 -8.599 -4.954 . . . 1.0 . . . . . . . . . . . . A . 17 ASN HD22 . . . . . . . . . rr_1aoo 1
. 1 . 226 . 1 1 17 ASN N N 6.379 -7.771 0.578 . . . 1.0 . . . . . . . . . . . . A . 17 ASN N . . . . . . . . . rr_1aoo 1
. 1 . 227 . 1 1 17 ASN ND2 N 5.577 -8.304 -4.095 . . . 1.0 . . . . . . . . . . . . A . 17 ASN ND2 . . . . . . . . . rr_1aoo 1
. 1 . 228 . 1 1 17 ASN O O 6.410 -5.020 -0.848 . . . 1.0 . . . . . . . . . . . . A . 17 ASN O . . . . . . . . . rr_1aoo 1
. 1 . 229 . 1 1 17 ASN OD1 O 7.568 -8.269 -3.201 . . . 1.0 . . . . . . . . . . . . A . 17 ASN OD1 . . . . . . . . . rr_1aoo 1
. 1 . 230 . 1 1 18 GLU C C 9.070 -3.611 -2.036 . . . 1.0 . . . . . . . . . . . . A . 18 GLU C . . . . . . . . . rr_1aoo 1
. 1 . 231 . 1 1 18 GLU CA C 8.941 -4.136 -0.608 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CA . . . . . . . . . rr_1aoo 1
. 1 . 232 . 1 1 18 GLU CB C 10.299 -4.122 0.092 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CB . . . . . . . . . rr_1aoo 1
. 1 . 233 . 1 1 18 GLU CD C 12.414 -5.457 0.113 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CD . . . . . . . . . rr_1aoo 1
. 1 . 234 . 1 1 18 GLU CG C 11.327 -4.852 -0.777 . . . 1.0 . . . . . . . . . . . . A . 18 GLU CG . . . . . . . . . rr_1aoo 1
. 1 . 235 . 1 1 18 GLU H H 9.202 -6.271 -0.543 . . . 1.0 . . . . . . . . . . . . A . 18 GLU H . . . . . . . . . rr_1aoo 1
. 1 . 236 . 1 1 18 GLU HA H 8.232 -3.547 -0.054 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HA . . . . . . . . . rr_1aoo 1
. 1 . 237 . 1 1 18 GLU HB2 H 10.614 -3.099 0.246 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HB2 . . . . . . . . . rr_1aoo 1
. 1 . 238 . 1 1 18 GLU HB3 H 10.217 -4.621 1.045 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HB3 . . . . . . . . . rr_1aoo 1
. 1 . 239 . 1 1 18 GLU HG2 H 10.835 -5.638 -1.331 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HG2 . . . . . . . . . rr_1aoo 1
. 1 . 240 . 1 1 18 GLU HG3 H 11.776 -4.153 -1.466 . . . 1.0 . . . . . . . . . . . . A . 18 GLU HG3 . . . . . . . . . rr_1aoo 1
. 1 . 241 . 1 1 18 GLU N N 8.527 -5.564 -0.624 . . . 1.0 . . . . . . . . . . . . A . 18 GLU N . . . . . . . . . rr_1aoo 1
. 1 . 242 . 1 1 18 GLU O O 9.558 -2.523 -2.266 . . . 1.0 . . . . . . . . . . . . A . 18 GLU O . . . . . . . . . rr_1aoo 1
. 1 . 243 . 1 1 18 GLU OE1 O 12.204 -6.550 0.610 . . . 1.0 . . . . . . . . . . . . A . 18 GLU OE1 . . . . . . . . . rr_1aoo 1
. 1 . 244 . 1 1 18 GLU OE2 O 13.440 -4.817 0.281 . . . 1.0 . . . . . . . . . . . . A . 18 GLU OE2 . . . . . . . . . rr_1aoo 1
. 1 . 245 . 1 1 19 GLN C C 7.683 -2.846 -4.693 . . . 1.0 . . . . . . . . . . . . A . 19 GLN C . . . . . . . . . rr_1aoo 1
. 1 . 246 . 1 1 19 GLN CA C 8.742 -3.907 -4.412 . . . 1.0 . . . . . . . . . . . . A . 19 GLN CA . . . . . . . . . rr_1aoo 1
. 1 . 247 . 1 1 19 GLN CB C 8.517 -5.151 -5.272 . . . 1.0 . . . . . . . . . . . . A . 19 GLN CB . . . . . . . . . rr_1aoo 1
. 1 . 248 . 1 1 19 GLN CD C 9.090 -5.938 -7.574 . . . 1.0 . . . . . . . . . . . . A . 19 GLN CD . . . . . . . . . rr_1aoo 1
. 1 . 249 . 1 1 19 GLN CG C 9.630 -5.254 -6.317 . . . 1.0 . . . . . . . . . . . . A . 19 GLN CG . . . . . . . . . rr_1aoo 1
. 1 . 250 . 1 1 19 GLN H H 8.247 -5.255 -2.791 . . . 1.0 . . . . . . . . . . . . A . 19 GLN H . . . . . . . . . rr_1aoo 1
. 1 . 251 . 1 1 19 GLN HA H 9.712 -3.504 -4.589 . . . 1.0 . . . . . . . . . . . . A . 19 GLN HA . . . . . . . . . rr_1aoo 1
. 1 . 252 . 1 1 19 GLN HB2 H 8.529 -6.030 -4.642 . . . 1.0 . . . . . . . . . . . . A . 19 GLN HB2 . . . . . . . . . rr_1aoo 1
. 1 . 253 . 1 1 19 GLN HB3 H 7.562 -5.078 -5.770 . . . 1.0 . . . . . . . . . . . . A . 19 GLN HB3 . . . . . . . . . rr_1aoo 1
. 1 . 254 . 1 1 19 GLN HE21 H 9.153 -7.758 -6.784 . . . 1.0 . . . . . . . . . . . . A . 19 GLN HE21 . . . . . . . . . rr_1aoo 1
. 1 . 255 . 1 1 19 GLN HE22 H 8.585 -7.679 -8.382 . . . 1.0 . . . . . . . . . . . . A . 19 GLN HE22 . . . . . . . . . rr_1aoo 1
. 1 . 256 . 1 1 19 GLN HG2 H 9.981 -4.264 -6.567 . . . 1.0 . . . . . . . . . . . . A . 19 GLN HG2 . . . . . . . . . rr_1aoo 1
. 1 . 257 . 1 1 19 GLN HG3 H 10.447 -5.836 -5.917 . . . 1.0 . . . . . . . . . . . . A . 19 GLN HG3 . . . . . . . . . rr_1aoo 1
. 1 . 258 . 1 1 19 GLN N N 8.638 -4.376 -2.998 . . . 1.0 . . . . . . . . . . . . A . 19 GLN N . . . . . . . . . rr_1aoo 1
. 1 . 259 . 1 1 19 GLN NE2 N 8.929 -7.232 -7.580 . . . 1.0 . . . . . . . . . . . . A . 19 GLN NE2 . . . . . . . . . rr_1aoo 1
. 1 . 260 . 1 1 19 GLN O O 7.723 -2.145 -5.684 . . . 1.0 . . . . . . . . . . . . A . 19 GLN O . . . . . . . . . rr_1aoo 1
. 1 . 261 . 1 1 19 GLN OE1 O 8.812 -5.287 -8.562 . . . 1.0 . . . . . . . . . . . . A . 19 GLN OE1 . . . . . . . . . rr_1aoo 1
. 1 . 262 . 1 1 20 CYS C C 5.477 -0.967 -2.671 . . . 1.0 . . . . . . . . . . . . A . 20 CYS C . . . . . . . . . rr_1aoo 1
. 1 . 263 . 1 1 20 CYS CA C 5.654 -1.752 -3.975 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CA . . . . . . . . . rr_1aoo 1
. 1 . 264 . 1 1 20 CYS CB C 4.444 -2.631 -4.259 . . . 1.0 . . . . . . . . . . . . A . 20 CYS CB . . . . . . . . . rr_1aoo 1
. 1 . 265 . 1 1 20 CYS H H 6.740 -3.317 -3.052 . . . 1.0 . . . . . . . . . . . . A . 20 CYS H . . . . . . . . . rr_1aoo 1
. 1 . 266 . 1 1 20 CYS HA H 5.844 -1.093 -4.806 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HA . . . . . . . . . rr_1aoo 1
. 1 . 267 . 1 1 20 CYS HB2 H 3.655 -2.031 -4.659 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB2 . . . . . . . . . rr_1aoo 1
. 1 . 268 . 1 1 20 CYS HB3 H 4.727 -3.384 -4.976 . . . 1.0 . . . . . . . . . . . . A . 20 CYS HB3 . . . . . . . . . rr_1aoo 1
. 1 . 269 . 1 1 20 CYS N N 6.740 -2.737 -3.818 . . . 1.0 . . . . . . . . . . . . A . 20 CYS N . . . . . . . . . rr_1aoo 1
. 1 . 270 . 1 1 20 CYS O O 4.551 -0.196 -2.515 . . . 1.0 . . . . . . . . . . . . A . 20 CYS O . . . . . . . . . rr_1aoo 1
. 1 . 271 . 1 1 20 CYS SG S 3.881 -3.444 -2.739 . . . 1.0 . . . . . . . . . . . . A . 20 CYS SG . . . . . . . . . rr_1aoo 1
. 1 . 272 . 1 1 21 GLN C C 6.855 0.933 -0.501 . . . 1.0 . . . . . . . . . . . . A . 21 GLN C . . . . . . . . . rr_1aoo 1
. 1 . 273 . 1 1 21 GLN CA C 6.244 -0.467 -0.425 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CA . . . . . . . . . rr_1aoo 1
. 1 . 274 . 1 1 21 GLN CB C 7.044 -1.325 0.556 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CB . . . . . . . . . rr_1aoo 1
. 1 . 275 . 1 1 21 GLN CD C 6.724 -2.971 2.408 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CD . . . . . . . . . rr_1aoo 1
. 1 . 276 . 1 1 21 GLN CG C 6.173 -2.472 1.070 . . . 1.0 . . . . . . . . . . . . A . 21 GLN CG . . . . . . . . . rr_1aoo 1
. 1 . 277 . 1 1 21 GLN H H 7.087 -1.812 -1.875 . . . 1.0 . . . . . . . . . . . . A . 21 GLN H . . . . . . . . . rr_1aoo 1
. 1 . 278 . 1 1 21 GLN HA H 5.220 -0.418 -0.111 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HA . . . . . . . . . rr_1aoo 1
. 1 . 279 . 1 1 21 GLN HB2 H 7.913 -1.726 0.055 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB2 . . . . . . . . . rr_1aoo 1
. 1 . 280 . 1 1 21 GLN HB3 H 7.361 -0.715 1.389 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HB3 . . . . . . . . . rr_1aoo 1
. 1 . 281 . 1 1 21 GLN HE21 H 8.582 -3.168 1.735 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE21 . . . . . . . . . rr_1aoo 1
. 1 . 282 . 1 1 21 GLN HE22 H 8.351 -3.586 3.363 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HE22 . . . . . . . . . rr_1aoo 1
. 1 . 283 . 1 1 21 GLN HG2 H 5.160 -2.121 1.207 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG2 . . . . . . . . . rr_1aoo 1
. 1 . 284 . 1 1 21 GLN HG3 H 6.182 -3.280 0.355 . . . 1.0 . . . . . . . . . . . . A . 21 GLN HG3 . . . . . . . . . rr_1aoo 1
. 1 . 285 . 1 1 21 GLN N N 6.357 -1.176 -1.729 . . . 1.0 . . . . . . . . . . . . A . 21 GLN N . . . . . . . . . rr_1aoo 1
. 1 . 286 . 1 1 21 GLN NE2 N 7.991 -3.266 2.510 . . . 1.0 . . . . . . . . . . . . A . 21 GLN NE2 . . . . . . . . . rr_1aoo 1
. 1 . 287 . 1 1 21 GLN O O 7.385 1.429 0.473 . . . 1.0 . . . . . . . . . . . . A . 21 GLN O . . . . . . . . . rr_1aoo 1
. 1 . 288 . 1 1 21 GLN OE1 O 5.992 -3.095 3.370 . . . 1.0 . . . . . . . . . . . . A . 21 GLN OE1 . . . . . . . . . rr_1aoo 1
. 1 . 289 . 1 1 22 LYS C C 6.762 3.872 -2.703 . . . 1.0 . . . . . . . . . . . . A . 22 LYS C . . . . . . . . . rr_1aoo 1
. 1 . 290 . 1 1 22 LYS CA C 7.432 2.939 -1.695 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CA . . . . . . . . . rr_1aoo 1
. 1 . 291 . 1 1 22 LYS CB C 8.873 2.680 -2.104 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CB . . . . . . . . . rr_1aoo 1
. 1 . 292 . 1 1 22 LYS CD C 10.173 1.366 -3.781 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CD . . . . . . . . . rr_1aoo 1
. 1 . 293 . 1 1 22 LYS CE C 10.957 1.904 -4.978 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CE . . . . . . . . . rr_1aoo 1
. 1 . 294 . 1 1 22 LYS CG C 8.922 2.219 -3.561 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CG . . . . . . . . . rr_1aoo 1
. 1 . 295 . 1 1 22 LYS H H 6.398 1.177 -2.429 . . . 1.0 . . . . . . . . . . . . A . 22 LYS H . . . . . . . . . rr_1aoo 1
. 1 . 296 . 1 1 22 LYS HA H 7.414 3.389 -0.721 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HA . . . . . . . . . rr_1aoo 1
. 1 . 297 . 1 1 22 LYS HB2 H 9.441 3.589 -1.995 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HB2 . . . . . . . . . rr_1aoo 1
. 1 . 298 . 1 1 22 LYS HB3 H 9.288 1.912 -1.473 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HB3 . . . . . . . . . rr_1aoo 1
. 1 . 299 . 1 1 22 LYS HD2 H 10.793 1.404 -2.897 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HD2 . . . . . . . . . rr_1aoo 1
. 1 . 300 . 1 1 22 LYS HD3 H 9.882 0.344 -3.974 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HD3 . . . . . . . . . rr_1aoo 1
. 1 . 301 . 1 1 22 LYS HE2 H 10.344 1.883 -5.869 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HE2 . . . . . . . . . rr_1aoo 1
. 1 . 302 . 1 1 22 LYS HE3 H 11.304 2.908 -4.782 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HE3 . . . . . . . . . rr_1aoo 1
. 1 . 303 . 1 1 22 LYS HG2 H 8.041 1.634 -3.783 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HG2 . . . . . . . . . rr_1aoo 1
. 1 . 304 . 1 1 22 LYS HG3 H 8.957 3.080 -4.211 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HG3 . . . . . . . . . rr_1aoo 1
. 1 . 305 . 1 1 22 LYS HZ1 H 12.496 0.752 -4.179 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HZ1 . . . . . . . . . rr_1aoo 1
. 1 . 306 . 1 1 22 LYS HZ2 H 11.812 0.108 -5.592 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HZ2 . . . . . . . . . rr_1aoo 1
. 1 . 307 . 1 1 22 LYS HZ3 H 12.858 1.442 -5.689 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HZ3 . . . . . . . . . rr_1aoo 1
. 1 . 308 . 1 1 22 LYS N N 6.811 1.581 -1.635 . . . 1.0 . . . . . . . . . . . . A . 22 LYS N . . . . . . . . . rr_1aoo 1
. 1 . 309 . 1 1 22 LYS NZ N 12.118 0.982 -5.121 . . . 1.0 . . . . . . . . . . . . A . 22 LYS NZ . . . . . . . . . rr_1aoo 1
. 1 . 310 . 1 1 22 LYS O O 7.250 4.954 -2.963 . . . 1.0 . . . . . . . . . . . . A . 22 LYS O . . . . . . . . . rr_1aoo 1
. 1 . 311 . 1 1 23 SER C C 3.537 4.110 -4.484 . . . 1.0 . . . . . . . . . . . . A . 23 SER C . . . . . . . . . rr_1aoo 1
. 1 . 312 . 1 1 23 SER CA C 5.015 4.425 -4.252 . . . 1.0 . . . . . . . . . . . . A . 23 SER CA . . . . . . . . . rr_1aoo 1
. 1 . 313 . 1 1 23 SER CB C 5.815 4.268 -5.543 . . . 1.0 . . . . . . . . . . . . A . 23 SER CB . . . . . . . . . rr_1aoo 1
. 1 . 314 . 1 1 23 SER H H 5.274 2.626 -3.057 . . . 1.0 . . . . . . . . . . . . A . 23 SER H . . . . . . . . . rr_1aoo 1
. 1 . 315 . 1 1 23 SER HA H 5.103 5.433 -3.889 . . . 1.0 . . . . . . . . . . . . A . 23 SER HA . . . . . . . . . rr_1aoo 1
. 1 . 316 . 1 1 23 SER HB2 H 6.171 3.255 -5.628 . . . 1.0 . . . . . . . . . . . . A . 23 SER HB2 . . . . . . . . . rr_1aoo 1
. 1 . 317 . 1 1 23 SER HB3 H 5.179 4.495 -6.389 . . . 1.0 . . . . . . . . . . . . A . 23 SER HB3 . . . . . . . . . rr_1aoo 1
. 1 . 318 . 1 1 23 SER HG H 7.718 4.642 -5.696 . . . 1.0 . . . . . . . . . . . . A . 23 SER HG . . . . . . . . . rr_1aoo 1
. 1 . 319 . 1 1 23 SER N N 5.662 3.494 -3.272 . . . 1.0 . . . . . . . . . . . . A . 23 SER N . . . . . . . . . rr_1aoo 1
. 1 . 320 . 1 1 23 SER O O 3.043 4.162 -5.593 . . . 1.0 . . . . . . . . . . . . A . 23 SER O . . . . . . . . . rr_1aoo 1
. 1 . 321 . 1 1 23 SER OG O 6.926 5.154 -5.517 . . . 1.0 . . . . . . . . . . . . A . 23 SER OG . . . . . . . . . rr_1aoo 1
. 1 . 322 . 1 1 24 CYS C C 0.602 4.657 -2.920 . . . 1.0 . . . . . . . . . . . . A . 24 CYS C . . . . . . . . . rr_1aoo 1
. 1 . 323 . 1 1 24 CYS CA C 1.399 3.515 -3.555 . . . 1.0 . . . . . . . . . . . . A . 24 CYS CA . . . . . . . . . rr_1aoo 1
. 1 . 324 . 1 1 24 CYS CB C 1.302 2.200 -2.805 . . . 1.0 . . . . . . . . . . . . A . 24 CYS CB . . . . . . . . . rr_1aoo 1
. 1 . 325 . 1 1 24 CYS H H 3.241 3.776 -2.575 . . . 1.0 . . . . . . . . . . . . A . 24 CYS H . . . . . . . . . rr_1aoo 1
. 1 . 326 . 1 1 24 CYS HA H 1.100 3.382 -4.572 . . . 1.0 . . . . . . . . . . . . A . 24 CYS HA . . . . . . . . . rr_1aoo 1
. 1 . 327 . 1 1 24 CYS HB2 H 0.461 1.680 -3.146 . . . 1.0 . . . . . . . . . . . . A . 24 CYS HB2 . . . . . . . . . rr_1aoo 1
. 1 . 328 . 1 1 24 CYS HB3 H 2.187 1.617 -3.008 . . . 1.0 . . . . . . . . . . . . A . 24 CYS HB3 . . . . . . . . . rr_1aoo 1
. 1 . 329 . 1 1 24 CYS N N 2.831 3.809 -3.445 . . . 1.0 . . . . . . . . . . . . A . 24 CYS N . . . . . . . . . rr_1aoo 1
. 1 . 330 . 1 1 24 CYS O O 0.925 5.132 -1.862 . . . 1.0 . . . . . . . . . . . . A . 24 CYS O . . . . . . . . . rr_1aoo 1
. 1 . 331 . 1 1 24 CYS SG S 1.175 2.458 -1.029 . . . 1.0 . . . . . . . . . . . . A . 24 CYS SG . . . . . . . . . rr_1aoo 1
. 1 . 332 . 1 1 25 SER C C -2.047 5.854 -1.818 . . . 1.0 . . . . . . . . . . . . A . 25 SER C . . . . . . . . . rr_1aoo 1
. 1 . 333 . 1 1 25 SER CA C -1.183 6.286 -2.998 . . . 1.0 . . . . . . . . . . . . A . 25 SER CA . . . . . . . . . rr_1aoo 1
. 1 . 334 . 1 1 25 SER CB C -2.055 6.798 -4.144 . . . 1.0 . . . . . . . . . . . . A . 25 SER CB . . . . . . . . . rr_1aoo 1
. 1 . 335 . 1 1 25 SER H H -0.657 4.772 -4.451 . . . 1.0 . . . . . . . . . . . . A . 25 SER H . . . . . . . . . rr_1aoo 1
. 1 . 336 . 1 1 25 SER HA H -0.504 7.062 -2.678 . . . 1.0 . . . . . . . . . . . . A . 25 SER HA . . . . . . . . . rr_1aoo 1
. 1 . 337 . 1 1 25 SER HB2 H -2.645 7.633 -3.805 . . . 1.0 . . . . . . . . . . . . A . 25 SER HB2 . . . . . . . . . rr_1aoo 1
. 1 . 338 . 1 1 25 SER HB3 H -1.423 7.115 -4.963 . . . 1.0 . . . . . . . . . . . . A . 25 SER HB3 . . . . . . . . . rr_1aoo 1
. 1 . 339 . 1 1 25 SER HG H -3.791 5.921 -4.198 . . . 1.0 . . . . . . . . . . . . A . 25 SER HG . . . . . . . . . rr_1aoo 1
. 1 . 340 . 1 1 25 SER N N -0.415 5.139 -3.575 . . . 1.0 . . . . . . . . . . . . A . 25 SER N . . . . . . . . . rr_1aoo 1
. 1 . 341 . 1 1 25 SER O O -2.917 6.584 -1.387 . . . 1.0 . . . . . . . . . . . . A . 25 SER O . . . . . . . . . rr_1aoo 1
. 1 . 342 . 1 1 25 SER OG O -2.922 5.757 -4.572 . . . 1.0 . . . . . . . . . . . . A . 25 SER OG . . . . . . . . . rr_1aoo 1
. 1 . 343 . 1 1 26 CYS C C -2.554 5.341 0.981 . . . 1.0 . . . . . . . . . . . . A . 26 CYS C . . . . . . . . . rr_1aoo 1
. 1 . 344 . 1 1 26 CYS CA C -2.621 4.278 -0.114 . . . 1.0 . . . . . . . . . . . . A . 26 CYS CA . . . . . . . . . rr_1aoo 1
. 1 . 345 . 1 1 26 CYS CB C -1.930 3.017 0.353 . . . 1.0 . . . . . . . . . . . . A . 26 CYS CB . . . . . . . . . rr_1aoo 1
. 1 . 346 . 1 1 26 CYS H H -1.103 4.111 -1.604 . . . 1.0 . . . . . . . . . . . . A . 26 CYS H . . . . . . . . . rr_1aoo 1
. 1 . 347 . 1 1 26 CYS HA H -3.639 4.070 -0.399 . . . 1.0 . . . . . . . . . . . . A . 26 CYS HA . . . . . . . . . rr_1aoo 1
. 1 . 348 . 1 1 26 CYS HB2 H -0.857 3.116 0.187 . . . 1.0 . . . . . . . . . . . . A . 26 CYS HB2 . . . . . . . . . rr_1aoo 1
. 1 . 349 . 1 1 26 CYS HB3 H -2.115 2.882 1.393 . . . 1.0 . . . . . . . . . . . . A . 26 CYS HB3 . . . . . . . . . rr_1aoo 1
. 1 . 350 . 1 1 26 CYS N N -1.815 4.700 -1.271 . . . 1.0 . . . . . . . . . . . . A . 26 CYS N . . . . . . . . . rr_1aoo 1
. 1 . 351 . 1 1 26 CYS O O -1.502 5.583 1.539 . . . 1.0 . . . . . . . . . . . . A . 26 CYS O . . . . . . . . . rr_1aoo 1
. 1 . 352 . 1 1 26 CYS SG S -2.567 1.602 -0.576 . . . 1.0 . . . . . . . . . . . . A . 26 CYS SG . . . . . . . . . rr_1aoo 1
. 1 . 353 . 1 1 27 PRO C C -3.474 6.271 3.660 . . . 1.0 . . . . . . . . . . . . A . 27 PRO C . . . . . . . . . rr_1aoo 1
. 1 . 354 . 1 1 27 PRO CA C -3.723 6.954 2.337 . . . 1.0 . . . . . . . . . . . . A . 27 PRO CA . . . . . . . . . rr_1aoo 1
. 1 . 355 . 1 1 27 PRO CB C -5.139 7.514 2.238 . . . 1.0 . . . . . . . . . . . . A . 27 PRO CB . . . . . . . . . rr_1aoo 1
. 1 . 356 . 1 1 27 PRO CD C -4.991 5.696 0.669 . . . 1.0 . . . . . . . . . . . . A . 27 PRO CD . . . . . . . . . rr_1aoo 1
. 1 . 357 . 1 1 27 PRO CG C -5.934 6.424 1.592 . . . 1.0 . . . . . . . . . . . . A . 27 PRO CG . . . . . . . . . rr_1aoo 1
. 1 . 358 . 1 1 27 PRO HA H -2.994 7.719 2.170 . . . 1.0 . . . . . . . . . . . . A . 27 PRO HA . . . . . . . . . rr_1aoo 1
. 1 . 359 . 1 1 27 PRO HB2 H -5.526 7.732 3.225 . . . 1.0 . . . . . . . . . . . . A . 27 PRO HB2 . . . . . . . . . rr_1aoo 1
. 1 . 360 . 1 1 27 PRO HB3 H -5.153 8.398 1.622 . . . 1.0 . . . . . . . . . . . . A . 27 PRO HB3 . . . . . . . . . rr_1aoo 1
. 1 . 361 . 1 1 27 PRO HD2 H -5.223 4.640 0.647 . . . 1.0 . . . . . . . . . . . . A . 27 PRO HD2 . . . . . . . . . rr_1aoo 1
. 1 . 362 . 1 1 27 PRO HD3 H -5.025 6.117 -0.323 . . . 1.0 . . . . . . . . . . . . A . 27 PRO HD3 . . . . . . . . . rr_1aoo 1
. 1 . 363 . 1 1 27 PRO HG2 H -6.315 5.749 2.346 . . . 1.0 . . . . . . . . . . . . A . 27 PRO HG2 . . . . . . . . . rr_1aoo 1
. 1 . 364 . 1 1 27 PRO HG3 H -6.748 6.845 1.023 . . . 1.0 . . . . . . . . . . . . A . 27 PRO HG3 . . . . . . . . . rr_1aoo 1
. 1 . 365 . 1 1 27 PRO N N -3.677 5.929 1.274 . . . 1.0 . . . . . . . . . . . . A . 27 PRO N . . . . . . . . . rr_1aoo 1
. 1 . 366 . 1 1 27 PRO O O -4.370 5.694 4.214 . . . 1.0 . . . . . . . . . . . . A . 27 PRO O . . . . . . . . . rr_1aoo 1
. 1 . 367 . 1 1 28 THR C C -2.925 5.442 6.341 . . . 1.0 . . . . . . . . . . . . A . 28 THR C . . . . . . . . . rr_1aoo 1
. 1 . 368 . 1 1 28 THR CA C -1.788 5.623 5.364 . . . 1.0 . . . . . . . . . . . . A . 28 THR CA . . . . . . . . . rr_1aoo 1
. 1 . 369 . 1 1 28 THR CB C -0.673 6.491 5.930 . . . 1.0 . . . . . . . . . . . . A . 28 THR CB . . . . . . . . . rr_1aoo 1
. 1 . 370 . 1 1 28 THR CG2 C 0.563 6.328 5.047 . . . 1.0 . . . . . . . . . . . . A . 28 THR CG2 . . . . . . . . . rr_1aoo 1
. 1 . 371 . 1 1 28 THR H H -1.568 6.762 3.571 . . . 1.0 . . . . . . . . . . . . A . 28 THR H . . . . . . . . . rr_1aoo 1
. 1 . 372 . 1 1 28 THR HA H -1.400 4.650 5.103 . . . 1.0 . . . . . . . . . . . . A . 28 THR HA . . . . . . . . . rr_1aoo 1
. 1 . 373 . 1 1 28 THR HB H -0.439 6.176 6.934 . . . 1.0 . . . . . . . . . . . . A . 28 THR HB . . . . . . . . . rr_1aoo 1
. 1 . 374 . 1 1 28 THR HG1 H -0.418 8.361 6.405 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG1 . . . . . . . . . rr_1aoo 1
. 1 . 375 . 1 1 28 THR HG21 H 0.510 5.379 4.533 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG21 . . . . . . . . . rr_1aoo 1
. 1 . 376 . 1 1 28 THR HG22 H 0.595 7.127 4.323 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG22 . . . . . . . . . rr_1aoo 1
. 1 . 377 . 1 1 28 THR HG23 H 1.450 6.357 5.660 . . . 1.0 . . . . . . . . . . . . A . 28 THR HG23 . . . . . . . . . rr_1aoo 1
. 1 . 378 . 1 1 28 THR N N -2.233 6.314 4.109 . . . 1.0 . . . . . . . . . . . . A . 28 THR N . . . . . . . . . rr_1aoo 1
. 1 . 379 . 1 1 28 THR O O -3.028 6.031 7.399 . . . 1.0 . . . . . . . . . . . . A . 28 THR O . . . . . . . . . rr_1aoo 1
. 1 . 380 . 1 1 28 THR OG1 O -1.085 7.852 5.937 . . . 1.0 . . . . . . . . . . . . A . 28 THR OG1 . . . . . . . . . rr_1aoo 1
. 1 . 381 . 1 1 29 GLY C C -5.410 2.802 5.999 . . . 1.0 . . . . . . . . . . . . A . 29 GLY C . . . . . . . . . rr_1aoo 1
. 1 . 382 . 1 1 29 GLY CA C -4.960 4.137 6.622 . . . 1.0 . . . . . . . . . . . . A . 29 GLY CA . . . . . . . . . rr_1aoo 1
. 1 . 383 . 1 1 29 GLY H H -3.533 4.180 5.064 . . . 1.0 . . . . . . . . . . . . A . 29 GLY H . . . . . . . . . rr_1aoo 1
. 1 . 384 . 1 1 29 GLY HA2 H -4.741 4.001 7.672 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA2 . . . . . . . . . rr_1aoo 1
. 1 . 385 . 1 1 29 GLY HA3 H -5.741 4.870 6.500 . . . 1.0 . . . . . . . . . . . . A . 29 GLY HA3 . . . . . . . . . rr_1aoo 1
. 1 . 386 . 1 1 29 GLY N N -3.746 4.573 5.911 . . . 1.0 . . . . . . . . . . . . A . 29 GLY N . . . . . . . . . rr_1aoo 1
. 1 . 387 . 1 1 29 GLY O O -6.233 2.103 6.557 . . . 1.0 . . . . . . . . . . . . A . 29 GLY O . . . . . . . . . rr_1aoo 1
. 1 . 388 . 1 1 30 CYS C C -5.346 0.028 5.224 . . . 1.0 . . . . . . . . . . . . A . 30 CYS C . . . . . . . . . rr_1aoo 1
. 1 . 389 . 1 1 30 CYS CA C -5.321 1.160 4.197 . . . 1.0 . . . . . . . . . . . . A . 30 CYS CA . . . . . . . . . rr_1aoo 1
. 1 . 390 . 1 1 30 CYS CB C -4.277 0.889 3.118 . . . 1.0 . . . . . . . . . . . . A . 30 CYS CB . . . . . . . . . rr_1aoo 1
. 1 . 391 . 1 1 30 CYS H H -4.223 3.006 4.358 . . . 1.0 . . . . . . . . . . . . A . 30 CYS H . . . . . . . . . rr_1aoo 1
. 1 . 392 . 1 1 30 CYS HA H -6.293 1.276 3.743 . . . 1.0 . . . . . . . . . . . . A . 30 CYS HA . . . . . . . . . rr_1aoo 1
. 1 . 393 . 1 1 30 CYS HB2 H -4.072 1.804 2.585 . . . 1.0 . . . . . . . . . . . . A . 30 CYS HB2 . . . . . . . . . rr_1aoo 1
. 1 . 394 . 1 1 30 CYS HB3 H -3.371 0.530 3.578 . . . 1.0 . . . . . . . . . . . . A . 30 CYS HB3 . . . . . . . . . rr_1aoo 1
. 1 . 395 . 1 1 30 CYS N N -4.889 2.438 4.829 . . . 1.0 . . . . . . . . . . . . A . 30 CYS N . . . . . . . . . rr_1aoo 1
. 1 . 396 . 1 1 30 CYS O O -4.326 -0.381 5.742 . . . 1.0 . . . . . . . . . . . . A . 30 CYS O . . . . . . . . . rr_1aoo 1
. 1 . 397 . 1 1 30 CYS SG S -4.909 -0.351 1.961 . . . 1.0 . . . . . . . . . . . . A . 30 CYS SG . . . . . . . . . rr_1aoo 1
. 1 . 398 . 1 1 31 ASN C C -7.649 -2.616 6.020 . . . 1.0 . . . . . . . . . . . . A . 31 ASN C . . . . . . . . . rr_1aoo 1
. 1 . 399 . 1 1 31 ASN CA C -6.619 -1.590 6.501 . . . 1.0 . . . . . . . . . . . . A . 31 ASN CA . . . . . . . . . rr_1aoo 1
. 1 . 400 . 1 1 31 ASN CB C -7.084 -0.920 7.795 . . . 1.0 . . . . . . . . . . . . A . 31 ASN CB . . . . . . . . . rr_1aoo 1
. 1 . 401 . 1 1 31 ASN CG C -6.124 -1.282 8.929 . . . 1.0 . . . . . . . . . . . . A . 31 ASN CG . . . . . . . . . rr_1aoo 1
. 1 . 402 . 1 1 31 ASN H H -7.314 -0.133 5.076 . . . 1.0 . . . . . . . . . . . . A . 31 ASN H . . . . . . . . . rr_1aoo 1
. 1 . 403 . 1 1 31 ASN HA H -5.660 -2.058 6.651 . . . 1.0 . . . . . . . . . . . . A . 31 ASN HA . . . . . . . . . rr_1aoo 1
. 1 . 404 . 1 1 31 ASN HB2 H -7.096 0.152 7.661 . . . 1.0 . . . . . . . . . . . . A . 31 ASN HB2 . . . . . . . . . rr_1aoo 1
. 1 . 405 . 1 1 31 ASN HB3 H -8.077 -1.264 8.043 . . . 1.0 . . . . . . . . . . . . A . 31 ASN HB3 . . . . . . . . . rr_1aoo 1
