NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
468765 |
1a93   |
4200 | cing | 3-converted-DOCR | STAR | entry | full | 558 |
data_DOCR_restraints_with_modified_coordinates_PDB_code_1a93
# This DOCR archive file contains, for PDB entry <1a93>:
#
# - 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_1a93
_Entry.Title "wwPDB remediated NMR restraints for PDB entry 1a93"
_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 1a93"
_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 1a93 "Master copy" rr_1a93
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID rr_1a93
_Assembly.ID 1
_Assembly.Name 1a93
_Assembly.Number_of_components 2
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Paramagnetic no
_Assembly.Thiol_state "all free"
_Assembly.Molecular_mass 7637.6563
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 "MYC PROTO ONCOGENE PROTEIN" 1 $MYC_PROTO_ONCOGENE_PROTEIN A . no . . . . . . rr_1a93 1
2 "MAX PROTEIN" 2 $MAX_PROTEIN B . no . . . . . . rr_1a93 1
stop_
save_
save_MYC_PROTO_ONCOGENE_PROTEIN
_Entity.Sf_category entity
_Entity.Sf_framecode MYC_PROTO_ONCOGENE_PROTEIN
_Entity.Entry_ID rr_1a93
_Entity.ID 1
_Entity.Name MYC_PROTO_ONCOGENE_PROTEIN
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code
;XCGGVQAEEQKLISEEDLLR
KRREQLKHKLEQLX
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 34
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 1
_Entity.Formula_weight 3845.4011
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 . ACE . rr_1a93 1
2 . CYS . rr_1a93 1
3 . GLY . rr_1a93 1
4 . GLY . rr_1a93 1
5 . VAL . rr_1a93 1
6 . GLN . rr_1a93 1
7 . ALA . rr_1a93 1
8 . GLU . rr_1a93 1
9 . GLU . rr_1a93 1
10 . GLN . rr_1a93 1
11 . LYS . rr_1a93 1
12 . LEU . rr_1a93 1
13 . ILE . rr_1a93 1
14 . SER . rr_1a93 1
15 . GLU . rr_1a93 1
16 . GLU . rr_1a93 1
17 . ASP . rr_1a93 1
18 . LEU . rr_1a93 1
19 . LEU . rr_1a93 1
20 . ARG . rr_1a93 1
21 . LYS . rr_1a93 1
22 . ARG . rr_1a93 1
23 . ARG . rr_1a93 1
24 . GLU . rr_1a93 1
25 . GLN . rr_1a93 1
26 . LEU . rr_1a93 1
27 . LYS . rr_1a93 1
28 . HIS . rr_1a93 1
29 . LYS . rr_1a93 1
30 . LEU . rr_1a93 1
31 . GLU . rr_1a93 1
32 . GLN . rr_1a93 1
33 . LEU . rr_1a93 1
34 . NH2 . rr_1a93 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
. ACE 1 1 rr_1a93 1
. CYS 2 2 rr_1a93 1
. GLY 3 3 rr_1a93 1
. GLY 4 4 rr_1a93 1
. VAL 5 5 rr_1a93 1
. GLN 6 6 rr_1a93 1
. ALA 7 7 rr_1a93 1
. GLU 8 8 rr_1a93 1
. GLU 9 9 rr_1a93 1
. GLN 10 10 rr_1a93 1
. LYS 11 11 rr_1a93 1
. LEU 12 12 rr_1a93 1
. ILE 13 13 rr_1a93 1
. SER 14 14 rr_1a93 1
. GLU 15 15 rr_1a93 1
. GLU 16 16 rr_1a93 1
. ASP 17 17 rr_1a93 1
. LEU 18 18 rr_1a93 1
. LEU 19 19 rr_1a93 1
. ARG 20 20 rr_1a93 1
. LYS 21 21 rr_1a93 1
. ARG 22 22 rr_1a93 1
. ARG 23 23 rr_1a93 1
. GLU 24 24 rr_1a93 1
. GLN 25 25 rr_1a93 1
. LEU 26 26 rr_1a93 1
. LYS 27 27 rr_1a93 1
. HIS 28 28 rr_1a93 1
. LYS 29 29 rr_1a93 1
. LEU 30 30 rr_1a93 1
. GLU 31 31 rr_1a93 1
. GLN 32 32 rr_1a93 1
. LEU 33 33 rr_1a93 1
. NH2 34 34 rr_1a93 1
stop_
save_
save_MAX_PROTEIN
_Entity.Sf_category entity
_Entity.Sf_framecode MAX_PROTEIN
_Entity.Entry_ID rr_1a93
_Entity.ID 2
_Entity.Name MAX_PROTEIN
_Entity.Type polymer
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_strand_ID B
_Entity.Polymer_seq_one_letter_code
;XCGGMRRKNDTHQQDIDDLK
RQNALLEQQVRALX
;
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer yes
_Entity.Nstd_chirality yes
_Entity.Nstd_linkage yes
_Entity.Number_of_monomers 34
_Entity.Paramagnetic no
_Entity.Thiol_state "all free"
_Entity.Parent_entity_ID 2
_Entity.Formula_weight 3792.2552
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 . ACE . rr_1a93 2
2 . CYS . rr_1a93 2
3 . GLY . rr_1a93 2
4 . GLY . rr_1a93 2
5 . MET . rr_1a93 2
6 . ARG . rr_1a93 2
7 . ARG . rr_1a93 2
8 . LYS . rr_1a93 2
9 . ASN . rr_1a93 2
10 . ASP . rr_1a93 2
11 . THR . rr_1a93 2
12 . HIS . rr_1a93 2
13 . GLN . rr_1a93 2
14 . GLN . rr_1a93 2
15 . ASP . rr_1a93 2
16 . ILE . rr_1a93 2
17 . ASP . rr_1a93 2
18 . ASP . rr_1a93 2
19 . LEU . rr_1a93 2
20 . LYS . rr_1a93 2
21 . ARG . rr_1a93 2
22 . GLN . rr_1a93 2
23 . ASN . rr_1a93 2
24 . ALA . rr_1a93 2
25 . LEU . rr_1a93 2
26 . LEU . rr_1a93 2
27 . GLU . rr_1a93 2
28 . GLN . rr_1a93 2
29 . GLN . rr_1a93 2
30 . VAL . rr_1a93 2
31 . ARG . rr_1a93 2
32 . ALA . rr_1a93 2
33 . LEU . rr_1a93 2
34 . NH2 . rr_1a93 2
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
. ACE 1 1 rr_1a93 2
. CYS 2 2 rr_1a93 2
. GLY 3 3 rr_1a93 2
. GLY 4 4 rr_1a93 2
. MET 5 5 rr_1a93 2
. ARG 6 6 rr_1a93 2
. ARG 7 7 rr_1a93 2
. LYS 8 8 rr_1a93 2
. ASN 9 9 rr_1a93 2
. ASP 10 10 rr_1a93 2
. THR 11 11 rr_1a93 2
. HIS 12 12 rr_1a93 2
. GLN 13 13 rr_1a93 2
. GLN 14 14 rr_1a93 2
. ASP 15 15 rr_1a93 2
. ILE 16 16 rr_1a93 2
. ASP 17 17 rr_1a93 2
. ASP 18 18 rr_1a93 2
. LEU 19 19 rr_1a93 2
. LYS 20 20 rr_1a93 2
. ARG 21 21 rr_1a93 2
. GLN 22 22 rr_1a93 2
. ASN 23 23 rr_1a93 2
. ALA 24 24 rr_1a93 2
. LEU 25 25 rr_1a93 2
. LEU 26 26 rr_1a93 2
. GLU 27 27 rr_1a93 2
. GLN 28 28 rr_1a93 2
. GLN 29 29 rr_1a93 2
. VAL 30 30 rr_1a93 2
. ARG 31 31 rr_1a93 2
. ALA 32 32 rr_1a93 2
. LEU 33 33 rr_1a93 2
. NH2 34 34 rr_1a93 2
stop_
save_
save_chem_comp_ACE
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ACE
_Chem_comp.Entry_ID rr_1a93
_Chem_comp.ID ACE
_Chem_comp.Name "ACETYL GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code ACE
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "C2 H3 O"
_Chem_comp.Formula_weight 43.0451
loop_
_Chem_comp_common_name.Name
_Chem_comp_common_name.Type
_Chem_comp_common_name.Entry_ID
_Chem_comp_common_name.Comp_ID
acetaldehyde name rr_1a93 ACE
stop_
save_
save_chem_comp_NH2
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_NH2
_Chem_comp.Entry_ID rr_1a93
_Chem_comp.ID NH2
_Chem_comp.Name "AMINO GROUP"
_Chem_comp.Type non-polymer
_Chem_comp.PDB_code NH2
_Chem_comp.Formal_charge 0
_Chem_comp.Paramagnetic no
_Chem_comp.Aromatic no
_Chem_comp.Formula "H2 N"
_Chem_comp.Formula_weight 16.0225
save_
save_conformer_statistics
_Conformer_stat_list.Sf_category conformer_statistics
_Conformer_stat_list.Sf_framecode conformer_statistics
_Conformer_stat_list.Entry_ID rr_1a93
_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_1a93
_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_1a93 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_1a93 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 ACE C C 37.035 1.681 -5.527 . . . 1.0 . . . . . . . . . . . . A . 2 ACE C . . . . . . . . . rr_1a93 1
. 1 . 2 . 1 1 1 ACE CH3 C 36.705 0.227 -5.205 . . . 1.0 . . . . . . . . . . . . A . 2 ACE CH3 . . . . . . . . . rr_1a93 1
. 1 . 3 . 1 1 1 ACE H1 H 37.585 -0.264 -4.817 . . . 1.0 . . . . . . . . . . . . A . 2 ACE H1 . . . . . . . . . rr_1a93 1
. 1 . 4 . 1 1 1 ACE H2 H 36.379 -0.275 -6.104 . . . 1.0 . . . . . . . . . . . . A . 2 ACE H2 . . . . . . . . . rr_1a93 1
. 1 . 5 . 1 1 1 ACE H3 H 35.918 0.192 -4.466 . . . 1.0 . . . . . . . . . . . . A . 2 ACE H3 . . . . . . . . . rr_1a93 1
. 1 . 6 . 1 1 1 ACE O O 36.222 2.405 -6.102 . . . 1.0 . . . . . . . . . . . . A . 2 ACE O . . . . . . . . . rr_1a93 1
. 1 . 7 . 1 1 2 CYS C C 39.052 3.647 -6.869 . . . 1.0 . . . . . . . . . . . . A . 3 CYS C . . . . . . . . . rr_1a93 1
. 1 . 8 . 1 1 2 CYS CA C 38.673 3.471 -5.402 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CA . . . . . . . . . rr_1a93 1
. 1 . 9 . 1 1 2 CYS CB C 39.880 3.821 -4.530 . . . 1.0 . . . . . . . . . . . . A . 3 CYS CB . . . . . . . . . rr_1a93 1
. 1 . 10 . 1 1 2 CYS H H 38.846 1.478 -4.695 . . . 1.0 . . . . . . . . . . . . A . 3 CYS H . . . . . . . . . rr_1a93 1
. 1 . 11 . 1 1 2 CYS HA H 37.863 4.144 -5.165 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HA . . . . . . . . . rr_1a93 1
. 1 . 12 . 1 1 2 CYS HB2 H 40.707 3.175 -4.784 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB2 . . . . . . . . . rr_1a93 1
. 1 . 13 . 1 1 2 CYS HB3 H 40.160 4.850 -4.700 . . . 1.0 . . . . . . . . . . . . A . 3 CYS HB3 . . . . . . . . . rr_1a93 1
. 1 . 14 . 1 1 2 CYS N N 38.240 2.099 -5.150 . . . 1.0 . . . . . . . . . . . . A . 3 CYS N . . . . . . . . . rr_1a93 1
. 1 . 15 . 1 1 2 CYS O O 39.919 2.945 -7.390 . . . 1.0 . . . . . . . . . . . . A . 3 CYS O . . . . . . . . . rr_1a93 1
. 1 . 16 . 1 1 2 CYS SG S 39.450 3.592 -2.787 . . . 1.0 . . . . . . . . . . . . A . 3 CYS SG . . . . . . . . . rr_1a93 1
. 1 . 17 . 1 1 3 GLY C C 39.468 6.147 -9.099 . . . 1.0 . . . . . . . . . . . . A . 4 GLY C . . . . . . . . . rr_1a93 1
. 1 . 18 . 1 1 3 GLY CA C 38.666 4.861 -8.937 . . . 1.0 . . . . . . . . . . . . A . 4 GLY CA . . . . . . . . . rr_1a93 1
. 1 . 19 . 1 1 3 GLY H H 37.712 5.124 -7.060 . . . 1.0 . . . . . . . . . . . . A . 4 GLY H . . . . . . . . . rr_1a93 1
. 1 . 20 . 1 1 3 GLY HA2 H 39.226 4.036 -9.352 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA2 . . . . . . . . . rr_1a93 1
. 1 . 21 . 1 1 3 GLY HA3 H 37.731 4.960 -9.469 . . . 1.0 . . . . . . . . . . . . A . 4 GLY HA3 . . . . . . . . . rr_1a93 1
. 1 . 22 . 1 1 3 GLY N N 38.392 4.595 -7.528 . . . 1.0 . . . . . . . . . . . . A . 4 GLY N . . . . . . . . . rr_1a93 1
. 1 . 23 . 1 1 3 GLY O O 40.471 6.185 -9.812 . . . 1.0 . . . . . . . . . . . . A . 4 GLY O . . . . . . . . . rr_1a93 1
. 1 . 24 . 1 1 4 GLY C C 39.772 9.140 -7.121 . . . 1.0 . . . . . . . . . . . . A . 5 GLY C . . . . . . . . . rr_1a93 1
. 1 . 25 . 1 1 4 GLY CA C 39.698 8.490 -8.498 . . . 1.0 . . . . . . . . . . . . A . 5 GLY CA . . . . . . . . . rr_1a93 1
. 1 . 26 . 1 1 4 GLY H H 38.212 7.111 -7.872 . . . 1.0 . . . . . . . . . . . . A . 5 GLY H . . . . . . . . . rr_1a93 1
. 1 . 27 . 1 1 4 GLY HA2 H 40.700 8.340 -8.877 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA2 . . . . . . . . . rr_1a93 1
. 1 . 28 . 1 1 4 GLY HA3 H 39.158 9.141 -9.168 . . . 1.0 . . . . . . . . . . . . A . 5 GLY HA3 . . . . . . . . . rr_1a93 1
. 1 . 29 . 1 1 4 GLY N N 39.016 7.201 -8.426 . . . 1.0 . . . . . . . . . . . . A . 5 GLY N . . . . . . . . . rr_1a93 1
. 1 . 30 . 1 1 4 GLY O O 39.711 10.362 -6.992 . . . 1.0 . . . . . . . . . . . . A . 5 GLY O . . . . . . . . . rr_1a93 1
. 1 . 31 . 1 1 5 VAL C C 41.330 9.486 -4.486 . . . 1.0 . . . . . . . . . . . . A . 6 VAL C . . . . . . . . . rr_1a93 1
. 1 . 32 . 1 1 5 VAL CA C 39.984 8.808 -4.724 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CA . . . . . . . . . rr_1a93 1
. 1 . 33 . 1 1 5 VAL CB C 39.816 7.664 -3.720 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CB . . . . . . . . . rr_1a93 1
. 1 . 34 . 1 1 5 VAL CG1 C 39.702 8.236 -2.305 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG1 . . . . . . . . . rr_1a93 1
. 1 . 35 . 1 1 5 VAL CG2 C 38.547 6.874 -4.051 . . . 1.0 . . . . . . . . . . . . A . 6 VAL CG2 . . . . . . . . . rr_1a93 1
. 1 . 36 . 1 1 5 VAL H H 39.946 7.341 -6.257 . . . 1.0 . . . . . . . . . . . . A . 6 VAL H . . . . . . . . . rr_1a93 1
. 1 . 37 . 1 1 5 VAL HA H 39.196 9.529 -4.567 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HA . . . . . . . . . rr_1a93 1
. 1 . 38 . 1 1 5 VAL HB H 40.674 7.009 -3.774 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HB . . . . . . . . . rr_1a93 1
. 1 . 39 . 1 1 5 VAL HG11 H 39.046 9.094 -2.316 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG11 . . . . . . . . . rr_1a93 1
. 1 . 40 . 1 1 5 VAL HG12 H 39.298 7.483 -1.644 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG12 . . . . . . . . . rr_1a93 1
. 1 . 41 . 1 1 5 VAL HG13 H 40.679 8.535 -1.958 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG13 . . . . . . . . . rr_1a93 1
. 1 . 42 . 1 1 5 VAL HG21 H 37.699 7.544 -4.063 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG21 . . . . . . . . . rr_1a93 1
. 1 . 43 . 1 1 5 VAL HG22 H 38.654 6.411 -5.021 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG22 . . . . . . . . . rr_1a93 1