. 1 . 406 . 1 1 31 ASN HD21 H -4.709 -0.027 8.323 . . . 1.0 . . . . . . . . . . . . A . 31 ASN HD21 . . . . . . . . . rr_1aoo 1
. 1 . 407 . 1 1 31 ASN HD22 H -4.338 -0.920 9.718 . . . 1.0 . . . . . . . . . . . . A . 31 ASN HD22 . . . . . . . . . rr_1aoo 1
. 1 . 408 . 1 1 31 ASN N N -6.509 -0.481 5.513 . . . 1.0 . . . . . . . . . . . . A . 31 ASN N . . . . . . . . . rr_1aoo 1
. 1 . 409 . 1 1 31 ASN ND2 N -4.960 -0.694 8.996 . . . 1.0 . . . . . . . . . . . . A . 31 ASN ND2 . . . . . . . . . rr_1aoo 1
. 1 . 410 . 1 1 31 ASN O O -8.111 -3.450 6.774 . . . 1.0 . . . . . . . . . . . . A . 31 ASN O . . . . . . . . . rr_1aoo 1
. 1 . 411 . 1 1 31 ASN OD1 O -6.435 -2.109 9.763 . . . 1.0 . . . . . . . . . . . . A . 31 ASN OD1 . . . . . . . . . rr_1aoo 1
. 1 . 412 . 1 1 32 SER C C -8.379 -4.367 3.116 . . . 1.0 . . . . . . . . . . . . A . 32 SER C . . . . . . . . . rr_1aoo 1
. 1 . 413 . 1 1 32 SER CA C -9.009 -3.528 4.230 . . . 1.0 . . . . . . . . . . . . A . 32 SER CA . . . . . . . . . rr_1aoo 1
. 1 . 414 . 1 1 32 SER CB C -10.141 -2.660 3.679 . . . 1.0 . . . . . . . . . . . . A . 32 SER CB . . . . . . . . . rr_1aoo 1
. 1 . 415 . 1 1 32 SER H H -7.624 -1.879 4.177 . . . 1.0 . . . . . . . . . . . . A . 32 SER H . . . . . . . . . rr_1aoo 1
. 1 . 416 . 1 1 32 SER HA H -9.381 -4.165 5.015 . . . 1.0 . . . . . . . . . . . . A . 32 SER HA . . . . . . . . . rr_1aoo 1
. 1 . 417 . 1 1 32 SER HB2 H -9.740 -1.724 3.327 . . . 1.0 . . . . . . . . . . . . A . 32 SER HB2 . . . . . . . . . rr_1aoo 1
. 1 . 418 . 1 1 32 SER HB3 H -10.620 -3.176 2.857 . . . 1.0 . . . . . . . . . . . . A . 32 SER HB3 . . . . . . . . . rr_1aoo 1
. 1 . 419 . 1 1 32 SER HG H -11.001 -3.099 5.370 . . . 1.0 . . . . . . . . . . . . A . 32 SER HG . . . . . . . . . rr_1aoo 1
. 1 . 420 . 1 1 32 SER N N -8.010 -2.560 4.767 . . . 1.0 . . . . . . . . . . . . A . 32 SER N . . . . . . . . . rr_1aoo 1
. 1 . 421 . 1 1 32 SER O O -7.222 -4.203 2.780 . . . 1.0 . . . . . . . . . . . . A . 32 SER O . . . . . . . . . rr_1aoo 1
. 1 . 422 . 1 1 32 SER OG O -11.085 -2.405 4.712 . . . 1.0 . . . . . . . . . . . . A . 32 SER OG . . . . . . . . . rr_1aoo 1
. 1 . 423 . 1 1 33 ASP C C -9.122 -5.661 0.099 . . . 1.0 . . . . . . . . . . . . A . 33 ASP C . . . . . . . . . rr_1aoo 1
. 1 . 424 . 1 1 33 ASP CA C -8.565 -6.110 1.450 . . . 1.0 . . . . . . . . . . . . A . 33 ASP CA . . . . . . . . . rr_1aoo 1
. 1 . 425 . 1 1 33 ASP CB C -9.018 -7.533 1.776 . . . 1.0 . . . . . . . . . . . . A . 33 ASP CB . . . . . . . . . rr_1aoo 1
. 1 . 426 . 1 1 33 ASP CG C -7.875 -8.285 2.461 . . . 1.0 . . . . . . . . . . . . A . 33 ASP CG . . . . . . . . . rr_1aoo 1
. 1 . 427 . 1 1 33 ASP H H -10.058 -5.383 2.824 . . . 1.0 . . . . . . . . . . . . A . 33 ASP H . . . . . . . . . rr_1aoo 1
. 1 . 428 . 1 1 33 ASP HA H -7.488 -6.056 1.449 . . . 1.0 . . . . . . . . . . . . A . 33 ASP HA . . . . . . . . . rr_1aoo 1
. 1 . 429 . 1 1 33 ASP HB2 H -9.873 -7.497 2.436 . . . 1.0 . . . . . . . . . . . . A . 33 ASP HB2 . . . . . . . . . rr_1aoo 1
. 1 . 430 . 1 1 33 ASP HB3 H -9.286 -8.044 0.864 . . . 1.0 . . . . . . . . . . . . A . 33 ASP HB3 . . . . . . . . . rr_1aoo 1
. 1 . 431 . 1 1 33 ASP N N -9.127 -5.264 2.541 . . . 1.0 . . . . . . . . . . . . A . 33 ASP N . . . . . . . . . rr_1aoo 1
. 1 . 432 . 1 1 33 ASP O O -8.433 -5.670 -0.902 . . . 1.0 . . . . . . . . . . . . A . 33 ASP O . . . . . . . . . rr_1aoo 1
. 1 . 433 . 1 1 33 ASP OD1 O -7.576 -7.960 3.598 . . . 1.0 . . . . . . . . . . . . A . 33 ASP OD1 . . . . . . . . . rr_1aoo 1
. 1 . 434 . 1 1 33 ASP OD2 O -7.317 -9.171 1.836 . . . 1.0 . . . . . . . . . . . . A . 33 ASP OD2 . . . . . . . . . rr_1aoo 1
. 1 . 435 . 1 1 34 ASP C C -10.778 -3.290 -1.353 . . . 1.0 . . . . . . . . . . . . A . 34 ASP C . . . . . . . . . rr_1aoo 1
. 1 . 436 . 1 1 34 ASP CA C -10.957 -4.785 -1.217 . . . 1.0 . . . . . . . . . . . . A . 34 ASP CA . . . . . . . . . rr_1aoo 1
. 1 . 437 . 1 1 34 ASP CB C -12.435 -5.176 -1.170 . . . 1.0 . . . . . . . . . . . . A . 34 ASP CB . . . . . . . . . rr_1aoo 1
. 1 . 438 . 1 1 34 ASP CG C -12.628 -6.530 -1.855 . . . 1.0 . . . . . . . . . . . . A . 34 ASP CG . . . . . . . . . rr_1aoo 1
. 1 . 439 . 1 1 34 ASP H H -10.888 -5.233 0.882 . . . 1.0 . . . . . . . . . . . . A . 34 ASP H . . . . . . . . . rr_1aoo 1
. 1 . 440 . 1 1 34 ASP HA H -10.458 -5.264 -2.034 . . . 1.0 . . . . . . . . . . . . A . 34 ASP HA . . . . . . . . . rr_1aoo 1
. 1 . 441 . 1 1 34 ASP HB2 H -12.757 -5.243 -0.141 . . . 1.0 . . . . . . . . . . . . A . 34 ASP HB2 . . . . . . . . . rr_1aoo 1
. 1 . 442 . 1 1 34 ASP HB3 H -13.022 -4.428 -1.683 . . . 1.0 . . . . . . . . . . . . A . 34 ASP HB3 . . . . . . . . . rr_1aoo 1
. 1 . 443 . 1 1 34 ASP N N -10.362 -5.253 0.065 . . . 1.0 . . . . . . . . . . . . A . 34 ASP N . . . . . . . . . rr_1aoo 1
. 1 . 444 . 1 1 34 ASP O O -11.542 -2.598 -1.994 . . . 1.0 . . . . . . . . . . . . A . 34 ASP O . . . . . . . . . rr_1aoo 1
. 1 . 445 . 1 1 34 ASP OD1 O -11.908 -7.453 -1.512 . . . 1.0 . . . . . . . . . . . . A . 34 ASP OD1 . . . . . . . . . rr_1aoo 1
. 1 . 446 . 1 1 34 ASP OD2 O -13.492 -6.621 -2.711 . . . 1.0 . . . . . . . . . . . . A . 34 ASP OD2 . . . . . . . . . rr_1aoo 1
. 1 . 447 . 1 1 35 LYS C C -7.916 -1.293 -1.095 . . . 1.0 . . . . . . . . . . . . A . 35 LYS C . . . . . . . . . rr_1aoo 1
. 1 . 448 . 1 1 35 LYS CA C -9.403 -1.382 -0.876 . . . 1.0 . . . . . . . . . . . . A . 35 LYS CA . . . . . . . . . rr_1aoo 1
. 1 . 449 . 1 1 35 LYS CB C -9.815 -0.759 0.458 . . . 1.0 . . . . . . . . . . . . A . 35 LYS CB . . . . . . . . . rr_1aoo 1
. 1 . 450 . 1 1 35 LYS CD C -11.926 0.563 0.313 . . . 1.0 . . . . . . . . . . . . A . 35 LYS CD . . . . . . . . . rr_1aoo 1
. 1 . 451 . 1 1 35 LYS CE C -12.530 0.586 -1.092 . . . 1.0 . . . . . . . . . . . . A . 35 LYS CE . . . . . . . . . rr_1aoo 1
. 1 . 452 . 1 1 35 LYS CG C -10.403 0.630 0.212 . . . 1.0 . . . . . . . . . . . . A . 35 LYS CG . . . . . . . . . rr_1aoo 1
. 1 . 453 . 1 1 35 LYS H H -9.135 -3.424 -0.318 . . . 1.0 . . . . . . . . . . . . A . 35 LYS H . . . . . . . . . rr_1aoo 1
. 1 . 454 . 1 1 35 LYS HA H -9.922 -0.937 -1.695 . . . 1.0 . . . . . . . . . . . . A . 35 LYS HA . . . . . . . . . rr_1aoo 1
. 1 . 455 . 1 1 35 LYS HB2 H -10.554 -1.385 0.934 . . . 1.0 . . . . . . . . . . . . A . 35 LYS HB2 . . . . . . . . . rr_1aoo 1
. 1 . 456 . 1 1 35 LYS HB3 H -8.949 -0.672 1.098 . . . 1.0 . . . . . . . . . . . . A . 35 LYS HB3 . . . . . . . . . rr_1aoo 1
. 1 . 457 . 1 1 35 LYS HD2 H -12.214 -0.349 0.816 . . . 1.0 . . . . . . . . . . . . A . 35 LYS HD2 . . . . . . . . . rr_1aoo 1
. 1 . 458 . 1 1 35 LYS HD3 H -12.288 1.413 0.872 . . . 1.0 . . . . . . . . . . . . A . 35 LYS HD3 . . . . . . . . . rr_1aoo 1
. 1 . 459 . 1 1 35 LYS HE2 H -11.748 0.693 -1.833 . . . 1.0 . . . . . . . . . . . . A . 35 LYS HE2 . . . . . . . . . rr_1aoo 1
. 1 . 460 . 1 1 35 LYS HE3 H -13.101 -0.312 -1.273 . . . 1.0 . . . . . . . . . . . . A . 35 LYS HE3 . . . . . . . . . rr_1aoo 1
. 1 . 461 . 1 1 35 LYS HG2 H -10.021 1.320 0.951 . . . 1.0 . . . . . . . . . . . . A . 35 LYS HG2 . . . . . . . . . rr_1aoo 1
. 1 . 462 . 1 1 35 LYS HG3 H -10.125 0.969 -0.775 . . . 1.0 . . . . . . . . . . . . A . 35 LYS HG3 . . . . . . . . . rr_1aoo 1
. 1 . 463 . 1 1 35 LYS HZ1 H -13.842 1.903 -0.159 . . . 1.0 . . . . . . . . . . . . A . 35 LYS HZ1 . . . . . . . . . rr_1aoo 1
. 1 . 464 . 1 1 35 LYS HZ2 H -12.879 2.620 -1.357 . . . 1.0 . . . . . . . . . . . . A . 35 LYS HZ2 . . . . . . . . . rr_1aoo 1
. 1 . 465 . 1 1 35 LYS HZ3 H -14.186 1.628 -1.800 . . . 1.0 . . . . . . . . . . . . A . 35 LYS HZ3 . . . . . . . . . rr_1aoo 1
. 1 . 466 . 1 1 35 LYS N N -9.735 -2.816 -0.784 . . . 1.0 . . . . . . . . . . . . A . 35 LYS N . . . . . . . . . rr_1aoo 1
. 1 . 467 . 1 1 35 LYS NZ N -13.427 1.774 -1.103 . . . 1.0 . . . . . . . . . . . . A . 35 LYS NZ . . . . . . . . . rr_1aoo 1
. 1 . 468 . 1 1 35 LYS O O -7.253 -0.344 -0.727 . . . 1.0 . . . . . . . . . . . . A . 35 LYS O . . . . . . . . . rr_1aoo 1
. 1 . 469 . 1 1 36 CYS C C -5.694 -2.853 -3.371 . . . 1.0 . . . . . . . . . . . . A . 36 CYS C . . . . . . . . . rr_1aoo 1
. 1 . 470 . 1 1 36 CYS CA C -5.952 -2.365 -1.973 . . . 1.0 . . . . . . . . . . . . A . 36 CYS CA . . . . . . . . . rr_1aoo 1
. 1 . 471 . 1 1 36 CYS CB C -5.405 -3.391 -1.031 . . . 1.0 . . . . . . . . . . . . A . 36 CYS CB . . . . . . . . . rr_1aoo 1
. 1 . 472 . 1 1 36 CYS H H -7.983 -3.057 -1.972 . . . 1.0 . . . . . . . . . . . . A . 36 CYS H . . . . . . . . . rr_1aoo 1
. 1 . 473 . 1 1 36 CYS HA H -5.486 -1.410 -1.799 . . . 1.0 . . . . . . . . . . . . A . 36 CYS HA . . . . . . . . . rr_1aoo 1
. 1 . 474 . 1 1 36 CYS HB2 H -5.970 -3.371 -0.132 . . . 1.0 . . . . . . . . . . . . A . 36 CYS HB2 . . . . . . . . . rr_1aoo 1
. 1 . 475 . 1 1 36 CYS HB3 H -5.501 -4.351 -1.503 . . . 1.0 . . . . . . . . . . . . A . 36 CYS HB3 . . . . . . . . . rr_1aoo 1
. 1 . 476 . 1 1 36 CYS N N -7.400 -2.312 -1.700 . . . 1.0 . . . . . . . . . . . . A . 36 CYS N . . . . . . . . . rr_1aoo 1
. 1 . 477 . 1 1 36 CYS O O -5.088 -3.889 -3.562 . . . 1.0 . . . . . . . . . . . . A . 36 CYS O . . . . . . . . . rr_1aoo 1
. 1 . 478 . 1 1 36 CYS SG S -3.661 -3.052 -0.682 . . . 1.0 . . . . . . . . . . . . A . 36 CYS SG . . . . . . . . . rr_1aoo 1
. 1 . 479 . 1 1 37 PRO C C -4.457 -1.881 -6.028 . . . 1.0 . . . . . . . . . . . . A . 37 PRO C . . . . . . . . . rr_1aoo 1
. 1 . 480 . 1 1 37 PRO CA C -5.839 -2.419 -5.693 . . . 1.0 . . . . . . . . . . . . A . 37 PRO CA . . . . . . . . . rr_1aoo 1
. 1 . 481 . 1 1 37 PRO CB C -6.972 -1.725 -6.442 . . . 1.0 . . . . . . . . . . . . A . 37 PRO CB . . . . . . . . . rr_1aoo 1
. 1 . 482 . 1 1 37 PRO CD C -6.839 -0.833 -4.170 . . . 1.0 . . . . . . . . . . . . A . 37 PRO CD . . . . . . . . . rr_1aoo 1
. 1 . 483 . 1 1 37 PRO CG C -7.434 -0.612 -5.538 . . . 1.0 . . . . . . . . . . . . A . 37 PRO CG . . . . . . . . . rr_1aoo 1
. 1 . 484 . 1 1 37 PRO HA H -5.871 -3.482 -5.831 . . . 1.0 . . . . . . . . . . . . A . 37 PRO HA . . . . . . . . . rr_1aoo 1
. 1 . 485 . 1 1 37 PRO HB2 H -6.607 -1.324 -7.378 . . . 1.0 . . . . . . . . . . . . A . 37 PRO HB2 . . . . . . . . . rr_1aoo 1
. 1 . 486 . 1 1 37 PRO HB3 H -7.782 -2.415 -6.620 . . . 1.0 . . . . . . . . . . . . A . 37 PRO HB3 . . . . . . . . . rr_1aoo 1
. 1 . 487 . 1 1 37 PRO HD2 H -6.174 -0.021 -3.911 . . . 1.0 . . . . . . . . . . . . A . 37 PRO HD2 . . . . . . . . . rr_1aoo 1
. 1 . 488 . 1 1 37 PRO HD3 H -7.617 -0.940 -3.430 . . . 1.0 . . . . . . . . . . . . A . 37 PRO HD3 . . . . . . . . . rr_1aoo 1
. 1 . 489 . 1 1 37 PRO HG2 H -7.109 0.336 -5.926 . . . 1.0 . . . . . . . . . . . . A . 37 PRO HG2 . . . . . . . . . rr_1aoo 1
. 1 . 490 . 1 1 37 PRO HG3 H -8.511 -0.631 -5.461 . . . 1.0 . . . . . . . . . . . . A . 37 PRO HG3 . . . . . . . . . rr_1aoo 1
. 1 . 491 . 1 1 37 PRO N N -6.101 -2.080 -4.305 . . . 1.0 . . . . . . . . . . . . A . 37 PRO N . . . . . . . . . rr_1aoo 1
. 1 . 492 . 1 1 37 PRO O O -4.191 -1.391 -7.108 . . . 1.0 . . . . . . . . . . . . A . 37 PRO O . . . . . . . . . rr_1aoo 1
. 1 . 493 . 1 1 38 CYS C C -1.281 -2.509 -5.811 . . . 1.0 . . . . . . . . . . . . A . 38 CYS C . . . . . . . . . rr_1aoo 1
. 1 . 494 . 1 1 38 CYS CA C -2.200 -1.464 -5.222 . . . 1.0 . . . . . . . . . . . . A . 38 CYS CA . . . . . . . . . rr_1aoo 1
. 1 . 495 . 1 1 38 CYS CB C -1.800 -1.102 -3.806 . . . 1.0 . . . . . . . . . . . . A . 38 CYS CB . . . . . . . . . rr_1aoo 1
. 1 . 496 . 1 1 38 CYS H H -3.852 -2.354 -4.190 . . . 1.0 . . . . . . . . . . . . A . 38 CYS H . . . . . . . . . rr_1aoo 1
. 1 . 497 . 1 1 38 CYS HA H -2.170 -0.577 -5.836 . . . 1.0 . . . . . . . . . . . . A . 38 CYS HA . . . . . . . . . rr_1aoo 1
. 1 . 498 . 1 1 38 CYS HB2 H -2.197 -0.139 -3.600 . . . 1.0 . . . . . . . . . . . . A . 38 CYS HB2 . . . . . . . . . rr_1aoo 1
. 1 . 499 . 1 1 38 CYS HB3 H -2.225 -1.820 -3.118 . . . 1.0 . . . . . . . . . . . . A . 38 CYS HB3 . . . . . . . . . rr_1aoo 1
. 1 . 500 . 1 1 38 CYS N N -3.583 -1.966 -5.059 . . . 1.0 . . . . . . . . . . . . A . 38 CYS N . . . . . . . . . rr_1aoo 1
. 1 . 501 . 1 1 38 CYS O O -1.325 -3.684 -5.502 . . . 1.0 . . . . . . . . . . . . A . 38 CYS O . . . . . . . . . rr_1aoo 1
. 1 . 502 . 1 1 38 CYS SG S -0.001 -1.062 -3.607 . . . 1.0 . . . . . . . . . . . . A . 38 CYS SG . . . . . . . . . rr_1aoo 1
. 1 . 503 . 1 1 39 GLY C C 1.902 -2.151 -7.344 . . . 1.0 . . . . . . . . . . . . A . 39 GLY C . . . . . . . . . rr_1aoo 1
. 1 . 504 . 1 1 39 GLY CA C 0.570 -2.901 -7.312 . . . 1.0 . . . . . . . . . . . . A . 39 GLY CA . . . . . . . . . rr_1aoo 1
. 1 . 505 . 1 1 39 GLY H H -0.453 -1.071 -6.826 . . . 1.0 . . . . . . . . . . . . A . 39 GLY H . . . . . . . . . rr_1aoo 1
. 1 . 506 . 1 1 39 GLY HA2 H 0.681 -3.822 -6.756 . . . 1.0 . . . . . . . . . . . . A . 39 GLY HA2 . . . . . . . . . rr_1aoo 1
. 1 . 507 . 1 1 39 GLY HA3 H 0.256 -3.118 -8.321 . . . 1.0 . . . . . . . . . . . . A . 39 GLY HA3 . . . . . . . . . rr_1aoo 1
. 1 . 508 . 1 1 39 GLY N N -0.434 -2.035 -6.647 . . . 1.0 . . . . . . . . . . . . A . 39 GLY N . . . . . . . . . rr_1aoo 1
. 1 . 509 . 1 1 39 GLY O O 2.864 -2.596 -7.938 . . . 1.0 . . . . . . . . . . . . A . 39 GLY O . . . . . . . . . rr_1aoo 1
. 1 . 510 . 1 1 40 ASN C C 3.227 0.768 -5.530 . . . 1.0 . . . . . . . . . . . . A . 40 ASN C . . . . . . . . . rr_1aoo 1
. 1 . 511 . 1 1 40 ASN CA C 3.231 -0.225 -6.696 . . . 1.0 . . . . . . . . . . . . A . 40 ASN CA . . . . . . . . . rr_1aoo 1
. 1 . 512 . 1 1 40 ASN CB C 3.247 0.514 -8.036 . . . 1.0 . . . . . . . . . . . . A . 40 ASN CB . . . . . . . . . rr_1aoo 1
. 1 . 513 . 1 1 40 ASN CG C 1.892 1.186 -8.265 . . . 1.0 . . . . . . . . . . . . A . 40 ASN CG . . . . . . . . . rr_1aoo 1
. 1 . 514 . 1 1 40 ASN H H 1.167 -0.665 -6.227 . . . 1.0 . . . . . . . . . . . . A . 40 ASN H . . . . . . . . . rr_1aoo 1
. 1 . 515 . 1 1 40 ASN HA H 4.082 -0.884 -6.629 . . . 1.0 . . . . . . . . . . . . A . 40 ASN HA . . . . . . . . . rr_1aoo 1
. 1 . 516 . 1 1 40 ASN HB2 H 4.026 1.264 -8.024 . . . 1.0 . . . . . . . . . . . . A . 40 ASN HB2 . . . . . . . . . rr_1aoo 1
. 1 . 517 . 1 1 40 ASN HB3 H 3.437 -0.190 -8.832 . . . 1.0 . . . . . . . . . . . . A . 40 ASN HB3 . . . . . . . . . rr_1aoo 1
. 1 . 518 . 1 1 40 ASN HD21 H 2.124 2.479 -6.777 . . . 1.0 . . . . . . . . . . . . A . 40 ASN HD21 . . . . . . . . . rr_1aoo 1
. 1 . 519 . 1 1 40 ASN HD22 H 0.663 2.611 -7.634 . . . 1.0 . . . . . . . . . . . . A . 40 ASN HD22 . . . . . . . . . rr_1aoo 1
. 1 . 520 . 1 1 40 ASN N N 1.962 -1.009 -6.705 . . . 1.0 . . . . . . . . . . . . A . 40 ASN N . . . . . . . . . rr_1aoo 1
. 1 . 521 . 1 1 40 ASN ND2 N 1.530 2.173 -7.495 . . . 1.0 . . . . . . . . . . . . A . 40 ASN ND2 . . . . . . . . . rr_1aoo 1
. 1 . 522 . 1 1 40 ASN O O 2.153 1.060 -5.031 . . . 1.0 . . . . . . . . . . . . A . 40 ASN O . . . . . . . . . rr_1aoo 1
. 1 . 523 . 1 1 40 ASN OXT O 4.298 1.218 -5.156 . . . 1.0 . . . . . . . . . . . . A . 40 ASN OXT . . . . . . . . . rr_1aoo 1
. 1 . 524 . 1 1 40 ASN OD1 O 1.157 0.806 -9.155 . . . 1.0 . . . . . . . . . . . . A . 40 ASN OD1 . . . . . . . . . rr_1aoo 1
. 1 . 525 . 2 2 1 AG AG Ag 0.846 0.343 0.255 . . . 1.0 . . . . . . . . . . . . A . 41 AG AG . . . . . . . . . rr_1aoo 1
. 1 . 526 . 3 2 1 AG AG Ag -1.646 -3.783 0.672 . . . 1.0 . . . . . . . . . . . . A . 42 AG AG . . . . . . . . . rr_1aoo 1
. 1 . 527 . 4 2 1 AG AG Ag 3.575 -1.746 -0.921 . . . 1.0 . . . . . . . . . . . . A . 43 AG AG . . . . . . . . . rr_1aoo 1
. 1 . 528 . 5 2 1 AG AG Ag -0.714 0.773 -2.028 . . . 1.0 . . . . . . . . . . . . A . 44 AG AG . . . . . . . . . rr_1aoo 1
. 1 . 529 . 6 2 1 AG AG Ag -3.898 -2.582 2.473 . . . 1.0 . . . . . . . . . . . . A . 45 AG AG . . . . . . . . . rr_1aoo 1
. 1 . 530 . 7 2 1 AG AG Ag -3.392 -0.662 -0.018 . . . 1.0 . . . . . . . . . . . . A . 46 AG AG . . . . . . . . . rr_1aoo 1
. 1 . 531 . 8 2 1 AG AG Ag 0.557 -1.586 -1.227 . . . 1.0 . . . . . . . . . . . . A . 47 AG AG . . . . . . . . . rr_1aoo 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_1aoo
_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 1aoo.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1aoo 1
1 1aoo.mr . . XPLOR/CNS 2 distance "general distance" simple 11 rr_1aoo 1
1 1aoo.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1aoo 1
1 1aoo.mr . . XPLOR/CNS 4 distance "general distance" simple 23 rr_1aoo 1
1 1aoo.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 rr_1aoo 1
1 1aoo.mr . . XPLOR/CNS 6 distance "general distance" simple 13 rr_1aoo 1
1 1aoo.mr . . XPLOR/CNS 7 distance NOE simple 220 rr_1aoo 1
1 1aoo.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 rr_1aoo 1
1 1aoo.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1aoo 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_1aoo
_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: '1aoo'" . . . . distance "general distance" . 0 rr_1aoo 1
2 "From CCPN project: '1aoo'" . . . . distance "general distance" . 15 rr_1aoo 1
4 "From CCPN project: '1aoo'" . . . . distance "general distance" . 220 rr_1aoo 1
3 "From CCPN project: '1aoo'" . . . . distance "general distance" . 0 rr_1aoo 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 1aoo.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1aoo 1
1 1aoo.mr . . XPLOR/CNS 2 distance "general distance" simple 11 rr_1aoo 1
1 1aoo.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1aoo 1
1 1aoo.mr . . XPLOR/CNS 4 distance "general distance" simple 23 rr_1aoo 1
1 1aoo.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 rr_1aoo 1
1 1aoo.mr . . XPLOR/CNS 6 distance "general distance" simple 13 rr_1aoo 1
1 1aoo.mr . . XPLOR/CNS 7 distance NOE simple 220 rr_1aoo 1
1 1aoo.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 rr_1aoo 1
1 1aoo.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1aoo 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2
_Gen_dist_constraint_list.Entry_ID rr_1aoo
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type "general distance"
_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_1aoo 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
;assign (resid 49 and name AG )(resid 14 and name SG ) 2.50 0.0 0.2
assign (resid 50 and name AG )(resid 26 and name SG ) 2.50 0.0 0.2
;
4 1 5 77 rr_1aoo 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) ' .20.AG' (nmrStar names) not linked" rr_1aoo 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .30.AG' (nmrStar names) not linked" rr_1aoo 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .38.AG' (nmrStar names) not linked" rr_1aoo 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .9.AG' (nmrStar names) not linked" rr_1aoo 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .9.AG' (nmrStar names) not linked" rr_1aoo 1
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .14.AG' (nmrStar names) not linked" rr_1aoo 1
7 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .14.AG' (nmrStar names) not linked" rr_1aoo 1
8 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .26.AG' (nmrStar names) not linked" rr_1aoo 1
9 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .26.AG' (nmrStar names) not linked" rr_1aoo 1
10 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .36.AG' (nmrStar names) not linked" rr_1aoo 1
11 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .36.AG' (nmrStar names) not linked" rr_1aoo 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4
_Gen_dist_constraint_list.Entry_ID rr_1aoo
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type "general distance"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 4
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1aoo 2
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 7 7 CYS SG S . . . 1 1 20 20 CYS SG S . . . . . 5.00 5.00 5.00 . . . . . A . 7 CYS SG . . A . 20 CYS SG . . . 7 . SG . . . . . 20 . SG . . rr_1aoo 2
2 1 . . 1 1 7 7 CYS SG S . . . 1 1 9 9 CYS SG S . . . . . 4.33 3.88 4.78 . . . . . A . 7 CYS SG . . A . 9 CYS SG . . . 7 . SG . . . . . 9 . SG . . rr_1aoo 2
3 1 . . 1 1 24 24 CYS SG S . . . 1 1 9 9 CYS SG S . . . . . 4.33 3.88 4.78 . . . . . A . 24 CYS SG . . A . 9 CYS SG . . . 24 . SG . . . . . 9 . SG . . rr_1aoo 2
4 1 . . 1 1 7 7 CYS SG S . . . 1 1 24 24 CYS SG S . . . . . 4.33 3.88 4.78 . . . . . A . 7 CYS SG . . A . 24 CYS SG . . . 7 . SG . . . . . 24 . SG . . rr_1aoo 2
5 1 . . 1 1 24 24 CYS SG S . . . 1 1 38 38 CYS SG S . . . . . 4.33 3.88 4.78 . . . . . A . 24 CYS SG . . A . 38 CYS SG . . . 24 . SG . . . . . 38 . SG . . rr_1aoo 2
6 1 . . 1 1 14 14 CYS SG S . . . 1 1 38 38 CYS SG S . . . . . 4.33 3.88 4.78 . . . . . A . 14 CYS SG . . A . 38 CYS SG . . . 14 . SG . . . . . 38 . SG . . rr_1aoo 2
7 1 . . 1 1 14 14 CYS SG S . . . 1 1 36 36 CYS SG S . . . . . 4.33 3.88 4.78 . . . . . A . 14 CYS SG . . A . 36 CYS SG . . . 14 . SG . . . . . 36 . SG . . rr_1aoo 2
8 1 . . 1 1 11 11 CYS SG S . . . 1 1 14 14 CYS SG S . . . . . 4.33 3.88 4.78 . . . . . A . 11 CYS SG . . A . 14 CYS SG . . . 11 . SG . . . . . 14 . SG . . rr_1aoo 2
9 1 . . 1 1 11 11 CYS SG S . . . 1 1 30 30 CYS SG S . . . . . 5.00 5.00 5.00 . . . . . A . 11 CYS SG . . A . 30 CYS SG . . . 11 . SG . . . . . 30 . SG . . rr_1aoo 2
10 1 . . 1 1 11 11 CYS SG S . . . 1 1 36 36 CYS SG S . . . . . 4.33 3.88 4.78 . . . . . A . 11 CYS SG . . A . 36 CYS SG . . . 11 . SG . . . . . 36 . SG . . rr_1aoo 2
11 1 . . 1 1 30 30 CYS SG S . . . 1 1 26 26 CYS SG S . . . . . 4.33 3.88 4.78 . . . . . A . 30 CYS SG . . A . 26 CYS SG . . . 30 . SG . . . . . 26 . SG . . rr_1aoo 2
12 1 . . 1 1 36 36 CYS SG S . . . 1 1 30 30 CYS SG S . . . . . 4.33 3.88 4.78 . . . . . A . 36 CYS SG . . A . 30 CYS SG . . . 36 . SG . . . . . 30 . SG . . rr_1aoo 2
13 1 . . 1 1 38 38 CYS SG S . . . 1 1 26 26 CYS SG S . . . . . 4.33 3.88 4.78 . . . . . A . 38 CYS SG . . A . 26 CYS SG . . . 38 . SG . . . . . 26 . SG . . rr_1aoo 2
14 1 . . 1 1 36 36 CYS SG S . . . 1 1 26 26 CYS SG S . . . . . 4.33 3.88 4.78 . . . . . A . 36 CYS SG . . A . 26 CYS SG . . . 36 . SG . . . . . 26 . SG . . rr_1aoo 2
15 1 . . 1 1 24 24 CYS SG S . . . 1 1 26 26 CYS SG S . . . . . 4.33 3.88 4.78 . . . . . A . 24 CYS SG . . A . 26 CYS SG . . . 24 . SG . . . . . 26 . SG . . rr_1aoo 2
stop_
loop_
_Gen_dist_constraint_comment_org.ID
_Gen_dist_constraint_comment_org.Comment_text
_Gen_dist_constraint_comment_org.Comment_begin_line
_Gen_dist_constraint_comment_org.Comment_begin_column
_Gen_dist_constraint_comment_org.Comment_end_line
_Gen_dist_constraint_comment_org.Comment_end_column
_Gen_dist_constraint_comment_org.Entry_ID
_Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID
1 t? 1 75 1 78 rr_1aoo 2
2 t? 9 75 9 78 rr_1aoo 2
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 4 16 1 "Not handling restraint 16, item 1, resonance(s) ' .20.AG' (nmrStar names),' .9.AG' (nmrStar names) not linked" rr_1aoo 2
2 4 17 1 "Not handling restraint 17, item 1, resonance(s) ' .9.AG' (nmrStar names),' .26.AG' (nmrStar names) not linked" rr_1aoo 2
3 4 18 1 "Not handling restraint 18, item 1, resonance(s) ' .38.AG' (nmrStar names),' .26.AG' (nmrStar names) not linked" rr_1aoo 2
4 4 19 1 "Not handling restraint 19, item 1, resonance(s) ' .38.AG' (nmrStar names),' .14.AG' (nmrStar names) not linked" rr_1aoo 2
5 4 20 1 "Not handling restraint 20, item 1, resonance(s) ' .30.AG' (nmrStar names),' .14.AG' (nmrStar names) not linked" rr_1aoo 2
6 4 21 1 "Not handling restraint 21, item 1, resonance(s) ' .30.AG' (nmrStar names),' .36.AG' (nmrStar names) not linked" rr_1aoo 2
7 4 22 1 "Not handling restraint 22, item 1, resonance(s) ' .14.AG' (nmrStar names),' .36.AG' (nmrStar names) not linked" rr_1aoo 2
8 4 23 1 "Not handling restraint 23, item 1, resonance(s) ' .26.AG' (nmrStar names),' .36.AG' (nmrStar names) not linked" rr_1aoo 2
stop_
save_
save_CNS/XPLOR_distance_constraints_7
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_7
_Gen_dist_constraint_list.Entry_ID rr_1aoo
_Gen_dist_constraint_list.ID 4
_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 7
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_1aoo 3
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 1 1 GLN HA H . . . 1 1 2 2 ASN H H . . . . . 1.8 1.8 3.6 . . . . . A . 1 GLN HA . . A . 2 ASN H . . . 1 . HA . . . . . 2 . HN . . rr_1aoo 3
2 1 . . 1 1 2 2 ASN H H . . . 1 1 1 1 GLN H1 H . . . . . 1.8 1.8 4.6 . . . . . A . 2 ASN H . . A . 1 GLN H1 . . . 2 . HN . . . . . 1 . HT* . . rr_1aoo 3
3 1 . . 1 1 2 2 ASN HA H . . . 1 1 3 3 GLU H H . . . . . 1.8 1.8 3.2 . . . . . A . 2 ASN HA . . A . 3 GLU H . . . 2 . HA . . . . . 3 . HN . . rr_1aoo 3
4 1 OR . 1 1 3 3 GLU H H . . . 1 1 2 2 ASN HB2 H . . . . . 1.8 1.8 4.2 . . . . . A . 3 GLU H . . A . 2 ASN HB2 . . . 3 . HN . . . . . 2 . HB# . . rr_1aoo 3
4 2 OR . 1 1 3 3 GLU H H . . . 1 1 2 2 ASN HB3 H . . . . . 1.8 1.8 4.2 . . . . . A . 3 GLU H . . A . 2 ASN HB3 . . . 3 . HN . . . . . 2 . HB# . . rr_1aoo 3
5 1 OR . 1 1 2 2 ASN H H . . . 1 1 2 2 ASN HB2 H . . . . . 1.8 1.8 4.2 . . . . . A . 2 ASN H . . A . 2 ASN HB2 . . . 2 . HN . . . . . 2 . HB# . . rr_1aoo 3
5 2 OR . 1 1 2 2 ASN H H . . . 1 1 2 2 ASN HB3 H . . . . . 1.8 1.8 4.2 . . . . . A . 2 ASN H . . A . 2 ASN HB3 . . . 2 . HN . . . . . 2 . HB# . . rr_1aoo 3
6 1 OR . 1 1 2 2 ASN HB3 H . . . 1 1 2 2 ASN HD22 H . . . . . 1.8 1.8 5.2 . . . . . A . 2 ASN HB3 . . A . 2 ASN HD22 . . . 2 . HB# . . . . . 2 . HD2# . . rr_1aoo 3
6 2 OR . 1 1 2 2 ASN HB2 H . . . 1 1 2 2 ASN HD22 H . . . . . 1.8 1.8 5.2 . . . . . A . 2 ASN HB2 . . A . 2 ASN HD22 . . . 2 . HB# . . . . . 2 . HD2# . . rr_1aoo 3
6 3 OR . 1 1 2 2 ASN HD21 H . . . 1 1 2 2 ASN HB2 H . . . . . 1.8 1.8 5.2 . . . . . A . 2 ASN HD21 . . A . 2 ASN HB2 . . . 2 . HD2# . . . . . 2 . HB# . . rr_1aoo 3
6 4 OR . 1 1 2 2 ASN HB3 H . . . 1 1 2 2 ASN HD21 H . . . . . 1.8 1.8 5.2 . . . . . A . 2 ASN HB3 . . A . 2 ASN HD21 . . . 2 . HB# . . . . . 2 . HD2# . . rr_1aoo 3
7 1 . . 1 1 3 3 GLU HA H . . . 1 1 4 4 GLY H H . . . . . 1.8 1.8 2.7 . . . . . A . 3 GLU HA . . A . 4 GLY H . . . 3 . HA . . . . . 4 . HN . . rr_1aoo 3
8 1 . . 1 1 3 3 GLU HA H . . . 1 1 5 5 HIS HE1 H . . . . . 1.8 1.8 3.6 . . . . . A . 3 GLU HA . . A . 5 HIS HE1 . . . 3 . HA . . . . . 5 . HE1 . . rr_1aoo 3
9 1 . . 1 1 3 3 GLU H H . . . 1 1 4 4 GLY H H . . . . . 1.8 1.8 3.6 . . . . . A . 3 GLU H . . A . 4 GLY H . . . 3 . HN . . . . . 4 . HN . . rr_1aoo 3
10 1 . . 1 1 3 3 GLU HA H . . . 1 1 5 5 HIS HD2 H . . . . . 1.8 1.8 3.6 . . . . . A . 3 GLU HA . . A . 5 HIS HD2 . . . 3 . HA . . . . . 5 . HD2 . . rr_1aoo 3
11 1 OR . 1 1 3 3 GLU H H . . . 1 1 3 3 GLU HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 3 GLU H . . A . 3 GLU HB2 . . . 3 . HN . . . . . 3 . HB# . . rr_1aoo 3
11 2 OR . 1 1 3 3 GLU H H . . . 1 1 3 3 GLU HB3 H . . . . . 1.8 1.8 3.7 . . . . . A . 3 GLU H . . A . 3 GLU HB3 . . . 3 . HN . . . . . 3 . HB# . . rr_1aoo 3
12 1 OR . 1 1 3 3 GLU H H . . . 1 1 3 3 GLU HG2 H . . . . . 1.8 1.8 4.2 . . . . . A . 3 GLU H . . A . 3 GLU HG2 . . . 3 . HN . . . . . 3 . HG# . . rr_1aoo 3
12 2 OR . 1 1 3 3 GLU H H . . . 1 1 3 3 GLU HG3 H . . . . . 1.8 1.8 4.2 . . . . . A . 3 GLU H . . A . 3 GLU HG3 . . . 3 . HN . . . . . 3 . HG# . . rr_1aoo 3
13 1 OR . 1 1 4 4 GLY H H . . . 1 1 3 3 GLU HG2 H . . . . . 1.8 1.8 4.2 . . . . . A . 4 GLY H . . A . 3 GLU HG2 . . . 4 . HN . . . . . 3 . HG# . . rr_1aoo 3
13 2 OR . 1 1 4 4 GLY H H . . . 1 1 3 3 GLU HG3 H . . . . . 1.8 1.8 4.2 . . . . . A . 4 GLY H . . A . 3 GLU HG3 . . . 4 . HN . . . . . 3 . HG# . . rr_1aoo 3
14 1 OR . 1 1 5 5 HIS H H . . . 1 1 4 4 GLY HA2 H . . . . . 1.8 1.8 3.7 . . . . . A . 5 HIS H . . A . 4 GLY HA2 . . . 5 . HN . . . . . 4 . HA# . . rr_1aoo 3
14 2 OR . 1 1 4 4 GLY HA3 H . . . 1 1 5 5 HIS H H . . . . . 1.8 1.8 3.7 . . . . . A . 4 GLY HA3 . . A . 5 HIS H . . . 4 . HA# . . . . . 5 . HN . . rr_1aoo 3
15 1 . . 1 1 5 5 HIS HA H . . . 1 1 6 6 GLU H H . . . . . 1.8 1.8 4.5 . . . . . A . 5 HIS HA . . A . 6 GLU H . . . 5 . HA . . . . . 6 . HN . . rr_1aoo 3
16 1 . . 1 1 5 5 HIS H H . . . 1 1 6 6 GLU H H . . . . . 1.8 1.8 4.5 . . . . . A . 5 HIS H . . A . 6 GLU H . . . 5 . HN . . . . . 6 . HN . . rr_1aoo 3
17 1 OR . 1 1 6 6 GLU H H . . . 1 1 5 5 HIS HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 6 GLU H . . A . 5 HIS HB2 . . . 6 . HN . . . . . 5 . HB# . . rr_1aoo 3
17 2 OR . 1 1 6 6 GLU H H . . . 1 1 5 5 HIS HB3 H . . . . . 1.8 1.8 3.7 . . . . . A . 6 GLU H . . A . 5 HIS HB3 . . . 6 . HN . . . . . 5 . HB# . . rr_1aoo 3
18 1 . . 1 1 5 5 HIS HD2 H . . . 1 1 28 28 THR MG H . . . . . 1.8 1.8 6.0 . . . . . A . 5 HIS HD2 . . A . 28 THR MG . . . 5 . HD2 . . . . . 28 . HG2# . . rr_1aoo 3
19 1 . . 1 1 5 5 HIS HE1 H . . . 1 1 28 28 THR MG H . . . . . 1.8 1.8 6.0 . . . . . A . 5 HIS HE1 . . A . 28 THR MG . . . 5 . HE1 . . . . . 28 . HG2# . . rr_1aoo 3
20 1 . . 1 1 5 5 HIS HE1 H . . . 1 1 26 26 CYS HB2 H . . . . . 1.8 1.8 3.6 . . . . . A . 5 HIS HE1 . . A . 26 CYS HB2 . . . 5 . HE1 . . . . . 26 . HB2 . . rr_1aoo 3
21 1 . . 1 1 5 5 HIS HE1 H . . . 1 1 8 8 GLN H H . . . . . 1.8 1.8 4.5 . . . . . A . 5 HIS HE1 . . A . 8 GLN H . . . 5 . HE1 . . . . . 8 . HN . . rr_1aoo 3
22 1 . . 1 1 5 5 HIS HD2 H . . . 1 1 8 8 GLN H H . . . . . 1.8 1.8 4.5 . . . . . A . 5 HIS HD2 . . A . 8 GLN H . . . 5 . HD2 . . . . . 8 . HN . . rr_1aoo 3
23 1 . . 1 1 5 5 HIS HD2 H . . . 1 1 25 25 SER HA H . . . . . 1.8 1.8 4.5 . . . . . A . 5 HIS HD2 . . A . 25 SER HA . . . 5 . HD2 . . . . . 25 . HA . . rr_1aoo 3
24 1 . . 1 1 5 5 HIS HE1 H . . . 1 1 24 24 CYS HB3 H . . . . . 1.8 1.8 3.6 . . . . . A . 5 HIS HE1 . . A . 24 CYS HB3 . . . 5 . HE1 . . . . . 24 . HB1 . . rr_1aoo 3
25 1 . . 1 1 5 5 HIS HE1 H . . . 1 1 26 26 CYS H H . . . . . 1.8 1.8 4.5 . . . . . A . 5 HIS HE1 . . A . 26 CYS H . . . 5 . HE1 . . . . . 26 . HN . . rr_1aoo 3
26 1 . . 1 1 5 5 HIS H H . . . 1 1 23 23 SER HA H . . . . . 1.8 1.8 4.5 . . . . . A . 5 HIS H . . A . 23 SER HA . . . 5 . HN . . . . . 23 . HA . . rr_1aoo 3
27 1 OR . 1 1 5 5 HIS H H . . . 1 1 5 5 HIS HB2 H . . . . . 1.8 1.8 4.2 . . . . . A . 5 HIS H . . A . 5 HIS HB2 . . . 5 . HN . . . . . 5 . HB# . . rr_1aoo 3
27 2 OR . 1 1 5 5 HIS H H . . . 1 1 5 5 HIS HB3 H . . . . . 1.8 1.8 4.2 . . . . . A . 5 HIS H . . A . 5 HIS HB3 . . . 5 . HN . . . . . 5 . HB# . . rr_1aoo 3
28 1 OR . 1 1 5 5 HIS HD2 H . . . 1 1 5 5 HIS HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 5 HIS HD2 . . A . 5 HIS HB2 . . . 5 . HD2 . . . . . 5 . HB# . . rr_1aoo 3
28 2 OR . 1 1 5 5 HIS HD2 H . . . 1 1 5 5 HIS HB3 H . . . . . 1.8 1.8 3.7 . . . . . A . 5 HIS HD2 . . A . 5 HIS HB3 . . . 5 . HD2 . . . . . 5 . HB# . . rr_1aoo 3
29 1 . . 1 1 6 6 GLU HA H . . . 1 1 7 7 CYS H H . . . . . 1.8 1.8 3.6 . . . . . A . 6 GLU HA . . A . 7 CYS H . . . 6 . HA . . . . . 7 . HN . . rr_1aoo 3
30 1 . . 1 1 6 6 GLU H H . . . 1 1 7 7 CYS H H . . . . . 1.8 1.8 4.5 . . . . . A . 6 GLU H . . A . 7 CYS H . . . 6 . HN . . . . . 7 . HN . . rr_1aoo 3
31 1 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 GLU HB2 H . . . . . 1.8 1.8 4.2 . . . . . A . 7 CYS H . . A . 6 GLU HB2 . . . 7 . HN . . . . . 6 . HB# . . rr_1aoo 3
31 2 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 GLU HB3 H . . . . . 1.8 1.8 4.2 . . . . . A . 7 CYS H . . A . 6 GLU HB3 . . . 7 . HN . . . . . 6 . HB# . . rr_1aoo 3
32 1 OR . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HG2 H . . . . . 1.8 1.8 4.2 . . . . . A . 6 GLU H . . A . 6 GLU HG2 . . . 6 . HN . . . . . 6 . HG# . . rr_1aoo 3
32 2 OR . 1 1 6 6 GLU H H . . . 1 1 6 6 GLU HG3 H . . . . . 1.8 1.8 4.2 . . . . . A . 6 GLU H . . A . 6 GLU HG3 . . . 6 . HN . . . . . 6 . HG# . . rr_1aoo 3
33 1 OR . 1 1 6 6 GLU HB3 H . . . 1 1 8 8 GLN HE22 H . . . . . 1.8 1.8 5.6 . . . . . A . 6 GLU HB3 . . A . 8 GLN HE22 . . . 6 . HB# . . . . . 8 . HE2# . . rr_1aoo 3
33 2 OR . 1 1 6 6 GLU HB2 H . . . 1 1 8 8 GLN HE22 H . . . . . 1.8 1.8 5.6 . . . . . A . 6 GLU HB2 . . A . 8 GLN HE22 . . . 6 . HB# . . . . . 8 . HE2# . . rr_1aoo 3
33 3 OR . 1 1 8 8 GLN HE21 H . . . 1 1 6 6 GLU HB2 H . . . . . 1.8 1.8 5.6 . . . . . A . 8 GLN HE21 . . A . 6 GLU HB2 . . . 8 . HE2# . . . . . 6 . HB# . . rr_1aoo 3
33 4 OR . 1 1 6 6 GLU HB3 H . . . 1 1 8 8 GLN HE21 H . . . . . 1.8 1.8 5.6 . . . . . A . 6 GLU HB3 . . A . 8 GLN HE21 . . . 6 . HB# . . . . . 8 . HE2# . . rr_1aoo 3
34 1 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 GLU HG2 H . . . . . 1.8 1.8 4.6 . . . . . A . 7 CYS H . . A . 6 GLU HG2 . . . 7 . HN . . . . . 6 . HG# . . rr_1aoo 3
34 2 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 GLU HG3 H . . . . . 1.8 1.8 4.6 . . . . . A . 7 CYS H . . A . 6 GLU HG3 . . . 7 . HN . . . . . 6 . HG# . . rr_1aoo 3
35 1 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 GLU HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 7 CYS H . . A . 6 GLU HB2 . . . 7 . HN . . . . . 6 . HB# . . rr_1aoo 3
35 2 OR . 1 1 7 7 CYS H H . . . 1 1 6 6 GLU HB3 H . . . . . 1.8 1.8 3.7 . . . . . A . 7 CYS H . . A . 6 GLU HB3 . . . 7 . HN . . . . . 6 . HB# . . rr_1aoo 3
36 1 . . 1 1 7 7 CYS H H . . . 1 1 21 21 GLN HA H . . . . . 1.8 1.8 4.5 . . . . . A . 7 CYS H . . A . 21 GLN HA . . . 7 . HN . . . . . 21 . HA . . rr_1aoo 3
37 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 CYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 8 GLN H . . A . 7 CYS HA . . . 8 . HN . . . . . 7 . HA . . rr_1aoo 3
38 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 CYS H H . . . . . 1.8 1.8 4.5 . . . . . A . 8 GLN H . . A . 7 CYS H . . . 8 . HN . . . . . 7 . HN . . rr_1aoo 3
39 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 CYS HB3 H . . . . . 1.8 1.8 4.5 . . . . . A . 8 GLN H . . A . 7 CYS HB3 . . . 8 . HN . . . . . 7 . HB1 . . rr_1aoo 3
40 1 . . 1 1 8 8 GLN H H . . . 1 1 7 7 CYS HB2 H . . . . . 1.8 1.8 4.5 . . . . . A . 8 GLN H . . A . 7 CYS HB2 . . . 8 . HN . . . . . 7 . HB2 . . rr_1aoo 3
41 1 . . 1 1 21 21 GLN HA H . . . 1 1 7 7 CYS HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 21 GLN HA . . A . 7 CYS HB3 . . . 21 . HA . . . . . 7 . HB1 . . rr_1aoo 3
42 1 . . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 7 CYS H . . A . 7 CYS HB3 . . . 7 . HN . . . . . 7 . HB1 . . rr_1aoo 3
43 1 . . 1 1 7 7 CYS H H . . . 1 1 7 7 CYS HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 7 CYS H . . A . 7 CYS HB2 . . . 7 . HN . . . . . 7 . HB2 . . rr_1aoo 3
44 1 . . 1 1 8 8 GLN HA H . . . 1 1 9 9 CYS H H . . . . . 1.8 1.8 4.5 . . . . . A . 8 GLN HA . . A . 9 CYS H . . . 8 . HA . . . . . 9 . HN . . rr_1aoo 3
45 1 . . 1 1 8 8 GLN H H . . . 1 1 9 9 CYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 8 GLN H . . A . 9 CYS H . . . 8 . HN . . . . . 9 . HN . . rr_1aoo 3
46 1 OR . 1 1 9 9 CYS H H . . . 1 1 8 8 GLN HB2 H . . . . . 1.8 1.8 4.2 . . . . . A . 9 CYS H . . A . 8 GLN HB2 . . . 9 . HN . . . . . 8 . HB# . . rr_1aoo 3
46 2 OR . 1 1 9 9 CYS H H . . . 1 1 8 8 GLN HB3 H . . . . . 1.8 1.8 4.2 . . . . . A . 9 CYS H . . A . 8 GLN HB3 . . . 9 . HN . . . . . 8 . HB# . . rr_1aoo 3
47 1 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB2 H . . . . . 1.8 1.8 4.2 . . . . . A . 8 GLN H . . A . 8 GLN HB2 . . . 8 . HN . . . . . 8 . HB# . . rr_1aoo 3
47 2 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HB3 H . . . . . 1.8 1.8 4.2 . . . . . A . 8 GLN H . . A . 8 GLN HB3 . . . 8 . HN . . . . . 8 . HB# . . rr_1aoo 3
48 1 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG2 H . . . . . 1.8 1.8 4.2 . . . . . A . 8 GLN H . . A . 8 GLN HG2 . . . 8 . HN . . . . . 8 . HG# . . rr_1aoo 3
48 2 OR . 1 1 8 8 GLN H H . . . 1 1 8 8 GLN HG3 H . . . . . 1.8 1.8 4.2 . . . . . A . 8 GLN H . . A . 8 GLN HG3 . . . 8 . HN . . . . . 8 . HG# . . rr_1aoo 3
49 1 OR . 1 1 8 8 GLN HE21 H . . . 1 1 8 8 GLN HG2 H . . . . . 1.8 1.8 5.2 . . . . . A . 8 GLN HE21 . . A . 8 GLN HG2 . . . 8 . HE2# . . . . . 8 . HG# . . rr_1aoo 3
49 2 OR . 1 1 8 8 GLN HE22 H . . . 1 1 8 8 GLN HG2 H . . . . . 1.8 1.8 5.2 . . . . . A . 8 GLN HE22 . . A . 8 GLN HG2 . . . 8 . HE2# . . . . . 8 . HG# . . rr_1aoo 3
49 3 OR . 1 1 8 8 GLN HG3 H . . . 1 1 8 8 GLN HE22 H . . . . . 1.8 1.8 5.2 . . . . . A . 8 GLN HG3 . . A . 8 GLN HE22 . . . 8 . HG# . . . . . 8 . HE2# . . rr_1aoo 3
49 4 OR . 1 1 8 8 GLN HE21 H . . . 1 1 8 8 GLN HG3 H . . . . . 1.8 1.8 5.2 . . . . . A . 8 GLN HE21 . . A . 8 GLN HG3 . . . 8 . HE2# . . . . . 8 . HG# . . rr_1aoo 3
50 1 OR . 1 1 28 28 THR MG H . . . 1 1 8 8 GLN HE22 H . . . . . 1.8 1.8 5.6 . . . . . A . 28 THR MG . . A . 8 GLN HE22 . . . 28 . HG2# . . . . . 8 . HE2# . . rr_1aoo 3
50 2 OR . 1 1 28 28 THR MG H . . . 1 1 8 8 GLN HE21 H . . . . . 1.8 1.8 5.6 . . . . . A . 28 THR MG . . A . 8 GLN HE21 . . . 28 . HG2# . . . . . 8 . HE2# . . rr_1aoo 3
51 1 . . 1 1 8 8 GLN H H . . . 1 1 9 9 CYS HB2 H . . . . . 1.8 1.8 4.5 . . . . . A . 8 GLN H . . A . 9 CYS HB2 . . . 8 . HN . . . . . 9 . HB2 . . rr_1aoo 3
52 1 . . 1 1 9 9 CYS HA H . . . 1 1 10 10 GLN H H . . . . . 1.8 1.8 3.2 . . . . . A . 9 CYS HA . . A . 10 GLN H . . . 9 . HA . . . . . 10 . HN . . rr_1aoo 3
53 1 . . 1 1 9 9 CYS H H . . . 1 1 14 14 CYS HB2 H . . . . . 1.8 1.8 3.6 . . . . . A . 9 CYS H . . A . 14 CYS HB2 . . . 9 . HN . . . . . 14 . HB2 . . rr_1aoo 3
54 1 . . 1 1 9 9 CYS H H . . . 1 1 14 14 CYS HB3 H . . . . . 1.8 1.8 4.5 . . . . . A . 9 CYS H . . A . 14 CYS HB3 . . . 9 . HN . . . . . 14 . HB1 . . rr_1aoo 3
55 1 . . 1 1 9 9 CYS HB2 H . . . 1 1 14 14 CYS HB3 H . . . . . 1.8 1.8 3.6 . . . . . A . 9 CYS HB2 . . A . 14 CYS HB3 . . . 9 . HB2 . . . . . 14 . HB1 . . rr_1aoo 3
56 1 . . 1 1 9 9 CYS HB2 H . . . 1 1 14 14 CYS HB2 H . . . . . 1.8 1.8 3.2 . . . . . A . 9 CYS HB2 . . A . 14 CYS HB2 . . . 9 . HB2 . . . . . 14 . HB2 . . rr_1aoo 3
57 1 . . 1 1 9 9 CYS H H . . . 1 1 9 9 CYS HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 9 CYS H . . A . 9 CYS HB2 . . . 9 . HN . . . . . 9 . HB2 . . rr_1aoo 3
58 1 . . 1 1 9 9 CYS H H . . . 1 1 9 9 CYS HB3 H . . . . . 1.8 1.8 3.6 . . . . . A . 9 CYS H . . A . 9 CYS HB3 . . . 9 . HN . . . . . 9 . HB1 . . rr_1aoo 3
59 1 . . 1 1 10 10 GLN HA H . . . 1 1 11 11 CYS H H . . . . . 1.8 1.8 3.2 . . . . . A . 10 GLN HA . . A . 11 CYS H . . . 10 . HA . . . . . 11 . HN . . rr_1aoo 3
60 1 OR . 1 1 10 10 GLN HE21 H . . . 1 1 10 10 GLN HG2 H . . . . . 1.8 1.8 5.2 . . . . . A . 10 GLN HE21 . . A . 10 GLN HG2 . . . 10 . HE2# . . . . . 10 . HG# . . rr_1aoo 3
60 2 OR . 1 1 10 10 GLN HG3 H . . . 1 1 10 10 GLN HE22 H . . . . . 1.8 1.8 5.2 . . . . . A . 10 GLN HG3 . . A . 10 GLN HE22 . . . 10 . HG# . . . . . 10 . HE2# . . rr_1aoo 3
60 3 OR . 1 1 10 10 GLN HE21 H . . . 1 1 10 10 GLN HG3 H . . . . . 1.8 1.8 5.2 . . . . . A . 10 GLN HE21 . . A . 10 GLN HG3 . . . 10 . HE2# . . . . . 10 . HG# . . rr_1aoo 3
60 4 OR . 1 1 10 10 GLN HE22 H . . . 1 1 10 10 GLN HG2 H . . . . . 1.8 1.8 5.2 . . . . . A . 10 GLN HE22 . . A . 10 GLN HG2 . . . 10 . HE2# . . . . . 10 . HG# . . rr_1aoo 3
61 1 OR . 1 1 10 10 GLN H H . . . 1 1 10 10 GLN HB2 H . . . . . 1.8 1.8 4.2 . . . . . A . 10 GLN H . . A . 10 GLN HB2 . . . 10 . HN . . . . . 10 . HB# . . rr_1aoo 3
61 2 OR . 1 1 10 10 GLN H H . . . 1 1 10 10 GLN HB3 H . . . . . 1.8 1.8 4.2 . . . . . A . 10 GLN H . . A . 10 GLN HB3 . . . 10 . HN . . . . . 10 . HB# . . rr_1aoo 3
62 1 OR . 1 1 10 10 GLN H H . . . 1 1 10 10 GLN HG2 H . . . . . 1.8 1.8 4.2 . . . . . A . 10 GLN H . . A . 10 GLN HG2 . . . 10 . HN . . . . . 10 . HG# . . rr_1aoo 3
62 2 OR . 1 1 10 10 GLN H H . . . 1 1 10 10 GLN HG3 H . . . . . 1.8 1.8 4.2 . . . . . A . 10 GLN H . . A . 10 GLN HG3 . . . 10 . HN . . . . . 10 . HG# . . rr_1aoo 3
63 1 OR . 1 1 10 10 GLN HA H . . . 1 1 10 10 GLN HE22 H . . . . . 1.8 1.8 5.5 . . . . . A . 10 GLN HA . . A . 10 GLN HE22 . . . 10 . HA . . . . . 10 . HE2# . . rr_1aoo 3
63 2 OR . 1 1 10 10 GLN HA H . . . 1 1 10 10 GLN HE21 H . . . . . 1.8 1.8 5.5 . . . . . A . 10 GLN HA . . A . 10 GLN HE21 . . . 10 . HA . . . . . 10 . HE2# . . rr_1aoo 3
64 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB3 H . . . . . 1.8 1.8 3.2 . . . . . A . 11 CYS H . . A . 11 CYS HB3 . . . 11 . HN . . . . . 11 . HB1 . . rr_1aoo 3
65 1 . . 1 1 11 11 CYS H H . . . 1 1 11 11 CYS HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 11 CYS H . . A . 11 CYS HB2 . . . 11 . HN . . . . . 11 . HB2 . . rr_1aoo 3
66 1 . . 1 1 11 11 CYS HA H . . . 1 1 12 12 GLY H H . . . . . 1.8 1.8 2.7 . . . . . A . 11 CYS HA . . A . 12 GLY H . . . 11 . HA . . . . . 12 . HN . . rr_1aoo 3
67 1 . . 1 1 11 11 CYS HA H . . . 1 1 13 13 SER H H . . . . . 1.8 1.8 4.5 . . . . . A . 11 CYS HA . . A . 13 SER H . . . 11 . HA . . . . . 13 . HN . . rr_1aoo 3
68 1 . . 1 1 11 11 CYS H H . . . 1 1 12 12 GLY H H . . . . . 1.8 1.8 4.5 . . . . . A . 11 CYS H . . A . 12 GLY H . . . 11 . HN . . . . . 12 . HN . . rr_1aoo 3
69 1 . . 1 1 11 11 CYS HB2 H . . . 1 1 12 12 GLY H H . . . . . 1.8 1.8 3.2 . . . . . A . 11 CYS HB2 . . A . 12 GLY H . . . 11 . HB2 . . . . . 12 . HN . . rr_1aoo 3
70 1 . . 1 1 11 11 CYS HB2 H . . . 1 1 13 13 SER H H . . . . . 1.8 1.8 4.5 . . . . . A . 11 CYS HB2 . . A . 13 SER H . . . 11 . HB2 . . . . . 13 . HN . . rr_1aoo 3
71 1 . . 1 1 11 11 CYS HB2 H . . . 1 1 14 14 CYS H H . . . . . 1.8 1.8 4.5 . . . . . A . 11 CYS HB2 . . A . 14 CYS H . . . 11 . HB2 . . . . . 14 . HN . . rr_1aoo 3
72 1 OR . 1 1 13 13 SER H H . . . 1 1 12 12 GLY HA2 H . . . . . 1.8 1.8 4.2 . . . . . A . 13 SER H . . A . 12 GLY HA2 . . . 13 . HN . . . . . 12 . HA# . . rr_1aoo 3
72 2 OR . 1 1 13 13 SER H H . . . 1 1 12 12 GLY HA3 H . . . . . 1.8 1.8 4.2 . . . . . A . 13 SER H . . A . 12 GLY HA3 . . . 13 . HN . . . . . 12 . HA# . . rr_1aoo 3
73 1 OR . 1 1 14 14 CYS H H . . . 1 1 12 12 GLY HA2 H . . . . . 1.8 1.8 4.6 . . . . . A . 14 CYS H . . A . 12 GLY HA2 . . . 14 . HN . . . . . 12 . HA# . . rr_1aoo 3
73 2 OR . 1 1 14 14 CYS H H . . . 1 1 12 12 GLY HA3 H . . . . . 1.8 1.8 4.6 . . . . . A . 14 CYS H . . A . 12 GLY HA3 . . . 14 . HN . . . . . 12 . HA# . . rr_1aoo 3
74 1 . . 1 1 12 12 GLY H H . . . 1 1 13 13 SER H H . . . . . 1.8 1.8 3.2 . . . . . A . 12 GLY H . . A . 13 SER H . . . 12 . HN . . . . . 13 . HN . . rr_1aoo 3
75 1 . . 1 1 12 12 GLY H H . . . 1 1 14 14 CYS H H . . . . . 1.8 1.8 4.5 . . . . . A . 12 GLY H . . A . 14 CYS H . . . 12 . HN . . . . . 14 . HN . . rr_1aoo 3
76 1 OR . 1 1 12 12 GLY H H . . . 1 1 15 15 LYS HD2 H . . . . . 1.8 1.8 5.5 . . . . . A . 12 GLY H . . A . 15 LYS HD2 . . . 12 . HN . . . . . 15 . HD# . . rr_1aoo 3
76 2 OR . 1 1 12 12 GLY H H . . . 1 1 15 15 LYS HD3 H . . . . . 1.8 1.8 5.5 . . . . . A . 12 GLY H . . A . 15 LYS HD3 . . . 12 . HN . . . . . 15 . HD# . . rr_1aoo 3
77 1 OR . 1 1 12 12 GLY H H . . . 1 1 15 15 LYS HG2 H . . . . . 1.8 1.8 5.5 . . . . . A . 12 GLY H . . A . 15 LYS HG2 . . . 12 . HN . . . . . 15 . HG# . . rr_1aoo 3
77 2 OR . 1 1 12 12 GLY H H . . . 1 1 15 15 LYS HG3 H . . . . . 1.8 1.8 5.5 . . . . . A . 12 GLY H . . A . 15 LYS HG3 . . . 12 . HN . . . . . 15 . HG# . . rr_1aoo 3
78 1 OR . 1 1 12 12 GLY H H . . . 1 1 15 15 LYS HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 12 GLY H . . A . 15 LYS HB2 . . . 12 . HN . . . . . 15 . HB# . . rr_1aoo 3
78 2 OR . 1 1 12 12 GLY H H . . . 1 1 15 15 LYS HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 12 GLY H . . A . 15 LYS HB3 . . . 12 . HN . . . . . 15 . HB# . . rr_1aoo 3
79 1 . . 1 1 14 14 CYS H H . . . 1 1 13 13 SER HA H . . . . . 1.8 1.8 3.6 . . . . . A . 14 CYS H . . A . 13 SER HA . . . 14 . HN . . . . . 13 . HA . . rr_1aoo 3
80 1 . . 1 1 13 13 SER H H . . . 1 1 14 14 CYS H H . . . . . 1.8 1.8 3.2 . . . . . A . 13 SER H . . A . 14 CYS H . . . 13 . HN . . . . . 14 . HN . . rr_1aoo 3
81 1 . . 1 1 13 13 SER H H . . . 1 1 15 15 LYS H H . . . . . 1.8 1.8 4.5 . . . . . A . 13 SER H . . A . 15 LYS H . . . 13 . HN . . . . . 15 . HN . . rr_1aoo 3
82 1 OR . 1 1 14 14 CYS H H . . . 1 1 13 13 SER HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 14 CYS H . . A . 13 SER HB2 . . . 14 . HN . . . . . 13 . HB# . . rr_1aoo 3
82 2 OR . 1 1 14 14 CYS H H . . . 1 1 13 13 SER HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 14 CYS H . . A . 13 SER HB3 . . . 14 . HN . . . . . 13 . HB# . . rr_1aoo 3
83 1 . . 1 1 14 14 CYS HA H . . . 1 1 16 16 ASN H H . . . . . 1.8 1.8 4.5 . . . . . A . 14 CYS HA . . A . 16 ASN H . . . 14 . HA . . . . . 16 . HN . . rr_1aoo 3
84 1 . . 1 1 14 14 CYS H H . . . 1 1 15 15 LYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 14 CYS H . . A . 15 LYS H . . . 14 . HN . . . . . 15 . HN . . rr_1aoo 3
85 1 . . 1 1 14 14 CYS HB3 H . . . 1 1 15 15 LYS H H . . . . . 1.8 1.8 3.2 . . . . . A . 14 CYS HB3 . . A . 15 LYS H . . . 14 . HB1 . . . . . 15 . HN . . rr_1aoo 3
86 1 . . 1 1 14 14 CYS HB2 H . . . 1 1 15 15 LYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 14 CYS HB2 . . A . 15 LYS H . . . 14 . HB2 . . . . . 15 . HN . . rr_1aoo 3
87 1 . . 1 1 14 14 CYS HB3 H . . . 1 1 14 14 CYS H H . . . . . 1.8 1.8 3.2 . . . . . A . 14 CYS HB3 . . A . 14 CYS H . . . 14 . HB1 . . . . . 14 . HN . . rr_1aoo 3
88 1 . . 1 1 14 14 CYS HB2 H . . . 1 1 14 14 CYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 14 CYS HB2 . . A . 14 CYS H . . . 14 . HB2 . . . . . 14 . HN . . rr_1aoo 3
89 1 . . 1 1 16 16 ASN H H . . . 1 1 15 15 LYS HA H . . . . . 1.8 1.8 4.5 . . . . . A . 16 ASN H . . A . 15 LYS HA . . . 16 . HN . . . . . 15 . HA . . rr_1aoo 3
90 1 . . 1 1 15 15 LYS H H . . . 1 1 16 16 ASN H H . . . . . 1.8 1.8 4.5 . . . . . A . 15 LYS H . . A . 16 ASN H . . . 15 . HN . . . . . 16 . HN . . rr_1aoo 3
91 1 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 15 LYS H . . A . 15 LYS HB2 . . . 15 . HN . . . . . 15 . HB# . . rr_1aoo 3
91 2 OR . 1 1 15 15 LYS HB3 H . . . 1 1 15 15 LYS H H . . . . . 1.8 1.8 3.7 . . . . . A . 15 LYS HB3 . . A . 15 LYS H . . . 15 . HB# . . . . . 15 . HN . . rr_1aoo 3
92 1 OR . 1 1 15 15 LYS H H . . . 1 1 15 15 LYS HG2 H . . . . . 1.8 1.8 3.7 . . . . . A . 15 LYS H . . A . 15 LYS HG2 . . . 15 . HN . . . . . 15 . HG# . . rr_1aoo 3