. 1 . 44 . 1 1 5 VAL HG23 H 38.392 6.111 -3.302 . . . 1.0 . . . . . . . . . . . . A . 6 VAL HG23 . . . . . . . . . rr_1a93 1
. 1 . 45 . 1 1 5 VAL N N 39.903 8.306 -6.093 . . . 1.0 . . . . . . . . . . . . A . 6 VAL N . . . . . . . . . rr_1a93 1
. 1 . 46 . 1 1 5 VAL O O 41.404 10.559 -3.887 . . . 1.0 . . . . . . . . . . . . A . 6 VAL O . . . . . . . . . rr_1a93 1
. 1 . 47 . 1 1 6 GLN C C 43.865 10.723 -5.534 . . . 1.0 . . . . . . . . . . . . A . 7 GLN C . . . . . . . . . rr_1a93 1
. 1 . 48 . 1 1 6 GLN CA C 43.738 9.393 -4.798 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CA . . . . . . . . . rr_1a93 1
. 1 . 49 . 1 1 6 GLN CB C 44.784 8.420 -5.345 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CB . . . . . . . . . rr_1a93 1
. 1 . 50 . 1 1 6 GLN CD C 46.291 6.557 -4.650 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CD . . . . . . . . . rr_1a93 1
. 1 . 51 . 1 1 6 GLN CG C 44.972 7.265 -4.359 . . . 1.0 . . . . . . . . . . . . A . 7 GLN CG . . . . . . . . . rr_1a93 1
. 1 . 52 . 1 1 6 GLN H H 42.275 7.993 -5.431 . . . 1.0 . . . . . . . . . . . . A . 7 GLN H . . . . . . . . . rr_1a93 1
. 1 . 53 . 1 1 6 GLN HA H 43.926 9.553 -3.747 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HA . . . . . . . . . rr_1a93 1
. 1 . 54 . 1 1 6 GLN HB2 H 44.451 8.032 -6.297 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB2 . . . . . . . . . rr_1a93 1
. 1 . 55 . 1 1 6 GLN HB3 H 45.723 8.936 -5.475 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HB3 . . . . . . . . . rr_1a93 1
. 1 . 56 . 1 1 6 GLN HE21 H 45.622 4.775 -4.085 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE21 . . . . . . . . . rr_1a93 1
. 1 . 57 . 1 1 6 GLN HE22 H 47.234 4.809 -4.616 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HE22 . . . . . . . . . rr_1a93 1
. 1 . 58 . 1 1 6 GLN HG2 H 44.984 7.651 -3.350 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG2 . . . . . . . . . rr_1a93 1
. 1 . 59 . 1 1 6 GLN HG3 H 44.158 6.564 -4.466 . . . 1.0 . . . . . . . . . . . . A . 7 GLN HG3 . . . . . . . . . rr_1a93 1
. 1 . 60 . 1 1 6 GLN N N 42.394 8.845 -4.962 . . . 1.0 . . . . . . . . . . . . A . 7 GLN N . . . . . . . . . rr_1a93 1
. 1 . 61 . 1 1 6 GLN NE2 N 46.390 5.274 -4.432 . . . 1.0 . . . . . . . . . . . . A . 7 GLN NE2 . . . . . . . . . rr_1a93 1
. 1 . 62 . 1 1 6 GLN O O 44.421 11.688 -5.010 . . . 1.0 . . . . . . . . . . . . A . 7 GLN O . . . . . . . . . rr_1a93 1
. 1 . 63 . 1 1 6 GLN OE1 O 47.256 7.183 -5.087 . . . 1.0 . . . . . . . . . . . . A . 7 GLN OE1 . . . . . . . . . rr_1a93 1
. 1 . 64 . 1 1 7 ALA C C 42.637 13.108 -6.875 . . . 1.0 . . . . . . . . . . . . A . 8 ALA C . . . . . . . . . rr_1a93 1
. 1 . 65 . 1 1 7 ALA CA C 43.400 11.979 -7.561 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CA . . . . . . . . . rr_1a93 1
. 1 . 66 . 1 1 7 ALA CB C 42.793 11.737 -8.944 . . . 1.0 . . . . . . . . . . . . A . 8 ALA CB . . . . . . . . . rr_1a93 1
. 1 . 67 . 1 1 7 ALA H H 42.910 9.962 -7.122 . . . 1.0 . . . . . . . . . . . . A . 8 ALA H . . . . . . . . . rr_1a93 1
. 1 . 68 . 1 1 7 ALA HA H 44.432 12.273 -7.679 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HA . . . . . . . . . rr_1a93 1
. 1 . 69 . 1 1 7 ALA HB1 H 41.933 11.090 -8.851 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB1 . . . . . . . . . rr_1a93 1
. 1 . 70 . 1 1 7 ALA HB2 H 42.489 12.680 -9.374 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB2 . . . . . . . . . rr_1a93 1
. 1 . 71 . 1 1 7 ALA HB3 H 43.528 11.270 -9.583 . . . 1.0 . . . . . . . . . . . . A . 8 ALA HB3 . . . . . . . . . rr_1a93 1
. 1 . 72 . 1 1 7 ALA N N 43.341 10.762 -6.756 . . . 1.0 . . . . . . . . . . . . A . 8 ALA N . . . . . . . . . rr_1a93 1
. 1 . 73 . 1 1 7 ALA O O 43.124 14.234 -6.774 . . . 1.0 . . . . . . . . . . . . A . 8 ALA O . . . . . . . . . rr_1a93 1
. 1 . 74 . 1 1 8 GLU C C 41.242 14.192 -4.400 . . . 1.0 . . . . . . . . . . . . A . 9 GLU C . . . . . . . . . rr_1a93 1
. 1 . 75 . 1 1 8 GLU CA C 40.607 13.787 -5.726 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CA . . . . . . . . . rr_1a93 1
. 1 . 76 . 1 1 8 GLU CB C 39.208 13.228 -5.458 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CB . . . . . . . . . rr_1a93 1
. 1 . 77 . 1 1 8 GLU CD C 36.856 13.204 -6.288 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CD . . . . . . . . . rr_1a93 1
. 1 . 78 . 1 1 8 GLU CG C 38.300 13.531 -6.651 . . . 1.0 . . . . . . . . . . . . A . 9 GLU CG . . . . . . . . . rr_1a93 1
. 1 . 79 . 1 1 8 GLU H H 41.098 11.878 -6.512 . . . 1.0 . . . . . . . . . . . . A . 9 GLU H . . . . . . . . . rr_1a93 1
. 1 . 80 . 1 1 8 GLU HA H 40.520 14.659 -6.355 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HA . . . . . . . . . rr_1a93 1
. 1 . 81 . 1 1 8 GLU HB2 H 39.270 12.159 -5.313 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB2 . . . . . . . . . rr_1a93 1
. 1 . 82 . 1 1 8 GLU HB3 H 38.800 13.689 -4.571 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HB3 . . . . . . . . . rr_1a93 1
. 1 . 83 . 1 1 8 GLU HG2 H 38.379 14.577 -6.907 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG2 . . . . . . . . . rr_1a93 1
. 1 . 84 . 1 1 8 GLU HG3 H 38.602 12.929 -7.495 . . . 1.0 . . . . . . . . . . . . A . 9 GLU HG3 . . . . . . . . . rr_1a93 1
. 1 . 85 . 1 1 8 GLU N N 41.434 12.792 -6.403 . . . 1.0 . . . . . . . . . . . . A . 9 GLU N . . . . . . . . . rr_1a93 1
. 1 . 86 . 1 1 8 GLU O O 41.231 15.364 -4.022 . . . 1.0 . . . . . . . . . . . . A . 9 GLU O . . . . . . . . . rr_1a93 1
. 1 . 87 . 1 1 8 GLU OE1 O 36.201 14.059 -5.714 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE1 . . . . . . . . . rr_1a93 1
. 1 . 88 . 1 1 8 GLU OE2 O 36.424 12.103 -6.588 . . . 1.0 . . . . . . . . . . . . A . 9 GLU OE2 . . . . . . . . . rr_1a93 1
. 1 . 89 . 1 1 9 GLU C C 43.713 14.284 -2.610 . . . 1.0 . . . . . . . . . . . . A . 10 GLU C . . . . . . . . . rr_1a93 1
. 1 . 90 . 1 1 9 GLU CA C 42.438 13.470 -2.412 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CA . . . . . . . . . rr_1a93 1
. 1 . 91 . 1 1 9 GLU CB C 42.789 12.156 -1.710 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CB . . . . . . . . . rr_1a93 1
. 1 . 92 . 1 1 9 GLU CD C 43.621 11.197 0.437 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CD . . . . . . . . . rr_1a93 1
. 1 . 93 . 1 1 9 GLU CG C 42.961 12.409 -0.211 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CG . . . . . . . . . rr_1a93 1
. 1 . 94 . 1 1 9 GLU H H 41.776 12.293 -4.050 . . . 1.0 . . . . . . . . . . . . A . 10 GLU H . . . . . . . . . rr_1a93 1
. 1 . 95 . 1 1 9 GLU HA H 41.758 14.029 -1.788 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HA . . . . . . . . . rr_1a93 1
. 1 . 96 . 1 1 9 GLU HB2 H 41.994 11.442 -1.867 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB2 . . . . . . . . . rr_1a93 1
. 1 . 97 . 1 1 9 GLU HB3 H 43.710 11.766 -2.116 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB3 . . . . . . . . . rr_1a93 1
. 1 . 98 . 1 1 9 GLU HG2 H 43.582 13.280 -0.063 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG2 . . . . . . . . . rr_1a93 1
. 1 . 99 . 1 1 9 GLU HG3 H 41.995 12.574 0.240 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG3 . . . . . . . . . rr_1a93 1
. 1 . 100 . 1 1 9 GLU N N 41.797 13.208 -3.698 . . . 1.0 . . . . . . . . . . . . A . 10 GLU N . . . . . . . . . rr_1a93 1
. 1 . 101 . 1 1 9 GLU O O 43.997 15.214 -1.855 . . . 1.0 . . . . . . . . . . . . A . 10 GLU O . . . . . . . . . rr_1a93 1
. 1 . 102 . 1 1 9 GLU OE1 O 44.823 11.051 0.288 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE1 . . . . . . . . . rr_1a93 1
. 1 . 103 . 1 1 9 GLU OE2 O 42.915 10.431 1.073 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE2 . . . . . . . . . rr_1a93 1
. 1 . 104 . 1 1 10 GLN C C 45.447 16.085 -4.265 . . . 1.0 . . . . . . . . . . . . A . 11 GLN C . . . . . . . . . rr_1a93 1
. 1 . 105 . 1 1 10 GLN CA C 45.725 14.624 -3.929 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CA . . . . . . . . . rr_1a93 1
. 1 . 106 . 1 1 10 GLN CB C 46.444 13.969 -5.110 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CB . . . . . . . . . rr_1a93 1
. 1 . 107 . 1 1 10 GLN CD C 48.713 13.330 -5.928 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CD . . . . . . . . . rr_1a93 1
. 1 . 108 . 1 1 10 GLN CG C 47.935 14.307 -5.052 . . . 1.0 . . . . . . . . . . . . A . 11 GLN CG . . . . . . . . . rr_1a93 1
. 1 . 109 . 1 1 10 GLN H H 44.202 13.172 -4.203 . . . 1.0 . . . . . . . . . . . . A . 11 GLN H . . . . . . . . . rr_1a93 1
. 1 . 110 . 1 1 10 GLN HA H 46.367 14.578 -3.061 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HA . . . . . . . . . rr_1a93 1
. 1 . 111 . 1 1 10 GLN HB2 H 46.315 12.897 -5.061 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB2 . . . . . . . . . rr_1a93 1
. 1 . 112 . 1 1 10 GLN HB3 H 46.028 14.340 -6.035 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HB3 . . . . . . . . . rr_1a93 1
. 1 . 113 . 1 1 10 GLN HE21 H 49.572 14.760 -7.005 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE21 . . . . . . . . . rr_1a93 1
. 1 . 114 . 1 1 10 GLN HE22 H 49.995 13.174 -7.436 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HE22 . . . . . . . . . rr_1a93 1
. 1 . 115 . 1 1 10 GLN HG2 H 48.090 15.314 -5.410 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG2 . . . . . . . . . rr_1a93 1
. 1 . 116 . 1 1 10 GLN HG3 H 48.283 14.229 -4.033 . . . 1.0 . . . . . . . . . . . . A . 11 GLN HG3 . . . . . . . . . rr_1a93 1
. 1 . 117 . 1 1 10 GLN N N 44.479 13.921 -3.635 . . . 1.0 . . . . . . . . . . . . A . 11 GLN N . . . . . . . . . rr_1a93 1
. 1 . 118 . 1 1 10 GLN NE2 N 49.491 13.793 -6.868 . . . 1.0 . . . . . . . . . . . . A . 11 GLN NE2 . . . . . . . . . rr_1a93 1
. 1 . 119 . 1 1 10 GLN O O 46.245 16.971 -3.957 . . . 1.0 . . . . . . . . . . . . A . 11 GLN O . . . . . . . . . rr_1a93 1
. 1 . 120 . 1 1 10 GLN OE1 O 48.611 12.116 -5.756 . . . 1.0 . . . . . . . . . . . . A . 11 GLN OE1 . . . . . . . . . rr_1a93 1
. 1 . 121 . 1 1 11 LYS C C 43.415 18.452 -4.064 . . . 1.0 . . . . . . . . . . . . A . 12 LYS C . . . . . . . . . rr_1a93 1
. 1 . 122 . 1 1 11 LYS CA C 43.926 17.685 -5.279 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CA . . . . . . . . . rr_1a93 1
. 1 . 123 . 1 1 11 LYS CB C 42.832 17.660 -6.349 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CB . . . . . . . . . rr_1a93 1
. 1 . 124 . 1 1 11 LYS CD C 41.640 19.009 -8.082 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CD . . . . . . . . . rr_1a93 1
. 1 . 125 . 1 1 11 LYS CE C 42.107 18.147 -9.256 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CE . . . . . . . . . rr_1a93 1
. 1 . 126 . 1 1 11 LYS CG C 42.727 19.038 -7.005 . . . 1.0 . . . . . . . . . . . . A . 12 LYS CG . . . . . . . . . rr_1a93 1
. 1 . 127 . 1 1 11 LYS H H 43.709 15.580 -5.122 . . . 1.0 . . . . . . . . . . . . A . 12 LYS H . . . . . . . . . rr_1a93 1
. 1 . 128 . 1 1 11 LYS HA H 44.792 18.193 -5.677 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HA . . . . . . . . . rr_1a93 1
. 1 . 129 . 1 1 11 LYS HB2 H 43.079 16.921 -7.098 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB2 . . . . . . . . . rr_1a93 1
. 1 . 130 . 1 1 11 LYS HB3 H 41.887 17.408 -5.891 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HB3 . . . . . . . . . rr_1a93 1
. 1 . 131 . 1 1 11 LYS HD2 H 40.734 18.593 -7.667 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD2 . . . . . . . . . rr_1a93 1
. 1 . 132 . 1 1 11 LYS HD3 H 41.451 20.014 -8.428 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HD3 . . . . . . . . . rr_1a93 1
. 1 . 133 . 1 1 11 LYS HE2 H 43.180 18.224 -9.355 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE2 . . . . . . . . . rr_1a93 1
. 1 . 134 . 1 1 11 LYS HE3 H 41.835 17.117 -9.078 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HE3 . . . . . . . . . rr_1a93 1