92 2 OR . 1 1 15 15 LYS HG3 H . . . 1 1 15 15 LYS H H . . . . . 1.8 1.8 3.7 . . . . . A . 15 LYS HG3 . . A . 15 LYS H . . . 15 . HG# . . . . . 15 . HN . . rr_1aoo 3
93 1 OR . 1 1 15 15 LYS HE3 H . . . 1 1 16 16 ASN HD22 H . . . . . 1.8 1.8 5.2 . . . . . A . 15 LYS HE3 . . A . 16 ASN HD22 . . . 15 . HE# . . . . . 16 . HD2# . . rr_1aoo 3
93 2 OR . 1 1 16 16 ASN HD21 H . . . 1 1 15 15 LYS HE2 H . . . . . 1.8 1.8 5.2 . . . . . A . 16 ASN HD21 . . A . 15 LYS HE2 . . . 16 . HD2# . . . . . 15 . HE# . . rr_1aoo 3
93 3 OR . 1 1 15 15 LYS HE3 H . . . 1 1 16 16 ASN HD21 H . . . . . 1.8 1.8 5.2 . . . . . A . 15 LYS HE3 . . A . 16 ASN HD21 . . . 15 . HE# . . . . . 16 . HD2# . . rr_1aoo 3
93 4 OR . 1 1 15 15 LYS HE2 H . . . 1 1 16 16 ASN HD22 H . . . . . 1.8 1.8 5.2 . . . . . A . 15 LYS HE2 . . A . 16 ASN HD22 . . . 15 . HE# . . . . . 16 . HD2# . . rr_1aoo 3
94 1 OR . 1 1 15 15 LYS HG2 H . . . 1 1 16 16 ASN HD22 H . . . . . 1.8 1.8 6.5 . . . . . A . 15 LYS HG2 . . A . 16 ASN HD22 . . . 15 . HG# . . . . . 16 . HD2# . . rr_1aoo 3
94 2 OR . 1 1 15 15 LYS HG3 H . . . 1 1 16 16 ASN HD22 H . . . . . 1.8 1.8 6.5 . . . . . A . 15 LYS HG3 . . A . 16 ASN HD22 . . . 15 . HG# . . . . . 16 . HD2# . . rr_1aoo 3
94 3 OR . 1 1 16 16 ASN HD21 H . . . 1 1 15 15 LYS HG2 H . . . . . 1.8 1.8 6.5 . . . . . A . 16 ASN HD21 . . A . 15 LYS HG2 . . . 16 . HD2# . . . . . 15 . HG# . . rr_1aoo 3
94 4 OR . 1 1 15 15 LYS HG3 H . . . 1 1 16 16 ASN HD21 H . . . . . 1.8 1.8 6.5 . . . . . A . 15 LYS HG3 . . A . 16 ASN HD21 . . . 15 . HG# . . . . . 16 . HD2# . . rr_1aoo 3
95 1 . . 1 1 17 17 ASN HA H . . . 1 1 18 18 GLU H H . . . . . 1.8 1.8 2.7 . . . . . A . 17 ASN HA . . A . 18 GLU H . . . 17 . HA . . . . . 18 . HN . . rr_1aoo 3
96 1 . . 1 1 17 17 ASN HA H . . . 1 1 19 19 GLN H H . . . . . 1.8 1.8 3.2 . . . . . A . 17 ASN HA . . A . 19 GLN H . . . 17 . HA . . . . . 19 . HN . . rr_1aoo 3
97 1 . . 1 1 18 18 GLU H H . . . 1 1 17 17 ASN H H . . . . . 1.8 1.8 4.5 . . . . . A . 18 GLU H . . A . 17 ASN H . . . 18 . HN . . . . . 17 . HN . . rr_1aoo 3
98 1 OR . 1 1 18 18 GLU H H . . . 1 1 17 17 ASN HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 18 GLU H . . A . 17 ASN HB2 . . . 18 . HN . . . . . 17 . HB# . . rr_1aoo 3
98 2 OR . 1 1 18 18 GLU H H . . . 1 1 17 17 ASN HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 18 GLU H . . A . 17 ASN HB3 . . . 18 . HN . . . . . 17 . HB# . . rr_1aoo 3
99 1 OR . 1 1 16 16 ASN HB2 H . . . 1 1 16 16 ASN HD22 H . . . . . 1.8 1.8 4.7 . . . . . A . 16 ASN HB2 . . A . 16 ASN HD22 . . . 16 . HB# . . . . . 16 . HD2# . . rr_1aoo 3
99 2 OR . 1 1 16 16 ASN HB3 H . . . 1 1 16 16 ASN HD22 H . . . . . 1.8 1.8 4.7 . . . . . A . 16 ASN HB3 . . A . 16 ASN HD22 . . . 16 . HB# . . . . . 16 . HD2# . . rr_1aoo 3
99 3 OR . 1 1 16 16 ASN HD21 H . . . 1 1 16 16 ASN HB2 H . . . . . 1.8 1.8 4.7 . . . . . A . 16 ASN HD21 . . A . 16 ASN HB2 . . . 16 . HD2# . . . . . 16 . HB# . . rr_1aoo 3
99 4 OR . 1 1 16 16 ASN HD21 H . . . 1 1 16 16 ASN HB3 H . . . . . 1.8 1.8 4.7 . . . . . A . 16 ASN HD21 . . A . 16 ASN HB3 . . . 16 . HD2# . . . . . 16 . HB# . . rr_1aoo 3
100 1 . . 1 1 19 19 GLN H H . . . 1 1 18 18 GLU HA H . . . . . 1.8 1.8 3.2 . . . . . A . 19 GLN H . . A . 18 GLU HA . . . 19 . HN . . . . . 18 . HA . . rr_1aoo 3
101 1 . . 1 1 18 18 GLU HA H . . . 1 1 20 20 CYS H H . . . . . 1.8 1.8 4.5 . . . . . A . 18 GLU HA . . A . 20 CYS H . . . 18 . HA . . . . . 20 . HN . . rr_1aoo 3
102 1 . . 1 1 18 18 GLU HA H . . . 1 1 21 21 GLN H H . . . . . 1.8 1.8 3.2 . . . . . A . 18 GLU HA . . A . 21 GLN H . . . 18 . HA . . . . . 21 . HN . . rr_1aoo 3
103 1 . . 1 1 18 18 GLU H H . . . 1 1 19 19 GLN H H . . . . . 1.8 1.8 3.2 . . . . . A . 18 GLU H . . A . 19 GLN H . . . 18 . HN . . . . . 19 . HN . . rr_1aoo 3
104 1 OR . 1 1 18 18 GLU H H . . . 1 1 18 18 GLU HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 18 GLU H . . A . 18 GLU HB2 . . . 18 . HN . . . . . 18 . HB# . . rr_1aoo 3
104 2 OR . 1 1 18 18 GLU H H . . . 1 1 18 18 GLU HB3 H . . . . . 1.8 1.8 3.7 . . . . . A . 18 GLU H . . A . 18 GLU HB3 . . . 18 . HN . . . . . 18 . HB# . . rr_1aoo 3
105 1 OR . 1 1 18 18 GLU H H . . . 1 1 18 18 GLU HG2 H . . . . . 1.8 1.8 3.7 . . . . . A . 18 GLU H . . A . 18 GLU HG2 . . . 18 . HN . . . . . 18 . HG# . . rr_1aoo 3
105 2 OR . 1 1 18 18 GLU H H . . . 1 1 18 18 GLU HG3 H . . . . . 1.8 1.8 3.7 . . . . . A . 18 GLU H . . A . 18 GLU HG3 . . . 18 . HN . . . . . 18 . HG# . . rr_1aoo 3
106 1 OR . 1 1 18 18 GLU HA H . . . 1 1 21 21 GLN HG2 H . . . . . 1.8 1.8 3.7 . . . . . A . 18 GLU HA . . A . 21 GLN HG2 . . . 18 . HA . . . . . 21 . HG# . . rr_1aoo 3
106 2 OR . 1 1 18 18 GLU HA H . . . 1 1 21 21 GLN HG3 H . . . . . 1.8 1.8 3.7 . . . . . A . 18 GLU HA . . A . 21 GLN HG3 . . . 18 . HA . . . . . 21 . HG# . . rr_1aoo 3
107 1 . . 1 1 20 20 CYS H H . . . 1 1 19 19 GLN HA H . . . . . 1.8 1.8 3.2 . . . . . A . 20 CYS H . . A . 19 GLN HA . . . 20 . HN . . . . . 19 . HA . . rr_1aoo 3
108 1 . . 1 1 19 19 GLN H H . . . 1 1 20 20 CYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 19 GLN H . . A . 20 CYS H . . . 19 . HN . . . . . 20 . HN . . rr_1aoo 3
109 1 . . 1 1 19 19 GLN H H . . . 1 1 21 21 GLN H H . . . . . 1.8 1.8 4.5 . . . . . A . 19 GLN H . . A . 21 GLN H . . . 19 . HN . . . . . 21 . HN . . rr_1aoo 3
110 1 OR . 1 1 20 20 CYS H H . . . 1 1 19 19 GLN HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 20 CYS H . . A . 19 GLN HB2 . . . 20 . HN . . . . . 19 . HB# . . rr_1aoo 3
110 2 OR . 1 1 20 20 CYS H H . . . 1 1 19 19 GLN HB3 H . . . . . 1.8 1.8 3.7 . . . . . A . 20 CYS H . . A . 19 GLN HB3 . . . 20 . HN . . . . . 19 . HB# . . rr_1aoo 3
111 1 OR . 1 1 19 19 GLN HE21 H . . . 1 1 19 19 GLN HG2 H . . . . . 1.8 1.8 4.7 . . . . . A . 19 GLN HE21 . . A . 19 GLN HG2 . . . 19 . HE2# . . . . . 19 . HG# . . rr_1aoo 3
111 2 OR . 1 1 19 19 GLN HE22 H . . . 1 1 19 19 GLN HG2 H . . . . . 1.8 1.8 4.7 . . . . . A . 19 GLN HE22 . . A . 19 GLN HG2 . . . 19 . HE2# . . . . . 19 . HG# . . rr_1aoo 3
111 3 OR . 1 1 19 19 GLN HG3 H . . . 1 1 19 19 GLN HE22 H . . . . . 1.8 1.8 4.7 . . . . . A . 19 GLN HG3 . . A . 19 GLN HE22 . . . 19 . HG# . . . . . 19 . HE2# . . rr_1aoo 3
111 4 OR . 1 1 19 19 GLN HE21 H . . . 1 1 19 19 GLN HG3 H . . . . . 1.8 1.8 4.7 . . . . . A . 19 GLN HE21 . . A . 19 GLN HG3 . . . 19 . HE2# . . . . . 19 . HG# . . rr_1aoo 3
112 1 OR . 1 1 19 19 GLN H H . . . 1 1 19 19 GLN HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 19 GLN H . . A . 19 GLN HB2 . . . 19 . HN . . . . . 19 . HB# . . rr_1aoo 3
112 2 OR . 1 1 19 19 GLN H H . . . 1 1 19 19 GLN HB3 H . . . . . 1.8 1.8 3.7 . . . . . A . 19 GLN H . . A . 19 GLN HB3 . . . 19 . HN . . . . . 19 . HB# . . rr_1aoo 3
113 1 OR . 1 1 19 19 GLN H H . . . 1 1 19 19 GLN HG2 H . . . . . 1.8 1.8 4.2 . . . . . A . 19 GLN H . . A . 19 GLN HG2 . . . 19 . HN . . . . . 19 . HG# . . rr_1aoo 3
113 2 OR . 1 1 19 19 GLN H H . . . 1 1 19 19 GLN HG3 H . . . . . 1.8 1.8 4.2 . . . . . A . 19 GLN H . . A . 19 GLN HG3 . . . 19 . HN . . . . . 19 . HG# . . rr_1aoo 3
114 1 . . 1 1 21 21 GLN H H . . . 1 1 20 20 CYS HA H . . . . . 1.8 1.8 4.5 . . . . . A . 21 GLN H . . A . 20 CYS HA . . . 21 . HN . . . . . 20 . HA . . rr_1aoo 3
115 1 . . 1 1 20 20 CYS HA H . . . 1 1 23 23 SER H H . . . . . 1.8 1.8 4.5 . . . . . A . 20 CYS HA . . A . 23 SER H . . . 20 . HA . . . . . 23 . HN . . rr_1aoo 3
116 1 . . 1 1 20 20 CYS H H . . . 1 1 21 21 GLN H H . . . . . 1.8 1.8 3.2 . . . . . A . 20 CYS H . . A . 21 GLN H . . . 20 . HN . . . . . 21 . HN . . rr_1aoo 3
117 1 . . 1 1 20 20 CYS H H . . . 1 1 22 22 LYS H H . . . . . 1.8 1.8 4.5 . . . . . A . 20 CYS H . . A . 22 LYS H . . . 20 . HN . . . . . 22 . HN . . rr_1aoo 3
118 1 . . 1 1 20 20 CYS H H . . . 1 1 20 20 CYS HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 20 CYS H . . A . 20 CYS HB3 . . . 20 . HN . . . . . 20 . HB1 . . rr_1aoo 3
119 1 . . 1 1 20 20 CYS H H . . . 1 1 20 20 CYS HB2 H . . . . . 1.8 1.8 3.6 . . . . . A . 20 CYS H . . A . 20 CYS HB2 . . . 20 . HN . . . . . 20 . HB2 . . rr_1aoo 3
120 1 . . 1 1 21 21 GLN HA H . . . 1 1 22 22 LYS H H . . . . . 1.8 1.8 3.6 . . . . . A . 21 GLN HA . . A . 22 LYS H . . . 21 . HA . . . . . 22 . HN . . rr_1aoo 3
121 1 . . 1 1 21 21 GLN H H . . . 1 1 22 22 LYS H H . . . . . 1.8 1.8 3.2 . . . . . A . 21 GLN H . . A . 22 LYS H . . . 21 . HN . . . . . 22 . HN . . rr_1aoo 3
122 1 OR . 1 1 22 22 LYS H H . . . 1 1 21 21 GLN HB2 H . . . . . 1.8 1.8 4.2 . . . . . A . 22 LYS H . . A . 21 GLN HB2 . . . 22 . HN . . . . . 21 . HB# . . rr_1aoo 3
122 2 OR . 1 1 22 22 LYS H H . . . 1 1 21 21 GLN HB3 H . . . . . 1.8 1.8 4.2 . . . . . A . 22 LYS H . . A . 21 GLN HB3 . . . 22 . HN . . . . . 21 . HB# . . rr_1aoo 3
123 1 OR . 1 1 21 21 GLN HE21 H . . . 1 1 21 21 GLN HG2 H . . . . . 1.8 1.8 5.2 . . . . . A . 21 GLN HE21 . . A . 21 GLN HG2 . . . 21 . HE2# . . . . . 21 . HG# . . rr_1aoo 3
123 2 OR . 1 1 21 21 GLN HE22 H . . . 1 1 21 21 GLN HG2 H . . . . . 1.8 1.8 5.2 . . . . . A . 21 GLN HE22 . . A . 21 GLN HG2 . . . 21 . HE2# . . . . . 21 . HG# . . rr_1aoo 3
123 3 OR . 1 1 21 21 GLN HG3 H . . . 1 1 21 21 GLN HE22 H . . . . . 1.8 1.8 5.2 . . . . . A . 21 GLN HG3 . . A . 21 GLN HE22 . . . 21 . HG# . . . . . 21 . HE2# . . rr_1aoo 3
123 4 OR . 1 1 21 21 GLN HG3 H . . . 1 1 21 21 GLN HE21 H . . . . . 1.8 1.8 5.2 . . . . . A . 21 GLN HG3 . . A . 21 GLN HE21 . . . 21 . HG# . . . . . 21 . HE2# . . rr_1aoo 3
124 1 OR . 1 1 21 21 GLN HA H . . . 1 1 21 21 GLN HE22 H . . . . . 1.8 1.8 5.5 . . . . . A . 21 GLN HA . . A . 21 GLN HE22 . . . 21 . HA . . . . . 21 . HE2# . . rr_1aoo 3
124 2 OR . 1 1 21 21 GLN HA H . . . 1 1 21 21 GLN HE21 H . . . . . 1.8 1.8 5.5 . . . . . A . 21 GLN HA . . A . 21 GLN HE21 . . . 21 . HA . . . . . 21 . HE2# . . rr_1aoo 3
125 1 OR . 1 1 21 21 GLN H H . . . 1 1 22 22 LYS HD2 H . . . . . 1.8 1.8 5.5 . . . . . A . 21 GLN H . . A . 22 LYS HD2 . . . 21 . HN . . . . . 22 . HD# . . rr_1aoo 3
125 2 OR . 1 1 21 21 GLN H H . . . 1 1 22 22 LYS HD3 H . . . . . 1.8 1.8 5.5 . . . . . A . 21 GLN H . . A . 22 LYS HD3 . . . 21 . HN . . . . . 22 . HD# . . rr_1aoo 3
126 1 OR . 1 1 21 21 GLN H H . . . 1 1 21 21 GLN HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 21 GLN H . . A . 21 GLN HB2 . . . 21 . HN . . . . . 21 . HB# . . rr_1aoo 3
126 2 OR . 1 1 21 21 GLN H H . . . 1 1 21 21 GLN HB3 H . . . . . 1.8 1.8 3.7 . . . . . A . 21 GLN H . . A . 21 GLN HB3 . . . 21 . HN . . . . . 21 . HB# . . rr_1aoo 3
127 1 OR . 1 1 21 21 GLN H H . . . 1 1 21 21 GLN HG2 H . . . . . 1.8 1.8 3.7 . . . . . A . 21 GLN H . . A . 21 GLN HG2 . . . 21 . HN . . . . . 21 . HG# . . rr_1aoo 3
127 2 OR . 1 1 21 21 GLN H H . . . 1 1 21 21 GLN HG3 H . . . . . 1.8 1.8 3.7 . . . . . A . 21 GLN H . . A . 21 GLN HG3 . . . 21 . HN . . . . . 21 . HG# . . rr_1aoo 3
128 1 . . 1 1 23 23 SER H H . . . 1 1 22 22 LYS HA H . . . . . 1.8 1.8 3.2 . . . . . A . 23 SER H . . A . 22 LYS HA . . . 23 . HN . . . . . 22 . HA . . rr_1aoo 3
129 1 . . 1 1 23 23 SER H H . . . 1 1 22 22 LYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 23 SER H . . A . 22 LYS H . . . 23 . HN . . . . . 22 . HN . . rr_1aoo 3
130 1 OR . 1 1 23 23 SER H H . . . 1 1 22 22 LYS HB2 H . . . . . 1.8 1.8 4.2 . . . . . A . 23 SER H . . A . 22 LYS HB2 . . . 23 . HN . . . . . 22 . HB# . . rr_1aoo 3
130 2 OR . 1 1 23 23 SER H H . . . 1 1 22 22 LYS HB3 H . . . . . 1.8 1.8 4.2 . . . . . A . 23 SER H . . A . 22 LYS HB3 . . . 23 . HN . . . . . 22 . HB# . . rr_1aoo 3
131 1 OR . 1 1 22 22 LYS H H . . . 1 1 22 22 LYS HB2 H . . . . . 1.8 1.8 4.2 . . . . . A . 22 LYS H . . A . 22 LYS HB2 . . . 22 . HN . . . . . 22 . HB# . . rr_1aoo 3
131 2 OR . 1 1 22 22 LYS H H . . . 1 1 22 22 LYS HB3 H . . . . . 1.8 1.8 4.2 . . . . . A . 22 LYS H . . A . 22 LYS HB3 . . . 22 . HN . . . . . 22 . HB# . . rr_1aoo 3
132 1 OR . 1 1 22 22 LYS H H . . . 1 1 22 22 LYS HG2 H . . . . . 1.8 1.8 3.7 . . . . . A . 22 LYS H . . A . 22 LYS HG2 . . . 22 . HN . . . . . 22 . HG# . . rr_1aoo 3
132 2 OR . 1 1 22 22 LYS H H . . . 1 1 22 22 LYS HG3 H . . . . . 1.8 1.8 3.7 . . . . . A . 22 LYS H . . A . 22 LYS HG3 . . . 22 . HN . . . . . 22 . HG# . . rr_1aoo 3
133 1 . . 1 1 23 23 SER HA H . . . 1 1 24 24 CYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 23 SER HA . . A . 24 CYS H . . . 23 . HA . . . . . 24 . HN . . rr_1aoo 3
134 1 . . 1 1 23 23 SER H H . . . 1 1 24 24 CYS H H . . . . . 1.8 1.8 3.6 . . . . . A . 23 SER H . . A . 24 CYS H . . . 23 . HN . . . . . 24 . HN . . rr_1aoo 3
135 1 OR . 1 1 24 24 CYS H H . . . 1 1 23 23 SER HB2 H . . . . . 1.8 1.8 4.6 . . . . . A . 24 CYS H . . A . 23 SER HB2 . . . 24 . HN . . . . . 23 . HB# . . rr_1aoo 3
135 2 OR . 1 1 24 24 CYS H H . . . 1 1 23 23 SER HB3 H . . . . . 1.8 1.8 4.6 . . . . . A . 24 CYS H . . A . 23 SER HB3 . . . 24 . HN . . . . . 23 . HB# . . rr_1aoo 3
136 1 OR . 1 1 23 23 SER HB2 H . . . 1 1 40 40 ASN HD22 H . . . . . 1.8 1.8 5.6 . . . . . A . 23 SER HB2 . . A . 40 ASN HD22 . . . 23 . HB# . . . . . 40 . HD2# . . rr_1aoo 3
136 2 OR . 1 1 23 23 SER HB3 H . . . 1 1 40 40 ASN HD22 H . . . . . 1.8 1.8 5.6 . . . . . A . 23 SER HB3 . . A . 40 ASN HD22 . . . 23 . HB# . . . . . 40 . HD2# . . rr_1aoo 3
136 3 OR . 1 1 40 40 ASN HD21 H . . . 1 1 23 23 SER HB2 H . . . . . 1.8 1.8 5.6 . . . . . A . 40 ASN HD21 . . A . 23 SER HB2 . . . 40 . HD2# . . . . . 23 . HB# . . rr_1aoo 3
136 4 OR . 1 1 23 23 SER HB3 H . . . 1 1 40 40 ASN HD21 H . . . . . 1.8 1.8 5.6 . . . . . A . 23 SER HB3 . . A . 40 ASN HD21 . . . 23 . HB# . . . . . 40 . HD2# . . rr_1aoo 3
137 1 OR . 1 1 23 23 SER H H . . . 1 1 23 23 SER HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 23 SER H . . A . 23 SER HB2 . . . 23 . HN . . . . . 23 . HB# . . rr_1aoo 3
137 2 OR . 1 1 23 23 SER H H . . . 1 1 23 23 SER HB3 H . . . . . 1.8 1.8 3.7 . . . . . A . 23 SER H . . A . 23 SER HB3 . . . 23 . HN . . . . . 23 . HB# . . rr_1aoo 3
138 1 . . 1 1 24 24 CYS HA H . . . 1 1 25 25 SER H H . . . . . 1.8 1.8 2.7 . . . . . A . 24 CYS HA . . A . 25 SER H . . . 24 . HA . . . . . 25 . HN . . rr_1aoo 3
139 1 . . 1 1 26 26 CYS H H . . . 1 1 24 24 CYS HA H . . . . . 1.8 1.8 3.6 . . . . . A . 26 CYS H . . A . 24 CYS HA . . . 26 . HN . . . . . 24 . HA . . rr_1aoo 3
140 1 . . 1 1 24 24 CYS HB3 H . . . 1 1 24 24 CYS H H . . . . . 1.8 1.8 3.2 . . . . . A . 24 CYS HB3 . . A . 24 CYS H . . . 24 . HB1 . . . . . 24 . HN . . rr_1aoo 3
141 1 . . 1 1 24 24 CYS H H . . . 1 1 24 24 CYS HB2 H . . . . . 1.8 1.8 3.2 . . . . . A . 24 CYS H . . A . 24 CYS HB2 . . . 24 . HN . . . . . 24 . HB2 . . rr_1aoo 3
142 1 . . 1 1 24 24 CYS HB3 H . . . 1 1 25 25 SER H H . . . . . 1.8 1.8 4.5 . . . . . A . 24 CYS HB3 . . A . 25 SER H . . . 24 . HB1 . . . . . 25 . HN . . rr_1aoo 3
143 1 . . 1 1 25 25 SER HA H . . . 1 1 26 26 CYS H H . . . . . 1.8 1.8 3.6 . . . . . A . 25 SER HA . . A . 26 CYS H . . . 25 . HA . . . . . 26 . HN . . rr_1aoo 3
144 1 . . 1 1 26 26 CYS H H . . . 1 1 25 25 SER H H . . . . . 1.8 1.8 3.2 . . . . . A . 26 CYS H . . A . 25 SER H . . . 26 . HN . . . . . 25 . HN . . rr_1aoo 3
145 1 OR . 1 1 26 26 CYS H H . . . 1 1 25 25 SER HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 26 CYS H . . A . 25 SER HB2 . . . 26 . HN . . . . . 25 . HB# . . rr_1aoo 3
145 2 OR . 1 1 26 26 CYS H H . . . 1 1 25 25 SER HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 26 CYS H . . A . 25 SER HB3 . . . 26 . HN . . . . . 25 . HB# . . rr_1aoo 3
146 1 OR . 1 1 25 25 SER H H . . . 1 1 25 25 SER HB2 H . . . . . 1.8 1.8 4.2 . . . . . A . 25 SER H . . A . 25 SER HB2 . . . 25 . HN . . . . . 25 . HB# . . rr_1aoo 3
146 2 OR . 1 1 25 25 SER H H . . . 1 1 25 25 SER HB3 H . . . . . 1.8 1.8 4.2 . . . . . A . 25 SER H . . A . 25 SER HB3 . . . 25 . HN . . . . . 25 . HB# . . rr_1aoo 3
147 1 . . 1 1 26 26 CYS H H . . . 1 1 26 26 CYS HB3 H . . . . . 1.8 1.8 3.2 . . . . . A . 26 CYS H . . A . 26 CYS HB3 . . . 26 . HN . . . . . 26 . HB1 . . rr_1aoo 3
148 1 . . 1 1 26 26 CYS HB2 H . . . 1 1 26 26 CYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 26 CYS HB2 . . A . 26 CYS H . . . 26 . HB2 . . . . . 26 . HN . . rr_1aoo 3
149 1 OR . 1 1 26 26 CYS H H . . . 1 1 27 27 PRO HD2 H . . . . . 1.8 1.8 4.6 . . . . . A . 26 CYS H . . A . 27 PRO HD2 . . . 26 . HN . . . . . 27 . HD# . . rr_1aoo 3
149 2 OR . 1 1 26 26 CYS H H . . . 1 1 27 27 PRO HD3 H . . . . . 1.8 1.8 4.6 . . . . . A . 26 CYS H . . A . 27 PRO HD3 . . . 26 . HN . . . . . 27 . HD# . . rr_1aoo 3
150 1 . . 1 1 26 26 CYS HB3 H . . . 1 1 30 30 CYS H H . . . . . 1.8 1.8 3.6 . . . . . A . 26 CYS HB3 . . A . 30 CYS H . . . 26 . HB1 . . . . . 30 . HN . . rr_1aoo 3
151 1 . . 1 1 27 27 PRO HA H . . . 1 1 28 28 THR H H . . . . . 1.8 1.8 2.7 . . . . . A . 27 PRO HA . . A . 28 THR H . . . 27 . HA . . . . . 28 . HN . . rr_1aoo 3
152 1 . . 1 1 27 27 PRO HA H . . . 1 1 29 29 GLY H H . . . . . 1.8 1.8 4.5 . . . . . A . 27 PRO HA . . A . 29 GLY H . . . 27 . HA . . . . . 29 . HN . . rr_1aoo 3
153 1 . . 1 1 27 27 PRO HA H . . . 1 1 28 28 THR HA H . . . . . 1.8 1.8 4.5 . . . . . A . 27 PRO HA . . A . 28 THR HA . . . 27 . HA . . . . . 28 . HA . . rr_1aoo 3
154 1 . . 1 1 28 28 THR MG H . . . 1 1 27 27 PRO HA H . . . . . 1.8 1.8 5.5 . . . . . A . 28 THR MG . . A . 27 PRO HA . . . 28 . HG2# . . . . . 27 . HA . . rr_1aoo 3
155 1 OR . 1 1 28 28 THR H H . . . 1 1 27 27 PRO HB2 H . . . . . 1.8 1.8 4.2 . . . . . A . 28 THR H . . A . 27 PRO HB2 . . . 28 . HN . . . . . 27 . HB# . . rr_1aoo 3
155 2 OR . 1 1 28 28 THR H H . . . 1 1 27 27 PRO HB3 H . . . . . 1.8 1.8 4.2 . . . . . A . 28 THR H . . A . 27 PRO HB3 . . . 28 . HN . . . . . 27 . HB# . . rr_1aoo 3
156 1 OR . 1 1 28 28 THR H H . . . 1 1 27 27 PRO HG2 H . . . . . 1.8 1.8 5.5 . . . . . A . 28 THR H . . A . 27 PRO HG2 . . . 28 . HN . . . . . 27 . HG# . . rr_1aoo 3
156 2 OR . 1 1 28 28 THR H H . . . 1 1 27 27 PRO HG3 H . . . . . 1.8 1.8 5.5 . . . . . A . 28 THR H . . A . 27 PRO HG3 . . . 28 . HN . . . . . 27 . HG# . . rr_1aoo 3
157 1 OR . 1 1 30 30 CYS H H . . . 1 1 27 27 PRO HD2 H . . . . . 1.8 1.8 5.5 . . . . . A . 30 CYS H . . A . 27 PRO HD2 . . . 30 . HN . . . . . 27 . HD# . . rr_1aoo 3
157 2 OR . 1 1 27 27 PRO HD3 H . . . 1 1 30 30 CYS H H . . . . . 1.8 1.8 5.5 . . . . . A . 27 PRO HD3 . . A . 30 CYS H . . . 27 . HD# . . . . . 30 . HN . . rr_1aoo 3
158 1 OR . 1 1 27 27 PRO HD2 H . . . 1 1 30 30 CYS HB3 H . . . . . 1.8 1.8 6.5 . . . . . A . 27 PRO HD2 . . A . 30 CYS HB3 . . . 27 . HD# . . . . . 30 . HB# . . rr_1aoo 3
158 2 OR . 1 1 27 27 PRO HD3 H . . . 1 1 30 30 CYS HB3 H . . . . . 1.8 1.8 6.5 . . . . . A . 27 PRO HD3 . . A . 30 CYS HB3 . . . 27 . HD# . . . . . 30 . HB# . . rr_1aoo 3
158 3 OR . 1 1 30 30 CYS HB2 H . . . 1 1 27 27 PRO HD2 H . . . . . 1.8 1.8 6.5 . . . . . A . 30 CYS HB2 . . A . 27 PRO HD2 . . . 30 . HB# . . . . . 27 . HD# . . rr_1aoo 3
158 4 OR . 1 1 27 27 PRO HD3 H . . . 1 1 30 30 CYS HB2 H . . . . . 1.8 1.8 6.5 . . . . . A . 27 PRO HD3 . . A . 30 CYS HB2 . . . 27 . HD# . . . . . 30 . HB# . . rr_1aoo 3
159 1 OR . 1 1 30 30 CYS H H . . . 1 1 27 27 PRO HG2 H . . . . . 1.8 1.8 5.5 . . . . . A . 30 CYS H . . A . 27 PRO HG2 . . . 30 . HN . . . . . 27 . HG# . . rr_1aoo 3
159 2 OR . 1 1 30 30 CYS H H . . . 1 1 27 27 PRO HG3 H . . . . . 1.8 1.8 5.5 . . . . . A . 30 CYS H . . A . 27 PRO HG3 . . . 30 . HN . . . . . 27 . HG# . . rr_1aoo 3
160 1 OR . 1 1 30 30 CYS H H . . . 1 1 27 27 PRO HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 30 CYS H . . A . 27 PRO HB2 . . . 30 . HN . . . . . 27 . HB# . . rr_1aoo 3
160 2 OR . 1 1 30 30 CYS H H . . . 1 1 27 27 PRO HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 30 CYS H . . A . 27 PRO HB3 . . . 30 . HN . . . . . 27 . HB# . . rr_1aoo 3
161 1 . . 1 1 29 29 GLY H H . . . 1 1 28 28 THR HA H . . . . . 1.8 1.8 2.7 . . . . . A . 29 GLY H . . A . 28 THR HA . . . 29 . HN . . . . . 28 . HA . . rr_1aoo 3
162 1 . . 1 1 30 30 CYS H H . . . 1 1 28 28 THR HA H . . . . . 1.8 1.8 3.2 . . . . . A . 30 CYS H . . A . 28 THR HA . . . 30 . HN . . . . . 28 . HA . . rr_1aoo 3
163 1 . . 1 1 28 28 THR H H . . . 1 1 29 29 GLY H H . . . . . 1.8 1.8 4.5 . . . . . A . 28 THR H . . A . 29 GLY H . . . 28 . HN . . . . . 29 . HN . . rr_1aoo 3
164 1 . . 1 1 30 30 CYS H H . . . 1 1 28 28 THR H H . . . . . 1.8 1.8 4.5 . . . . . A . 30 CYS H . . A . 28 THR H . . . 30 . HN . . . . . 28 . HN . . rr_1aoo 3
165 1 . . 1 1 28 28 THR MG H . . . 1 1 30 30 CYS H H . . . . . 1.8 1.8 6.0 . . . . . A . 28 THR MG . . A . 30 CYS H . . . 28 . HG2# . . . . . 30 . HN . . rr_1aoo 3
166 1 . . 1 1 28 28 THR MG H . . . 1 1 29 29 GLY H H . . . . . 1.8 1.8 5.1 . . . . . A . 28 THR MG . . A . 29 GLY H . . . 28 . HG2# . . . . . 29 . HN . . rr_1aoo 3
167 1 . . 1 1 28 28 THR H H . . . 1 1 28 28 THR HB H . . . . . 1.8 1.8 3.6 . . . . . A . 28 THR H . . A . 28 THR HB . . . 28 . HN . . . . . 28 . HB . . rr_1aoo 3
168 1 . . 1 1 28 28 THR MG H . . . 1 1 28 28 THR H H . . . . . 1.8 1.8 5.1 . . . . . A . 28 THR MG . . A . 28 THR H . . . 28 . HG2# . . . . . 28 . HN . . rr_1aoo 3
169 1 OR . 1 1 30 30 CYS H H . . . 1 1 29 29 GLY HA2 H . . . . . 1.8 1.8 4.2 . . . . . A . 30 CYS H . . A . 29 GLY HA2 . . . 30 . HN . . . . . 29 . HA# . . rr_1aoo 3
169 2 OR . 1 1 30 30 CYS H H . . . 1 1 29 29 GLY HA3 H . . . . . 1.8 1.8 4.2 . . . . . A . 30 CYS H . . A . 29 GLY HA3 . . . 30 . HN . . . . . 29 . HA# . . rr_1aoo 3
170 1 OR . 1 1 29 29 GLY HA3 H . . . 1 1 31 31 ASN HD22 H . . . . . 1.8 1.8 5.6 . . . . . A . 29 GLY HA3 . . A . 31 ASN HD22 . . . 29 . HA# . . . . . 31 . HD2# . . rr_1aoo 3
170 2 OR . 1 1 29 29 GLY HA2 H . . . 1 1 31 31 ASN HD22 H . . . . . 1.8 1.8 5.6 . . . . . A . 29 GLY HA2 . . A . 31 ASN HD22 . . . 29 . HA# . . . . . 31 . HD2# . . rr_1aoo 3
170 3 OR . 1 1 31 31 ASN HD21 H . . . 1 1 29 29 GLY HA2 H . . . . . 1.8 1.8 5.6 . . . . . A . 31 ASN HD21 . . A . 29 GLY HA2 . . . 31 . HD2# . . . . . 29 . HA# . . rr_1aoo 3
170 4 OR . 1 1 29 29 GLY HA3 H . . . 1 1 31 31 ASN HD21 H . . . . . 1.8 1.8 5.6 . . . . . A . 29 GLY HA3 . . A . 31 ASN HD21 . . . 29 . HA# . . . . . 31 . HD2# . . rr_1aoo 3
171 1 . . 1 1 30 30 CYS H H . . . 1 1 29 29 GLY H H . . . . . 1.8 1.8 3.2 . . . . . A . 30 CYS H . . A . 29 GLY H . . . 30 . HN . . . . . 29 . HN . . rr_1aoo 3
172 1 . . 1 1 30 30 CYS HA H . . . 1 1 31 31 ASN H H . . . . . 1.8 1.8 2.7 . . . . . A . 30 CYS HA . . A . 31 ASN H . . . 30 . HA . . . . . 31 . HN . . rr_1aoo 3
173 1 . . 1 1 30 30 CYS HA H . . . 1 1 32 32 SER H H . . . . . 1.8 1.8 4.5 . . . . . A . 30 CYS HA . . A . 32 SER H . . . 30 . HA . . . . . 32 . HN . . rr_1aoo 3
174 1 . . 1 1 30 30 CYS H H . . . 1 1 31 31 ASN H H . . . . . 1.8 1.8 4.5 . . . . . A . 30 CYS H . . A . 31 ASN H . . . 30 . HN . . . . . 31 . HN . . rr_1aoo 3
175 1 . . 1 1 30 30 CYS H H . . . 1 1 30 30 CYS HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 30 CYS H . . A . 30 CYS HB3 . . . 30 . HN . . . . . 30 . HB1 . . rr_1aoo 3
176 1 . . 1 1 30 30 CYS H H . . . 1 1 30 30 CYS HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 30 CYS H . . A . 30 CYS HB2 . . . 30 . HN . . . . . 30 . HB2 . . rr_1aoo 3
177 1 . . 1 1 30 30 CYS HB2 H . . . 1 1 31 31 ASN H H . . . . . 1.8 1.8 4.5 . . . . . A . 30 CYS HB2 . . A . 31 ASN H . . . 30 . HB2 . . . . . 31 . HN . . rr_1aoo 3
178 1 . . 1 1 31 31 ASN H H . . . 1 1 32 32 SER H H . . . . . 1.8 1.8 2.7 . . . . . A . 31 ASN H . . A . 32 SER H . . . 31 . HN . . . . . 32 . HN . . rr_1aoo 3
179 1 OR . 1 1 32 32 SER H H . . . 1 1 31 31 ASN HB2 H . . . . . 1.8 1.8 4.6 . . . . . A . 32 SER H . . A . 31 ASN HB2 . . . 32 . HN . . . . . 31 . HB# . . rr_1aoo 3
179 2 OR . 1 1 32 32 SER H H . . . 1 1 31 31 ASN HB3 H . . . . . 1.8 1.8 4.6 . . . . . A . 32 SER H . . A . 31 ASN HB3 . . . 32 . HN . . . . . 31 . HB# . . rr_1aoo 3
180 1 OR . 1 1 31 31 ASN H H . . . 1 1 31 31 ASN HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 31 ASN H . . A . 31 ASN HB2 . . . 31 . HN . . . . . 31 . HB# . . rr_1aoo 3
180 2 OR . 1 1 31 31 ASN H H . . . 1 1 31 31 ASN HB3 H . . . . . 1.8 1.8 3.7 . . . . . A . 31 ASN H . . A . 31 ASN HB3 . . . 31 . HN . . . . . 31 . HB# . . rr_1aoo 3
181 1 OR . 1 1 31 31 ASN H H . . . 1 1 32 32 SER HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 31 ASN H . . A . 32 SER HB2 . . . 31 . HN . . . . . 32 . HB# . . rr_1aoo 3
181 2 OR . 1 1 31 31 ASN H H . . . 1 1 32 32 SER HB3 H . . . . . 1.8 1.8 5.5 . . . . . A . 31 ASN H . . A . 32 SER HB3 . . . 31 . HN . . . . . 32 . HB# . . rr_1aoo 3
182 1 OR . 1 1 31 31 ASN H H . . . 1 1 31 31 ASN HD22 H . . . . . 1.8 1.8 5.5 . . . . . A . 31 ASN H . . A . 31 ASN HD22 . . . 31 . HN . . . . . 31 . HD2# . . rr_1aoo 3
182 2 OR . 1 1 31 31 ASN HD21 H . . . 1 1 31 31 ASN H H . . . . . 1.8 1.8 5.5 . . . . . A . 31 ASN HD21 . . A . 31 ASN H . . . 31 . HD2# . . . . . 31 . HN . . rr_1aoo 3
183 1 OR . 1 1 31 31 ASN HB3 H . . . 1 1 31 31 ASN HD22 H . . . . . 1.8 1.8 4.7 . . . . . A . 31 ASN HB3 . . A . 31 ASN HD22 . . . 31 . HB# . . . . . 31 . HD2# . . rr_1aoo 3
183 2 OR . 1 1 31 31 ASN HD21 H . . . 1 1 31 31 ASN HB2 H . . . . . 1.8 1.8 4.7 . . . . . A . 31 ASN HD21 . . A . 31 ASN HB2 . . . 31 . HD2# . . . . . 31 . HB# . . rr_1aoo 3
183 3 OR . 1 1 31 31 ASN HD21 H . . . 1 1 31 31 ASN HB3 H . . . . . 1.8 1.8 4.7 . . . . . A . 31 ASN HD21 . . A . 31 ASN HB3 . . . 31 . HD2# . . . . . 31 . HB# . . rr_1aoo 3
183 4 OR . 1 1 31 31 ASN HB2 H . . . 1 1 31 31 ASN HD22 H . . . . . 1.8 1.8 4.7 . . . . . A . 31 ASN HB2 . . A . 31 ASN HD22 . . . 31 . HB# . . . . . 31 . HD2# . . rr_1aoo 3
184 1 . . 1 1 32 32 SER HA H . . . 1 1 33 33 ASP H H . . . . . 1.8 1.8 3.2 . . . . . A . 32 SER HA . . A . 33 ASP H . . . 32 . HA . . . . . 33 . HN . . rr_1aoo 3
185 1 . . 1 1 32 32 SER HA H . . . 1 1 34 34 ASP H H . . . . . 1.8 1.8 4.5 . . . . . A . 32 SER HA . . A . 34 ASP H . . . 32 . HA . . . . . 34 . HN . . rr_1aoo 3
186 1 . . 1 1 32 32 SER H H . . . 1 1 33 33 ASP H H . . . . . 1.8 1.8 4.5 . . . . . A . 32 SER H . . A . 33 ASP H . . . 32 . HN . . . . . 33 . HN . . rr_1aoo 3
187 1 OR . 1 1 33 33 ASP H H . . . 1 1 32 32 SER HB2 H . . . . . 1.8 1.8 4.6 . . . . . A . 33 ASP H . . A . 32 SER HB2 . . . 33 . HN . . . . . 32 . HB# . . rr_1aoo 3
187 2 OR . 1 1 32 32 SER HB3 H . . . 1 1 33 33 ASP H H . . . . . 1.8 1.8 4.6 . . . . . A . 32 SER HB3 . . A . 33 ASP H . . . 32 . HB# . . . . . 33 . HN . . rr_1aoo 3
188 1 OR . 1 1 34 34 ASP H H . . . 1 1 32 32 SER HB2 H . . . . . 1.8 1.8 5.5 . . . . . A . 34 ASP H . . A . 32 SER HB2 . . . 34 . HN . . . . . 32 . HB# . . rr_1aoo 3
188 2 OR . 1 1 32 32 SER HB3 H . . . 1 1 34 34 ASP H H . . . . . 1.8 1.8 5.5 . . . . . A . 32 SER HB3 . . A . 34 ASP H . . . 32 . HB# . . . . . 34 . HN . . rr_1aoo 3
189 1 OR . 1 1 32 32 SER H H . . . 1 1 32 32 SER HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 32 SER H . . A . 32 SER HB2 . . . 32 . HN . . . . . 32 . HB# . . rr_1aoo 3
189 2 OR . 1 1 32 32 SER H H . . . 1 1 32 32 SER HB3 H . . . . . 1.8 1.8 3.7 . . . . . A . 32 SER H . . A . 32 SER HB3 . . . 32 . HN . . . . . 32 . HB# . . rr_1aoo 3
190 1 . . 1 1 34 34 ASP H H . . . 1 1 33 33 ASP HA H . . . . . 1.8 1.8 3.6 . . . . . A . 34 ASP H . . A . 33 ASP HA . . . 34 . HN . . . . . 33 . HA . . rr_1aoo 3
191 1 . . 1 1 33 33 ASP H H . . . 1 1 34 34 ASP H H . . . . . 1.8 1.8 3.2 . . . . . A . 33 ASP H . . A . 34 ASP H . . . 33 . HN . . . . . 34 . HN . . rr_1aoo 3
192 1 OR . 1 1 34 34 ASP H H . . . 1 1 33 33 ASP HB2 H . . . . . 1.8 1.8 4.2 . . . . . A . 34 ASP H . . A . 33 ASP HB2 . . . 34 . HN . . . . . 33 . HB# . . rr_1aoo 3
192 2 OR . 1 1 34 34 ASP H H . . . 1 1 33 33 ASP HB3 H . . . . . 1.8 1.8 4.2 . . . . . A . 34 ASP H . . A . 33 ASP HB3 . . . 34 . HN . . . . . 33 . HB# . . rr_1aoo 3
193 1 OR . 1 1 33 33 ASP H H . . . 1 1 33 33 ASP HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 33 ASP H . . A . 33 ASP HB2 . . . 33 . HN . . . . . 33 . HB# . . rr_1aoo 3
193 2 OR . 1 1 33 33 ASP H H . . . 1 1 33 33 ASP HB3 H . . . . . 1.8 1.8 3.7 . . . . . A . 33 ASP H . . A . 33 ASP HB3 . . . 33 . HN . . . . . 33 . HB# . . rr_1aoo 3
194 1 . . 1 1 34 34 ASP HA H . . . 1 1 35 35 LYS H H . . . . . 1.8 1.8 2.7 . . . . . A . 34 ASP HA . . A . 35 LYS H . . . 34 . HA . . . . . 35 . HN . . rr_1aoo 3
195 1 . . 1 1 34 34 ASP H H . . . 1 1 36 36 CYS H H . . . . . 1.8 1.8 4.5 . . . . . A . 34 ASP H . . A . 36 CYS H . . . 34 . HN . . . . . 36 . HN . . rr_1aoo 3
196 1 . . 1 1 34 34 ASP HA H . . . 1 1 36 36 CYS H H . . . . . 1.8 1.8 3.2 . . . . . A . 34 ASP HA . . A . 36 CYS H . . . 34 . HA . . . . . 36 . HN . . rr_1aoo 3
197 1 OR . 1 1 34 34 ASP H H . . . 1 1 34 34 ASP HB2 H . . . . . 1.8 1.8 3.7 . . . . . A . 34 ASP H . . A . 34 ASP HB2 . . . 34 . HN . . . . . 34 . HB# . . rr_1aoo 3
197 2 OR . 1 1 34 34 ASP H H . . . 1 1 34 34 ASP HB3 H . . . . . 1.8 1.8 3.7 . . . . . A . 34 ASP H . . A . 34 ASP HB3 . . . 34 . HN . . . . . 34 . HB# . . rr_1aoo 3
198 1 . . 1 1 36 36 CYS H H . . . 1 1 35 35 LYS HA H . . . . . 1.8 1.8 2.7 . . . . . A . 36 CYS H . . A . 35 LYS HA . . . 36 . HN . . . . . 35 . HA . . rr_1aoo 3
199 1 . . 1 1 35 35 LYS H H . . . 1 1 36 36 CYS H H . . . . . 1.8 1.8 3.2 . . . . . A . 35 LYS H . . A . 36 CYS H . . . 35 . HN . . . . . 36 . HN . . rr_1aoo 3
200 1 . . 1 1 36 36 CYS HA H . . . 1 1 38 38 CYS H H . . . . . 1.8 1.8 3.6 . . . . . A . 36 CYS HA . . A . 38 CYS H . . . 36 . HA . . . . . 38 . HN . . rr_1aoo 3
201 1 OR . 1 1 36 36 CYS H H . . . 1 1 37 37 PRO HG2 H . . . . . 1.8 1.8 4.6 . . . . . A . 36 CYS H . . A . 37 PRO HG2 . . . 36 . HN . . . . . 37 . HG# . . rr_1aoo 3
201 2 OR . 1 1 36 36 CYS H H . . . 1 1 37 37 PRO HG3 H . . . . . 1.8 1.8 4.6 . . . . . A . 36 CYS H . . A . 37 PRO HG3 . . . 36 . HN . . . . . 37 . HG# . . rr_1aoo 3
202 1 . . 1 1 36 36 CYS H H . . . 1 1 36 36 CYS HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 36 CYS H . . A . 36 CYS HB3 . . . 36 . HN . . . . . 36 . HB1 . . rr_1aoo 3
203 1 . . 1 1 36 36 CYS H H . . . 1 1 36 36 CYS HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 36 CYS H . . A . 36 CYS HB2 . . . 36 . HN . . . . . 36 . HB2 . . rr_1aoo 3
204 1 . . 1 1 38 38 CYS H H . . . 1 1 36 36 CYS HB3 H . . . . . 1.8 1.8 3.6 . . . . . A . 38 CYS H . . A . 36 CYS HB3 . . . 38 . HN . . . . . 36 . HB1 . . rr_1aoo 3
205 1 . . 1 1 38 38 CYS H H . . . 1 1 36 36 CYS HB2 H . . . . . 1.8 1.8 4.5 . . . . . A . 38 CYS H . . A . 36 CYS HB2 . . . 38 . HN . . . . . 36 . HB2 . . rr_1aoo 3
206 1 . . 1 1 38 38 CYS H H . . . 1 1 37 37 PRO HA H . . . . . 1.8 1.8 2.7 . . . . . A . 38 CYS H . . A . 37 PRO HA . . . 38 . HN . . . . . 37 . HA . . rr_1aoo 3
207 1 OR . 1 1 38 38 CYS H H . . . 1 1 37 37 PRO HB2 H . . . . . 1.8 1.8 4.6 . . . . . A . 38 CYS H . . A . 37 PRO HB2 . . . 38 . HN . . . . . 37 . HB# . . rr_1aoo 3
207 2 OR . 1 1 38 38 CYS H H . . . 1 1 37 37 PRO HB3 H . . . . . 1.8 1.8 4.6 . . . . . A . 38 CYS H . . A . 37 PRO HB3 . . . 38 . HN . . . . . 37 . HB# . . rr_1aoo 3
208 1 OR . 1 1 38 38 CYS H H . . . 1 1 37 37 PRO HG2 H . . . . . 1.8 1.8 5.5 . . . . . A . 38 CYS H . . A . 37 PRO HG2 . . . 38 . HN . . . . . 37 . HG# . . rr_1aoo 3
208 2 OR . 1 1 38 38 CYS H H . . . 1 1 37 37 PRO HG3 H . . . . . 1.8 1.8 5.5 . . . . . A . 38 CYS H . . A . 37 PRO HG3 . . . 38 . HN . . . . . 37 . HG# . . rr_1aoo 3
209 1 OR . 1 1 38 38 CYS H H . . . 1 1 37 37 PRO HD2 H . . . . . 1.8 1.8 4.2 . . . . . A . 38 CYS H . . A . 37 PRO HD2 . . . 38 . HN . . . . . 37 . HD# . . rr_1aoo 3
209 2 OR . 1 1 38 38 CYS H H . . . 1 1 37 37 PRO HD3 H . . . . . 1.8 1.8 4.2 . . . . . A . 38 CYS H . . A . 37 PRO HD3 . . . 38 . HN . . . . . 37 . HD# . . rr_1aoo 3
210 1 . . 1 1 38 38 CYS HA H . . . 1 1 39 39 GLY H H . . . . . 1.8 1.8 2.7 . . . . . A . 38 CYS HA . . A . 39 GLY H . . . 38 . HA . . . . . 39 . HN . . rr_1aoo 3
211 1 . . 1 1 38 38 CYS HA H . . . 1 1 40 40 ASN H H . . . . . 1.8 1.8 3.2 . . . . . A . 38 CYS HA . . A . 40 ASN H . . . 38 . HA . . . . . 40 . HN . . rr_1aoo 3
212 1 . . 1 1 38 38 CYS H H . . . 1 1 39 39 GLY H H . . . . . 1.8 1.8 4.5 . . . . . A . 38 CYS H . . A . 39 GLY H . . . 38 . HN . . . . . 39 . HN . . rr_1aoo 3
213 1 . . 1 1 39 39 GLY H H . . . 1 1 38 38 CYS HB2 H . . . . . 1.8 1.8 3.6 . . . . . A . 39 GLY H . . A . 38 CYS HB2 . . . 39 . HN . . . . . 38 . HB2 . . rr_1aoo 3
214 1 . . 1 1 38 38 CYS H H . . . 1 1 38 38 CYS HB3 H . . . . . 1.8 1.8 2.7 . . . . . A . 38 CYS H . . A . 38 CYS HB3 . . . 38 . HN . . . . . 38 . HB1 . . rr_1aoo 3
215 1 . . 1 1 38 38 CYS H H . . . 1 1 38 38 CYS HB2 H . . . . . 1.8 1.8 2.7 . . . . . A . 38 CYS H . . A . 38 CYS HB2 . . . 38 . HN . . . . . 38 . HB2 . . rr_1aoo 3
216 1 OR . 1 1 40 40 ASN H H . . . 1 1 39 39 GLY HA2 H . . . . . 1.8 1.8 4.2 . . . . . A . 40 ASN H . . A . 39 GLY HA2 . . . 40 . HN . . . . . 39 . HA# . . rr_1aoo 3
216 2 OR . 1 1 40 40 ASN H H . . . 1 1 39 39 GLY HA3 H . . . . . 1.8 1.8 4.2 . . . . . A . 40 ASN H . . A . 39 GLY HA3 . . . 40 . HN . . . . . 39 . HA# . . rr_1aoo 3
217 1 . . 1 1 39 39 GLY H H . . . 1 1 40 40 ASN H H . . . . . 1.8 1.8 3.6 . . . . . A . 39 GLY H . . A . 40 ASN H . . . 39 . HN . . . . . 40 . HN . . rr_1aoo 3
218 1 OR . 1 1 39 39 GLY H H . . . 1 1 40 40 ASN HD22 H . . . . . 1.8 1.8 4.6 . . . . . A . 39 GLY H . . A . 40 ASN HD22 . . . 39 . HN . . . . . 40 . HD2# . . rr_1aoo 3
218 2 OR . 1 1 40 40 ASN HD21 H . . . 1 1 39 39 GLY H H . . . . . 1.8 1.8 4.6 . . . . . A . 40 ASN HD21 . . A . 39 GLY H . . . 40 . HD2# . . . . . 39 . HN . . rr_1aoo 3
219 1 OR . 1 1 40 40 ASN H H . . . 1 1 40 40 ASN HB2 H . . . . . 1.8 1.8 4.2 . . . . . A . 40 ASN H . . A . 40 ASN HB2 . . . 40 . HN . . . . . 40 . HB# . . rr_1aoo 3
219 2 OR . 1 1 40 40 ASN H H . . . 1 1 40 40 ASN HB3 H . . . . . 1.8 1.8 4.2 . . . . . A . 40 ASN H . . A . 40 ASN HB3 . . . 40 . HN . . . . . 40 . HB# . . rr_1aoo 3
220 1 OR . 1 1 40 40 ASN HB2 H . . . 1 1 40 40 ASN HD22 H . . . . . 1.8 1.8 5.2 . . . . . A . 40 ASN HB2 . . A . 40 ASN HD22 . . . 40 . HB# . . . . . 40 . HD2# . . rr_1aoo 3
220 2 OR . 1 1 40 40 ASN HB3 H . . . 1 1 40 40 ASN HD22 H . . . . . 1.8 1.8 5.2 . . . . . A . 40 ASN HB3 . . A . 40 ASN HD22 . . . 40 . HB# . . . . . 40 . HD2# . . rr_1aoo 3
220 3 OR . 1 1 40 40 ASN HD21 H . . . 1 1 40 40 ASN HB2 H . . . . . 1.8 1.8 5.2 . . . . . A . 40 ASN HD21 . . A . 40 ASN HB2 . . . 40 . HD2# . . . . . 40 . HB# . . rr_1aoo 3
220 4 OR . 1 1 40 40 ASN HD21 H . . . 1 1 40 40 ASN HB3 H . . . . . 1.8 1.8 5.2 . . . . . A . 40 ASN HD21 . . A . 40 ASN HB3 . . . 40 . HD2# . . . . . 40 . HB# . . rr_1aoo 3
stop_
save_
save_CNS/XPLOR_distance_constraints_6
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_6
_Gen_dist_constraint_list.Entry_ID rr_1aoo
_Gen_dist_constraint_list.ID 3
_Gen_dist_constraint_list.Constraint_type "general distance"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 6
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_1aoo 4
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 "assign (resid 20 and name AG )(resid 9 and name AG ) 2.3 0.0 20.0" 6 1 6 77 rr_1aoo 4
2
;assign (resid 30 and name AG )(resid 14 and name AG ) 2.3 0.0 20.0
assign (resid 30 and name AG )(resid 36 and name AG ) 2.3 0.0 20.0
;
8 1 9 77 rr_1aoo 4
3
;assign (resid 26 and name AG )(resid 36 and name AG ) 2.3 0.0 20.0
assign (resid 26 and name AG )(resid 38 and name AG ) 2.3 0.0 20.0
assign (resid 26 and name AG )(resid 9 and name AG ) 2.3 0.0 20.0
assign (resid 14 and name AG )(resid 36 and name AG ) 2.3 0.0 20.0
assign (resid 14 and name AG )(resid 38 and name AG ) 2.3 0.0 20.0
;
13 1 17 78 rr_1aoo 4
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 6 1 1 "Not handling restraint 1, item 1, resonance(s) ' .20.AG' (nmrStar names),' .30.AG' (nmrStar names) not linked" rr_1aoo 4
2 6 2 1 "Not handling restraint 2, item 1, resonance(s) ' .20.AG' (nmrStar names),' .26.AG' (nmrStar names) not linked" rr_1aoo 4
3 6 3 1 "Not handling restraint 3, item 1, resonance(s) ' .20.AG' (nmrStar names),' .14.AG' (nmrStar names) not linked" rr_1aoo 4
4 6 4 1 "Not handling restraint 4, item 1, resonance(s) ' .20.AG' (nmrStar names),' .36.AG' (nmrStar names) not linked" rr_1aoo 4
5 6 5 1 "Not handling restraint 5, item 1, resonance(s) ' .20.AG' (nmrStar names),' .38.AG' (nmrStar names) not linked" rr_1aoo 4
6 6 6 1 "Not handling restraint 6, item 1, resonance(s) ' .30.AG' (nmrStar names),' .26.AG' (nmrStar names) not linked" rr_1aoo 4
7 6 7 1 "Not handling restraint 7, item 1, resonance(s) ' .30.AG' (nmrStar names),' .38.AG' (nmrStar names) not linked" rr_1aoo 4
8 6 8 1 "Not handling restraint 8, item 1, resonance(s) ' .30.AG' (nmrStar names),' .9.AG' (nmrStar names) not linked" rr_1aoo 4
9 6 9 1 "Not handling restraint 9, item 1, resonance(s) ' .14.AG' (nmrStar names),' .26.AG' (nmrStar names) not linked" rr_1aoo 4
10 6 10 1 "Not handling restraint 10, item 1, resonance(s) ' .9.AG' (nmrStar names),' .14.AG' (nmrStar names) not linked" rr_1aoo 4
11 6 11 1 "Not handling restraint 11, item 1, resonance(s) ' .38.AG' (nmrStar names),' .36.AG' (nmrStar names) not linked" rr_1aoo 4
12 6 12 1 "Not handling restraint 12, item 1, resonance(s) ' .9.AG' (nmrStar names),' .36.AG' (nmrStar names) not linked" rr_1aoo 4
13 6 13 1 "Not handling restraint 13, item 1, resonance(s) ' .38.AG' (nmrStar names),' .9.AG' (nmrStar names) not linked" rr_1aoo 4
stop_
save_
save_CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_2_1
_Distance_constraint_list.Entry_ID rr_1aoo
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_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_1aoo 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
;assign (resid 49 and name AG )(resid 14 and name SG ) 2.50 0.0 0.2
assign (resid 50 and name AG )(resid 26 and name SG ) 2.50 0.0 0.2
;
4 1 5 77 rr_1aoo 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) ' .20.AG' (nmrStar names) not linked" rr_1aoo 1
2 2 2 1 "Not handling restraint 2, item 1, resonance(s) ' .30.AG' (nmrStar names) not linked" rr_1aoo 1
3 2 3 1 "Not handling restraint 3, item 1, resonance(s) ' .38.AG' (nmrStar names) not linked" rr_1aoo 1
4 2 4 1 "Not handling restraint 4, item 1, resonance(s) ' .9.AG' (nmrStar names) not linked" rr_1aoo 1
5 2 5 1 "Not handling restraint 5, item 1, resonance(s) ' .9.AG' (nmrStar names) not linked" rr_1aoo 1
6 2 6 1 "Not handling restraint 6, item 1, resonance(s) ' .14.AG' (nmrStar names) not linked" rr_1aoo 1
7 2 7 1 "Not handling restraint 7, item 1, resonance(s) ' .14.AG' (nmrStar names) not linked" rr_1aoo 1
8 2 8 1 "Not handling restraint 8, item 1, resonance(s) ' .26.AG' (nmrStar names) not linked" rr_1aoo 1
9 2 9 1 "Not handling restraint 9, item 1, resonance(s) ' .26.AG' (nmrStar names) not linked" rr_1aoo 1
10 2 10 1 "Not handling restraint 10, item 1, resonance(s) ' .36.AG' (nmrStar names) not linked" rr_1aoo 1
11 2 11 1 "Not handling restraint 11, item 1, resonance(s) ' .36.AG' (nmrStar names) not linked" rr_1aoo 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_4_1
_Distance_constraint_list.Entry_ID rr_1aoo
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1aoo 2
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1aoo 2
2 1 . . . rr_1aoo 2
3 1 . . . rr_1aoo 2
4 1 . . . rr_1aoo 2
5 1 . . . rr_1aoo 2
6 1 . . . rr_1aoo 2
7 1 . . . rr_1aoo 2
8 1 . . . rr_1aoo 2
9 1 . . . rr_1aoo 2
10 1 . . . rr_1aoo 2
11 1 . . . rr_1aoo 2
12 1 . . . rr_1aoo 2
13 1 . . . rr_1aoo 2
14 1 . . . rr_1aoo 2
15 1 . . . rr_1aoo 2
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 7 7 CYS SG S . . . . 7 . SG rr_1aoo 2
1 1 . 2 . 1 1 20 20 CYS SG S . . . . 20 . SG rr_1aoo 2
2 1 . 1 . 1 1 7 7 CYS SG S . . . . 7 . SG rr_1aoo 2
2 1 . 2 . 1 1 9 9 CYS SG S . . . . 9 . SG rr_1aoo 2
3 1 . 1 . 1 1 9 9 CYS SG S . . . . 9 . SG rr_1aoo 2
3 1 . 2 . 1 1 24 24 CYS SG S . . . . 24 . SG rr_1aoo 2
4 1 . 1 . 1 1 7 7 CYS SG S . . . . 7 . SG rr_1aoo 2
4 1 . 2 . 1 1 24 24 CYS SG S . . . . 24 . SG rr_1aoo 2
5 1 . 1 . 1 1 24 24 CYS SG S . . . . 24 . SG rr_1aoo 2
5 1 . 2 . 1 1 38 38 CYS SG S . . . . 38 . SG rr_1aoo 2
6 1 . 1 . 1 1 38 38 CYS SG S . . . . 38 . SG rr_1aoo 2
6 1 . 2 . 1 1 14 14 CYS SG S . . . . 14 . SG rr_1aoo 2
7 1 . 1 . 1 1 14 14 CYS SG S . . . . 14 . SG rr_1aoo 2
7 1 . 2 . 1 1 36 36 CYS SG S . . . . 36 . SG rr_1aoo 2
8 1 . 1 . 1 1 11 11 CYS SG S . . . . 11 . SG rr_1aoo 2
8 1 . 2 . 1 1 14 14 CYS SG S . . . . 14 . SG rr_1aoo 2
9 1 . 1 . 1 1 11 11 CYS SG S . . . . 11 . SG rr_1aoo 2
9 1 . 2 . 1 1 30 30 CYS SG S . . . . 30 . SG rr_1aoo 2
10 1 . 1 . 1 1 11 11 CYS SG S . . . . 11 . SG rr_1aoo 2
10 1 . 2 . 1 1 36 36 CYS SG S . . . . 36 . SG rr_1aoo 2
11 1 . 1 . 1 1 30 30 CYS SG S . . . . 30 . SG rr_1aoo 2
11 1 . 2 . 1 1 26 26 CYS SG S . . . . 26 . SG rr_1aoo 2
12 1 . 1 . 1 1 30 30 CYS SG S . . . . 30 . SG rr_1aoo 2
12 1 . 2 . 1 1 36 36 CYS SG S . . . . 36 . SG rr_1aoo 2
13 1 . 1 . 1 1 26 26 CYS SG S . . . . 26 . SG rr_1aoo 2
13 1 . 2 . 1 1 38 38 CYS SG S . . . . 38 . SG rr_1aoo 2
14 1 . 1 . 1 1 26 26 CYS SG S . . . . 26 . SG rr_1aoo 2
14 1 . 2 . 1 1 36 36 CYS SG S . . . . 36 . SG rr_1aoo 2
15 1 . 1 . 1 1 26 26 CYS SG S . . . . 26 . SG rr_1aoo 2
15 1 . 2 . 1 1 24 24 CYS SG S . . . . 24 . SG rr_1aoo 2
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 5.00 5.00 5.00 rr_1aoo 2
2 1 . . . . . . 4.33 3.88 4.78 rr_1aoo 2
3 1 . . . . . . 4.33 3.88 4.78 rr_1aoo 2
4 1 . . . . . . 4.33 3.88 4.78 rr_1aoo 2
5 1 . . . . . . 4.33 3.88 4.78 rr_1aoo 2
6 1 . . . . . . 4.33 3.88 4.78 rr_1aoo 2
7 1 . . . . . . 4.33 3.88 4.78 rr_1aoo 2
8 1 . . . . . . 4.33 3.88 4.78 rr_1aoo 2
9 1 . . . . . . 5.00 5.00 5.00 rr_1aoo 2
10 1 . . . . . . 4.33 3.88 4.78 rr_1aoo 2
11 1 . . . . . . 4.33 3.88 4.78 rr_1aoo 2
12 1 . . . . . . 4.33 3.88 4.78 rr_1aoo 2
13 1 . . . . . . 4.33 3.88 4.78 rr_1aoo 2
14 1 . . . . . . 4.33 3.88 4.78 rr_1aoo 2
15 1 . . . . . . 4.33 3.88 4.78 rr_1aoo 2
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 t? 1 75 1 78 rr_1aoo 2
2 t? 9 75 9 78 rr_1aoo 2
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 4 16 1 "Not handling restraint 16, item 1, resonance(s) ' .20.AG' (nmrStar names),' .9.AG' (nmrStar names) not linked" rr_1aoo 2
2 4 17 1 "Not handling restraint 17, item 1, resonance(s) ' .9.AG' (nmrStar names),' .26.AG' (nmrStar names) not linked" rr_1aoo 2
3 4 18 1 "Not handling restraint 18, item 1, resonance(s) ' .38.AG' (nmrStar names),' .26.AG' (nmrStar names) not linked" rr_1aoo 2
4 4 19 1 "Not handling restraint 19, item 1, resonance(s) ' .38.AG' (nmrStar names),' .14.AG' (nmrStar names) not linked" rr_1aoo 2
5 4 20 1 "Not handling restraint 20, item 1, resonance(s) ' .30.AG' (nmrStar names),' .14.AG' (nmrStar names) not linked" rr_1aoo 2
6 4 21 1 "Not handling restraint 21, item 1, resonance(s) ' .30.AG' (nmrStar names),' .36.AG' (nmrStar names) not linked" rr_1aoo 2
7 4 22 1 "Not handling restraint 22, item 1, resonance(s) ' .14.AG' (nmrStar names),' .36.AG' (nmrStar names) not linked" rr_1aoo 2
8 4 23 1 "Not handling restraint 23, item 1, resonance(s) ' .26.AG' (nmrStar names),' .36.AG' (nmrStar names) not linked" rr_1aoo 2
stop_
save_
save_CNS/XPLOR_distance_constraints_7_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_7_1
_Distance_constraint_list.Entry_ID rr_1aoo
_Distance_constraint_list.ID 4
_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 7
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_1aoo 3
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1aoo 3
2 1 . . . rr_1aoo 3
3 1 . . . rr_1aoo 3
4 1 2 . OR rr_1aoo 3
4 2 . 3 . rr_1aoo 3
4 3 . . . rr_1aoo 3
5 1 2 . OR rr_1aoo 3
5 2 . 3 . rr_1aoo 3
5 3 . . . rr_1aoo 3
6 1 2 . OR rr_1aoo 3
6 2 . 3 . rr_1aoo 3
6 3 . 4 . rr_1aoo 3
6 4 . 5 . rr_1aoo 3
6 5 . . . rr_1aoo 3
7 1 . . . rr_1aoo 3
8 1 . . . rr_1aoo 3
9 1 . . . rr_1aoo 3
10 1 . . . rr_1aoo 3
11 1 2 . OR rr_1aoo 3
11 2 . 3 . rr_1aoo 3
11 3 . . . rr_1aoo 3
12 1 2 . OR rr_1aoo 3
12 2 . 3 . rr_1aoo 3
12 3 . . . rr_1aoo 3
13 1 2 . OR rr_1aoo 3
13 2 . 3 . rr_1aoo 3
13 3 . . . rr_1aoo 3
14 1 2 . OR rr_1aoo 3
14 2 . 3 . rr_1aoo 3
14 3 . . . rr_1aoo 3
15 1 . . . rr_1aoo 3
16 1 . . . rr_1aoo 3
17 1 2 . OR rr_1aoo 3
17 2 . 3 . rr_1aoo 3
17 3 . . . rr_1aoo 3
18 1 . . . rr_1aoo 3
19 1 . . . rr_1aoo 3
20 1 . . . rr_1aoo 3
21 1 . . . rr_1aoo 3
22 1 . . . rr_1aoo 3
23 1 . . . rr_1aoo 3
24 1 . . . rr_1aoo 3
25 1 . . . rr_1aoo 3
26 1 . . . rr_1aoo 3
27 1 2 . OR rr_1aoo 3
27 2 . 3 . rr_1aoo 3
27 3 . . . rr_1aoo 3
28 1 2 . OR rr_1aoo 3
28 2 . 3 . rr_1aoo 3
28 3 . . . rr_1aoo 3
29 1 . . . rr_1aoo 3
30 1 . . . rr_1aoo 3
31 1 2 . OR rr_1aoo 3
31 2 . 3 . rr_1aoo 3
31 3 . . . rr_1aoo 3
32 1 2 . OR rr_1aoo 3
32 2 . 3 . rr_1aoo 3
32 3 . . . rr_1aoo 3
33 1 2 . OR rr_1aoo 3
33 2 . 3 . rr_1aoo 3
33 3 . 4 . rr_1aoo 3
33 4 . 5 . rr_1aoo 3
33 5 . . . rr_1aoo 3
34 1 2 . OR rr_1aoo 3
34 2 . 3 . rr_1aoo 3
34 3 . . . rr_1aoo 3
35 1 2 . OR rr_1aoo 3
35 2 . 3 . rr_1aoo 3
35 3 . . . rr_1aoo 3
36 1 . . . rr_1aoo 3
37 1 . . . rr_1aoo 3
38 1 . . . rr_1aoo 3
39 1 . . . rr_1aoo 3
40 1 . . . rr_1aoo 3
41 1 . . . rr_1aoo 3
42 1 . . . rr_1aoo 3
43 1 . . . rr_1aoo 3
44 1 . . . rr_1aoo 3
45 1 . . . rr_1aoo 3
46 1 2 . OR rr_1aoo 3
46 2 . 3 . rr_1aoo 3
46 3 . . . rr_1aoo 3
47 1 2 . OR rr_1aoo 3
47 2 . 3 . rr_1aoo 3
47 3 . . . rr_1aoo 3
48 1 2 . OR rr_1aoo 3
48 2 . 3 . rr_1aoo 3
48 3 . . . rr_1aoo 3
49 1 2 . OR rr_1aoo 3
49 2 . 3 . rr_1aoo 3
49 3 . 4 . rr_1aoo 3
49 4 . 5 . rr_1aoo 3
49 5 . . . rr_1aoo 3
50 1 2 . OR rr_1aoo 3
50 2 . 3 . rr_1aoo 3
50 3 . . . rr_1aoo 3
51 1 . . . rr_1aoo 3
52 1 . . . rr_1aoo 3
53 1 . . . rr_1aoo 3
54 1 . . . rr_1aoo 3
55 1 . . . rr_1aoo 3
56 1 . . . rr_1aoo 3
57 1 . . . rr_1aoo 3
58 1 . . . rr_1aoo 3
59 1 . . . rr_1aoo 3
60 1 2 . OR rr_1aoo 3
60 2 . 3 . rr_1aoo 3
60 3 . 4 . rr_1aoo 3
60 4 . 5 . rr_1aoo 3
60 5 . . . rr_1aoo 3
61 1 2 . OR rr_1aoo 3
61 2 . 3 . rr_1aoo 3
61 3 . . . rr_1aoo 3
62 1 2 . OR rr_1aoo 3
62 2 . 3 . rr_1aoo 3
62 3 . . . rr_1aoo 3
63 1 2 . OR rr_1aoo 3
63 2 . 3 . rr_1aoo 3
63 3 . . . rr_1aoo 3
64 1 . . . rr_1aoo 3
65 1 . . . rr_1aoo 3
66 1 . . . rr_1aoo 3
67 1 . . . rr_1aoo 3
68 1 . . . rr_1aoo 3