. 1 . 135 . 1 1 11 LYS HG2 H 42.473 19.774 -6.256 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG2 . . . . . . . . . rr_1a93 1
. 1 . 136 . 1 1 11 LYS HG3 H 43.673 19.295 -7.457 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HG3 . . . . . . . . . rr_1a93 1
. 1 . 137 . 1 1 11 LYS HZ1 H 40.464 18.857 -10.319 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ1 . . . . . . . . . rr_1a93 1
. 1 . 138 . 1 1 11 LYS HZ2 H 41.954 19.469 -10.858 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ2 . . . . . . . . . rr_1a93 1
. 1 . 139 . 1 1 11 LYS HZ3 H 41.503 17.874 -11.230 . . . 1.0 . . . . . . . . . . . . A . 12 LYS HZ3 . . . . . . . . . rr_1a93 1
. 1 . 140 . 1 1 11 LYS N N 44.305 16.326 -4.902 . . . 1.0 . . . . . . . . . . . . A . 12 LYS N . . . . . . . . . rr_1a93 1
. 1 . 141 . 1 1 11 LYS NZ N 41.458 18.623 -10.510 . . . 1.0 . . . . . . . . . . . . A . 12 LYS NZ . . . . . . . . . rr_1a93 1
. 1 . 142 . 1 1 11 LYS O O 43.696 19.639 -3.898 . . . 1.0 . . . . . . . . . . . . A . 12 LYS O . . . . . . . . . rr_1a93 1
. 1 . 143 . 1 1 12 LEU C C 43.237 18.861 -1.101 . . . 1.0 . . . . . . . . . . . . A . 13 LEU C . . . . . . . . . rr_1a93 1
. 1 . 144 . 1 1 12 LEU CA C 42.112 18.382 -2.014 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CA . . . . . . . . . rr_1a93 1
. 1 . 145 . 1 1 12 LEU CB C 41.238 17.387 -1.247 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CB . . . . . . . . . rr_1a93 1
. 1 . 146 . 1 1 12 LEU CD1 C 39.086 16.123 -1.379 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD1 . . . . . . . . . rr_1a93 1
. 1 . 147 . 1 1 12 LEU CD2 C 39.070 18.621 -1.388 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD2 . . . . . . . . . rr_1a93 1
. 1 . 148 . 1 1 12 LEU CG C 39.831 17.375 -1.847 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CG . . . . . . . . . rr_1a93 1
. 1 . 149 . 1 1 12 LEU H H 42.471 16.815 -3.400 . . . 1.0 . . . . . . . . . . . . A . 13 LEU H . . . . . . . . . rr_1a93 1
. 1 . 150 . 1 1 12 LEU HA H 41.508 19.229 -2.302 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HA . . . . . . . . . rr_1a93 1
. 1 . 151 . 1 1 12 LEU HB2 H 41.669 16.399 -1.319 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB2 . . . . . . . . . rr_1a93 1
. 1 . 152 . 1 1 12 LEU HB3 H 41.182 17.682 -0.210 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB3 . . . . . . . . . rr_1a93 1
. 1 . 153 . 1 1 12 LEU HD11 H 39.696 15.251 -1.565 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD11 . . . . . . . . . rr_1a93 1
. 1 . 154 . 1 1 12 LEU HD12 H 38.882 16.201 -0.321 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD12 . . . . . . . . . rr_1a93 1
. 1 . 155 . 1 1 12 LEU HD13 H 38.156 16.034 -1.920 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD13 . . . . . . . . . rr_1a93 1
. 1 . 156 . 1 1 12 LEU HD21 H 39.467 18.958 -0.443 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD21 . . . . . . . . . rr_1a93 1
. 1 . 157 . 1 1 12 LEU HD22 H 39.182 19.403 -2.125 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD22 . . . . . . . . . rr_1a93 1
. 1 . 158 . 1 1 12 LEU HD23 H 38.023 18.382 -1.274 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD23 . . . . . . . . . rr_1a93 1
. 1 . 159 . 1 1 12 LEU HG H 39.900 17.370 -2.926 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HG . . . . . . . . . rr_1a93 1
. 1 . 160 . 1 1 12 LEU N N 42.661 17.759 -3.216 . . . 1.0 . . . . . . . . . . . . A . 13 LEU N . . . . . . . . . rr_1a93 1
. 1 . 161 . 1 1 12 LEU O O 43.164 19.941 -0.515 . . . 1.0 . . . . . . . . . . . . A . 13 LEU O . . . . . . . . . rr_1a93 1
. 1 . 162 . 1 1 13 ILE C C 46.143 19.610 -0.710 . . . 1.0 . . . . . . . . . . . . A . 14 ILE C . . . . . . . . . rr_1a93 1
. 1 . 163 . 1 1 13 ILE CA C 45.422 18.389 -0.146 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CA . . . . . . . . . rr_1a93 1
. 1 . 164 . 1 1 13 ILE CB C 46.405 17.215 -0.067 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CB . . . . . . . . . rr_1a93 1
. 1 . 165 . 1 1 13 ILE CD1 C 46.295 14.721 -0.206 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CD1 . . . . . . . . . rr_1a93 1
. 1 . 166 . 1 1 13 ILE CG1 C 45.668 15.965 0.424 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG1 . . . . . . . . . rr_1a93 1
. 1 . 167 . 1 1 13 ILE CG2 C 47.544 17.549 0.906 . . . 1.0 . . . . . . . . . . . . A . 14 ILE CG2 . . . . . . . . . rr_1a93 1
. 1 . 168 . 1 1 13 ILE H H 44.283 17.195 -1.481 . . . 1.0 . . . . . . . . . . . . A . 14 ILE H . . . . . . . . . rr_1a93 1
. 1 . 169 . 1 1 13 ILE HA H 45.068 18.618 0.848 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HA . . . . . . . . . rr_1a93 1
. 1 . 170 . 1 1 13 ILE HB H 46.817 17.027 -1.048 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HB . . . . . . . . . rr_1a93 1
. 1 . 171 . 1 1 13 ILE HD11 H 46.761 14.987 -1.143 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD11 . . . . . . . . . rr_1a93 1
. 1 . 172 . 1 1 13 ILE HD12 H 47.039 14.314 0.463 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD12 . . . . . . . . . rr_1a93 1
. 1 . 173 . 1 1 13 ILE HD13 H 45.528 13.981 -0.383 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HD13 . . . . . . . . . rr_1a93 1
. 1 . 174 . 1 1 13 ILE HG12 H 45.745 15.903 1.500 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG12 . . . . . . . . . rr_1a93 1
. 1 . 175 . 1 1 13 ILE HG13 H 44.628 16.024 0.141 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG13 . . . . . . . . . rr_1a93 1
. 1 . 176 . 1 1 13 ILE HG21 H 47.621 18.620 1.018 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG21 . . . . . . . . . rr_1a93 1
. 1 . 177 . 1 1 13 ILE HG22 H 47.342 17.101 1.868 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG22 . . . . . . . . . rr_1a93 1
. 1 . 178 . 1 1 13 ILE HG23 H 48.474 17.161 0.517 . . . 1.0 . . . . . . . . . . . . A . 14 ILE HG23 . . . . . . . . . rr_1a93 1
. 1 . 179 . 1 1 13 ILE N N 44.280 18.043 -0.989 . . . 1.0 . . . . . . . . . . . . A . 14 ILE N . . . . . . . . . rr_1a93 1
. 1 . 180 . 1 1 13 ILE O O 46.346 20.606 -0.015 . . . 1.0 . . . . . . . . . . . . A . 14 ILE O . . . . . . . . . rr_1a93 1
. 1 . 181 . 1 1 14 SER C C 46.398 21.890 -2.614 . . . 1.0 . . . . . . . . . . . . A . 15 SER C . . . . . . . . . rr_1a93 1
. 1 . 182 . 1 1 14 SER CA C 47.243 20.618 -2.630 . . . 1.0 . . . . . . . . . . . . A . 15 SER CA . . . . . . . . . rr_1a93 1
. 1 . 183 . 1 1 14 SER CB C 47.572 20.258 -4.078 . . . 1.0 . . . . . . . . . . . . A . 15 SER CB . . . . . . . . . rr_1a93 1
. 1 . 184 . 1 1 14 SER H H 46.350 18.698 -2.481 . . . 1.0 . . . . . . . . . . . . A . 15 SER H . . . . . . . . . rr_1a93 1
. 1 . 185 . 1 1 14 SER HA H 48.164 20.801 -2.097 . . . 1.0 . . . . . . . . . . . . A . 15 SER HA . . . . . . . . . rr_1a93 1
. 1 . 186 . 1 1 14 SER HB2 H 46.709 20.428 -4.699 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB2 . . . . . . . . . rr_1a93 1
. 1 . 187 . 1 1 14 SER HB3 H 48.390 20.877 -4.425 . . . 1.0 . . . . . . . . . . . . A . 15 SER HB3 . . . . . . . . . rr_1a93 1
. 1 . 188 . 1 1 14 SER HG H 47.475 18.494 -4.895 . . . 1.0 . . . . . . . . . . . . A . 15 SER HG . . . . . . . . . rr_1a93 1
. 1 . 189 . 1 1 14 SER N N 46.534 19.519 -1.978 . . . 1.0 . . . . . . . . . . . . A . 15 SER N . . . . . . . . . rr_1a93 1
. 1 . 190 . 1 1 14 SER O O 46.916 22.993 -2.439 . . . 1.0 . . . . . . . . . . . . A . 15 SER O . . . . . . . . . rr_1a93 1
. 1 . 191 . 1 1 14 SER OG O 47.937 18.886 -4.150 . . . 1.0 . . . . . . . . . . . . A . 15 SER OG . . . . . . . . . rr_1a93 1
. 1 . 192 . 1 1 15 GLU C C 44.067 23.452 -1.398 . . . 1.0 . . . . . . . . . . . . A . 16 GLU C . . . . . . . . . rr_1a93 1
. 1 . 193 . 1 1 15 GLU CA C 44.181 22.864 -2.800 . . . 1.0 . . . . . . . . . . . . A . 16 GLU CA . . . . . . . . . rr_1a93 1
. 1 . 194 . 1 1 15 GLU CB C 42.791 22.441 -3.279 . . . 1.0 . . . . . . . . . . . . A . 16 GLU CB . . . . . . . . . rr_1a93 1
. 1 . 195 . 1 1 15 GLU CD C 40.773 23.223 -4.520 . . . 1.0 . . . . . . . . . . . . A . 16 GLU CD . . . . . . . . . rr_1a93 1
. 1 . 196 . 1 1 15 GLU CG C 42.028 23.670 -3.778 . . . 1.0 . . . . . . . . . . . . A . 16 GLU CG . . . . . . . . . rr_1a93 1
. 1 . 197 . 1 1 15 GLU H H 44.735 20.819 -2.930 . . . 1.0 . . . . . . . . . . . . A . 16 GLU H . . . . . . . . . rr_1a93 1
. 1 . 198 . 1 1 15 GLU HA H 44.567 23.619 -3.468 . . . 1.0 . . . . . . . . . . . . A . 16 GLU HA . . . . . . . . . rr_1a93 1
. 1 . 199 . 1 1 15 GLU HB2 H 42.890 21.727 -4.083 . . . 1.0 . . . . . . . . . . . . A . 16 GLU HB2 . . . . . . . . . rr_1a93 1
. 1 . 200 . 1 1 15 GLU HB3 H 42.250 21.991 -2.461 . . . 1.0 . . . . . . . . . . . . A . 16 GLU HB3 . . . . . . . . . rr_1a93 1
. 1 . 201 . 1 1 15 GLU HG2 H 41.749 24.287 -2.936 . . . 1.0 . . . . . . . . . . . . A . 16 GLU HG2 . . . . . . . . . rr_1a93 1
. 1 . 202 . 1 1 15 GLU HG3 H 42.657 24.237 -4.448 . . . 1.0 . . . . . . . . . . . . A . 16 GLU HG3 . . . . . . . . . rr_1a93 1
. 1 . 203 . 1 1 15 GLU N N 45.092 21.722 -2.797 . . . 1.0 . . . . . . . . . . . . A . 16 GLU N . . . . . . . . . rr_1a93 1
. 1 . 204 . 1 1 15 GLU O O 44.035 24.670 -1.219 . . . 1.0 . . . . . . . . . . . . A . 16 GLU O . . . . . . . . . rr_1a93 1
. 1 . 205 . 1 1 15 GLU OE1 O 40.896 22.390 -5.404 . . . 1.0 . . . . . . . . . . . . A . 16 GLU OE1 . . . . . . . . . rr_1a93 1
. 1 . 206 . 1 1 15 GLU OE2 O 39.708 23.719 -4.194 . . . 1.0 . . . . . . . . . . . . A . 16 GLU OE2 . . . . . . . . . rr_1a93 1
. 1 . 207 . 1 1 16 GLU C C 45.185 23.700 1.424 . . . 1.0 . . . . . . . . . . . . A . 17 GLU C . . . . . . . . . rr_1a93 1
. 1 . 208 . 1 1 16 GLU CA C 43.898 23.010 0.985 . . . 1.0 . . . . . . . . . . . . A . 17 GLU CA . . . . . . . . . rr_1a93 1
. 1 . 209 . 1 1 16 GLU CB C 43.632 21.817 1.906 . . . 1.0 . . . . . . . . . . . . A . 17 GLU CB . . . . . . . . . rr_1a93 1
. 1 . 210 . 1 1 16 GLU CD C 43.743 21.284 4.340 . . . 1.0 . . . . . . . . . . . . A . 17 GLU CD . . . . . . . . . rr_1a93 1
. 1 . 211 . 1 1 16 GLU CG C 43.302 22.321 3.312 . . . 1.0 . . . . . . . . . . . . A . 17 GLU CG . . . . . . . . . rr_1a93 1
. 1 . 212 . 1 1 16 GLU H H 44.039 21.613 -0.605 . . . 1.0 . . . . . . . . . . . . A . 17 GLU H . . . . . . . . . rr_1a93 1
. 1 . 213 . 1 1 16 GLU HA H 43.079 23.707 1.070 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HA . . . . . . . . . rr_1a93 1
. 1 . 214 . 1 1 16 GLU HB2 H 42.799 21.246 1.522 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HB2 . . . . . . . . . rr_1a93 1
. 1 . 215 . 1 1 16 GLU HB3 H 44.511 21.191 1.947 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HB3 . . . . . . . . . rr_1a93 1
. 1 . 216 . 1 1 16 GLU HG2 H 43.821 23.251 3.492 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HG2 . . . . . . . . . rr_1a93 1
. 1 . 217 . 1 1 16 GLU HG3 H 42.238 22.480 3.398 . . . 1.0 . . . . . . . . . . . . A . 17 GLU HG3 . . . . . . . . . rr_1a93 1
. 1 . 218 . 1 1 16 GLU N N 44.007 22.571 -0.403 . . . 1.0 . . . . . . . . . . . . A . 17 GLU N . . . . . . . . . rr_1a93 1
. 1 . 219 . 1 1 16 GLU O O 45.157 24.746 2.072 . . . 1.0 . . . . . . . . . . . . A . 17 GLU O . . . . . . . . . rr_1a93 1
. 1 . 220 . 1 1 16 GLU OE1 O 44.915 21.276 4.679 . . . 1.0 . . . . . . . . . . . . A . 17 GLU OE1 . . . . . . . . . rr_1a93 1
. 1 . 221 . 1 1 16 GLU OE2 O 42.902 20.514 4.773 . . . 1.0 . . . . . . . . . . . . A . 17 GLU OE2 . . . . . . . . . rr_1a93 1
. 1 . 222 . 1 1 17 ASP C C 47.785 25.044 0.784 . . . 1.0 . . . . . . . . . . . . A . 18 ASP C . . . . . . . . . rr_1a93 1
. 1 . 223 . 1 1 17 ASP CA C 47.615 23.666 1.416 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CA . . . . . . . . . rr_1a93 1
. 1 . 224 . 1 1 17 ASP CB C 48.747 22.754 0.936 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CB . . . . . . . . . rr_1a93 1
. 1 . 225 . 1 1 17 ASP CG C 49.995 23.005 1.775 . . . 1.0 . . . . . . . . . . . . A . 18 ASP CG . . . . . . . . . rr_1a93 1
. 1 . 226 . 1 1 17 ASP H H 46.277 22.270 0.541 . . . 1.0 . . . . . . . . . . . . A . 18 ASP H . . . . . . . . . rr_1a93 1
. 1 . 227 . 1 1 17 ASP HA H 47.675 23.762 2.490 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HA . . . . . . . . . rr_1a93 1
. 1 . 228 . 1 1 17 ASP HB2 H 48.445 21.722 1.038 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB2 . . . . . . . . . rr_1a93 1
. 1 . 229 . 1 1 17 ASP HB3 H 48.964 22.964 -0.101 . . . 1.0 . . . . . . . . . . . . A . 18 ASP HB3 . . . . . . . . . rr_1a93 1
. 1 . 230 . 1 1 17 ASP N N 46.316 23.101 1.059 . . . 1.0 . . . . . . . . . . . . A . 18 ASP N . . . . . . . . . rr_1a93 1
. 1 . 231 . 1 1 17 ASP O O 48.420 25.931 1.354 . . . 1.0 . . . . . . . . . . . . A . 18 ASP O . . . . . . . . . rr_1a93 1
. 1 . 232 . 1 1 17 ASP OD1 O 50.592 24.057 1.612 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD1 . . . . . . . . . rr_1a93 1
. 1 . 233 . 1 1 17 ASP OD2 O 50.335 22.143 2.568 . . . 1.0 . . . . . . . . . . . . A . 18 ASP OD2 . . . . . . . . . rr_1a93 1
. 1 . 234 . 1 1 18 LEU C C 46.622 27.589 -0.290 . . . 1.0 . . . . . . . . . . . . A . 19 LEU C . . . . . . . . . rr_1a93 1
. 1 . 235 . 1 1 18 LEU CA C 47.292 26.489 -1.107 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CA . . . . . . . . . rr_1a93 1
. 1 . 236 . 1 1 18 LEU CB C 46.611 26.395 -2.473 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CB . . . . . . . . . rr_1a93 1
. 1 . 237 . 1 1 18 LEU CD1 C 46.945 26.917 -4.894 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CD1 . . . . . . . . . rr_1a93 1
. 1 . 238 . 1 1 18 LEU CD2 C 46.926 28.761 -3.209 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CD2 . . . . . . . . . rr_1a93 1
. 1 . 239 . 1 1 18 LEU CG C 47.331 27.308 -3.467 . . . 1.0 . . . . . . . . . . . . A . 19 LEU CG . . . . . . . . . rr_1a93 1
. 1 . 240 . 1 1 18 LEU H H 46.709 24.471 -0.807 . . . 1.0 . . . . . . . . . . . . A . 19 LEU H . . . . . . . . . rr_1a93 1
. 1 . 241 . 1 1 18 LEU HA H 48.332 26.740 -1.250 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HA . . . . . . . . . rr_1a93 1
. 1 . 242 . 1 1 18 LEU HB2 H 46.651 25.375 -2.826 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HB2 . . . . . . . . . rr_1a93 1
. 1 . 243 . 1 1 18 LEU HB3 H 45.580 26.706 -2.384 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HB3 . . . . . . . . . rr_1a93 1
. 1 . 244 . 1 1 18 LEU HD11 H 47.192 25.879 -5.062 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD11 . . . . . . . . . rr_1a93 1
. 1 . 245 . 1 1 18 LEU HD12 H 45.884 27.062 -5.032 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD12 . . . . . . . . . rr_1a93 1
. 1 . 246 . 1 1 18 LEU HD13 H 47.487 27.534 -5.595 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD13 . . . . . . . . . rr_1a93 1
. 1 . 247 . 1 1 18 LEU HD21 H 45.858 28.816 -3.059 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD21 . . . . . . . . . rr_1a93 1
. 1 . 248 . 1 1 18 LEU HD22 H 47.432 29.126 -2.327 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD22 . . . . . . . . . rr_1a93 1
. 1 . 249 . 1 1 18 LEU HD23 H 47.201 29.368 -4.059 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HD23 . . . . . . . . . rr_1a93 1
. 1 . 250 . 1 1 18 LEU HG H 48.399 27.203 -3.342 . . . 1.0 . . . . . . . . . . . . A . 19 LEU HG . . . . . . . . . rr_1a93 1
. 1 . 251 . 1 1 18 LEU N N 47.205 25.213 -0.402 . . . 1.0 . . . . . . . . . . . . A . 19 LEU N . . . . . . . . . rr_1a93 1
. 1 . 252 . 1 1 18 LEU O O 47.159 28.686 -0.141 . . . 1.0 . . . . . . . . . . . . A . 19 LEU O . . . . . . . . . rr_1a93 1
. 1 . 253 . 1 1 19 LEU C C 45.447 28.521 2.350 . . . 1.0 . . . . . . . . . . . . A . 20 LEU C . . . . . . . . . rr_1a93 1
. 1 . 254 . 1 1 19 LEU CA C 44.704 28.245 1.047 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CA . . . . . . . . . rr_1a93 1
. 1 . 255 . 1 1 19 LEU CB C 43.306 27.716 1.370 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CB . . . . . . . . . rr_1a93 1
. 1 . 256 . 1 1 19 LEU CD1 C 41.167 27.156 0.207 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD1 . . . . . . . . . rr_1a93 1
. 1 . 257 . 1 1 19 LEU CD2 C 41.788 29.544 0.598 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CD2 . . . . . . . . . rr_1a93 1
. 1 . 258 . 1 1 19 LEU CG C 42.329 28.149 0.276 . . . 1.0 . . . . . . . . . . . . A . 20 LEU CG . . . . . . . . . rr_1a93 1
. 1 . 259 . 1 1 19 LEU H H 45.065 26.387 0.090 . . . 1.0 . . . . . . . . . . . . A . 20 LEU H . . . . . . . . . rr_1a93 1
. 1 . 260 . 1 1 19 LEU HA H 44.611 29.167 0.493 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HA . . . . . . . . . rr_1a93 1
. 1 . 261 . 1 1 19 LEU HB2 H 43.333 26.637 1.424 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB2 . . . . . . . . . rr_1a93 1
. 1 . 262 . 1 1 19 LEU HB3 H 42.980 28.116 2.319 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HB3 . . . . . . . . . rr_1a93 1
. 1 . 263 . 1 1 19 LEU HD11 H 41.555 26.149 0.167 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD11 . . . . . . . . . rr_1a93 1
. 1 . 264 . 1 1 19 LEU HD12 H 40.546 27.268 1.084 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD12 . . . . . . . . . rr_1a93 1
. 1 . 265 . 1 1 19 LEU HD13 H 40.578 27.351 -0.677 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD13 . . . . . . . . . rr_1a93 1
. 1 . 266 . 1 1 19 LEU HD21 H 42.551 30.118 1.103 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD21 . . . . . . . . . rr_1a93 1
. 1 . 267 . 1 1 19 LEU HD22 H 41.510 30.043 -0.318 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD22 . . . . . . . . . rr_1a93 1
. 1 . 268 . 1 1 19 LEU HD23 H 40.922 29.455 1.237 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HD23 . . . . . . . . . rr_1a93 1
. 1 . 269 . 1 1 19 LEU HG H 42.841 28.169 -0.676 . . . 1.0 . . . . . . . . . . . . A . 20 LEU HG . . . . . . . . . rr_1a93 1
. 1 . 270 . 1 1 19 LEU N N 45.443 27.279 0.240 . . . 1.0 . . . . . . . . . . . . A . 20 LEU N . . . . . . . . . rr_1a93 1
. 1 . 271 . 1 1 19 LEU O O 45.408 29.630 2.883 . . . 1.0 . . . . . . . . . . . . A . 20 LEU O . . . . . . . . . rr_1a93 1
. 1 . 272 . 1 1 20 ARG C C 48.012 28.641 3.924 . . . 1.0 . . . . . . . . . . . . A . 21 ARG C . . . . . . . . . rr_1a93 1
. 1 . 273 . 1 1 20 ARG CA C 46.882 27.632 4.099 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CA . . . . . . . . . rr_1a93 1
. 1 . 274 . 1 1 20 ARG CB C 47.476 26.285 4.517 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CB . . . . . . . . . rr_1a93 1
. 1 . 275 . 1 1 20 ARG CD C 46.845 23.995 5.298 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CD . . . . . . . . . rr_1a93 1
. 1 . 276 . 1 1 20 ARG CG C 46.413 25.462 5.247 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CG . . . . . . . . . rr_1a93 1
. 1 . 277 . 1 1 20 ARG CZ C 48.688 22.688 6.260 . . . 1.0 . . . . . . . . . . . . A . 21 ARG CZ . . . . . . . . . rr_1a93 1
. 1 . 278 . 1 1 20 ARG H H 46.124 26.635 2.388 . . . 1.0 . . . . . . . . . . . . A . 21 ARG H . . . . . . . . . rr_1a93 1
. 1 . 279 . 1 1 20 ARG HA H 46.218 27.978 4.877 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HA . . . . . . . . . rr_1a93 1
. 1 . 280 . 1 1 20 ARG HB2 H 47.807 25.750 3.639 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB2 . . . . . . . . . rr_1a93 1
. 1 . 281 . 1 1 20 ARG HB3 H 48.315 26.451 5.176 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HB3 . . . . . . . . . rr_1a93 1
. 1 . 282 . 1 1 20 ARG HD2 H 46.147 23.439 5.904 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD2 . . . . . . . . . rr_1a93 1
. 1 . 283 . 1 1 20 ARG HD3 H 46.844 23.591 4.296 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HD3 . . . . . . . . . rr_1a93 1
. 1 . 284 . 1 1 20 ARG HE H 48.735 24.675 5.977 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HE . . . . . . . . . rr_1a93 1
. 1 . 285 . 1 1 20 ARG HG2 H 46.296 25.838 6.253 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG2 . . . . . . . . . rr_1a93 1
. 1 . 286 . 1 1 20 ARG HG3 H 45.473 25.541 4.722 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HG3 . . . . . . . . . rr_1a93 1
. 1 . 287 . 1 1 20 ARG HH11 H 47.070 21.604 5.759 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH11 . . . . . . . . . rr_1a93 1
. 1 . 288 . 1 1 20 ARG HH12 H 48.388 20.713 6.439 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH12 . . . . . . . . . rr_1a93 1
. 1 . 289 . 1 1 20 ARG HH21 H 50.429 23.476 6.859 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH21 . . . . . . . . . rr_1a93 1
. 1 . 290 . 1 1 20 ARG HH22 H 50.275 21.762 7.057 . . . 1.0 . . . . . . . . . . . . A . 21 ARG HH22 . . . . . . . . . rr_1a93 1
. 1 . 291 . 1 1 20 ARG N N 46.128 27.495 2.857 . . . 1.0 . . . . . . . . . . . . A . 21 ARG N . . . . . . . . . rr_1a93 1
. 1 . 292 . 1 1 20 ARG NE N 48.187 23.870 5.873 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NE . . . . . . . . . rr_1a93 1
. 1 . 293 . 1 1 20 ARG NH1 N 47.993 21.582 6.143 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH1 . . . . . . . . . rr_1a93 1
. 1 . 294 . 1 1 20 ARG NH2 N 49.891 22.638 6.764 . . . 1.0 . . . . . . . . . . . . A . 21 ARG NH2 . . . . . . . . . rr_1a93 1
. 1 . 295 . 1 1 20 ARG O O 48.294 29.441 4.817 . . . 1.0 . . . . . . . . . . . . A . 21 ARG O . . . . . . . . . rr_1a93 1
. 1 . 296 . 1 1 21 LYS C C 49.250 30.948 2.428 . . . 1.0 . . . . . . . . . . . . A . 22 LYS C . . . . . . . . . rr_1a93 1
. 1 . 297 . 1 1 21 LYS CA C 49.756 29.510 2.473 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CA . . . . . . . . . rr_1a93 1
. 1 . 298 . 1 1 21 LYS CB C 50.402 29.166 1.129 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CB . . . . . . . . . rr_1a93 1
. 1 . 299 . 1 1 21 LYS CD C 52.624 28.765 0.056 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CD . . . . . . . . . rr_1a93 1
. 1 . 300 . 1 1 21 LYS CE C 54.041 28.418 0.518 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CE . . . . . . . . . rr_1a93 1
. 1 . 301 . 1 1 21 LYS CG C 51.892 29.513 1.172 . . . 1.0 . . . . . . . . . . . . A . 22 LYS CG . . . . . . . . . rr_1a93 1
. 1 . 302 . 1 1 21 LYS H H 48.386 27.936 2.087 . . . 1.0 . . . . . . . . . . . . A . 22 LYS H . . . . . . . . . rr_1a93 1
. 1 . 303 . 1 1 21 LYS HA H 50.500 29.422 3.251 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HA . . . . . . . . . rr_1a93 1
. 1 . 304 . 1 1 21 LYS HB2 H 50.283 28.110 0.933 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HB2 . . . . . . . . . rr_1a93 1
. 1 . 305 . 1 1 21 LYS HB3 H 49.925 29.734 0.344 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HB3 . . . . . . . . . rr_1a93 1
. 1 . 306 . 1 1 21 LYS HD2 H 52.088 27.857 -0.180 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HD2 . . . . . . . . . rr_1a93 1
. 1 . 307 . 1 1 21 LYS HD3 H 52.677 29.391 -0.822 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HD3 . . . . . . . . . rr_1a93 1
. 1 . 308 . 1 1 21 LYS HE2 H 54.027 28.172 1.569 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HE2 . . . . . . . . . rr_1a93 1
. 1 . 309 . 1 1 21 LYS HE3 H 54.405 27.571 -0.045 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HE3 . . . . . . . . . rr_1a93 1
. 1 . 310 . 1 1 21 LYS HG2 H 52.017 30.577 1.036 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HG2 . . . . . . . . . rr_1a93 1
. 1 . 311 . 1 1 21 LYS HG3 H 52.302 29.221 2.128 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HG3 . . . . . . . . . rr_1a93 1
. 1 . 312 . 1 1 21 LYS HZ1 H 54.904 29.862 -0.709 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HZ1 . . . . . . . . . rr_1a93 1
. 1 . 313 . 1 1 21 LYS HZ2 H 54.622 30.383 0.883 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HZ2 . . . . . . . . . rr_1a93 1