69 1 . . . rr_1aoo 3
70 1 . . . rr_1aoo 3
71 1 . . . rr_1aoo 3
72 1 2 . OR rr_1aoo 3
72 2 . 3 . rr_1aoo 3
72 3 . . . rr_1aoo 3
73 1 2 . OR rr_1aoo 3
73 2 . 3 . rr_1aoo 3
73 3 . . . rr_1aoo 3
74 1 . . . rr_1aoo 3
75 1 . . . rr_1aoo 3
76 1 2 . OR rr_1aoo 3
76 2 . 3 . rr_1aoo 3
76 3 . . . rr_1aoo 3
77 1 2 . OR rr_1aoo 3
77 2 . 3 . rr_1aoo 3
77 3 . . . rr_1aoo 3
78 1 2 . OR rr_1aoo 3
78 2 . 3 . rr_1aoo 3
78 3 . . . rr_1aoo 3
79 1 . . . rr_1aoo 3
80 1 . . . rr_1aoo 3
81 1 . . . rr_1aoo 3
82 1 2 . OR rr_1aoo 3
82 2 . 3 . rr_1aoo 3
82 3 . . . rr_1aoo 3
83 1 . . . rr_1aoo 3
84 1 . . . rr_1aoo 3
85 1 . . . rr_1aoo 3
86 1 . . . rr_1aoo 3
87 1 . . . rr_1aoo 3
88 1 . . . rr_1aoo 3
89 1 . . . rr_1aoo 3
90 1 . . . rr_1aoo 3
91 1 2 . OR rr_1aoo 3
91 2 . 3 . rr_1aoo 3
91 3 . . . rr_1aoo 3
92 1 2 . OR rr_1aoo 3
92 2 . 3 . rr_1aoo 3
92 3 . . . rr_1aoo 3
93 1 2 . OR rr_1aoo 3
93 2 . 3 . rr_1aoo 3
93 3 . 4 . rr_1aoo 3
93 4 . 5 . rr_1aoo 3
93 5 . . . rr_1aoo 3
94 1 2 . OR rr_1aoo 3
94 2 . 3 . rr_1aoo 3
94 3 . 4 . rr_1aoo 3
94 4 . 5 . rr_1aoo 3
94 5 . . . rr_1aoo 3
95 1 . . . rr_1aoo 3
96 1 . . . rr_1aoo 3
97 1 . . . rr_1aoo 3
98 1 2 . OR rr_1aoo 3
98 2 . 3 . rr_1aoo 3
98 3 . . . rr_1aoo 3
99 1 2 . OR rr_1aoo 3
99 2 . 3 . rr_1aoo 3
99 3 . 4 . rr_1aoo 3
99 4 . 5 . rr_1aoo 3
99 5 . . . rr_1aoo 3
100 1 . . . rr_1aoo 3
101 1 . . . rr_1aoo 3
102 1 . . . rr_1aoo 3
103 1 . . . rr_1aoo 3
104 1 2 . OR rr_1aoo 3
104 2 . 3 . rr_1aoo 3
104 3 . . . rr_1aoo 3
105 1 2 . OR rr_1aoo 3
105 2 . 3 . rr_1aoo 3
105 3 . . . rr_1aoo 3
106 1 2 . OR rr_1aoo 3
106 2 . 3 . rr_1aoo 3
106 3 . . . rr_1aoo 3
107 1 . . . rr_1aoo 3
108 1 . . . rr_1aoo 3
109 1 . . . rr_1aoo 3
110 1 2 . OR rr_1aoo 3
110 2 . 3 . rr_1aoo 3
110 3 . . . rr_1aoo 3
111 1 2 . OR rr_1aoo 3
111 2 . 3 . rr_1aoo 3
111 3 . 4 . rr_1aoo 3
111 4 . 5 . rr_1aoo 3
111 5 . . . rr_1aoo 3
112 1 2 . OR rr_1aoo 3
112 2 . 3 . rr_1aoo 3
112 3 . . . rr_1aoo 3
113 1 2 . OR rr_1aoo 3
113 2 . 3 . rr_1aoo 3
113 3 . . . rr_1aoo 3
114 1 . . . rr_1aoo 3
115 1 . . . rr_1aoo 3
116 1 . . . rr_1aoo 3
117 1 . . . rr_1aoo 3
118 1 . . . rr_1aoo 3
119 1 . . . rr_1aoo 3
120 1 . . . rr_1aoo 3
121 1 . . . rr_1aoo 3
122 1 2 . OR rr_1aoo 3
122 2 . 3 . rr_1aoo 3
122 3 . . . rr_1aoo 3
123 1 2 . OR rr_1aoo 3
123 2 . 3 . rr_1aoo 3
123 3 . 4 . rr_1aoo 3
123 4 . 5 . rr_1aoo 3
123 5 . . . rr_1aoo 3
124 1 2 . OR rr_1aoo 3
124 2 . 3 . rr_1aoo 3
124 3 . . . rr_1aoo 3
125 1 2 . OR rr_1aoo 3
125 2 . 3 . rr_1aoo 3
125 3 . . . rr_1aoo 3
126 1 2 . OR rr_1aoo 3
126 2 . 3 . rr_1aoo 3
126 3 . . . rr_1aoo 3
127 1 2 . OR rr_1aoo 3
127 2 . 3 . rr_1aoo 3
127 3 . . . rr_1aoo 3
128 1 . . . rr_1aoo 3
129 1 . . . rr_1aoo 3
130 1 2 . OR rr_1aoo 3
130 2 . 3 . rr_1aoo 3
130 3 . . . rr_1aoo 3
131 1 2 . OR rr_1aoo 3
131 2 . 3 . rr_1aoo 3
131 3 . . . rr_1aoo 3
132 1 2 . OR rr_1aoo 3
132 2 . 3 . rr_1aoo 3
132 3 . . . rr_1aoo 3
133 1 . . . rr_1aoo 3
134 1 . . . rr_1aoo 3
135 1 2 . OR rr_1aoo 3
135 2 . 3 . rr_1aoo 3
135 3 . . . rr_1aoo 3
136 1 2 . OR rr_1aoo 3
136 2 . 3 . rr_1aoo 3
136 3 . 4 . rr_1aoo 3
136 4 . 5 . rr_1aoo 3
136 5 . . . rr_1aoo 3
137 1 2 . OR rr_1aoo 3
137 2 . 3 . rr_1aoo 3
137 3 . . . rr_1aoo 3
138 1 . . . rr_1aoo 3
139 1 . . . rr_1aoo 3
140 1 . . . rr_1aoo 3
141 1 . . . rr_1aoo 3
142 1 . . . rr_1aoo 3
143 1 . . . rr_1aoo 3
144 1 . . . rr_1aoo 3
145 1 2 . OR rr_1aoo 3
145 2 . 3 . rr_1aoo 3
145 3 . . . rr_1aoo 3
146 1 2 . OR rr_1aoo 3
146 2 . 3 . rr_1aoo 3
146 3 . . . rr_1aoo 3
147 1 . . . rr_1aoo 3
148 1 . . . rr_1aoo 3
149 1 2 . OR rr_1aoo 3
149 2 . 3 . rr_1aoo 3
149 3 . . . rr_1aoo 3
150 1 . . . rr_1aoo 3
151 1 . . . rr_1aoo 3
152 1 . . . rr_1aoo 3
153 1 . . . rr_1aoo 3
154 1 . . . rr_1aoo 3
155 1 2 . OR rr_1aoo 3
155 2 . 3 . rr_1aoo 3
155 3 . . . rr_1aoo 3
156 1 2 . OR rr_1aoo 3
156 2 . 3 . rr_1aoo 3
156 3 . . . rr_1aoo 3
157 1 2 . OR rr_1aoo 3
157 2 . 3 . rr_1aoo 3
157 3 . . . rr_1aoo 3
158 1 2 . OR rr_1aoo 3
158 2 . 3 . rr_1aoo 3
158 3 . 4 . rr_1aoo 3
158 4 . 5 . rr_1aoo 3
158 5 . . . rr_1aoo 3
159 1 2 . OR rr_1aoo 3
159 2 . 3 . rr_1aoo 3
159 3 . . . rr_1aoo 3
160 1 2 . OR rr_1aoo 3
160 2 . 3 . rr_1aoo 3
160 3 . . . rr_1aoo 3
161 1 . . . rr_1aoo 3
162 1 . . . rr_1aoo 3
163 1 . . . rr_1aoo 3
164 1 . . . rr_1aoo 3
165 1 . . . rr_1aoo 3
166 1 . . . rr_1aoo 3
167 1 . . . rr_1aoo 3
168 1 . . . rr_1aoo 3
169 1 2 . OR rr_1aoo 3
169 2 . 3 . rr_1aoo 3
169 3 . . . rr_1aoo 3
170 1 2 . OR rr_1aoo 3
170 2 . 3 . rr_1aoo 3
170 3 . 4 . rr_1aoo 3
170 4 . 5 . rr_1aoo 3
170 5 . . . rr_1aoo 3
171 1 . . . rr_1aoo 3
172 1 . . . rr_1aoo 3
173 1 . . . rr_1aoo 3
174 1 . . . rr_1aoo 3
175 1 . . . rr_1aoo 3
176 1 . . . rr_1aoo 3
177 1 . . . rr_1aoo 3
178 1 . . . rr_1aoo 3
179 1 2 . OR rr_1aoo 3
179 2 . 3 . rr_1aoo 3
179 3 . . . rr_1aoo 3
180 1 2 . OR rr_1aoo 3
180 2 . 3 . rr_1aoo 3
180 3 . . . rr_1aoo 3
181 1 2 . OR rr_1aoo 3
181 2 . 3 . rr_1aoo 3
181 3 . . . rr_1aoo 3
182 1 2 . OR rr_1aoo 3
182 2 . 3 . rr_1aoo 3
182 3 . . . rr_1aoo 3
183 1 2 . OR rr_1aoo 3
183 2 . 3 . rr_1aoo 3
183 3 . 4 . rr_1aoo 3
183 4 . 5 . rr_1aoo 3
183 5 . . . rr_1aoo 3
184 1 . . . rr_1aoo 3
185 1 . . . rr_1aoo 3
186 1 . . . rr_1aoo 3
187 1 2 . OR rr_1aoo 3
187 2 . 3 . rr_1aoo 3
187 3 . . . rr_1aoo 3
188 1 2 . OR rr_1aoo 3
188 2 . 3 . rr_1aoo 3
188 3 . . . rr_1aoo 3
189 1 2 . OR rr_1aoo 3
189 2 . 3 . rr_1aoo 3
189 3 . . . rr_1aoo 3
190 1 . . . rr_1aoo 3
191 1 . . . rr_1aoo 3
192 1 2 . OR rr_1aoo 3
192 2 . 3 . rr_1aoo 3
192 3 . . . rr_1aoo 3
193 1 2 . OR rr_1aoo 3
193 2 . 3 . rr_1aoo 3
193 3 . . . rr_1aoo 3
194 1 . . . rr_1aoo 3
195 1 . . . rr_1aoo 3
196 1 . . . rr_1aoo 3
197 1 2 . OR rr_1aoo 3
197 2 . 3 . rr_1aoo 3
197 3 . . . rr_1aoo 3
198 1 . . . rr_1aoo 3
199 1 . . . rr_1aoo 3
200 1 . . . rr_1aoo 3
201 1 2 . OR rr_1aoo 3
201 2 . 3 . rr_1aoo 3
201 3 . . . rr_1aoo 3
202 1 . . . rr_1aoo 3
203 1 . . . rr_1aoo 3
204 1 . . . rr_1aoo 3
205 1 . . . rr_1aoo 3
206 1 . . . rr_1aoo 3
207 1 2 . OR rr_1aoo 3
207 2 . 3 . rr_1aoo 3
207 3 . . . rr_1aoo 3
208 1 2 . OR rr_1aoo 3
208 2 . 3 . rr_1aoo 3
208 3 . . . rr_1aoo 3
209 1 2 . OR rr_1aoo 3
209 2 . 3 . rr_1aoo 3
209 3 . . . rr_1aoo 3
210 1 . . . rr_1aoo 3
211 1 . . . rr_1aoo 3
212 1 . . . rr_1aoo 3
213 1 . . . rr_1aoo 3
214 1 . . . rr_1aoo 3
215 1 . . . rr_1aoo 3
216 1 2 . OR rr_1aoo 3
216 2 . 3 . rr_1aoo 3
216 3 . . . rr_1aoo 3
217 1 . . . rr_1aoo 3
218 1 2 . OR rr_1aoo 3
218 2 . 3 . rr_1aoo 3
218 3 . . . rr_1aoo 3
219 1 2 . OR rr_1aoo 3
219 2 . 3 . rr_1aoo 3
219 3 . . . rr_1aoo 3
220 1 2 . OR rr_1aoo 3
220 2 . 3 . rr_1aoo 3
220 3 . 4 . rr_1aoo 3
220 4 . 5 . rr_1aoo 3
220 5 . . . rr_1aoo 3
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 1 1 GLN HA H . . . . 1 . HA rr_1aoo 3
1 1 . 2 . 1 1 2 2 ASN H H . . . . 2 . HN rr_1aoo 3
2 1 . 1 . 1 1 1 1 GLN H1 H . . . . 1 . HT* rr_1aoo 3
2 1 . 2 . 1 1 2 2 ASN H H . . . . 2 . HN rr_1aoo 3
3 1 . 1 . 1 1 2 2 ASN HA H . . . . 2 . HA rr_1aoo 3
3 1 . 2 . 1 1 3 3 GLU H H . . . . 3 . HN rr_1aoo 3
4 2 . 1 . 1 1 2 2 ASN HB2 H . . . . 2 . HB# rr_1aoo 3
4 2 . 2 . 1 1 3 3 GLU H H . . . . 3 . HN rr_1aoo 3
4 3 . 1 . 1 1 2 2 ASN HB3 H . . . . 2 . HB# rr_1aoo 3
4 3 . 2 . 1 1 3 3 GLU H H . . . . 3 . HN rr_1aoo 3
5 2 . 1 . 1 1 2 2 ASN H H . . . . 2 . HN rr_1aoo 3
5 2 . 2 . 1 1 2 2 ASN HB2 H . . . . 2 . HB# rr_1aoo 3
5 3 . 1 . 1 1 2 2 ASN H H . . . . 2 . HN rr_1aoo 3
5 3 . 2 . 1 1 2 2 ASN HB3 H . . . . 2 . HB# rr_1aoo 3
6 2 . 1 . 1 1 2 2 ASN HD22 H . . . . 2 . HD2# rr_1aoo 3
6 2 . 2 . 1 1 2 2 ASN HB3 H . . . . 2 . HB# rr_1aoo 3
6 3 . 1 . 1 1 2 2 ASN HD22 H . . . . 2 . HD2# rr_1aoo 3
6 3 . 2 . 1 1 2 2 ASN HB2 H . . . . 2 . HB# rr_1aoo 3
6 4 . 1 . 1 1 2 2 ASN HD21 H . . . . 2 . HD2# rr_1aoo 3
6 4 . 2 . 1 1 2 2 ASN HB2 H . . . . 2 . HB# rr_1aoo 3
6 5 . 1 . 1 1 2 2 ASN HD21 H . . . . 2 . HD2# rr_1aoo 3
6 5 . 2 . 1 1 2 2 ASN HB3 H . . . . 2 . HB# rr_1aoo 3
7 1 . 1 . 1 1 3 3 GLU HA H . . . . 3 . HA rr_1aoo 3
7 1 . 2 . 1 1 4 4 GLY H H . . . . 4 . HN rr_1aoo 3
8 1 . 1 . 1 1 3 3 GLU HA H . . . . 3 . HA rr_1aoo 3
8 1 . 2 . 1 1 5 5 HIS HE1 H . . . . 5 . HE1 rr_1aoo 3
9 1 . 1 . 1 1 3 3 GLU H H . . . . 3 . HN rr_1aoo 3
9 1 . 2 . 1 1 4 4 GLY H H . . . . 4 . HN rr_1aoo 3
10 1 . 1 . 1 1 3 3 GLU HA H . . . . 3 . HA rr_1aoo 3
10 1 . 2 . 1 1 5 5 HIS HD2 H . . . . 5 . HD2 rr_1aoo 3
11 2 . 1 . 1 1 3 3 GLU H H . . . . 3 . HN rr_1aoo 3
11 2 . 2 . 1 1 3 3 GLU HB2 H . . . . 3 . HB# rr_1aoo 3
11 3 . 1 . 1 1 3 3 GLU H H . . . . 3 . HN rr_1aoo 3
11 3 . 2 . 1 1 3 3 GLU HB3 H . . . . 3 . HB# rr_1aoo 3
12 2 . 1 . 1 1 3 3 GLU H H . . . . 3 . HN rr_1aoo 3
12 2 . 2 . 1 1 3 3 GLU HG2 H . . . . 3 . HG# rr_1aoo 3
12 3 . 1 . 1 1 3 3 GLU H H . . . . 3 . HN rr_1aoo 3
12 3 . 2 . 1 1 3 3 GLU HG3 H . . . . 3 . HG# rr_1aoo 3
13 2 . 1 . 1 1 3 3 GLU HG2 H . . . . 3 . HG# rr_1aoo 3
13 2 . 2 . 1 1 4 4 GLY H H . . . . 4 . HN rr_1aoo 3
13 3 . 1 . 1 1 3 3 GLU HG3 H . . . . 3 . HG# rr_1aoo 3
13 3 . 2 . 1 1 4 4 GLY H H . . . . 4 . HN rr_1aoo 3
14 2 . 1 . 1 1 4 4 GLY HA2 H . . . . 4 . HA# rr_1aoo 3
14 2 . 2 . 1 1 5 5 HIS H H . . . . 5 . HN rr_1aoo 3
14 3 . 1 . 1 1 4 4 GLY HA3 H . . . . 4 . HA# rr_1aoo 3
14 3 . 2 . 1 1 5 5 HIS H H . . . . 5 . HN rr_1aoo 3
15 1 . 1 . 1 1 5 5 HIS HA H . . . . 5 . HA rr_1aoo 3
15 1 . 2 . 1 1 6 6 GLU H H . . . . 6 . HN rr_1aoo 3
16 1 . 1 . 1 1 5 5 HIS H H . . . . 5 . HN rr_1aoo 3
16 1 . 2 . 1 1 6 6 GLU H H . . . . 6 . HN rr_1aoo 3
17 2 . 1 . 1 1 5 5 HIS HB2 H . . . . 5 . HB# rr_1aoo 3
17 2 . 2 . 1 1 6 6 GLU H H . . . . 6 . HN rr_1aoo 3
17 3 . 1 . 1 1 5 5 HIS HB3 H . . . . 5 . HB# rr_1aoo 3
17 3 . 2 . 1 1 6 6 GLU H H . . . . 6 . HN rr_1aoo 3
18 1 . 1 . 1 1 5 5 HIS HD2 H . . . . 5 . HD2 rr_1aoo 3
18 1 . 2 . 1 1 28 28 THR MG H . . . . 28 . HG2# rr_1aoo 3
19 1 . 1 . 1 1 5 5 HIS HE1 H . . . . 5 . HE1 rr_1aoo 3
19 1 . 2 . 1 1 28 28 THR MG H . . . . 28 . HG2# rr_1aoo 3
20 1 . 1 . 1 1 5 5 HIS HE1 H . . . . 5 . HE1 rr_1aoo 3
20 1 . 2 . 1 1 26 26 CYS HB2 H . . . . 26 . HB2 rr_1aoo 3
21 1 . 1 . 1 1 5 5 HIS HE1 H . . . . 5 . HE1 rr_1aoo 3
21 1 . 2 . 1 1 8 8 GLN H H . . . . 8 . HN rr_1aoo 3
22 1 . 1 . 1 1 5 5 HIS HD2 H . . . . 5 . HD2 rr_1aoo 3
22 1 . 2 . 1 1 8 8 GLN H H . . . . 8 . HN rr_1aoo 3
23 1 . 1 . 1 1 5 5 HIS HD2 H . . . . 5 . HD2 rr_1aoo 3
23 1 . 2 . 1 1 25 25 SER HA H . . . . 25 . HA rr_1aoo 3
24 1 . 1 . 1 1 5 5 HIS HE1 H . . . . 5 . HE1 rr_1aoo 3
24 1 . 2 . 1 1 24 24 CYS HB3 H . . . . 24 . HB1 rr_1aoo 3
25 1 . 1 . 1 1 5 5 HIS HE1 H . . . . 5 . HE1 rr_1aoo 3
25 1 . 2 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1aoo 3
26 1 . 1 . 1 1 5 5 HIS H H . . . . 5 . HN rr_1aoo 3
26 1 . 2 . 1 1 23 23 SER HA H . . . . 23 . HA rr_1aoo 3
27 2 . 1 . 1 1 5 5 HIS H H . . . . 5 . HN rr_1aoo 3
27 2 . 2 . 1 1 5 5 HIS HB2 H . . . . 5 . HB# rr_1aoo 3
27 3 . 1 . 1 1 5 5 HIS H H . . . . 5 . HN rr_1aoo 3
27 3 . 2 . 1 1 5 5 HIS HB3 H . . . . 5 . HB# rr_1aoo 3
28 2 . 1 . 1 1 5 5 HIS HD2 H . . . . 5 . HD2 rr_1aoo 3
28 2 . 2 . 1 1 5 5 HIS HB2 H . . . . 5 . HB# rr_1aoo 3
28 3 . 1 . 1 1 5 5 HIS HD2 H . . . . 5 . HD2 rr_1aoo 3
28 3 . 2 . 1 1 5 5 HIS HB3 H . . . . 5 . HB# rr_1aoo 3
29 1 . 1 . 1 1 6 6 GLU HA H . . . . 6 . HA rr_1aoo 3
29 1 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_1aoo 3
30 1 . 1 . 1 1 6 6 GLU H H . . . . 6 . HN rr_1aoo 3
30 1 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_1aoo 3
31 2 . 1 . 1 1 6 6 GLU HB2 H . . . . 6 . HB# rr_1aoo 3
31 2 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_1aoo 3
31 3 . 1 . 1 1 6 6 GLU HB3 H . . . . 6 . HB# rr_1aoo 3
31 3 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_1aoo 3
32 2 . 1 . 1 1 6 6 GLU H H . . . . 6 . HN rr_1aoo 3
32 2 . 2 . 1 1 6 6 GLU HG2 H . . . . 6 . HG# rr_1aoo 3
32 3 . 1 . 1 1 6 6 GLU H H . . . . 6 . HN rr_1aoo 3
32 3 . 2 . 1 1 6 6 GLU HG3 H . . . . 6 . HG# rr_1aoo 3
33 2 . 1 . 1 1 6 6 GLU HB3 H . . . . 6 . HB# rr_1aoo 3
33 2 . 2 . 1 1 8 8 GLN HE22 H . . . . 8 . HE2# rr_1aoo 3
33 3 . 1 . 1 1 6 6 GLU HB2 H . . . . 6 . HB# rr_1aoo 3
33 3 . 2 . 1 1 8 8 GLN HE22 H . . . . 8 . HE2# rr_1aoo 3
33 4 . 1 . 1 1 6 6 GLU HB2 H . . . . 6 . HB# rr_1aoo 3
33 4 . 2 . 1 1 8 8 GLN HE21 H . . . . 8 . HE2# rr_1aoo 3
33 5 . 1 . 1 1 6 6 GLU HB3 H . . . . 6 . HB# rr_1aoo 3
33 5 . 2 . 1 1 8 8 GLN HE21 H . . . . 8 . HE2# rr_1aoo 3
34 2 . 1 . 1 1 7 7 CYS H H . . . . 7 . HN rr_1aoo 3
34 2 . 2 . 1 1 6 6 GLU HG2 H . . . . 6 . HG# rr_1aoo 3
34 3 . 1 . 1 1 7 7 CYS H H . . . . 7 . HN rr_1aoo 3
34 3 . 2 . 1 1 6 6 GLU HG3 H . . . . 6 . HG# rr_1aoo 3
35 2 . 1 . 1 1 7 7 CYS H H . . . . 7 . HN rr_1aoo 3
35 2 . 2 . 1 1 6 6 GLU HB2 H . . . . 6 . HB# rr_1aoo 3
35 3 . 1 . 1 1 7 7 CYS H H . . . . 7 . HN rr_1aoo 3
35 3 . 2 . 1 1 6 6 GLU HB3 H . . . . 6 . HB# rr_1aoo 3
36 1 . 1 . 1 1 7 7 CYS H H . . . . 7 . HN rr_1aoo 3
36 1 . 2 . 1 1 21 21 GLN HA H . . . . 21 . HA rr_1aoo 3
37 1 . 1 . 1 1 7 7 CYS HA H . . . . 7 . HA rr_1aoo 3
37 1 . 2 . 1 1 8 8 GLN H H . . . . 8 . HN rr_1aoo 3
38 1 . 1 . 1 1 7 7 CYS H H . . . . 7 . HN rr_1aoo 3
38 1 . 2 . 1 1 8 8 GLN H H . . . . 8 . HN rr_1aoo 3
39 1 . 1 . 1 1 7 7 CYS HB3 H . . . . 7 . HB1 rr_1aoo 3
39 1 . 2 . 1 1 8 8 GLN H H . . . . 8 . HN rr_1aoo 3
40 1 . 1 . 1 1 7 7 CYS HB2 H . . . . 7 . HB2 rr_1aoo 3
40 1 . 2 . 1 1 8 8 GLN H H . . . . 8 . HN rr_1aoo 3
41 1 . 1 . 1 1 7 7 CYS HB3 H . . . . 7 . HB1 rr_1aoo 3
41 1 . 2 . 1 1 21 21 GLN HA H . . . . 21 . HA rr_1aoo 3
42 1 . 1 . 1 1 7 7 CYS HB3 H . . . . 7 . HB1 rr_1aoo 3
42 1 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_1aoo 3
43 1 . 1 . 1 1 7 7 CYS HB2 H . . . . 7 . HB2 rr_1aoo 3
43 1 . 2 . 1 1 7 7 CYS H H . . . . 7 . HN rr_1aoo 3
44 1 . 1 . 1 1 8 8 GLN HA H . . . . 8 . HA rr_1aoo 3
44 1 . 2 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1aoo 3
45 1 . 1 . 1 1 8 8 GLN H H . . . . 8 . HN rr_1aoo 3
45 1 . 2 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1aoo 3
46 2 . 1 . 1 1 8 8 GLN HB2 H . . . . 8 . HB# rr_1aoo 3
46 2 . 2 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1aoo 3
46 3 . 1 . 1 1 8 8 GLN HB3 H . . . . 8 . HB# rr_1aoo 3
46 3 . 2 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1aoo 3
47 2 . 1 . 1 1 8 8 GLN H H . . . . 8 . HN rr_1aoo 3
47 2 . 2 . 1 1 8 8 GLN HB2 H . . . . 8 . HB# rr_1aoo 3
47 3 . 1 . 1 1 8 8 GLN H H . . . . 8 . HN rr_1aoo 3
47 3 . 2 . 1 1 8 8 GLN HB3 H . . . . 8 . HB# rr_1aoo 3
48 2 . 1 . 1 1 8 8 GLN H H . . . . 8 . HN rr_1aoo 3
48 2 . 2 . 1 1 8 8 GLN HG2 H . . . . 8 . HG# rr_1aoo 3
48 3 . 1 . 1 1 8 8 GLN H H . . . . 8 . HN rr_1aoo 3
48 3 . 2 . 1 1 8 8 GLN HG3 H . . . . 8 . HG# rr_1aoo 3
49 2 . 1 . 1 1 8 8 GLN HE21 H . . . . 8 . HE2# rr_1aoo 3
49 2 . 2 . 1 1 8 8 GLN HG2 H . . . . 8 . HG# rr_1aoo 3
49 3 . 1 . 1 1 8 8 GLN HE22 H . . . . 8 . HE2# rr_1aoo 3
49 3 . 2 . 1 1 8 8 GLN HG2 H . . . . 8 . HG# rr_1aoo 3
49 4 . 1 . 1 1 8 8 GLN HE22 H . . . . 8 . HE2# rr_1aoo 3
49 4 . 2 . 1 1 8 8 GLN HG3 H . . . . 8 . HG# rr_1aoo 3
49 5 . 1 . 1 1 8 8 GLN HE21 H . . . . 8 . HE2# rr_1aoo 3
49 5 . 2 . 1 1 8 8 GLN HG3 H . . . . 8 . HG# rr_1aoo 3
50 2 . 1 . 1 1 8 8 GLN HE22 H . . . . 8 . HE2# rr_1aoo 3
50 2 . 2 . 1 1 28 28 THR MG H . . . . 28 . HG2# rr_1aoo 3
50 3 . 1 . 1 1 8 8 GLN HE21 H . . . . 8 . HE2# rr_1aoo 3
50 3 . 2 . 1 1 28 28 THR MG H . . . . 28 . HG2# rr_1aoo 3
51 1 . 1 . 1 1 8 8 GLN H H . . . . 8 . HN rr_1aoo 3
51 1 . 2 . 1 1 9 9 CYS HB2 H . . . . 9 . HB2 rr_1aoo 3
52 1 . 1 . 1 1 9 9 CYS HA H . . . . 9 . HA rr_1aoo 3
52 1 . 2 . 1 1 10 10 GLN H H . . . . 10 . HN rr_1aoo 3
53 1 . 1 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1aoo 3
53 1 . 2 . 1 1 14 14 CYS HB2 H . . . . 14 . HB2 rr_1aoo 3
54 1 . 1 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1aoo 3
54 1 . 2 . 1 1 14 14 CYS HB3 H . . . . 14 . HB1 rr_1aoo 3
55 1 . 1 . 1 1 9 9 CYS HB2 H . . . . 9 . HB2 rr_1aoo 3
55 1 . 2 . 1 1 14 14 CYS HB3 H . . . . 14 . HB1 rr_1aoo 3
56 1 . 1 . 1 1 9 9 CYS HB2 H . . . . 9 . HB2 rr_1aoo 3
56 1 . 2 . 1 1 14 14 CYS HB2 H . . . . 14 . HB2 rr_1aoo 3
57 1 . 1 . 1 1 9 9 CYS HB2 H . . . . 9 . HB2 rr_1aoo 3
57 1 . 2 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1aoo 3
58 1 . 1 . 1 1 9 9 CYS HB3 H . . . . 9 . HB1 rr_1aoo 3
58 1 . 2 . 1 1 9 9 CYS H H . . . . 9 . HN rr_1aoo 3
59 1 . 1 . 1 1 10 10 GLN HA H . . . . 10 . HA rr_1aoo 3
59 1 . 2 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1aoo 3
60 2 . 1 . 1 1 10 10 GLN HE21 H . . . . 10 . HE2# rr_1aoo 3
60 2 . 2 . 1 1 10 10 GLN HG2 H . . . . 10 . HG# rr_1aoo 3
60 3 . 1 . 1 1 10 10 GLN HE22 H . . . . 10 . HE2# rr_1aoo 3
60 3 . 2 . 1 1 10 10 GLN HG3 H . . . . 10 . HG# rr_1aoo 3
60 4 . 1 . 1 1 10 10 GLN HE21 H . . . . 10 . HE2# rr_1aoo 3
60 4 . 2 . 1 1 10 10 GLN HG3 H . . . . 10 . HG# rr_1aoo 3
60 5 . 1 . 1 1 10 10 GLN HE22 H . . . . 10 . HE2# rr_1aoo 3
60 5 . 2 . 1 1 10 10 GLN HG2 H . . . . 10 . HG# rr_1aoo 3
61 2 . 1 . 1 1 10 10 GLN H H . . . . 10 . HN rr_1aoo 3
61 2 . 2 . 1 1 10 10 GLN HB2 H . . . . 10 . HB# rr_1aoo 3
61 3 . 1 . 1 1 10 10 GLN H H . . . . 10 . HN rr_1aoo 3
61 3 . 2 . 1 1 10 10 GLN HB3 H . . . . 10 . HB# rr_1aoo 3
62 2 . 1 . 1 1 10 10 GLN H H . . . . 10 . HN rr_1aoo 3
62 2 . 2 . 1 1 10 10 GLN HG2 H . . . . 10 . HG# rr_1aoo 3
62 3 . 1 . 1 1 10 10 GLN H H . . . . 10 . HN rr_1aoo 3
62 3 . 2 . 1 1 10 10 GLN HG3 H . . . . 10 . HG# rr_1aoo 3
63 2 . 1 . 1 1 10 10 GLN HE22 H . . . . 10 . HE2# rr_1aoo 3
63 2 . 2 . 1 1 10 10 GLN HA H . . . . 10 . HA rr_1aoo 3
63 3 . 1 . 1 1 10 10 GLN HE21 H . . . . 10 . HE2# rr_1aoo 3
63 3 . 2 . 1 1 10 10 GLN HA H . . . . 10 . HA rr_1aoo 3
64 1 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1aoo 3
64 1 . 2 . 1 1 11 11 CYS HB3 H . . . . 11 . HB1 rr_1aoo 3
65 1 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1aoo 3
65 1 . 2 . 1 1 11 11 CYS HB2 H . . . . 11 . HB2 rr_1aoo 3
66 1 . 1 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1aoo 3
66 1 . 2 . 1 1 12 12 GLY H H . . . . 12 . HN rr_1aoo 3
67 1 . 1 . 1 1 11 11 CYS HA H . . . . 11 . HA rr_1aoo 3
67 1 . 2 . 1 1 13 13 SER H H . . . . 13 . HN rr_1aoo 3
68 1 . 1 . 1 1 11 11 CYS H H . . . . 11 . HN rr_1aoo 3
68 1 . 2 . 1 1 12 12 GLY H H . . . . 12 . HN rr_1aoo 3
69 1 . 1 . 1 1 11 11 CYS HB2 H . . . . 11 . HB2 rr_1aoo 3
69 1 . 2 . 1 1 12 12 GLY H H . . . . 12 . HN rr_1aoo 3
70 1 . 1 . 1 1 11 11 CYS HB2 H . . . . 11 . HB2 rr_1aoo 3
70 1 . 2 . 1 1 13 13 SER H H . . . . 13 . HN rr_1aoo 3
71 1 . 1 . 1 1 11 11 CYS HB2 H . . . . 11 . HB2 rr_1aoo 3
71 1 . 2 . 1 1 14 14 CYS H H . . . . 14 . HN rr_1aoo 3
72 2 . 1 . 1 1 12 12 GLY HA2 H . . . . 12 . HA# rr_1aoo 3
72 2 . 2 . 1 1 13 13 SER H H . . . . 13 . HN rr_1aoo 3
72 3 . 1 . 1 1 12 12 GLY HA3 H . . . . 12 . HA# rr_1aoo 3
72 3 . 2 . 1 1 13 13 SER H H . . . . 13 . HN rr_1aoo 3
73 2 . 1 . 1 1 12 12 GLY HA2 H . . . . 12 . HA# rr_1aoo 3
73 2 . 2 . 1 1 14 14 CYS H H . . . . 14 . HN rr_1aoo 3
73 3 . 1 . 1 1 12 12 GLY HA3 H . . . . 12 . HA# rr_1aoo 3
73 3 . 2 . 1 1 14 14 CYS H H . . . . 14 . HN rr_1aoo 3
74 1 . 1 . 1 1 12 12 GLY H H . . . . 12 . HN rr_1aoo 3
74 1 . 2 . 1 1 13 13 SER H H . . . . 13 . HN rr_1aoo 3
75 1 . 1 . 1 1 12 12 GLY H H . . . . 12 . HN rr_1aoo 3
75 1 . 2 . 1 1 14 14 CYS H H . . . . 14 . HN rr_1aoo 3
76 2 . 1 . 1 1 12 12 GLY H H . . . . 12 . HN rr_1aoo 3
76 2 . 2 . 1 1 15 15 LYS HD2 H . . . . 15 . HD# rr_1aoo 3
76 3 . 1 . 1 1 12 12 GLY H H . . . . 12 . HN rr_1aoo 3
76 3 . 2 . 1 1 15 15 LYS HD3 H . . . . 15 . HD# rr_1aoo 3
77 2 . 1 . 1 1 12 12 GLY H H . . . . 12 . HN rr_1aoo 3
77 2 . 2 . 1 1 15 15 LYS HG2 H . . . . 15 . HG# rr_1aoo 3
77 3 . 1 . 1 1 12 12 GLY H H . . . . 12 . HN rr_1aoo 3
77 3 . 2 . 1 1 15 15 LYS HG3 H . . . . 15 . HG# rr_1aoo 3
78 2 . 1 . 1 1 12 12 GLY H H . . . . 12 . HN rr_1aoo 3
78 2 . 2 . 1 1 15 15 LYS HB2 H . . . . 15 . HB# rr_1aoo 3
78 3 . 1 . 1 1 12 12 GLY H H . . . . 12 . HN rr_1aoo 3
78 3 . 2 . 1 1 15 15 LYS HB3 H . . . . 15 . HB# rr_1aoo 3
79 1 . 1 . 1 1 13 13 SER HA H . . . . 13 . HA rr_1aoo 3
79 1 . 2 . 1 1 14 14 CYS H H . . . . 14 . HN rr_1aoo 3
80 1 . 1 . 1 1 13 13 SER H H . . . . 13 . HN rr_1aoo 3
80 1 . 2 . 1 1 14 14 CYS H H . . . . 14 . HN rr_1aoo 3
81 1 . 1 . 1 1 13 13 SER H H . . . . 13 . HN rr_1aoo 3
81 1 . 2 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1aoo 3
82 2 . 1 . 1 1 13 13 SER HB2 H . . . . 13 . HB# rr_1aoo 3
82 2 . 2 . 1 1 14 14 CYS H H . . . . 14 . HN rr_1aoo 3
82 3 . 1 . 1 1 13 13 SER HB3 H . . . . 13 . HB# rr_1aoo 3
82 3 . 2 . 1 1 14 14 CYS H H . . . . 14 . HN rr_1aoo 3
83 1 . 1 . 1 1 14 14 CYS HA H . . . . 14 . HA rr_1aoo 3
83 1 . 2 . 1 1 16 16 ASN H H . . . . 16 . HN rr_1aoo 3
84 1 . 1 . 1 1 14 14 CYS H H . . . . 14 . HN rr_1aoo 3
84 1 . 2 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1aoo 3
85 1 . 1 . 1 1 14 14 CYS HB3 H . . . . 14 . HB1 rr_1aoo 3
85 1 . 2 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1aoo 3
86 1 . 1 . 1 1 14 14 CYS HB2 H . . . . 14 . HB2 rr_1aoo 3
86 1 . 2 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1aoo 3
87 1 . 1 . 1 1 14 14 CYS H H . . . . 14 . HN rr_1aoo 3
87 1 . 2 . 1 1 14 14 CYS HB3 H . . . . 14 . HB1 rr_1aoo 3
88 1 . 1 . 1 1 14 14 CYS H H . . . . 14 . HN rr_1aoo 3
88 1 . 2 . 1 1 14 14 CYS HB2 H . . . . 14 . HB2 rr_1aoo 3
89 1 . 1 . 1 1 15 15 LYS HA H . . . . 15 . HA rr_1aoo 3
89 1 . 2 . 1 1 16 16 ASN H H . . . . 16 . HN rr_1aoo 3
90 1 . 1 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1aoo 3
90 1 . 2 . 1 1 16 16 ASN H H . . . . 16 . HN rr_1aoo 3
91 2 . 1 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1aoo 3
91 2 . 2 . 1 1 15 15 LYS HB2 H . . . . 15 . HB# rr_1aoo 3
91 3 . 1 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1aoo 3
91 3 . 2 . 1 1 15 15 LYS HB3 H . . . . 15 . HB# rr_1aoo 3
92 2 . 1 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1aoo 3
92 2 . 2 . 1 1 15 15 LYS HG2 H . . . . 15 . HG# rr_1aoo 3
92 3 . 1 . 1 1 15 15 LYS H H . . . . 15 . HN rr_1aoo 3
92 3 . 2 . 1 1 15 15 LYS HG3 H . . . . 15 . HG# rr_1aoo 3
93 2 . 1 . 1 1 15 15 LYS HE3 H . . . . 15 . HE# rr_1aoo 3
93 2 . 2 . 1 1 16 16 ASN HD22 H . . . . 16 . HD2# rr_1aoo 3
93 3 . 1 . 1 1 15 15 LYS HE2 H . . . . 15 . HE# rr_1aoo 3
93 3 . 2 . 1 1 16 16 ASN HD21 H . . . . 16 . HD2# rr_1aoo 3
93 4 . 1 . 1 1 15 15 LYS HE3 H . . . . 15 . HE# rr_1aoo 3
93 4 . 2 . 1 1 16 16 ASN HD21 H . . . . 16 . HD2# rr_1aoo 3
93 5 . 1 . 1 1 15 15 LYS HE2 H . . . . 15 . HE# rr_1aoo 3
93 5 . 2 . 1 1 16 16 ASN HD22 H . . . . 16 . HD2# rr_1aoo 3
94 2 . 1 . 1 1 15 15 LYS HG2 H . . . . 15 . HG# rr_1aoo 3
94 2 . 2 . 1 1 16 16 ASN HD22 H . . . . 16 . HD2# rr_1aoo 3
94 3 . 1 . 1 1 15 15 LYS HG3 H . . . . 15 . HG# rr_1aoo 3
94 3 . 2 . 1 1 16 16 ASN HD22 H . . . . 16 . HD2# rr_1aoo 3
94 4 . 1 . 1 1 15 15 LYS HG2 H . . . . 15 . HG# rr_1aoo 3
94 4 . 2 . 1 1 16 16 ASN HD21 H . . . . 16 . HD2# rr_1aoo 3
94 5 . 1 . 1 1 15 15 LYS HG3 H . . . . 15 . HG# rr_1aoo 3
94 5 . 2 . 1 1 16 16 ASN HD21 H . . . . 16 . HD2# rr_1aoo 3
95 1 . 1 . 1 1 17 17 ASN HA H . . . . 17 . HA rr_1aoo 3
95 1 . 2 . 1 1 18 18 GLU H H . . . . 18 . HN rr_1aoo 3
96 1 . 1 . 1 1 17 17 ASN HA H . . . . 17 . HA rr_1aoo 3
96 1 . 2 . 1 1 19 19 GLN H H . . . . 19 . HN rr_1aoo 3
97 1 . 1 . 1 1 17 17 ASN H H . . . . 17 . HN rr_1aoo 3