. 1 . 314 . 1 1 21 LYS HZ3 H 55.912 29.331 0.547 . . . 1.0 . . . . . . . . . . . . A . 22 LYS HZ3 . . . . . . . . . rr_1a93 1
. 1 . 315 . 1 1 21 LYS N N 48.656 28.594 2.761 . . . 1.0 . . . . . . . . . . . . A . 22 LYS N . . . . . . . . . rr_1a93 1
. 1 . 316 . 1 1 21 LYS NZ N 54.937 29.587 0.292 . . . 1.0 . . . . . . . . . . . . A . 22 LYS NZ . . . . . . . . . rr_1a93 1
. 1 . 317 . 1 1 21 LYS O O 49.938 31.878 2.851 . . . 1.0 . . . . . . . . . . . . A . 22 LYS O . . . . . . . . . rr_1a93 1
. 1 . 318 . 1 1 22 ARG C C 47.007 32.937 3.193 . . . 1.0 . . . . . . . . . . . . A . 23 ARG C . . . . . . . . . rr_1a93 1
. 1 . 319 . 1 1 22 ARG CA C 47.440 32.447 1.815 . . . 1.0 . . . . . . . . . . . . A . 23 ARG CA . . . . . . . . . rr_1a93 1
. 1 . 320 . 1 1 22 ARG CB C 46.221 32.422 0.890 . . . 1.0 . . . . . . . . . . . . A . 23 ARG CB . . . . . . . . . rr_1a93 1
. 1 . 321 . 1 1 22 ARG CD C 44.535 33.891 -0.223 . . . 1.0 . . . . . . . . . . . . A . 23 ARG CD . . . . . . . . . rr_1a93 1
. 1 . 322 . 1 1 22 ARG CG C 45.942 33.835 0.375 . . . 1.0 . . . . . . . . . . . . A . 23 ARG CG . . . . . . . . . rr_1a93 1
. 1 . 323 . 1 1 22 ARG CZ C 44.836 35.649 -1.912 . . . 1.0 . . . . . . . . . . . . A . 23 ARG CZ . . . . . . . . . rr_1a93 1
. 1 . 324 . 1 1 22 ARG H H 47.535 30.340 1.592 . . . 1.0 . . . . . . . . . . . . A . 23 ARG H . . . . . . . . . rr_1a93 1
. 1 . 325 . 1 1 22 ARG HA H 48.170 33.132 1.411 . . . 1.0 . . . . . . . . . . . . A . 23 ARG HA . . . . . . . . . rr_1a93 1
. 1 . 326 . 1 1 22 ARG HB2 H 46.417 31.765 0.055 . . . 1.0 . . . . . . . . . . . . A . 23 ARG HB2 . . . . . . . . . rr_1a93 1
. 1 . 327 . 1 1 22 ARG HB3 H 45.362 32.063 1.436 . . . 1.0 . . . . . . . . . . . . A . 23 ARG HB3 . . . . . . . . . rr_1a93 1
. 1 . 328 . 1 1 22 ARG HD2 H 44.452 33.156 -1.008 . . . 1.0 . . . . . . . . . . . . A . 23 ARG HD2 . . . . . . . . . rr_1a93 1
. 1 . 329 . 1 1 22 ARG HD3 H 43.812 33.670 0.549 . . . 1.0 . . . . . . . . . . . . A . 23 ARG HD3 . . . . . . . . . rr_1a93 1
. 1 . 330 . 1 1 22 ARG HE H 43.641 35.812 -0.307 . . . 1.0 . . . . . . . . . . . . A . 23 ARG HE . . . . . . . . . rr_1a93 1
. 1 . 331 . 1 1 22 ARG HG2 H 46.015 34.537 1.193 . . . 1.0 . . . . . . . . . . . . A . 23 ARG HG2 . . . . . . . . . rr_1a93 1
. 1 . 332 . 1 1 22 ARG HG3 H 46.664 34.090 -0.385 . . . 1.0 . . . . . . . . . . . . A . 23 ARG HG3 . . . . . . . . . rr_1a93 1
. 1 . 333 . 1 1 22 ARG HH11 H 45.906 33.980 -2.248 . . . 1.0 . . . . . . . . . . . . A . 23 ARG HH11 . . . . . . . . . rr_1a93 1
. 1 . 334 . 1 1 22 ARG HH12 H 46.091 35.237 -3.421 . . . 1.0 . . . . . . . . . . . . A . 23 ARG HH12 . . . . . . . . . rr_1a93 1
. 1 . 335 . 1 1 22 ARG HH21 H 43.913 37.425 -1.860 . . . 1.0 . . . . . . . . . . . . A . 23 ARG HH21 . . . . . . . . . rr_1a93 1
. 1 . 336 . 1 1 22 ARG HH22 H 44.973 37.171 -3.205 . . . 1.0 . . . . . . . . . . . . A . 23 ARG HH22 . . . . . . . . . rr_1a93 1
. 1 . 337 . 1 1 22 ARG N N 48.037 31.118 1.911 . . . 1.0 . . . . . . . . . . . . A . 23 ARG N . . . . . . . . . rr_1a93 1
. 1 . 338 . 1 1 22 ARG NE N 44.263 35.219 -0.778 . . . 1.0 . . . . . . . . . . . . A . 23 ARG NE . . . . . . . . . rr_1a93 1
. 1 . 339 . 1 1 22 ARG NH1 N 45.677 34.894 -2.578 . . . 1.0 . . . . . . . . . . . . A . 23 ARG NH1 . . . . . . . . . rr_1a93 1
. 1 . 340 . 1 1 22 ARG NH2 N 44.552 36.841 -2.361 . . . 1.0 . . . . . . . . . . . . A . 23 ARG NH2 . . . . . . . . . rr_1a93 1
. 1 . 341 . 1 1 22 ARG O O 47.079 34.128 3.496 . . . 1.0 . . . . . . . . . . . . A . 23 ARG O . . . . . . . . . rr_1a93 1
. 1 . 342 . 1 1 23 ARG C C 47.267 32.933 6.180 . . . 1.0 . . . . . . . . . . . . A . 24 ARG C . . . . . . . . . rr_1a93 1
. 1 . 343 . 1 1 23 ARG CA C 46.113 32.345 5.373 . . . 1.0 . . . . . . . . . . . . A . 24 ARG CA . . . . . . . . . rr_1a93 1
. 1 . 344 . 1 1 23 ARG CB C 45.583 31.104 6.095 . . . 1.0 . . . . . . . . . . . . A . 24 ARG CB . . . . . . . . . rr_1a93 1
. 1 . 345 . 1 1 23 ARG CD C 43.591 30.525 7.487 . . . 1.0 . . . . . . . . . . . . A . 24 ARG CD . . . . . . . . . rr_1a93 1
. 1 . 346 . 1 1 23 ARG CG C 44.723 31.533 7.285 . . . 1.0 . . . . . . . . . . . . A . 24 ARG CG . . . . . . . . . rr_1a93 1
. 1 . 347 . 1 1 23 ARG CZ C 44.032 29.831 9.802 . . . 1.0 . . . . . . . . . . . . A . 24 ARG CZ . . . . . . . . . rr_1a93 1
. 1 . 348 . 1 1 23 ARG H H 46.522 31.068 3.728 . . . 1.0 . . . . . . . . . . . . A . 24 ARG H . . . . . . . . . rr_1a93 1
. 1 . 349 . 1 1 23 ARG HA H 45.322 33.076 5.308 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HA . . . . . . . . . rr_1a93 1
. 1 . 350 . 1 1 23 ARG HB2 H 44.986 30.518 5.410 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HB2 . . . . . . . . . rr_1a93 1
. 1 . 351 . 1 1 23 ARG HB3 H 46.413 30.510 6.448 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HB3 . . . . . . . . . rr_1a93 1
. 1 . 352 . 1 1 23 ARG HD2 H 42.727 30.842 6.925 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HD2 . . . . . . . . . rr_1a93 1
. 1 . 353 . 1 1 23 ARG HD3 H 43.911 29.556 7.131 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HD3 . . . . . . . . . rr_1a93 1
. 1 . 354 . 1 1 23 ARG HE H 42.382 30.808 9.206 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HE . . . . . . . . . rr_1a93 1
. 1 . 355 . 1 1 23 ARG HG2 H 45.335 31.572 8.175 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HG2 . . . . . . . . . rr_1a93 1
. 1 . 356 . 1 1 23 ARG HG3 H 44.303 32.509 7.093 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HG3 . . . . . . . . . rr_1a93 1
. 1 . 357 . 1 1 23 ARG HH11 H 45.483 29.346 8.496 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HH11 . . . . . . . . . rr_1a93 1
. 1 . 358 . 1 1 23 ARG HH12 H 45.760 28.869 10.136 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HH12 . . . . . . . . . rr_1a93 1
. 1 . 359 . 1 1 23 ARG HH21 H 42.784 30.168 11.331 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HH21 . . . . . . . . . rr_1a93 1
. 1 . 360 . 1 1 23 ARG HH22 H 44.247 29.329 11.728 . . . 1.0 . . . . . . . . . . . . A . 24 ARG HH22 . . . . . . . . . rr_1a93 1
. 1 . 361 . 1 1 23 ARG N N 46.557 32.002 4.025 . . . 1.0 . . . . . . . . . . . . A . 24 ARG N . . . . . . . . . rr_1a93 1
. 1 . 362 . 1 1 23 ARG NE N 43.233 30.427 8.905 . . . 1.0 . . . . . . . . . . . . A . 24 ARG NE . . . . . . . . . rr_1a93 1
. 1 . 363 . 1 1 23 ARG NH1 N 45.182 29.308 9.448 . . . 1.0 . . . . . . . . . . . . A . 24 ARG NH1 . . . . . . . . . rr_1a93 1
. 1 . 364 . 1 1 23 ARG NH2 N 43.659 29.772 11.051 . . . 1.0 . . . . . . . . . . . . A . 24 ARG NH2 . . . . . . . . . rr_1a93 1
. 1 . 365 . 1 1 23 ARG O O 47.073 33.816 7.015 . . . 1.0 . . . . . . . . . . . . A . 24 ARG O . . . . . . . . . rr_1a93 1
. 1 . 366 . 1 1 24 GLU C C 50.021 34.316 6.155 . . . 1.0 . . . . . . . . . . . . A . 25 GLU C . . . . . . . . . rr_1a93 1
. 1 . 367 . 1 1 24 GLU CA C 49.655 32.912 6.625 . . . 1.0 . . . . . . . . . . . . A . 25 GLU CA . . . . . . . . . rr_1a93 1
. 1 . 368 . 1 1 24 GLU CB C 50.842 31.979 6.379 . . . 1.0 . . . . . . . . . . . . A . 25 GLU CB . . . . . . . . . rr_1a93 1
. 1 . 369 . 1 1 24 GLU CD C 52.154 30.109 7.380 . . . 1.0 . . . . . . . . . . . . A . 25 GLU CD . . . . . . . . . rr_1a93 1
. 1 . 370 . 1 1 24 GLU CG C 50.816 30.839 7.399 . . . 1.0 . . . . . . . . . . . . A . 25 GLU CG . . . . . . . . . rr_1a93 1
. 1 . 371 . 1 1 24 GLU H H 48.564 31.728 5.242 . . . 1.0 . . . . . . . . . . . . A . 25 GLU H . . . . . . . . . rr_1a93 1
. 1 . 372 . 1 1 24 GLU HA H 49.446 32.939 7.684 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HA . . . . . . . . . rr_1a93 1
. 1 . 373 . 1 1 24 GLU HB2 H 50.778 31.571 5.381 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HB2 . . . . . . . . . rr_1a93 1
. 1 . 374 . 1 1 24 GLU HB3 H 51.763 32.532 6.484 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HB3 . . . . . . . . . rr_1a93 1
. 1 . 375 . 1 1 24 GLU HG2 H 50.640 31.243 8.386 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HG2 . . . . . . . . . rr_1a93 1
. 1 . 376 . 1 1 24 GLU HG3 H 50.027 30.147 7.147 . . . 1.0 . . . . . . . . . . . . A . 25 GLU HG3 . . . . . . . . . rr_1a93 1
. 1 . 377 . 1 1 24 GLU N N 48.471 32.431 5.919 . . . 1.0 . . . . . . . . . . . . A . 25 GLU N . . . . . . . . . rr_1a93 1
. 1 . 378 . 1 1 24 GLU O O 50.338 35.192 6.960 . . . 1.0 . . . . . . . . . . . . A . 25 GLU O . . . . . . . . . rr_1a93 1
. 1 . 379 . 1 1 24 GLU OE1 O 52.482 29.541 6.351 . . . 1.0 . . . . . . . . . . . . A . 25 GLU OE1 . . . . . . . . . rr_1a93 1
. 1 . 380 . 1 1 24 GLU OE2 O 52.832 30.128 8.394 . . . 1.0 . . . . . . . . . . . . A . 25 GLU OE2 . . . . . . . . . rr_1a93 1
. 1 . 381 . 1 1 25 GLN C C 49.298 36.873 4.730 . . . 1.0 . . . . . . . . . . . . A . 26 GLN C . . . . . . . . . rr_1a93 1
. 1 . 382 . 1 1 25 GLN CA C 50.304 35.822 4.271 . . . 1.0 . . . . . . . . . . . . A . 26 GLN CA . . . . . . . . . rr_1a93 1
. 1 . 383 . 1 1 25 GLN CB C 50.295 35.757 2.743 . . . 1.0 . . . . . . . . . . . . A . 26 GLN CB . . . . . . . . . rr_1a93 1
. 1 . 384 . 1 1 25 GLN CD C 51.784 35.515 0.756 . . . 1.0 . . . . . . . . . . . . A . 26 GLN CD . . . . . . . . . rr_1a93 1
. 1 . 385 . 1 1 25 GLN CG C 51.639 35.223 2.246 . . . 1.0 . . . . . . . . . . . . A . 26 GLN CG . . . . . . . . . rr_1a93 1
. 1 . 386 . 1 1 25 GLN H H 49.715 33.784 4.248 . . . 1.0 . . . . . . . . . . . . A . 26 GLN H . . . . . . . . . rr_1a93 1
. 1 . 387 . 1 1 25 GLN HA H 51.290 36.112 4.602 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HA . . . . . . . . . rr_1a93 1
. 1 . 388 . 1 1 25 GLN HB2 H 49.502 35.100 2.415 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HB2 . . . . . . . . . rr_1a93 1
. 1 . 389 . 1 1 25 GLN HB3 H 50.132 36.746 2.341 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HB3 . . . . . . . . . rr_1a93 1
. 1 . 390 . 1 1 25 GLN HE21 H 53.511 36.472 0.967 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HE21 . . . . . . . . . rr_1a93 1
. 1 . 391 . 1 1 25 GLN HE22 H 52.930 36.364 -0.625 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HE22 . . . . . . . . . rr_1a93 1
. 1 . 392 . 1 1 25 GLN HG2 H 52.440 35.704 2.787 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HG2 . . . . . . . . . rr_1a93 1
. 1 . 393 . 1 1 25 GLN HG3 H 51.685 34.156 2.407 . . . 1.0 . . . . . . . . . . . . A . 26 GLN HG3 . . . . . . . . . rr_1a93 1
. 1 . 394 . 1 1 25 GLN N N 49.975 34.519 4.842 . . . 1.0 . . . . . . . . . . . . A . 26 GLN N . . . . . . . . . rr_1a93 1
. 1 . 395 . 1 1 25 GLN NE2 N 52.828 36.172 0.331 . . . 1.0 . . . . . . . . . . . . A . 26 GLN NE2 . . . . . . . . . rr_1a93 1
. 1 . 396 . 1 1 25 GLN O O 49.667 37.990 5.093 . . . 1.0 . . . . . . . . . . . . A . 26 GLN O . . . . . . . . . rr_1a93 1
. 1 . 397 . 1 1 25 GLN OE1 O 50.927 35.138 -0.043 . . . 1.0 . . . . . . . . . . . . A . 26 GLN OE1 . . . . . . . . . rr_1a93 1
. 1 . 398 . 1 1 26 LEU C C 47.105 37.757 6.605 . . . 1.0 . . . . . . . . . . . . A . 27 LEU C . . . . . . . . . rr_1a93 1
. 1 . 399 . 1 1 26 LEU CA C 46.963 37.418 5.125 . . . 1.0 . . . . . . . . . . . . A . 27 LEU CA . . . . . . . . . rr_1a93 1
. 1 . 400 . 1 1 26 LEU CB C 45.588 36.793 4.887 . . . 1.0 . . . . . . . . . . . . A . 27 LEU CB . . . . . . . . . rr_1a93 1
. 1 . 401 . 1 1 26 LEU CD1 C 44.172 35.728 3.125 . . . 1.0 . . . . . . . . . . . . A . 27 LEU CD1 . . . . . . . . . rr_1a93 1
. 1 . 402 . 1 1 26 LEU CD2 C 44.927 38.094 2.861 . . . 1.0 . . . . . . . . . . . . A . 27 LEU CD2 . . . . . . . . . rr_1a93 1
. 1 . 403 . 1 1 26 LEU CG C 45.316 36.710 3.384 . . . 1.0 . . . . . . . . . . . . A . 27 LEU CG . . . . . . . . . rr_1a93 1
. 1 . 404 . 1 1 26 LEU H H 47.786 35.598 4.409 . . . 1.0 . . . . . . . . . . . . A . 27 LEU H . . . . . . . . . rr_1a93 1
. 1 . 405 . 1 1 26 LEU HA H 47.039 38.327 4.547 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HA . . . . . . . . . rr_1a93 1