97 1 . 2 . 1 1 18 18 GLU H H . . . . 18 . HN rr_1aoo 3
98 2 . 1 . 1 1 17 17 ASN HB2 H . . . . 17 . HB# rr_1aoo 3
98 2 . 2 . 1 1 18 18 GLU H H . . . . 18 . HN rr_1aoo 3
98 3 . 1 . 1 1 17 17 ASN HB3 H . . . . 17 . HB# rr_1aoo 3
98 3 . 2 . 1 1 18 18 GLU H H . . . . 18 . HN rr_1aoo 3
99 2 . 1 . 1 1 16 16 ASN HD22 H . . . . 16 . HD2# rr_1aoo 3
99 2 . 2 . 1 1 16 16 ASN HB2 H . . . . 16 . HB# rr_1aoo 3
99 3 . 1 . 1 1 16 16 ASN HD22 H . . . . 16 . HD2# rr_1aoo 3
99 3 . 2 . 1 1 16 16 ASN HB3 H . . . . 16 . HB# rr_1aoo 3
99 4 . 1 . 1 1 16 16 ASN HD21 H . . . . 16 . HD2# rr_1aoo 3
99 4 . 2 . 1 1 16 16 ASN HB2 H . . . . 16 . HB# rr_1aoo 3
99 5 . 1 . 1 1 16 16 ASN HD21 H . . . . 16 . HD2# rr_1aoo 3
99 5 . 2 . 1 1 16 16 ASN HB3 H . . . . 16 . HB# rr_1aoo 3
100 1 . 1 . 1 1 18 18 GLU HA H . . . . 18 . HA rr_1aoo 3
100 1 . 2 . 1 1 19 19 GLN H H . . . . 19 . HN rr_1aoo 3
101 1 . 1 . 1 1 18 18 GLU HA H . . . . 18 . HA rr_1aoo 3
101 1 . 2 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1aoo 3
102 1 . 1 . 1 1 18 18 GLU HA H . . . . 18 . HA rr_1aoo 3
102 1 . 2 . 1 1 21 21 GLN H H . . . . 21 . HN rr_1aoo 3
103 1 . 1 . 1 1 18 18 GLU H H . . . . 18 . HN rr_1aoo 3
103 1 . 2 . 1 1 19 19 GLN H H . . . . 19 . HN rr_1aoo 3
104 2 . 1 . 1 1 18 18 GLU H H . . . . 18 . HN rr_1aoo 3
104 2 . 2 . 1 1 18 18 GLU HB2 H . . . . 18 . HB# rr_1aoo 3
104 3 . 1 . 1 1 18 18 GLU H H . . . . 18 . HN rr_1aoo 3
104 3 . 2 . 1 1 18 18 GLU HB3 H . . . . 18 . HB# rr_1aoo 3
105 2 . 1 . 1 1 18 18 GLU H H . . . . 18 . HN rr_1aoo 3
105 2 . 2 . 1 1 18 18 GLU HG2 H . . . . 18 . HG# rr_1aoo 3
105 3 . 1 . 1 1 18 18 GLU H H . . . . 18 . HN rr_1aoo 3
105 3 . 2 . 1 1 18 18 GLU HG3 H . . . . 18 . HG# rr_1aoo 3
106 2 . 1 . 1 1 18 18 GLU HA H . . . . 18 . HA rr_1aoo 3
106 2 . 2 . 1 1 21 21 GLN HG2 H . . . . 21 . HG# rr_1aoo 3
106 3 . 1 . 1 1 18 18 GLU HA H . . . . 18 . HA rr_1aoo 3
106 3 . 2 . 1 1 21 21 GLN HG3 H . . . . 21 . HG# rr_1aoo 3
107 1 . 1 . 1 1 19 19 GLN HA H . . . . 19 . HA rr_1aoo 3
107 1 . 2 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1aoo 3
108 1 . 1 . 1 1 19 19 GLN H H . . . . 19 . HN rr_1aoo 3
108 1 . 2 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1aoo 3
109 1 . 1 . 1 1 19 19 GLN H H . . . . 19 . HN rr_1aoo 3
109 1 . 2 . 1 1 21 21 GLN H H . . . . 21 . HN rr_1aoo 3
110 2 . 1 . 1 1 19 19 GLN HB2 H . . . . 19 . HB# rr_1aoo 3
110 2 . 2 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1aoo 3
110 3 . 1 . 1 1 19 19 GLN HB3 H . . . . 19 . HB# rr_1aoo 3
110 3 . 2 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1aoo 3
111 2 . 1 . 1 1 19 19 GLN HE21 H . . . . 19 . HE2# rr_1aoo 3
111 2 . 2 . 1 1 19 19 GLN HG2 H . . . . 19 . HG# rr_1aoo 3
111 3 . 1 . 1 1 19 19 GLN HE22 H . . . . 19 . HE2# rr_1aoo 3
111 3 . 2 . 1 1 19 19 GLN HG2 H . . . . 19 . HG# rr_1aoo 3
111 4 . 1 . 1 1 19 19 GLN HE22 H . . . . 19 . HE2# rr_1aoo 3
111 4 . 2 . 1 1 19 19 GLN HG3 H . . . . 19 . HG# rr_1aoo 3
111 5 . 1 . 1 1 19 19 GLN HE21 H . . . . 19 . HE2# rr_1aoo 3
111 5 . 2 . 1 1 19 19 GLN HG3 H . . . . 19 . HG# rr_1aoo 3
112 2 . 1 . 1 1 19 19 GLN H H . . . . 19 . HN rr_1aoo 3
112 2 . 2 . 1 1 19 19 GLN HB2 H . . . . 19 . HB# rr_1aoo 3
112 3 . 1 . 1 1 19 19 GLN H H . . . . 19 . HN rr_1aoo 3
112 3 . 2 . 1 1 19 19 GLN HB3 H . . . . 19 . HB# rr_1aoo 3
113 2 . 1 . 1 1 19 19 GLN H H . . . . 19 . HN rr_1aoo 3
113 2 . 2 . 1 1 19 19 GLN HG2 H . . . . 19 . HG# rr_1aoo 3
113 3 . 1 . 1 1 19 19 GLN H H . . . . 19 . HN rr_1aoo 3
113 3 . 2 . 1 1 19 19 GLN HG3 H . . . . 19 . HG# rr_1aoo 3
114 1 . 1 . 1 1 20 20 CYS HA H . . . . 20 . HA rr_1aoo 3
114 1 . 2 . 1 1 21 21 GLN H H . . . . 21 . HN rr_1aoo 3
115 1 . 1 . 1 1 20 20 CYS HA H . . . . 20 . HA rr_1aoo 3
115 1 . 2 . 1 1 23 23 SER H H . . . . 23 . HN rr_1aoo 3
116 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1aoo 3
116 1 . 2 . 1 1 21 21 GLN H H . . . . 21 . HN rr_1aoo 3
117 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1aoo 3
117 1 . 2 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1aoo 3
118 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1aoo 3
118 1 . 2 . 1 1 20 20 CYS HB3 H . . . . 20 . HB1 rr_1aoo 3
119 1 . 1 . 1 1 20 20 CYS H H . . . . 20 . HN rr_1aoo 3
119 1 . 2 . 1 1 20 20 CYS HB2 H . . . . 20 . HB2 rr_1aoo 3
120 1 . 1 . 1 1 21 21 GLN HA H . . . . 21 . HA rr_1aoo 3
120 1 . 2 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1aoo 3
121 1 . 1 . 1 1 21 21 GLN H H . . . . 21 . HN rr_1aoo 3
121 1 . 2 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1aoo 3
122 2 . 1 . 1 1 21 21 GLN HB2 H . . . . 21 . HB# rr_1aoo 3
122 2 . 2 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1aoo 3
122 3 . 1 . 1 1 21 21 GLN HB3 H . . . . 21 . HB# rr_1aoo 3
122 3 . 2 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1aoo 3
123 2 . 1 . 1 1 21 21 GLN HE21 H . . . . 21 . HE2# rr_1aoo 3
123 2 . 2 . 1 1 21 21 GLN HG2 H . . . . 21 . HG# rr_1aoo 3
123 3 . 1 . 1 1 21 21 GLN HE22 H . . . . 21 . HE2# rr_1aoo 3
123 3 . 2 . 1 1 21 21 GLN HG2 H . . . . 21 . HG# rr_1aoo 3
123 4 . 1 . 1 1 21 21 GLN HE22 H . . . . 21 . HE2# rr_1aoo 3
123 4 . 2 . 1 1 21 21 GLN HG3 H . . . . 21 . HG# rr_1aoo 3
123 5 . 1 . 1 1 21 21 GLN HE21 H . . . . 21 . HE2# rr_1aoo 3
123 5 . 2 . 1 1 21 21 GLN HG3 H . . . . 21 . HG# rr_1aoo 3
124 2 . 1 . 1 1 21 21 GLN HE22 H . . . . 21 . HE2# rr_1aoo 3
124 2 . 2 . 1 1 21 21 GLN HA H . . . . 21 . HA rr_1aoo 3
124 3 . 1 . 1 1 21 21 GLN HE21 H . . . . 21 . HE2# rr_1aoo 3
124 3 . 2 . 1 1 21 21 GLN HA H . . . . 21 . HA rr_1aoo 3
125 2 . 1 . 1 1 21 21 GLN H H . . . . 21 . HN rr_1aoo 3
125 2 . 2 . 1 1 22 22 LYS HD2 H . . . . 22 . HD# rr_1aoo 3
125 3 . 1 . 1 1 21 21 GLN H H . . . . 21 . HN rr_1aoo 3
125 3 . 2 . 1 1 22 22 LYS HD3 H . . . . 22 . HD# rr_1aoo 3
126 2 . 1 . 1 1 21 21 GLN H H . . . . 21 . HN rr_1aoo 3
126 2 . 2 . 1 1 21 21 GLN HB2 H . . . . 21 . HB# rr_1aoo 3
126 3 . 1 . 1 1 21 21 GLN H H . . . . 21 . HN rr_1aoo 3
126 3 . 2 . 1 1 21 21 GLN HB3 H . . . . 21 . HB# rr_1aoo 3
127 2 . 1 . 1 1 21 21 GLN H H . . . . 21 . HN rr_1aoo 3
127 2 . 2 . 1 1 21 21 GLN HG2 H . . . . 21 . HG# rr_1aoo 3
127 3 . 1 . 1 1 21 21 GLN H H . . . . 21 . HN rr_1aoo 3
127 3 . 2 . 1 1 21 21 GLN HG3 H . . . . 21 . HG# rr_1aoo 3
128 1 . 1 . 1 1 22 22 LYS HA H . . . . 22 . HA rr_1aoo 3
128 1 . 2 . 1 1 23 23 SER H H . . . . 23 . HN rr_1aoo 3
129 1 . 1 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1aoo 3
129 1 . 2 . 1 1 23 23 SER H H . . . . 23 . HN rr_1aoo 3
130 2 . 1 . 1 1 22 22 LYS HB2 H . . . . 22 . HB# rr_1aoo 3
130 2 . 2 . 1 1 23 23 SER H H . . . . 23 . HN rr_1aoo 3
130 3 . 1 . 1 1 22 22 LYS HB3 H . . . . 22 . HB# rr_1aoo 3
130 3 . 2 . 1 1 23 23 SER H H . . . . 23 . HN rr_1aoo 3
131 2 . 1 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1aoo 3
131 2 . 2 . 1 1 22 22 LYS HB2 H . . . . 22 . HB# rr_1aoo 3
131 3 . 1 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1aoo 3
131 3 . 2 . 1 1 22 22 LYS HB3 H . . . . 22 . HB# rr_1aoo 3
132 2 . 1 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1aoo 3
132 2 . 2 . 1 1 22 22 LYS HG2 H . . . . 22 . HG# rr_1aoo 3
132 3 . 1 . 1 1 22 22 LYS H H . . . . 22 . HN rr_1aoo 3
132 3 . 2 . 1 1 22 22 LYS HG3 H . . . . 22 . HG# rr_1aoo 3
133 1 . 1 . 1 1 23 23 SER HA H . . . . 23 . HA rr_1aoo 3
133 1 . 2 . 1 1 24 24 CYS H H . . . . 24 . HN rr_1aoo 3
134 1 . 1 . 1 1 23 23 SER H H . . . . 23 . HN rr_1aoo 3
134 1 . 2 . 1 1 24 24 CYS H H . . . . 24 . HN rr_1aoo 3
135 2 . 1 . 1 1 23 23 SER HB2 H . . . . 23 . HB# rr_1aoo 3
135 2 . 2 . 1 1 24 24 CYS H H . . . . 24 . HN rr_1aoo 3
135 3 . 1 . 1 1 23 23 SER HB3 H . . . . 23 . HB# rr_1aoo 3
135 3 . 2 . 1 1 24 24 CYS H H . . . . 24 . HN rr_1aoo 3
136 2 . 1 . 1 1 23 23 SER HB2 H . . . . 23 . HB# rr_1aoo 3
136 2 . 2 . 1 1 40 40 ASN HD22 H . . . . 40 . HD2# rr_1aoo 3
136 3 . 1 . 1 1 23 23 SER HB3 H . . . . 23 . HB# rr_1aoo 3
136 3 . 2 . 1 1 40 40 ASN HD22 H . . . . 40 . HD2# rr_1aoo 3
136 4 . 1 . 1 1 23 23 SER HB2 H . . . . 23 . HB# rr_1aoo 3
136 4 . 2 . 1 1 40 40 ASN HD21 H . . . . 40 . HD2# rr_1aoo 3
136 5 . 1 . 1 1 23 23 SER HB3 H . . . . 23 . HB# rr_1aoo 3
136 5 . 2 . 1 1 40 40 ASN HD21 H . . . . 40 . HD2# rr_1aoo 3
137 2 . 1 . 1 1 23 23 SER H H . . . . 23 . HN rr_1aoo 3
137 2 . 2 . 1 1 23 23 SER HB2 H . . . . 23 . HB# rr_1aoo 3
137 3 . 1 . 1 1 23 23 SER H H . . . . 23 . HN rr_1aoo 3
137 3 . 2 . 1 1 23 23 SER HB3 H . . . . 23 . HB# rr_1aoo 3
138 1 . 1 . 1 1 24 24 CYS HA H . . . . 24 . HA rr_1aoo 3
138 1 . 2 . 1 1 25 25 SER H H . . . . 25 . HN rr_1aoo 3
139 1 . 1 . 1 1 24 24 CYS HA H . . . . 24 . HA rr_1aoo 3
139 1 . 2 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1aoo 3
140 1 . 1 . 1 1 24 24 CYS H H . . . . 24 . HN rr_1aoo 3
140 1 . 2 . 1 1 24 24 CYS HB3 H . . . . 24 . HB1 rr_1aoo 3
141 1 . 1 . 1 1 24 24 CYS H H . . . . 24 . HN rr_1aoo 3
141 1 . 2 . 1 1 24 24 CYS HB2 H . . . . 24 . HB2 rr_1aoo 3
142 1 . 1 . 1 1 24 24 CYS HB3 H . . . . 24 . HB1 rr_1aoo 3
142 1 . 2 . 1 1 25 25 SER H H . . . . 25 . HN rr_1aoo 3
143 1 . 1 . 1 1 25 25 SER HA H . . . . 25 . HA rr_1aoo 3
143 1 . 2 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1aoo 3
144 1 . 1 . 1 1 25 25 SER H H . . . . 25 . HN rr_1aoo 3
144 1 . 2 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1aoo 3
145 2 . 1 . 1 1 25 25 SER HB2 H . . . . 25 . HB# rr_1aoo 3
145 2 . 2 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1aoo 3
145 3 . 1 . 1 1 25 25 SER HB3 H . . . . 25 . HB# rr_1aoo 3
145 3 . 2 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1aoo 3
146 2 . 1 . 1 1 25 25 SER H H . . . . 25 . HN rr_1aoo 3
146 2 . 2 . 1 1 25 25 SER HB2 H . . . . 25 . HB# rr_1aoo 3
146 3 . 1 . 1 1 25 25 SER H H . . . . 25 . HN rr_1aoo 3
146 3 . 2 . 1 1 25 25 SER HB3 H . . . . 25 . HB# rr_1aoo 3
147 1 . 1 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1aoo 3
147 1 . 2 . 1 1 26 26 CYS HB3 H . . . . 26 . HB1 rr_1aoo 3
148 1 . 1 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1aoo 3
148 1 . 2 . 1 1 26 26 CYS HB2 H . . . . 26 . HB2 rr_1aoo 3
149 2 . 1 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1aoo 3
149 2 . 2 . 1 1 27 27 PRO HD2 H . . . . 27 . HD# rr_1aoo 3
149 3 . 1 . 1 1 26 26 CYS H H . . . . 26 . HN rr_1aoo 3
149 3 . 2 . 1 1 27 27 PRO HD3 H . . . . 27 . HD# rr_1aoo 3
150 1 . 1 . 1 1 26 26 CYS HB3 H . . . . 26 . HB1 rr_1aoo 3
150 1 . 2 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
151 1 . 1 . 1 1 27 27 PRO HA H . . . . 27 . HA rr_1aoo 3
151 1 . 2 . 1 1 28 28 THR H H . . . . 28 . HN rr_1aoo 3
152 1 . 1 . 1 1 27 27 PRO HA H . . . . 27 . HA rr_1aoo 3
152 1 . 2 . 1 1 29 29 GLY H H . . . . 29 . HN rr_1aoo 3
153 1 . 1 . 1 1 27 27 PRO HA H . . . . 27 . HA rr_1aoo 3
153 1 . 2 . 1 1 28 28 THR HA H . . . . 28 . HA rr_1aoo 3
154 1 . 1 . 1 1 27 27 PRO HA H . . . . 27 . HA rr_1aoo 3
154 1 . 2 . 1 1 28 28 THR MG H . . . . 28 . HG2# rr_1aoo 3
155 2 . 1 . 1 1 27 27 PRO HB2 H . . . . 27 . HB# rr_1aoo 3
155 2 . 2 . 1 1 28 28 THR H H . . . . 28 . HN rr_1aoo 3
155 3 . 1 . 1 1 27 27 PRO HB3 H . . . . 27 . HB# rr_1aoo 3
155 3 . 2 . 1 1 28 28 THR H H . . . . 28 . HN rr_1aoo 3
156 2 . 1 . 1 1 27 27 PRO HG2 H . . . . 27 . HG# rr_1aoo 3
156 2 . 2 . 1 1 28 28 THR H H . . . . 28 . HN rr_1aoo 3
156 3 . 1 . 1 1 27 27 PRO HG3 H . . . . 27 . HG# rr_1aoo 3
156 3 . 2 . 1 1 28 28 THR H H . . . . 28 . HN rr_1aoo 3
157 2 . 1 . 1 1 27 27 PRO HD2 H . . . . 27 . HD# rr_1aoo 3
157 2 . 2 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
157 3 . 1 . 1 1 27 27 PRO HD3 H . . . . 27 . HD# rr_1aoo 3
157 3 . 2 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
158 2 . 1 . 1 1 27 27 PRO HD2 H . . . . 27 . HD# rr_1aoo 3
158 2 . 2 . 1 1 30 30 CYS HB3 H . . . . 30 . HB# rr_1aoo 3
158 3 . 1 . 1 1 27 27 PRO HD3 H . . . . 27 . HD# rr_1aoo 3
158 3 . 2 . 1 1 30 30 CYS HB3 H . . . . 30 . HB# rr_1aoo 3
158 4 . 1 . 1 1 27 27 PRO HD2 H . . . . 27 . HD# rr_1aoo 3
158 4 . 2 . 1 1 30 30 CYS HB2 H . . . . 30 . HB# rr_1aoo 3
158 5 . 1 . 1 1 27 27 PRO HD3 H . . . . 27 . HD# rr_1aoo 3
158 5 . 2 . 1 1 30 30 CYS HB2 H . . . . 30 . HB# rr_1aoo 3
159 2 . 1 . 1 1 27 27 PRO HG2 H . . . . 27 . HG# rr_1aoo 3
159 2 . 2 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
159 3 . 1 . 1 1 27 27 PRO HG3 H . . . . 27 . HG# rr_1aoo 3
159 3 . 2 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
160 2 . 1 . 1 1 27 27 PRO HB2 H . . . . 27 . HB# rr_1aoo 3
160 2 . 2 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
160 3 . 1 . 1 1 27 27 PRO HB3 H . . . . 27 . HB# rr_1aoo 3
160 3 . 2 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
161 1 . 1 . 1 1 28 28 THR HA H . . . . 28 . HA rr_1aoo 3
161 1 . 2 . 1 1 29 29 GLY H H . . . . 29 . HN rr_1aoo 3
162 1 . 1 . 1 1 28 28 THR HA H . . . . 28 . HA rr_1aoo 3
162 1 . 2 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
163 1 . 1 . 1 1 28 28 THR H H . . . . 28 . HN rr_1aoo 3
163 1 . 2 . 1 1 29 29 GLY H H . . . . 29 . HN rr_1aoo 3
164 1 . 1 . 1 1 28 28 THR H H . . . . 28 . HN rr_1aoo 3
164 1 . 2 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
165 1 . 1 . 1 1 28 28 THR MG H . . . . 28 . HG2# rr_1aoo 3
165 1 . 2 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
166 1 . 1 . 1 1 28 28 THR MG H . . . . 28 . HG2# rr_1aoo 3
166 1 . 2 . 1 1 29 29 GLY H H . . . . 29 . HN rr_1aoo 3
167 1 . 1 . 1 1 28 28 THR H H . . . . 28 . HN rr_1aoo 3
167 1 . 2 . 1 1 28 28 THR HB H . . . . 28 . HB rr_1aoo 3
168 1 . 1 . 1 1 28 28 THR H H . . . . 28 . HN rr_1aoo 3
168 1 . 2 . 1 1 28 28 THR MG H . . . . 28 . HG2# rr_1aoo 3
169 2 . 1 . 1 1 29 29 GLY HA2 H . . . . 29 . HA# rr_1aoo 3
169 2 . 2 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
169 3 . 1 . 1 1 29 29 GLY HA3 H . . . . 29 . HA# rr_1aoo 3
169 3 . 2 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
170 2 . 1 . 1 1 29 29 GLY HA3 H . . . . 29 . HA# rr_1aoo 3
170 2 . 2 . 1 1 31 31 ASN HD22 H . . . . 31 . HD2# rr_1aoo 3
170 3 . 1 . 1 1 29 29 GLY HA2 H . . . . 29 . HA# rr_1aoo 3
170 3 . 2 . 1 1 31 31 ASN HD22 H . . . . 31 . HD2# rr_1aoo 3
170 4 . 1 . 1 1 29 29 GLY HA2 H . . . . 29 . HA# rr_1aoo 3
170 4 . 2 . 1 1 31 31 ASN HD21 H . . . . 31 . HD2# rr_1aoo 3
170 5 . 1 . 1 1 29 29 GLY HA3 H . . . . 29 . HA# rr_1aoo 3
170 5 . 2 . 1 1 31 31 ASN HD21 H . . . . 31 . HD2# rr_1aoo 3
171 1 . 1 . 1 1 29 29 GLY H H . . . . 29 . HN rr_1aoo 3
171 1 . 2 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
172 1 . 1 . 1 1 30 30 CYS HA H . . . . 30 . HA rr_1aoo 3
172 1 . 2 . 1 1 31 31 ASN H H . . . . 31 . HN rr_1aoo 3
173 1 . 1 . 1 1 30 30 CYS HA H . . . . 30 . HA rr_1aoo 3
173 1 . 2 . 1 1 32 32 SER H H . . . . 32 . HN rr_1aoo 3
174 1 . 1 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
174 1 . 2 . 1 1 31 31 ASN H H . . . . 31 . HN rr_1aoo 3
175 1 . 1 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
175 1 . 2 . 1 1 30 30 CYS HB3 H . . . . 30 . HB1 rr_1aoo 3
176 1 . 1 . 1 1 30 30 CYS H H . . . . 30 . HN rr_1aoo 3
176 1 . 2 . 1 1 30 30 CYS HB2 H . . . . 30 . HB2 rr_1aoo 3
177 1 . 1 . 1 1 30 30 CYS HB2 H . . . . 30 . HB2 rr_1aoo 3
177 1 . 2 . 1 1 31 31 ASN H H . . . . 31 . HN rr_1aoo 3
178 1 . 1 . 1 1 31 31 ASN H H . . . . 31 . HN rr_1aoo 3
178 1 . 2 . 1 1 32 32 SER H H . . . . 32 . HN rr_1aoo 3
179 2 . 1 . 1 1 31 31 ASN HB2 H . . . . 31 . HB# rr_1aoo 3
179 2 . 2 . 1 1 32 32 SER H H . . . . 32 . HN rr_1aoo 3
179 3 . 1 . 1 1 31 31 ASN HB3 H . . . . 31 . HB# rr_1aoo 3
179 3 . 2 . 1 1 32 32 SER H H . . . . 32 . HN rr_1aoo 3
180 2 . 1 . 1 1 31 31 ASN H H . . . . 31 . HN rr_1aoo 3
180 2 . 2 . 1 1 31 31 ASN HB2 H . . . . 31 . HB# rr_1aoo 3
180 3 . 1 . 1 1 31 31 ASN H H . . . . 31 . HN rr_1aoo 3
180 3 . 2 . 1 1 31 31 ASN HB3 H . . . . 31 . HB# rr_1aoo 3
181 2 . 1 . 1 1 31 31 ASN H H . . . . 31 . HN rr_1aoo 3
181 2 . 2 . 1 1 32 32 SER HB2 H . . . . 32 . HB# rr_1aoo 3
181 3 . 1 . 1 1 31 31 ASN H H . . . . 31 . HN rr_1aoo 3
181 3 . 2 . 1 1 32 32 SER HB3 H . . . . 32 . HB# rr_1aoo 3
182 2 . 1 . 1 1 31 31 ASN H H . . . . 31 . HN rr_1aoo 3
182 2 . 2 . 1 1 31 31 ASN HD22 H . . . . 31 . HD2# rr_1aoo 3
182 3 . 1 . 1 1 31 31 ASN H H . . . . 31 . HN rr_1aoo 3
182 3 . 2 . 1 1 31 31 ASN HD21 H . . . . 31 . HD2# rr_1aoo 3
183 2 . 1 . 1 1 31 31 ASN HB3 H . . . . 31 . HB# rr_1aoo 3
183 2 . 2 . 1 1 31 31 ASN HD22 H . . . . 31 . HD2# rr_1aoo 3
183 3 . 1 . 1 1 31 31 ASN HB2 H . . . . 31 . HB# rr_1aoo 3
183 3 . 2 . 1 1 31 31 ASN HD21 H . . . . 31 . HD2# rr_1aoo 3
183 4 . 1 . 1 1 31 31 ASN HB3 H . . . . 31 . HB# rr_1aoo 3
183 4 . 2 . 1 1 31 31 ASN HD21 H . . . . 31 . HD2# rr_1aoo 3
183 5 . 1 . 1 1 31 31 ASN HB2 H . . . . 31 . HB# rr_1aoo 3
183 5 . 2 . 1 1 31 31 ASN HD22 H . . . . 31 . HD2# rr_1aoo 3
184 1 . 1 . 1 1 32 32 SER HA H . . . . 32 . HA rr_1aoo 3
184 1 . 2 . 1 1 33 33 ASP H H . . . . 33 . HN rr_1aoo 3
185 1 . 1 . 1 1 32 32 SER HA H . . . . 32 . HA rr_1aoo 3
185 1 . 2 . 1 1 34 34 ASP H H . . . . 34 . HN rr_1aoo 3
186 1 . 1 . 1 1 32 32 SER H H . . . . 32 . HN rr_1aoo 3
186 1 . 2 . 1 1 33 33 ASP H H . . . . 33 . HN rr_1aoo 3
187 2 . 1 . 1 1 32 32 SER HB2 H . . . . 32 . HB# rr_1aoo 3
187 2 . 2 . 1 1 33 33 ASP H H . . . . 33 . HN rr_1aoo 3
187 3 . 1 . 1 1 32 32 SER HB3 H . . . . 32 . HB# rr_1aoo 3
187 3 . 2 . 1 1 33 33 ASP H H . . . . 33 . HN rr_1aoo 3
188 2 . 1 . 1 1 32 32 SER HB2 H . . . . 32 . HB# rr_1aoo 3
188 2 . 2 . 1 1 34 34 ASP H H . . . . 34 . HN rr_1aoo 3
188 3 . 1 . 1 1 32 32 SER HB3 H . . . . 32 . HB# rr_1aoo 3
188 3 . 2 . 1 1 34 34 ASP H H . . . . 34 . HN rr_1aoo 3
189 2 . 1 . 1 1 32 32 SER H H . . . . 32 . HN rr_1aoo 3
189 2 . 2 . 1 1 32 32 SER HB2 H . . . . 32 . HB# rr_1aoo 3
189 3 . 1 . 1 1 32 32 SER H H . . . . 32 . HN rr_1aoo 3
189 3 . 2 . 1 1 32 32 SER HB3 H . . . . 32 . HB# rr_1aoo 3
190 1 . 1 . 1 1 33 33 ASP HA H . . . . 33 . HA rr_1aoo 3
190 1 . 2 . 1 1 34 34 ASP H H . . . . 34 . HN rr_1aoo 3
191 1 . 1 . 1 1 33 33 ASP H H . . . . 33 . HN rr_1aoo 3
191 1 . 2 . 1 1 34 34 ASP H H . . . . 34 . HN rr_1aoo 3
192 2 . 1 . 1 1 33 33 ASP HB2 H . . . . 33 . HB# rr_1aoo 3
192 2 . 2 . 1 1 34 34 ASP H H . . . . 34 . HN rr_1aoo 3
192 3 . 1 . 1 1 33 33 ASP HB3 H . . . . 33 . HB# rr_1aoo 3
192 3 . 2 . 1 1 34 34 ASP H H . . . . 34 . HN rr_1aoo 3
193 2 . 1 . 1 1 33 33 ASP H H . . . . 33 . HN rr_1aoo 3
193 2 . 2 . 1 1 33 33 ASP HB2 H . . . . 33 . HB# rr_1aoo 3
193 3 . 1 . 1 1 33 33 ASP H H . . . . 33 . HN rr_1aoo 3
193 3 . 2 . 1 1 33 33 ASP HB3 H . . . . 33 . HB# rr_1aoo 3
194 1 . 1 . 1 1 34 34 ASP HA H . . . . 34 . HA rr_1aoo 3
194 1 . 2 . 1 1 35 35 LYS H H . . . . 35 . HN rr_1aoo 3
195 1 . 1 . 1 1 34 34 ASP H H . . . . 34 . HN rr_1aoo 3
195 1 . 2 . 1 1 36 36 CYS H H . . . . 36 . HN rr_1aoo 3
196 1 . 1 . 1 1 34 34 ASP HA H . . . . 34 . HA rr_1aoo 3
196 1 . 2 . 1 1 36 36 CYS H H . . . . 36 . HN rr_1aoo 3
197 2 . 1 . 1 1 34 34 ASP H H . . . . 34 . HN rr_1aoo 3
197 2 . 2 . 1 1 34 34 ASP HB2 H . . . . 34 . HB# rr_1aoo 3
197 3 . 1 . 1 1 34 34 ASP H H . . . . 34 . HN rr_1aoo 3
197 3 . 2 . 1 1 34 34 ASP HB3 H . . . . 34 . HB# rr_1aoo 3
198 1 . 1 . 1 1 35 35 LYS HA H . . . . 35 . HA rr_1aoo 3
198 1 . 2 . 1 1 36 36 CYS H H . . . . 36 . HN rr_1aoo 3
199 1 . 1 . 1 1 35 35 LYS H H . . . . 35 . HN rr_1aoo 3
199 1 . 2 . 1 1 36 36 CYS H H . . . . 36 . HN rr_1aoo 3
200 1 . 1 . 1 1 36 36 CYS HA H . . . . 36 . HA rr_1aoo 3
200 1 . 2 . 1 1 38 38 CYS H H . . . . 38 . HN rr_1aoo 3
201 2 . 1 . 1 1 36 36 CYS H H . . . . 36 . HN rr_1aoo 3
201 2 . 2 . 1 1 37 37 PRO HG2 H . . . . 37 . HG# rr_1aoo 3
201 3 . 1 . 1 1 36 36 CYS H H . . . . 36 . HN rr_1aoo 3
201 3 . 2 . 1 1 37 37 PRO HG3 H . . . . 37 . HG# rr_1aoo 3
202 1 . 1 . 1 1 36 36 CYS H H . . . . 36 . HN rr_1aoo 3
202 1 . 2 . 1 1 36 36 CYS HB3 H . . . . 36 . HB1 rr_1aoo 3
203 1 . 1 . 1 1 36 36 CYS H H . . . . 36 . HN rr_1aoo 3
203 1 . 2 . 1 1 36 36 CYS HB2 H . . . . 36 . HB2 rr_1aoo 3
204 1 . 1 . 1 1 36 36 CYS HB3 H . . . . 36 . HB1 rr_1aoo 3
204 1 . 2 . 1 1 38 38 CYS H H . . . . 38 . HN rr_1aoo 3
205 1 . 1 . 1 1 36 36 CYS HB2 H . . . . 36 . HB2 rr_1aoo 3
205 1 . 2 . 1 1 38 38 CYS H H . . . . 38 . HN rr_1aoo 3
206 1 . 1 . 1 1 37 37 PRO HA H . . . . 37 . HA rr_1aoo 3
206 1 . 2 . 1 1 38 38 CYS H H . . . . 38 . HN rr_1aoo 3
207 2 . 1 . 1 1 37 37 PRO HB2 H . . . . 37 . HB# rr_1aoo 3
207 2 . 2 . 1 1 38 38 CYS H H . . . . 38 . HN rr_1aoo 3
207 3 . 1 . 1 1 37 37 PRO HB3 H . . . . 37 . HB# rr_1aoo 3
207 3 . 2 . 1 1 38 38 CYS H H . . . . 38 . HN rr_1aoo 3
208 2 . 1 . 1 1 37 37 PRO HG2 H . . . . 37 . HG# rr_1aoo 3
208 2 . 2 . 1 1 38 38 CYS H H . . . . 38 . HN rr_1aoo 3
208 3 . 1 . 1 1 37 37 PRO HG3 H . . . . 37 . HG# rr_1aoo 3
208 3 . 2 . 1 1 38 38 CYS H H . . . . 38 . HN rr_1aoo 3
209 2 . 1 . 1 1 37 37 PRO HD2 H . . . . 37 . HD# rr_1aoo 3
209 2 . 2 . 1 1 38 38 CYS H H . . . . 38 . HN rr_1aoo 3
209 3 . 1 . 1 1 37 37 PRO HD3 H . . . . 37 . HD# rr_1aoo 3
209 3 . 2 . 1 1 38 38 CYS H H . . . . 38 . HN rr_1aoo 3
210 1 . 1 . 1 1 38 38 CYS HA H . . . . 38 . HA rr_1aoo 3
210 1 . 2 . 1 1 39 39 GLY H H . . . . 39 . HN rr_1aoo 3
211 1 . 1 . 1 1 38 38 CYS HA H . . . . 38 . HA rr_1aoo 3
211 1 . 2 . 1 1 40 40 ASN H H . . . . 40 . HN rr_1aoo 3
212 1 . 1 . 1 1 38 38 CYS H H . . . . 38 . HN rr_1aoo 3
212 1 . 2 . 1 1 39 39 GLY H H . . . . 39 . HN rr_1aoo 3
213 1 . 1 . 1 1 38 38 CYS HB2 H . . . . 38 . HB2 rr_1aoo 3
213 1 . 2 . 1 1 39 39 GLY H H . . . . 39 . HN rr_1aoo 3
214 1 . 1 . 1 1 38 38 CYS H H . . . . 38 . HN rr_1aoo 3
214 1 . 2 . 1 1 38 38 CYS HB3 H . . . . 38 . HB1 rr_1aoo 3
215 1 . 1 . 1 1 38 38 CYS H H . . . . 38 . HN rr_1aoo 3
215 1 . 2 . 1 1 38 38 CYS HB2 H . . . . 38 . HB2 rr_1aoo 3
216 2 . 1 . 1 1 39 39 GLY HA2 H . . . . 39 . HA# rr_1aoo 3
216 2 . 2 . 1 1 40 40 ASN H H . . . . 40 . HN rr_1aoo 3
216 3 . 1 . 1 1 39 39 GLY HA3 H . . . . 39 . HA# rr_1aoo 3
216 3 . 2 . 1 1 40 40 ASN H H . . . . 40 . HN rr_1aoo 3
217 1 . 1 . 1 1 39 39 GLY H H . . . . 39 . HN rr_1aoo 3
217 1 . 2 . 1 1 40 40 ASN H H . . . . 40 . HN rr_1aoo 3
218 2 . 1 . 1 1 39 39 GLY H H . . . . 39 . HN rr_1aoo 3
218 2 . 2 . 1 1 40 40 ASN HD22 H . . . . 40 . HD2# rr_1aoo 3
218 3 . 1 . 1 1 39 39 GLY H H . . . . 39 . HN rr_1aoo 3
218 3 . 2 . 1 1 40 40 ASN HD21 H . . . . 40 . HD2# rr_1aoo 3
219 2 . 1 . 1 1 40 40 ASN H H . . . . 40 . HN rr_1aoo 3
219 2 . 2 . 1 1 40 40 ASN HB2 H . . . . 40 . HB# rr_1aoo 3
219 3 . 1 . 1 1 40 40 ASN H H . . . . 40 . HN rr_1aoo 3
219 3 . 2 . 1 1 40 40 ASN HB3 H . . . . 40 . HB# rr_1aoo 3
220 2 . 1 . 1 1 40 40 ASN HD22 H . . . . 40 . HD2# rr_1aoo 3
220 2 . 2 . 1 1 40 40 ASN HB2 H . . . . 40 . HB# rr_1aoo 3
220 3 . 1 . 1 1 40 40 ASN HD22 H . . . . 40 . HD2# rr_1aoo 3
220 3 . 2 . 1 1 40 40 ASN HB3 H . . . . 40 . HB# rr_1aoo 3
220 4 . 1 . 1 1 40 40 ASN HD21 H . . . . 40 . HD2# rr_1aoo 3
220 4 . 2 . 1 1 40 40 ASN HB2 H . . . . 40 . HB# rr_1aoo 3
220 5 . 1 . 1 1 40 40 ASN HD21 H . . . . 40 . HD2# rr_1aoo 3
220 5 . 2 . 1 1 40 40 ASN HB3 H . . . . 40 . HB# rr_1aoo 3
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
2 1 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
3 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
4 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
4 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
5 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
5 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
6 2 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
6 3 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
6 4 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
6 5 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
7 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
8 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
9 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
10 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
11 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
11 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
12 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
12 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
13 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
13 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
14 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
14 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
15 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
16 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
17 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
17 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
18 1 . . . . . . 1.8 1.8 6.0 rr_1aoo 3
19 1 . . . . . . 1.8 1.8 6.0 rr_1aoo 3
20 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
21 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
22 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
23 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
24 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
25 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
26 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
27 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
27 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
28 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
28 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
29 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
30 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
31 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
31 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
32 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
32 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
33 2 . . . . . . 1.8 1.8 5.6 rr_1aoo 3
33 3 . . . . . . 1.8 1.8 5.6 rr_1aoo 3
33 4 . . . . . . 1.8 1.8 5.6 rr_1aoo 3
33 5 . . . . . . 1.8 1.8 5.6 rr_1aoo 3
34 2 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
34 3 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
35 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
35 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
36 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
37 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
38 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
39 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
40 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
41 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
42 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
43 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
44 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
45 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
46 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
46 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
47 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
47 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
48 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
48 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
49 2 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
49 3 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
49 4 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
49 5 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
50 2 . . . . . . 1.8 1.8 5.6 rr_1aoo 3
50 3 . . . . . . 1.8 1.8 5.6 rr_1aoo 3
51 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
52 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
53 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
54 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
55 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
56 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
57 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
58 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
59 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
60 2 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
60 3 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
60 4 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
60 5 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
61 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
61 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
62 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
62 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
63 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
63 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
64 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
65 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
66 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
67 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
68 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
69 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
70 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
71 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
72 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
72 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
73 2 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
73 3 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
74 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
75 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
76 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
76 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
77 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
77 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
78 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
78 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
79 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
80 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
81 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
82 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
82 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
83 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
84 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
85 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
86 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
87 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
88 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
89 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
90 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
91 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
91 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
92 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
92 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
93 2 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
93 3 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
93 4 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
93 5 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
94 2 . . . . . . 1.8 1.8 6.5 rr_1aoo 3
94 3 . . . . . . 1.8 1.8 6.5 rr_1aoo 3
94 4 . . . . . . 1.8 1.8 6.5 rr_1aoo 3
94 5 . . . . . . 1.8 1.8 6.5 rr_1aoo 3
95 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
96 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
97 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
98 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
98 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
99 2 . . . . . . 1.8 1.8 4.7 rr_1aoo 3
99 3 . . . . . . 1.8 1.8 4.7 rr_1aoo 3
99 4 . . . . . . 1.8 1.8 4.7 rr_1aoo 3
99 5 . . . . . . 1.8 1.8 4.7 rr_1aoo 3
100 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
101 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
102 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
103 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
104 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
104 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
105 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
105 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
106 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
106 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
107 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
108 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
109 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
110 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
110 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
111 2 . . . . . . 1.8 1.8 4.7 rr_1aoo 3
111 3 . . . . . . 1.8 1.8 4.7 rr_1aoo 3
111 4 . . . . . . 1.8 1.8 4.7 rr_1aoo 3
111 5 . . . . . . 1.8 1.8 4.7 rr_1aoo 3
112 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
112 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
113 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
113 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
114 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
115 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
116 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
117 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
118 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
119 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
120 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
121 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
122 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
122 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
123 2 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
123 3 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
123 4 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
123 5 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
124 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
124 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
125 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
125 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
126 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
126 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
127 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
127 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
128 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
129 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
130 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
130 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
131 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
131 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
132 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
132 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
133 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
134 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
135 2 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
135 3 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
136 2 . . . . . . 1.8 1.8 5.6 rr_1aoo 3
136 3 . . . . . . 1.8 1.8 5.6 rr_1aoo 3
136 4 . . . . . . 1.8 1.8 5.6 rr_1aoo 3
136 5 . . . . . . 1.8 1.8 5.6 rr_1aoo 3
137 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
137 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
138 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
139 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
140 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
141 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
142 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
143 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
144 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
145 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
145 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
146 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
146 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
147 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
148 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
149 2 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
149 3 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
150 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
151 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
152 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
153 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
154 1 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
155 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
155 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
156 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
156 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
157 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
157 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
158 2 . . . . . . 1.8 1.8 6.5 rr_1aoo 3
158 3 . . . . . . 1.8 1.8 6.5 rr_1aoo 3
158 4 . . . . . . 1.8 1.8 6.5 rr_1aoo 3
158 5 . . . . . . 1.8 1.8 6.5 rr_1aoo 3
159 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
159 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
160 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
160 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
161 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
162 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
163 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
164 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
165 1 . . . . . . 1.8 1.8 6.0 rr_1aoo 3
166 1 . . . . . . 1.8 1.8 5.1 rr_1aoo 3
167 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
168 1 . . . . . . 1.8 1.8 5.1 rr_1aoo 3
169 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
169 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
170 2 . . . . . . 1.8 1.8 5.6 rr_1aoo 3
170 3 . . . . . . 1.8 1.8 5.6 rr_1aoo 3
170 4 . . . . . . 1.8 1.8 5.6 rr_1aoo 3
170 5 . . . . . . 1.8 1.8 5.6 rr_1aoo 3
171 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
172 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
173 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
174 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
175 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
176 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
177 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
178 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
179 2 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
179 3 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
180 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
180 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
181 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
181 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
182 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
182 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
183 2 . . . . . . 1.8 1.8 4.7 rr_1aoo 3
183 3 . . . . . . 1.8 1.8 4.7 rr_1aoo 3
183 4 . . . . . . 1.8 1.8 4.7 rr_1aoo 3
183 5 . . . . . . 1.8 1.8 4.7 rr_1aoo 3
184 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
185 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
186 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
187 2 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
187 3 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
188 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
188 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
189 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
189 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
190 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
191 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
192 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
192 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
193 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
193 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
194 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
195 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
196 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
197 2 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
197 3 . . . . . . 1.8 1.8 3.7 rr_1aoo 3
198 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
199 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
200 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
201 2 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
201 3 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
202 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
203 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
204 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
205 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
206 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
207 2 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
207 3 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
208 2 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
208 3 . . . . . . 1.8 1.8 5.5 rr_1aoo 3
209 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
209 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
210 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
211 1 . . . . . . 1.8 1.8 3.2 rr_1aoo 3
212 1 . . . . . . 1.8 1.8 4.5 rr_1aoo 3
213 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
214 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
215 1 . . . . . . 1.8 1.8 2.7 rr_1aoo 3
216 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
216 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
217 1 . . . . . . 1.8 1.8 3.6 rr_1aoo 3
218 2 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
218 3 . . . . . . 1.8 1.8 4.6 rr_1aoo 3
219 2 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
219 3 . . . . . . 1.8 1.8 4.2 rr_1aoo 3
220 2 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
220 3 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
220 4 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
220 5 . . . . . . 1.8 1.8 5.2 rr_1aoo 3
stop_
save_
save_CNS/XPLOR_distance_constraints_6_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_6_1
_Distance_constraint_list.Entry_ID rr_1aoo
_Distance_constraint_list.ID 3
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 6
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_1aoo 4
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 "assign (resid 20 and name AG )(resid 9 and name AG ) 2.3 0.0 20.0" 6 1 6 77 rr_1aoo 4
2
;assign (resid 30 and name AG )(resid 14 and name AG ) 2.3 0.0 20.0
assign (resid 30 and name AG )(resid 36 and name AG ) 2.3 0.0 20.0
;
8 1 9 77 rr_1aoo 4
3
;assign (resid 26 and name AG )(resid 36 and name AG ) 2.3 0.0 20.0
assign (resid 26 and name AG )(resid 38 and name AG ) 2.3 0.0 20.0
assign (resid 26 and name AG )(resid 9 and name AG ) 2.3 0.0 20.0
assign (resid 14 and name AG )(resid 36 and name AG ) 2.3 0.0 20.0
assign (resid 14 and name AG )(resid 38 and name AG ) 2.3 0.0 20.0
;
13 1 17 78 rr_1aoo 4
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 6 1 1 "Not handling restraint 1, item 1, resonance(s) ' .20.AG' (nmrStar names),' .30.AG' (nmrStar names) not linked" rr_1aoo 4
2 6 2 1 "Not handling restraint 2, item 1, resonance(s) ' .20.AG' (nmrStar names),' .26.AG' (nmrStar names) not linked" rr_1aoo 4
3 6 3 1 "Not handling restraint 3, item 1, resonance(s) ' .20.AG' (nmrStar names),' .14.AG' (nmrStar names) not linked" rr_1aoo 4
4 6 4 1 "Not handling restraint 4, item 1, resonance(s) ' .20.AG' (nmrStar names),' .36.AG' (nmrStar names) not linked" rr_1aoo 4
5 6 5 1 "Not handling restraint 5, item 1, resonance(s) ' .20.AG' (nmrStar names),' .38.AG' (nmrStar names) not linked" rr_1aoo 4
6 6 6 1 "Not handling restraint 6, item 1, resonance(s) ' .30.AG' (nmrStar names),' .26.AG' (nmrStar names) not linked" rr_1aoo 4
7 6 7 1 "Not handling restraint 7, item 1, resonance(s) ' .30.AG' (nmrStar names),' .38.AG' (nmrStar names) not linked" rr_1aoo 4
8 6 8 1 "Not handling restraint 8, item 1, resonance(s) ' .30.AG' (nmrStar names),' .9.AG' (nmrStar names) not linked" rr_1aoo 4
9 6 9 1 "Not handling restraint 9, item 1, resonance(s) ' .14.AG' (nmrStar names),' .26.AG' (nmrStar names) not linked" rr_1aoo 4
10 6 10 1 "Not handling restraint 10, item 1, resonance(s) ' .9.AG' (nmrStar names),' .14.AG' (nmrStar names) not linked" rr_1aoo 4
11 6 11 1 "Not handling restraint 11, item 1, resonance(s) ' .38.AG' (nmrStar names),' .36.AG' (nmrStar names) not linked" rr_1aoo 4
12 6 12 1 "Not handling restraint 12, item 1, resonance(s) ' .9.AG' (nmrStar names),' .36.AG' (nmrStar names) not linked" rr_1aoo 4
13 6 13 1 "Not handling restraint 13, item 1, resonance(s) ' .38.AG' (nmrStar names),' .9.AG' (nmrStar names) not linked" rr_1aoo 4
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_1aoo
_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 METALLOTHIONEIN 08-JUL-97 1AOO *TITLE AG-SUBSTITUTED METALLOTHIONEIN FROM SACCHAROMYCES *TITLE 2 CEREVISIAE, NMR, MINIMIZED AVERAGE STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: AG-METALLOTHIONEIN; *COMPND 3 CHAIN: NULL; *COMPND 4 SYNONYM: AG-MT; *COMPND 5 BIOLOGICAL_UNIT: MONOMER; *COMPND 6 OTHER_DETAILS: AG(I) SUBSTITUTED *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; *SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; *SOURCE 4 STRAIN: 301N *KEYWDS METALLOTHIONEIN, COPPER DETOXIFICATION, METAL-THIOLATE *KEYWDS 2 CLUSTER *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR C.W.PETERSON,S.S.NARULA,I.M.ARMITAGE *REVDAT 1 24-DEC-97 1AOO 0 !NOE data for Ag-MT
remarks this is a hybrid of noeSN.tbl and my AG-AG,SG-SG,AG-SG noe's
remarks The distance calibration is according to Gronenborn Paper.
set message=off echo=off end
!
class 1a
;
save_
save_MR_file_comment_5
_Org_constr_file_comment.Sf_framecode MR_file_comment_5
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1aoo
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 5
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;scale 1b 1000.
!
class 1c
;
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_1aoo
_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
;scale 1a 500.
!
class 1b
;
save_
save_MR_file_comment_8
_Org_constr_file_comment.Sf_framecode MR_file_comment_8
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1aoo
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 8
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;scale 1c 100.
set messaage=on echo=on end
;
save_
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