. 1 . 406 . 1 1 26 LEU HB2 H 45.566 35.800 5.313 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HB2 . . . . . . . . . rr_1a93 1
. 1 . 407 . 1 1 26 LEU HB3 H 44.829 37.402 5.355 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HB3 . . . . . . . . . rr_1a93 1
. 1 . 408 . 1 1 26 LEU HD11 H 44.350 34.815 3.676 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HD11 . . . . . . . . . rr_1a93 1
. 1 . 409 . 1 1 26 LEU HD12 H 43.240 36.167 3.449 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HD12 . . . . . . . . . rr_1a93 1
. 1 . 410 . 1 1 26 LEU HD13 H 44.119 35.507 2.070 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HD13 . . . . . . . . . rr_1a93 1
. 1 . 411 . 1 1 26 LEU HD21 H 44.211 38.545 3.532 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HD21 . . . . . . . . . rr_1a93 1
. 1 . 412 . 1 1 26 LEU HD22 H 45.807 38.717 2.802 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HD22 . . . . . . . . . rr_1a93 1
. 1 . 413 . 1 1 26 LEU HD23 H 44.488 37.997 1.878 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HD23 . . . . . . . . . rr_1a93 1
. 1 . 414 . 1 1 26 LEU HG H 46.206 36.367 2.877 . . . 1.0 . . . . . . . . . . . . A . 27 LEU HG . . . . . . . . . rr_1a93 1
. 1 . 415 . 1 1 26 LEU N N 48.021 36.501 4.709 . . . 1.0 . . . . . . . . . . . . A . 27 LEU N . . . . . . . . . rr_1a93 1
. 1 . 416 . 1 1 26 LEU O O 46.922 38.903 7.016 . . . 1.0 . . . . . . . . . . . . A . 27 LEU O . . . . . . . . . rr_1a93 1
. 1 . 417 . 1 1 27 LYS C C 48.894 37.691 9.129 . . . 1.0 . . . . . . . . . . . . A . 28 LYS C . . . . . . . . . rr_1a93 1
. 1 . 418 . 1 1 27 LYS CA C 47.598 36.940 8.840 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CA . . . . . . . . . rr_1a93 1
. 1 . 419 . 1 1 27 LYS CB C 47.630 35.592 9.564 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CB . . . . . . . . . rr_1a93 1
. 1 . 420 . 1 1 27 LYS CD C 47.491 34.474 11.794 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CD . . . . . . . . . rr_1a93 1
. 1 . 421 . 1 1 27 LYS CE C 46.529 34.439 12.983 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CE . . . . . . . . . rr_1a93 1
. 1 . 422 . 1 1 27 LYS CG C 47.337 35.802 11.050 . . . 1.0 . . . . . . . . . . . . A . 28 LYS CG . . . . . . . . . rr_1a93 1
. 1 . 423 . 1 1 27 LYS H H 47.565 35.852 7.019 . . . 1.0 . . . . . . . . . . . . A . 28 LYS H . . . . . . . . . rr_1a93 1
. 1 . 424 . 1 1 27 LYS HA H 46.766 37.517 9.214 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HA . . . . . . . . . rr_1a93 1
. 1 . 425 . 1 1 27 LYS HB2 H 46.884 34.937 9.137 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB2 . . . . . . . . . rr_1a93 1
. 1 . 426 . 1 1 27 LYS HB3 H 48.607 35.146 9.451 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HB3 . . . . . . . . . rr_1a93 1
. 1 . 427 . 1 1 27 LYS HD2 H 47.266 33.658 11.123 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD2 . . . . . . . . . rr_1a93 1
. 1 . 428 . 1 1 27 LYS HD3 H 48.505 34.377 12.152 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HD3 . . . . . . . . . rr_1a93 1
. 1 . 429 . 1 1 27 LYS HE2 H 46.546 35.393 13.489 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE2 . . . . . . . . . rr_1a93 1
. 1 . 430 . 1 1 27 LYS HE3 H 45.528 34.237 12.630 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HE3 . . . . . . . . . rr_1a93 1
. 1 . 431 . 1 1 27 LYS HG2 H 48.030 36.525 11.455 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG2 . . . . . . . . . rr_1a93 1
. 1 . 432 . 1 1 27 LYS HG3 H 46.327 36.164 11.170 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HG3 . . . . . . . . . rr_1a93 1
. 1 . 433 . 1 1 27 LYS HZ1 H 46.988 32.457 13.427 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ1 . . . . . . . . . rr_1a93 1
. 1 . 434 . 1 1 27 LYS HZ2 H 47.887 33.593 14.315 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ2 . . . . . . . . . rr_1a93 1
. 1 . 435 . 1 1 27 LYS HZ3 H 46.260 33.301 14.706 . . . 1.0 . . . . . . . . . . . . A . 28 LYS HZ3 . . . . . . . . . rr_1a93 1
. 1 . 436 . 1 1 27 LYS N N 47.433 36.744 7.402 . . . 1.0 . . . . . . . . . . . . A . 28 LYS N . . . . . . . . . rr_1a93 1
. 1 . 437 . 1 1 27 LYS NZ N 46.948 33.367 13.929 . . . 1.0 . . . . . . . . . . . . A . 28 LYS NZ . . . . . . . . . rr_1a93 1
. 1 . 438 . 1 1 27 LYS O O 48.981 38.463 10.085 . . . 1.0 . . . . . . . . . . . . A . 28 LYS O . . . . . . . . . rr_1a93 1
. 1 . 439 . 1 1 28 HIS C C 51.042 39.627 8.331 . . . 1.0 . . . . . . . . . . . . A . 29 HIS C . . . . . . . . . rr_1a93 1
. 1 . 440 . 1 1 28 HIS CA C 51.192 38.115 8.464 . . . 1.0 . . . . . . . . . . . . A . 29 HIS CA . . . . . . . . . rr_1a93 1
. 1 . 441 . 1 1 28 HIS CB C 52.189 37.619 7.415 . . . 1.0 . . . . . . . . . . . . A . 29 HIS CB . . . . . . . . . rr_1a93 1
. 1 . 442 . 1 1 28 HIS CD2 C 53.081 35.152 7.267 . . . 1.0 . . . . . . . . . . . . A . 29 HIS CD2 . . . . . . . . . rr_1a93 1
. 1 . 443 . 1 1 28 HIS CE1 C 53.815 34.961 9.296 . . . 1.0 . . . . . . . . . . . . A . 29 HIS CE1 . . . . . . . . . rr_1a93 1
. 1 . 444 . 1 1 28 HIS CG C 52.830 36.347 7.895 . . . 1.0 . . . . . . . . . . . . A . 29 HIS CG . . . . . . . . . rr_1a93 1
. 1 . 445 . 1 1 28 HIS H H 49.773 36.831 7.548 . . . 1.0 . . . . . . . . . . . . A . 29 HIS H . . . . . . . . . rr_1a93 1
. 1 . 446 . 1 1 28 HIS HA H 51.576 37.885 9.446 . . . 1.0 . . . . . . . . . . . . A . 29 HIS HA . . . . . . . . . rr_1a93 1
. 1 . 447 . 1 1 28 HIS HB2 H 51.671 37.433 6.485 . . . 1.0 . . . . . . . . . . . . A . 29 HIS HB2 . . . . . . . . . rr_1a93 1
. 1 . 448 . 1 1 28 HIS HB3 H 52.950 38.369 7.259 . . . 1.0 . . . . . . . . . . . . A . 29 HIS HB3 . . . . . . . . . rr_1a93 1
. 1 . 449 . 1 1 28 HIS HD1 H 53.279 36.880 9.895 . . . 1.0 . . . . . . . . . . . . A . 29 HIS HD1 . . . . . . . . . rr_1a93 1
. 1 . 450 . 1 1 28 HIS HD2 H 52.833 34.925 6.241 . . . 1.0 . . . . . . . . . . . . A . 29 HIS HD2 . . . . . . . . . rr_1a93 1
. 1 . 451 . 1 1 28 HIS HE1 H 54.260 34.565 10.197 . . . 1.0 . . . . . . . . . . . . A . 29 HIS HE1 . . . . . . . . . rr_1a93 1
. 1 . 452 . 1 1 28 HIS N N 49.900 37.456 8.292 . . . 1.0 . . . . . . . . . . . . A . 29 HIS N . . . . . . . . . rr_1a93 1
. 1 . 453 . 1 1 28 HIS ND1 N 53.307 36.202 9.188 . . . 1.0 . . . . . . . . . . . . A . 29 HIS ND1 . . . . . . . . . rr_1a93 1
. 1 . 454 . 1 1 28 HIS NE2 N 53.703 34.278 8.154 . . . 1.0 . . . . . . . . . . . . A . 29 HIS NE2 . . . . . . . . . rr_1a93 1
. 1 . 455 . 1 1 28 HIS O O 51.499 40.387 9.184 . . . 1.0 . . . . . . . . . . . . A . 29 HIS O . . . . . . . . . rr_1a93 1
. 1 . 456 . 1 1 29 LYS C C 49.352 42.091 8.132 . . . 1.0 . . . . . . . . . . . . A . 30 LYS C . . . . . . . . . rr_1a93 1
. 1 . 457 . 1 1 29 LYS CA C 50.188 41.480 7.012 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CA . . . . . . . . . rr_1a93 1
. 1 . 458 . 1 1 29 LYS CB C 49.474 41.703 5.677 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CB . . . . . . . . . rr_1a93 1
. 1 . 459 . 1 1 29 LYS CD C 49.770 41.604 3.196 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CD . . . . . . . . . rr_1a93 1
. 1 . 460 . 1 1 29 LYS CE C 50.562 42.382 2.144 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CE . . . . . . . . . rr_1a93 1
. 1 . 461 . 1 1 29 LYS CG C 50.498 41.676 4.540 . . . 1.0 . . . . . . . . . . . . A . 30 LYS CG . . . . . . . . . rr_1a93 1
. 1 . 462 . 1 1 29 LYS H H 50.052 39.402 6.604 . . . 1.0 . . . . . . . . . . . . A . 30 LYS H . . . . . . . . . rr_1a93 1
. 1 . 463 . 1 1 29 LYS HA H 51.148 41.974 6.981 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HA . . . . . . . . . rr_1a93 1
. 1 . 464 . 1 1 29 LYS HB2 H 48.744 40.922 5.524 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HB2 . . . . . . . . . rr_1a93 1
. 1 . 465 . 1 1 29 LYS HB3 H 48.979 42.662 5.689 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HB3 . . . . . . . . . rr_1a93 1
. 1 . 466 . 1 1 29 LYS HD2 H 49.680 40.572 2.891 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HD2 . . . . . . . . . rr_1a93 1
. 1 . 467 . 1 1 29 LYS HD3 H 48.786 42.037 3.296 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HD3 . . . . . . . . . rr_1a93 1
. 1 . 468 . 1 1 29 LYS HE2 H 50.890 43.322 2.562 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HE2 . . . . . . . . . rr_1a93 1
. 1 . 469 . 1 1 29 LYS HE3 H 51.423 41.803 1.841 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HE3 . . . . . . . . . rr_1a93 1
. 1 . 470 . 1 1 29 LYS HG2 H 51.100 42.573 4.577 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HG2 . . . . . . . . . rr_1a93 1
. 1 . 471 . 1 1 29 LYS HG3 H 51.134 40.811 4.649 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HG3 . . . . . . . . . rr_1a93 1
. 1 . 472 . 1 1 29 LYS HZ1 H 48.784 43.027 1.274 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HZ1 . . . . . . . . . rr_1a93 1
. 1 . 473 . 1 1 29 LYS HZ2 H 50.162 43.324 0.331 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HZ2 . . . . . . . . . rr_1a93 1
. 1 . 474 . 1 1 29 LYS HZ3 H 49.537 41.748 0.446 . . . 1.0 . . . . . . . . . . . . A . 30 LYS HZ3 . . . . . . . . . rr_1a93 1
. 1 . 475 . 1 1 29 LYS N N 50.395 40.054 7.250 . . . 1.0 . . . . . . . . . . . . A . 30 LYS N . . . . . . . . . rr_1a93 1
. 1 . 476 . 1 1 29 LYS NZ N 49.696 42.640 0.959 . . . 1.0 . . . . . . . . . . . . A . 30 LYS NZ . . . . . . . . . rr_1a93 1
. 1 . 477 . 1 1 29 LYS O O 49.549 43.244 8.516 . . . 1.0 . . . . . . . . . . . . A . 30 LYS O . . . . . . . . . rr_1a93 1
. 1 . 478 . 1 1 30 LEU C C 48.322 41.816 11.046 . . . 1.0 . . . . . . . . . . . . A . 31 LEU C . . . . . . . . . rr_1a93 1
. 1 . 479 . 1 1 30 LEU CA C 47.551 41.772 9.731 . . . 1.0 . . . . . . . . . . . . A . 31 LEU CA . . . . . . . . . rr_1a93 1
. 1 . 480 . 1 1 30 LEU CB C 46.341 40.846 9.888 . . . 1.0 . . . . . . . . . . . . A . 31 LEU CB . . . . . . . . . rr_1a93 1
. 1 . 481 . 1 1 30 LEU CD1 C 43.866 40.777 10.224 . . . 1.0 . . . . . . . . . . . . A . 31 LEU CD1 . . . . . . . . . rr_1a93 1
. 1 . 482 . 1 1 30 LEU CD2 C 45.282 42.237 11.673 . . . 1.0 . . . . . . . . . . . . A . 31 LEU CD2 . . . . . . . . . rr_1a93 1
. 1 . 483 . 1 1 30 LEU CG C 45.107 41.670 10.263 . . . 1.0 . . . . . . . . . . . . A . 31 LEU CG . . . . . . . . . rr_1a93 1
. 1 . 484 . 1 1 30 LEU H H 48.304 40.393 8.306 . . . 1.0 . . . . . . . . . . . . A . 31 LEU H . . . . . . . . . rr_1a93 1
. 1 . 485 . 1 1 30 LEU HA H 47.203 42.767 9.494 . . . 1.0 . . . . . . . . . . . . A . 31 LEU HA . . . . . . . . . rr_1a93 1
. 1 . 486 . 1 1 30 LEU HB2 H 46.160 40.330 8.956 . . . 1.0 . . . . . . . . . . . . A . 31 LEU HB2 . . . . . . . . . rr_1a93 1
. 1 . 487 . 1 1 30 LEU HB3 H 46.538 40.123 10.666 . . . 1.0 . . . . . . . . . . . . A . 31 LEU HB3 . . . . . . . . . rr_1a93 1
. 1 . 488 . 1 1 30 LEU HD11 H 44.025 39.970 9.524 . . . 1.0 . . . . . . . . . . . . A . 31 LEU HD11 . . . . . . . . . rr_1a93 1
. 1 . 489 . 1 1 30 LEU HD12 H 43.684 40.370 11.207 . . . 1.0 . . . . . . . . . . . . A . 31 LEU HD12 . . . . . . . . . rr_1a93 1
. 1 . 490 . 1 1 30 LEU HD13 H 43.012 41.361 9.912 . . . 1.0 . . . . . . . . . . . . A . 31 LEU HD13 . . . . . . . . . rr_1a93 1
. 1 . 491 . 1 1 30 LEU HD21 H 45.701 41.477 12.317 . . . 1.0 . . . . . . . . . . . . A . 31 LEU HD21 . . . . . . . . . rr_1a93 1
. 1 . 492 . 1 1 30 LEU HD22 H 45.947 43.087 11.640 . . . 1.0 . . . . . . . . . . . . A . 31 LEU HD22 . . . . . . . . . rr_1a93 1
. 1 . 493 . 1 1 30 LEU HD23 H 44.322 42.546 12.059 . . . 1.0 . . . . . . . . . . . . A . 31 LEU HD23 . . . . . . . . . rr_1a93 1
. 1 . 494 . 1 1 30 LEU HG H 44.989 42.481 9.558 . . . 1.0 . . . . . . . . . . . . A . 31 LEU HG . . . . . . . . . rr_1a93 1
. 1 . 495 . 1 1 30 LEU N N 48.415 41.303 8.651 . . . 1.0 . . . . . . . . . . . . A . 31 LEU N . . . . . . . . . rr_1a93 1
. 1 . 496 . 1 1 30 LEU O O 48.157 42.733 11.850 . . . 1.0 . . . . . . . . . . . . A . 31 LEU O . . . . . . . . . rr_1a93 1
. 1 . 497 . 1 1 31 GLU C C 51.082 41.777 12.445 . . . 1.0 . . . . . . . . . . . . A . 32 GLU C . . . . . . . . . rr_1a93 1
. 1 . 498 . 1 1 31 GLU CA C 49.966 40.738 12.475 . . . 1.0 . . . . . . . . . . . . A . 32 GLU CA . . . . . . . . . rr_1a93 1
. 1 . 499 . 1 1 31 GLU CB C 50.584 39.347 12.628 . . . 1.0 . . . . . . . . . . . . A . 32 GLU CB . . . . . . . . . rr_1a93 1
. 1 . 500 . 1 1 31 GLU CD C 52.041 38.090 14.215 . . . 1.0 . . . . . . . . . . . . A . 32 GLU CD . . . . . . . . . rr_1a93 1
. 1 . 501 . 1 1 31 GLU CG C 50.888 39.082 14.104 . . . 1.0 . . . . . . . . . . . . A . 32 GLU CG . . . . . . . . . rr_1a93 1
. 1 . 502 . 1 1 31 GLU H H 49.257 40.108 10.577 . . . 1.0 . . . . . . . . . . . . A . 32 GLU H . . . . . . . . . rr_1a93 1
. 1 . 503 . 1 1 31 GLU HA H 49.327 40.932 13.324 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HA . . . . . . . . . rr_1a93 1
. 1 . 504 . 1 1 31 GLU HB2 H 49.891 38.603 12.263 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HB2 . . . . . . . . . rr_1a93 1
. 1 . 505 . 1 1 31 GLU HB3 H 51.500 39.296 12.059 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HB3 . . . . . . . . . rr_1a93 1
. 1 . 506 . 1 1 31 GLU HG2 H 51.161 40.009 14.587 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HG2 . . . . . . . . . rr_1a93 1
. 1 . 507 . 1 1 31 GLU HG3 H 50.013 38.669 14.583 . . . 1.0 . . . . . . . . . . . . A . 32 GLU HG3 . . . . . . . . . rr_1a93 1
. 1 . 508 . 1 1 31 GLU N N 49.168 40.811 11.254 . . . 1.0 . . . . . . . . . . . . A . 32 GLU N . . . . . . . . . rr_1a93 1
. 1 . 509 . 1 1 31 GLU O O 51.295 42.509 13.412 . . . 1.0 . . . . . . . . . . . . A . 32 GLU O . . . . . . . . . rr_1a93 1
. 1 . 510 . 1 1 31 GLU OE1 O 52.105 37.191 13.393 . . . 1.0 . . . . . . . . . . . . A . 32 GLU OE1 . . . . . . . . . rr_1a93 1
. 1 . 511 . 1 1 31 GLU OE2 O 52.844 38.245 15.121 . . . 1.0 . . . . . . . . . . . . A . 32 GLU OE2 . . . . . . . . . rr_1a93 1
. 1 . 512 . 1 1 32 GLN C C 52.368 44.218 11.275 . . . 1.0 . . . . . . . . . . . . A . 33 GLN C . . . . . . . . . rr_1a93 1
. 1 . 513 . 1 1 32 GLN CA C 52.888 42.787 11.171 . . . 1.0 . . . . . . . . . . . . A . 33 GLN CA . . . . . . . . . rr_1a93 1
. 1 . 514 . 1 1 32 GLN CB C 53.576 42.604 9.816 . . . 1.0 . . . . . . . . . . . . A . 33 GLN CB . . . . . . . . . rr_1a93 1
. 1 . 515 . 1 1 32 GLN CD C 55.773 42.902 8.672 . . . 1.0 . . . . . . . . . . . . A . 33 GLN CD . . . . . . . . . rr_1a93 1
. 1 . 516 . 1 1 32 GLN CG C 54.871 43.419 9.787 . . . 1.0 . . . . . . . . . . . . A . 33 GLN CG . . . . . . . . . rr_1a93 1
. 1 . 517 . 1 1 32 GLN H H 51.577 41.225 10.584 . . . 1.0 . . . . . . . . . . . . A . 33 GLN H . . . . . . . . . rr_1a93 1
. 1 . 518 . 1 1 32 GLN HA H 53.611 42.618 11.955 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HA . . . . . . . . . rr_1a93 1
. 1 . 519 . 1 1 32 GLN HB2 H 53.804 41.559 9.667 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HB2 . . . . . . . . . rr_1a93 1
. 1 . 520 . 1 1 32 GLN HB3 H 52.920 42.946 9.030 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HB3 . . . . . . . . . rr_1a93 1
. 1 . 521 . 1 1 32 GLN HE21 H 57.323 42.597 9.875 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HE21 . . . . . . . . . rr_1a93 1
. 1 . 522 . 1 1 32 GLN HE22 H 57.582 42.203 8.245 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HE22 . . . . . . . . . rr_1a93 1
. 1 . 523 . 1 1 32 GLN HG2 H 54.637 44.459 9.609 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HG2 . . . . . . . . . rr_1a93 1
. 1 . 524 . 1 1 32 GLN HG3 H 55.380 43.322 10.734 . . . 1.0 . . . . . . . . . . . . A . 33 GLN HG3 . . . . . . . . . rr_1a93 1
. 1 . 525 . 1 1 32 GLN N N 51.792 41.833 11.322 . . . 1.0 . . . . . . . . . . . . A . 33 GLN N . . . . . . . . . rr_1a93 1
. 1 . 526 . 1 1 32 GLN NE2 N 56.994 42.537 8.954 . . . 1.0 . . . . . . . . . . . . A . 33 GLN NE2 . . . . . . . . . rr_1a93 1
. 1 . 527 . 1 1 32 GLN O O 53.039 45.100 11.811 . . . 1.0 . . . . . . . . . . . . A . 33 GLN O . . . . . . . . . rr_1a93 1
. 1 . 528 . 1 1 32 GLN OE1 O 55.361 42.826 7.515 . . . 1.0 . . . . . . . . . . . . A . 33 GLN OE1 . . . . . . . . . rr_1a93 1
. 1 . 529 . 1 1 33 LEU C C 49.104 45.675 11.247 . . . 1.0 . . . . . . . . . . . . A . 34 LEU C . . . . . . . . . rr_1a93 1
. 1 . 530 . 1 1 33 LEU CA C 50.558 45.765 10.794 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CA . . . . . . . . . rr_1a93 1
. 1 . 531 . 1 1 33 LEU CB C 50.610 46.419 9.412 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CB . . . . . . . . . rr_1a93 1
. 1 . 532 . 1 1 33 LEU CD1 C 52.351 46.937 7.697 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CD1 . . . . . . . . . rr_1a93 1
. 1 . 533 . 1 1 33 LEU CD2 C 52.002 48.481 9.629 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CD2 . . . . . . . . . rr_1a93 1
. 1 . 534 . 1 1 33 LEU CG C 51.999 47.017 9.183 . . . 1.0 . . . . . . . . . . . . A . 34 LEU CG . . . . . . . . . rr_1a93 1
. 1 . 535 . 1 1 33 LEU H H 50.674 43.695 10.342 . . . 1.0 . . . . . . . . . . . . A . 34 LEU H . . . . . . . . . rr_1a93 1
. 1 . 536 . 1 1 33 LEU HA H 51.105 46.380 11.493 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HA . . . . . . . . . rr_1a93 1
. 1 . 537 . 1 1 33 LEU HB2 H 50.408 45.675 8.655 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HB2 . . . . . . . . . rr_1a93 1
. 1 . 538 . 1 1 33 LEU HB3 H 49.869 47.202 9.356 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HB3 . . . . . . . . . rr_1a93 1
. 1 . 539 . 1 1 33 LEU HD11 H 52.145 45.942 7.332 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD11 . . . . . . . . . rr_1a93 1
. 1 . 540 . 1 1 33 LEU HD12 H 51.758 47.653 7.147 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD12 . . . . . . . . . rr_1a93 1
. 1 . 541 . 1 1 33 LEU HD13 H 53.399 47.160 7.563 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD13 . . . . . . . . . rr_1a93 1
. 1 . 542 . 1 1 33 LEU HD21 H 51.175 49.000 9.166 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD21 . . . . . . . . . rr_1a93 1
. 1 . 543 . 1 1 33 LEU HD22 H 51.902 48.531 10.703 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD22 . . . . . . . . . rr_1a93 1
. 1 . 544 . 1 1 33 LEU HD23 H 52.930 48.946 9.332 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HD23 . . . . . . . . . rr_1a93 1
. 1 . 545 . 1 1 33 LEU HG H 52.728 46.463 9.756 . . . 1.0 . . . . . . . . . . . . A . 34 LEU HG . . . . . . . . . rr_1a93 1
. 1 . 546 . 1 1 33 LEU N N 51.163 44.437 10.756 . . . 1.0 . . . . . . . . . . . . A . 34 LEU N . . . . . . . . . rr_1a93 1
. 1 . 547 . 1 1 33 LEU O O 48.293 44.983 10.632 . . . 1.0 . . . . . . . . . . . . A . 34 LEU O . . . . . . . . . rr_1a93 1
. 1 . 548 . 1 1 34 NH2 HN1 H 49.366 46.893 12.792 . . . 1.0 . . . . . . . . . . . . A . 35 NH2 HN1 . . . . . . . . . rr_1a93 1
. 1 . 549 . 1 1 34 NH2 HN2 H 47.790 46.292 12.601 . . . 1.0 . . . . . . . . . . . . A . 35 NH2 HN2 . . . . . . . . . rr_1a93 1
. 1 . 550 . 1 1 34 NH2 N N 48.722 46.342 12.301 . . . 1.0 . . . . . . . . . . . . A . 35 NH2 N . . . . . . . . . rr_1a93 1
. 1 . 551 . 2 2 1 ACE C C 41.030 -0.012 0.402 . . . 1.0 . . . . . . . . . . . . B . 2 ACE C . . . . . . . . . rr_1a93 1
. 1 . 552 . 2 2 1 ACE CH3 C 40.034 -1.141 0.162 . . . 1.0 . . . . . . . . . . . . B . 2 ACE CH3 . . . . . . . . . rr_1a93 1
. 1 . 553 . 2 2 1 ACE H1 H 39.264 -1.109 0.919 . . . 1.0 . . . . . . . . . . . . B . 2 ACE H1 . . . . . . . . . rr_1a93 1
. 1 . 554 . 2 2 1 ACE H2 H 40.546 -2.090 0.210 . . . 1.0 . . . . . . . . . . . . B . 2 ACE H2 . . . . . . . . . rr_1a93 1
. 1 . 555 . 2 2 1 ACE H3 H 39.584 -1.023 -0.813 . . . 1.0 . . . . . . . . . . . . B . 2 ACE H3 . . . . . . . . . rr_1a93 1
. 1 . 556 . 2 2 1 ACE O O 42.227 -0.246 0.572 . . . 1.0 . . . . . . . . . . . . B . 2 ACE O . . . . . . . . . rr_1a93 1
. 1 . 557 . 2 2 2 CYS C C 41.485 2.687 2.125 . . . 1.0 . . . . . . . . . . . . B . 3 CYS C . . . . . . . . . rr_1a93 1
. 1 . 558 . 2 2 2 CYS CA C 41.376 2.382 0.634 . . . 1.0 . . . . . . . . . . . . B . 3 CYS CA . . . . . . . . . rr_1a93 1
. 1 . 559 . 2 2 2 CYS CB C 40.808 3.606 -0.085 . . . 1.0 . . . . . . . . . . . . B . 3 CYS CB . . . . . . . . . rr_1a93 1
. 1 . 560 . 2 2 2 CYS H H 39.561 1.343 0.273 . . . 1.0 . . . . . . . . . . . . B . 3 CYS H . . . . . . . . . rr_1a93 1
. 1 . 561 . 2 2 2 CYS HA H 42.361 2.174 0.245 . . . 1.0 . . . . . . . . . . . . B . 3 CYS HA . . . . . . . . . rr_1a93 1
. 1 . 562 . 2 2 2 CYS HB2 H 39.734 3.622 0.025 . . . 1.0 . . . . . . . . . . . . B . 3 CYS HB2 . . . . . . . . . rr_1a93 1
. 1 . 563 . 2 2 2 CYS HB3 H 41.227 4.503 0.347 . . . 1.0 . . . . . . . . . . . . B . 3 CYS HB3 . . . . . . . . . rr_1a93 1
. 1 . 564 . 2 2 2 CYS N N 40.522 1.217 0.414 . . . 1.0 . . . . . . . . . . . . B . 3 CYS N . . . . . . . . . rr_1a93 1
. 1 . 565 . 2 2 2 CYS O O 42.582 2.832 2.665 . . . 1.0 . . . . . . . . . . . . B . 3 CYS O . . . . . . . . . rr_1a93 1
. 1 . 566 . 2 2 2 CYS SG S 41.234 3.526 -1.842 . . . 1.0 . . . . . . . . . . . . B . 3 CYS SG . . . . . . . . . rr_1a93 1
. 1 . 567 . 2 2 3 GLY C C 39.382 4.246 4.514 . . . 1.0 . . . . . . . . . . . . B . 4 GLY C . . . . . . . . . rr_1a93 1
. 1 . 568 . 2 2 3 GLY CA C 40.308 3.072 4.214 . . . 1.0 . . . . . . . . . . . . B . 4 GLY CA . . . . . . . . . rr_1a93 1
. 1 . 569 . 2 2 3 GLY H H 39.490 2.658 2.301 . . . 1.0 . . . . . . . . . . . . B . 4 GLY H . . . . . . . . . rr_1a93 1
. 1 . 570 . 2 2 3 GLY HA2 H 39.961 2.199 4.746 . . . 1.0 . . . . . . . . . . . . B . 4 GLY HA2 . . . . . . . . . rr_1a93 1
. 1 . 571 . 2 2 3 GLY HA3 H 41.306 3.318 4.545 . . . 1.0 . . . . . . . . . . . . B . 4 GLY HA3 . . . . . . . . . rr_1a93 1
. 1 . 572 . 2 2 3 GLY N N 40.334 2.783 2.783 . . . 1.0 . . . . . . . . . . . . B . 4 GLY N . . . . . . . . . rr_1a93 1
. 1 . 573 . 2 2 3 GLY O O 38.180 4.071 4.719 . . . 1.0 . . . . . . . . . . . . B . 4 GLY O . . . . . . . . . rr_1a93 1
. 1 . 574 . 2 2 4 GLY C C 39.002 7.486 3.552 . . . 1.0 . . . . . . . . . . . . B . 5 GLY C . . . . . . . . . rr_1a93 1
. 1 . 575 . 2 2 4 GLY CA C 39.173 6.648 4.814 . . . 1.0 . . . . . . . . . . . . B . 5 GLY CA . . . . . . . . . rr_1a93 1
. 1 . 576 . 2 2 4 GLY H H 40.917 5.525 4.367 . . . 1.0 . . . . . . . . . . . . B . 5 GLY H . . . . . . . . . rr_1a93 1
. 1 . 577 . 2 2 4 GLY HA2 H 38.200 6.361 5.186 . . . 1.0 . . . . . . . . . . . . B . 5 GLY HA2 . . . . . . . . . rr_1a93 1
. 1 . 578 . 2 2 4 GLY HA3 H 39.680 7.238 5.563 . . . 1.0 . . . . . . . . . . . . B . 5 GLY HA3 . . . . . . . . . rr_1a93 1
. 1 . 579 . 2 2 4 GLY N N 39.955 5.446 4.537 . . . 1.0 . . . . . . . . . . . . B . 5 GLY N . . . . . . . . . rr_1a93 1
. 1 . 580 . 2 2 4 GLY O O 39.655 8.515 3.379 . . . 1.0 . . . . . . . . . . . . B . 5 GLY O . . . . . . . . . rr_1a93 1
. 1 . 581 . 2 2 5 MET C C 36.996 8.976 1.674 . . . 1.0 . . . . . . . . . . . . B . 6 MET C . . . . . . . . . rr_1a93 1
. 1 . 582 . 2 2 5 MET CA C 37.863 7.746 1.421 . . . 1.0 . . . . . . . . . . . . B . 6 MET CA . . . . . . . . . rr_1a93 1
. 1 . 583 . 2 2 5 MET CB C 37.152 6.834 0.419 . . . 1.0 . . . . . . . . . . . . B . 6 MET CB . . . . . . . . . rr_1a93 1
. 1 . 584 . 2 2 5 MET CE C 36.087 4.930 -1.637 . . . 1.0 . . . . . . . . . . . . B . 6 MET CE . . . . . . . . . rr_1a93 1
. 1 . 585 . 2 2 5 MET CG C 37.985 5.570 0.198 . . . 1.0 . . . . . . . . . . . . B . 6 MET CG . . . . . . . . . rr_1a93 1
. 1 . 586 . 2 2 5 MET H H 37.625 6.206 2.862 . . . 1.0 . . . . . . . . . . . . B . 6 MET H . . . . . . . . . rr_1a93 1
. 1 . 587 . 2 2 5 MET HA H 38.805 8.061 1.000 . . . 1.0 . . . . . . . . . . . . B . 6 MET HA . . . . . . . . . rr_1a93 1
. 1 . 588 . 2 2 5 MET HB2 H 36.180 6.564 0.806 . . . 1.0 . . . . . . . . . . . . B . 6 MET HB2 . . . . . . . . . rr_1a93 1
. 1 . 589 . 2 2 5 MET HB3 H 37.035 7.354 -0.520 . . . 1.0 . . . . . . . . . . . . B . 6 MET HB3 . . . . . . . . . rr_1a93 1
. 1 . 590 . 2 2 5 MET HE1 H 36.837 5.386 -2.270 . . . 1.0 . . . . . . . . . . . . B . 6 MET HE1 . . . . . . . . . rr_1a93 1
. 1 . 591 . 2 2 5 MET HE2 H 35.565 4.169 -2.194 . . . 1.0 . . . . . . . . . . . . B . 6 MET HE2 . . . . . . . . . rr_1a93 1
. 1 . 592 . 2 2 5 MET HE3 H 35.382 5.680 -1.307 . . . 1.0 . . . . . . . . . . . . B . 6 MET HE3 . . . . . . . . . rr_1a93 1
. 1 . 593 . 2 2 5 MET HG2 H 38.672 5.729 -0.619 . . . 1.0 . . . . . . . . . . . . B . 6 MET HG2 . . . . . . . . . rr_1a93 1
. 1 . 594 . 2 2 5 MET HG3 H 38.541 5.344 1.096 . . . 1.0 . . . . . . . . . . . . B . 6 MET HG3 . . . . . . . . . rr_1a93 1
. 1 . 595 . 2 2 5 MET N N 38.116 7.032 2.670 . . . 1.0 . . . . . . . . . . . . B . 6 MET N . . . . . . . . . rr_1a93 1
. 1 . 596 . 2 2 5 MET O O 37.428 10.110 1.472 . . . 1.0 . . . . . . . . . . . . B . 6 MET O . . . . . . . . . rr_1a93 1
. 1 . 597 . 2 2 5 MET SD S 36.889 4.184 -0.197 . . . 1.0 . . . . . . . . . . . . B . 6 MET SD . . . . . . . . . rr_1a93 1
. 1 . 598 . 2 2 6 ARG C C 35.269 10.597 3.640 . . . 1.0 . . . . . . . . . . . . B . 7 ARG C . . . . . . . . . rr_1a93 1
. 1 . 599 . 2 2 6 ARG CA C 34.838 9.830 2.393 . . . 1.0 . . . . . . . . . . . . B . 7 ARG CA . . . . . . . . . rr_1a93 1
. 1 . 600 . 2 2 6 ARG CB C 33.422 9.292 2.602 . . . 1.0 . . . . . . . . . . . . B . 7 ARG CB . . . . . . . . . rr_1a93 1
. 1 . 601 . 2 2 6 ARG CD C 31.247 8.858 1.449 . . . 1.0 . . . . . . . . . . . . B . 7 ARG CD . . . . . . . . . rr_1a93 1
. 1 . 602 . 2 2 6 ARG CG C 32.743 9.101 1.244 . . . 1.0 . . . . . . . . . . . . B . 7 ARG CG . . . . . . . . . rr_1a93 1
. 1 . 603 . 2 2 6 ARG CZ C 29.266 10.156 2.098 . . . 1.0 . . . . . . . . . . . . B . 7 ARG CZ . . . . . . . . . rr_1a93 1
. 1 . 604 . 2 2 6 ARG H H 35.474 7.811 2.257 . . . 1.0 . . . . . . . . . . . . B . 7 ARG H . . . . . . . . . rr_1a93 1
. 1 . 605 . 2 2 6 ARG HA H 34.833 10.506 1.551 . . . 1.0 . . . . . . . . . . . . B . 7 ARG HA . . . . . . . . . rr_1a93 1
. 1 . 606 . 2 2 6 ARG HB2 H 33.470 8.344 3.118 . . . 1.0 . . . . . . . . . . . . B . 7 ARG HB2 . . . . . . . . . rr_1a93 1
. 1 . 607 . 2 2 6 ARG HB3 H 32.852 9.995 3.191 . . . 1.0 . . . . . . . . . . . . B . 7 ARG HB3 . . . . . . . . . rr_1a93 1
. 1 . 608 . 2 2 6 ARG HD2 H 30.835 8.407 0.560 . . . 1.0 . . . . . . . . . . . . B . 7 ARG HD2 . . . . . . . . . rr_1a93 1
. 1 . 609 . 2 2 6 ARG HD3 H 31.108 8.187 2.285 . . . 1.0 . . . . . . . . . . . . B . 7 ARG HD3 . . . . . . . . . rr_1a93 1
. 1 . 610 . 2 2 6 ARG HE H 31.040 10.962 1.613 . . . 1.0 . . . . . . . . . . . . B . 7 ARG HE . . . . . . . . . rr_1a93 1
. 1 . 611 . 2 2 6 ARG HG2 H 32.886 9.988 0.643 . . . 1.0 . . . . . . . . . . . . B . 7 ARG HG2 . . . . . . . . . rr_1a93 1
. 1 . 612 . 2 2 6 ARG HG3 H 33.178 8.251 0.741 . . . 1.0 . . . . . . . . . . . . B . 7 ARG HG3 . . . . . . . . . rr_1a93 1
. 1 . 613 . 2 2 6 ARG HH11 H 28.989 8.164 2.082 . . . 1.0 . . . . . . . . . . . . B . 7 ARG HH11 . . . . . . . . . rr_1a93 1
. 1 . 614 . 2 2 6 ARG HH12 H 27.612 9.108 2.536 . . . 1.0 . . . . . . . . . . . . B . 7 ARG HH12 . . . . . . . . . rr_1a93 1
. 1 . 615 . 2 2 6 ARG HH21 H 29.221 12.154 2.209 . . . 1.0 . . . . . . . . . . . . B . 7 ARG HH21 . . . . . . . . . rr_1a93 1
. 1 . 616 . 2 2 6 ARG HH22 H 27.741 11.348 2.608 . . . 1.0 . . . . . . . . . . . . B . 7 ARG HH22 . . . . . . . . . rr_1a93 1
. 1 . 617 . 2 2 6 ARG N N 35.765 8.736 2.116 . . . 1.0 . . . . . . . . . . . . B . 7 ARG N . . . . . . . . . rr_1a93 1
. 1 . 618 . 2 2 6 ARG NE N 30.551 10.119 1.716 . . . 1.0 . . . . . . . . . . . . B . 7 ARG NE . . . . . . . . . rr_1a93 1
. 1 . 619 . 2 2 6 ARG NH1 N 28.569 9.055 2.250 . . . 1.0 . . . . . . . . . . . . B . 7 ARG NH1 . . . . . . . . . rr_1a93 1
. 1 . 620 . 2 2 6 ARG NH2 N 28.698 11.309 2.322 . . . 1.0 . . . . . . . . . . . . B . 7 ARG NH2 . . . . . . . . . rr_1a93 1
. 1 . 621 . 2 2 6 ARG O O 35.045 11.802 3.752 . . . 1.0 . . . . . . . . . . . . B . 7 ARG O . . . . . . . . . rr_1a93 1
. 1 . 622 . 2 2 7 ARG C C 37.370 11.601 5.520 . . . 1.0 . . . . . . . . . . . . B . 8 ARG C . . . . . . . . . rr_1a93 1
. 1 . 623 . 2 2 7 ARG CA C 36.347 10.507 5.817 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CA . . . . . . . . . rr_1a93 1
. 1 . 624 . 2 2 7 ARG CB C 36.988 9.465 6.735 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CB . . . . . . . . . rr_1a93 1
. 1 . 625 . 2 2 7 ARG CD C 36.576 7.966 8.690 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CD . . . . . . . . . rr_1a93 1
. 1 . 626 . 2 2 7 ARG CG C 35.911 8.825 7.614 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CG . . . . . . . . . rr_1a93 1
. 1 . 627 . 2 2 7 ARG CZ C 36.144 7.382 11.036 . . . 1.0 . . . . . . . . . . . . B . 8 ARG CZ . . . . . . . . . rr_1a93 1
. 1 . 628 . 2 2 7 ARG H H 36.039 8.926 4.435 . . . 1.0 . . . . . . . . . . . . B . 8 ARG H . . . . . . . . . rr_1a93 1
. 1 . 629 . 2 2 7 ARG HA H 35.501 10.946 6.324 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HA . . . . . . . . . rr_1a93 1
. 1 . 630 . 2 2 7 ARG HB2 H 37.466 8.703 6.136 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HB2 . . . . . . . . . rr_1a93 1
. 1 . 631 . 2 2 7 ARG HB3 H 37.725 9.944 7.364 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HB3 . . . . . . . . . rr_1a93 1
. 1 . 632 . 2 2 7 ARG HD2 H 36.794 6.991 8.284 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HD2 . . . . . . . . . rr_1a93 1
. 1 . 633 . 2 2 7 ARG HD3 H 37.499 8.436 9.000 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HD3 . . . . . . . . . rr_1a93 1
. 1 . 634 . 2 2 7 ARG HE H 34.744 8.041 9.757 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HE . . . . . . . . . rr_1a93 1
. 1 . 635 . 2 2 7 ARG HG2 H 35.322 9.600 8.082 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HG2 . . . . . . . . . rr_1a93 1
. 1 . 636 . 2 2 7 ARG HG3 H 35.272 8.204 7.004 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HG3 . . . . . . . . . rr_1a93 1
. 1 . 637 . 2 2 7 ARG HH11 H 38.056 7.153 10.459 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HH11 . . . . . . . . . rr_1a93 1
. 1 . 638 . 2 2 7 ARG HH12 H 37.718 6.748 12.106 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HH12 . . . . . . . . . rr_1a93 1
. 1 . 639 . 2 2 7 ARG HH21 H 34.347 7.502 11.911 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HH21 . . . . . . . . . rr_1a93 1
. 1 . 640 . 2 2 7 ARG HH22 H 35.636 6.943 12.923 . . . 1.0 . . . . . . . . . . . . B . 8 ARG HH22 . . . . . . . . . rr_1a93 1
. 1 . 641 . 2 2 7 ARG N N 35.889 9.884 4.577 . . . 1.0 . . . . . . . . . . . . B . 8 ARG N . . . . . . . . . rr_1a93 1
. 1 . 642 . 2 2 7 ARG NE N 35.693 7.817 9.850 . . . 1.0 . . . . . . . . . . . . B . 8 ARG NE . . . . . . . . . rr_1a93 1
. 1 . 643 . 2 2 7 ARG NH1 N 37.405 7.070 11.213 . . . 1.0 . . . . . . . . . . . . B . 8 ARG NH1 . . . . . . . . . rr_1a93 1
. 1 . 644 . 2 2 7 ARG NH2 N 35.311 7.267 12.034 . . . 1.0 . . . . . . . . . . . . B . 8 ARG NH2 . . . . . . . . . rr_1a93 1
. 1 . 645 . 2 2 7 ARG O O 37.197 12.755 5.911 . . . 1.0 . . . . . . . . . . . . B . 8 ARG O . . . . . . . . . rr_1a93 1
. 1 . 646 . 2 2 8 LYS C C 38.927 13.288 3.594 . . . 1.0 . . . . . . . . . . . . B . 9 LYS C . . . . . . . . . rr_1a93 1
. 1 . 647 . 2 2 8 LYS CA C 39.487 12.177 4.477 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CA . . . . . . . . . rr_1a93 1
. 1 . 648 . 2 2 8 LYS CB C 40.625 11.476 3.733 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CB . . . . . . . . . rr_1a93 1
. 1 . 649 . 2 2 8 LYS CD C 42.671 10.067 4.006 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CD . . . . . . . . . rr_1a93 1
. 1 . 650 . 2 2 8 LYS CE C 43.509 9.287 5.021 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CE . . . . . . . . . rr_1a93 1
. 1 . 651 . 2 2 8 LYS CG C 41.615 10.893 4.743 . . . 1.0 . . . . . . . . . . . . B . 9 LYS CG . . . . . . . . . rr_1a93 1
. 1 . 652 . 2 2 8 LYS H H 38.522 10.288 4.539 . . . 1.0 . . . . . . . . . . . . B . 9 LYS H . . . . . . . . . rr_1a93 1
. 1 . 653 . 2 2 8 LYS HA H 39.879 12.613 5.384 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HA . . . . . . . . . rr_1a93 1
. 1 . 654 . 2 2 8 LYS HB2 H 40.220 10.681 3.123 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HB2 . . . . . . . . . rr_1a93 1
. 1 . 655 . 2 2 8 LYS HB3 H 41.136 12.188 3.102 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HB3 . . . . . . . . . rr_1a93 1
. 1 . 656 . 2 2 8 LYS HD2 H 42.182 9.376 3.334 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HD2 . . . . . . . . . rr_1a93 1
. 1 . 657 . 2 2 8 LYS HD3 H 43.314 10.726 3.442 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HD3 . . . . . . . . . rr_1a93 1
. 1 . 658 . 2 2 8 LYS HE2 H 42.887 8.994 5.853 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HE2 . . . . . . . . . rr_1a93 1
. 1 . 659 . 2 2 8 LYS HE3 H 43.917 8.405 4.548 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HE3 . . . . . . . . . rr_1a93 1
. 1 . 660 . 2 2 8 LYS HG2 H 42.096 11.697 5.281 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HG2 . . . . . . . . . rr_1a93 1
. 1 . 661 . 2 2 8 LYS HG3 H 41.087 10.259 5.440 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HG3 . . . . . . . . . rr_1a93 1
. 1 . 662 . 2 2 8 LYS HZ1 H 44.285 11.125 5.616 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HZ1 . . . . . . . . . rr_1a93 1
. 1 . 663 . 2 2 8 LYS HZ2 H 44.953 9.794 6.433 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HZ2 . . . . . . . . . rr_1a93 1
. 1 . 664 . 2 2 8 LYS HZ3 H 45.406 10.124 4.829 . . . 1.0 . . . . . . . . . . . . B . 9 LYS HZ3 . . . . . . . . . rr_1a93 1
. 1 . 665 . 2 2 8 LYS N N 38.438 11.222 4.824 . . . 1.0 . . . . . . . . . . . . B . 9 LYS N . . . . . . . . . rr_1a93 1
. 1 . 666 . 2 2 8 LYS NZ N 44.622 10.148 5.511 . . . 1.0 . . . . . . . . . . . . B . 9 LYS NZ . . . . . . . . . rr_1a93 1
. 1 . 667 . 2 2 8 LYS O O 39.247 14.463 3.772 . . . 1.0 . . . . . . . . . . . . B . 9 LYS O . . . . . . . . . rr_1a93 1
. 1 . 668 . 2 2 9 ASN C C 36.627 14.870 2.503 . . . 1.0 . . . . . . . . . . . . B . 10 ASN C . . . . . . . . . rr_1a93 1
. 1 . 669 . 2 2 9 ASN CA C 37.483 13.872 1.729 . . . 1.0 . . . . . . . . . . . . B . 10 ASN CA . . . . . . . . . rr_1a93 1
. 1 . 670 . 2 2 9 ASN CB C 36.609 13.163 0.693 . . . 1.0 . . . . . . . . . . . . B . 10 ASN CB . . . . . . . . . rr_1a93 1
. 1 . 671 . 2 2 9 ASN CG C 37.476 12.705 -0.475 . . . 1.0 . . . . . . . . . . . . B . 10 ASN CG . . . . . . . . . rr_1a93 1
. 1 . 672 . 2 2 9 ASN H H 37.867 11.951 2.545 . . . 1.0 . . . . . . . . . . . . B . 10 ASN H . . . . . . . . . rr_1a93 1
. 1 . 673 . 2 2 9 ASN HA H 38.268 14.407 1.216 . . . 1.0 . . . . . . . . . . . . B . 10 ASN HA . . . . . . . . . rr_1a93 1
. 1 . 674 . 2 2 9 ASN HB2 H 36.135 12.306 1.148 . . . 1.0 . . . . . . . . . . . . B . 10 ASN HB2 . . . . . . . . . rr_1a93 1
. 1 . 675 . 2 2 9 ASN HB3 H 35.853 13.845 0.332 . . . 1.0 . . . . . . . . . . . . B . 10 ASN HB3 . . . . . . . . . rr_1a93 1
. 1 . 676 . 2 2 9 ASN HD21 H 36.300 11.171 -0.930 . . . 1.0 . . . . . . . . . . . . B . 10 ASN HD21 . . . . . . . . . rr_1a93 1
. 1 . 677 . 2 2 9 ASN HD22 H 37.669 11.355 -1.917 . . . 1.0 . . . . . . . . . . . . B . 10 ASN HD22 . . . . . . . . . rr_1a93 1
. 1 . 678 . 2 2 9 ASN N N 38.086 12.901 2.639 . . . 1.0 . . . . . . . . . . . . B . 10 ASN N . . . . . . . . . rr_1a93 1
. 1 . 679 . 2 2 9 ASN ND2 N 37.118 11.657 -1.165 . . . 1.0 . . . . . . . . . . . . B . 10 ASN ND2 . . . . . . . . . rr_1a93 1
. 1 . 680 . 2 2 9 ASN O O 36.635 16.068 2.220 . . . 1.0 . . . . . . . . . . . . B . 10 ASN O . . . . . . . . . rr_1a93 1
. 1 . 681 . 2 2 9 ASN OD1 O 38.504 13.315 -0.770 . . . 1.0 . . . . . . . . . . . . B . 10 ASN OD1 . . . . . . . . . rr_1a93 1
. 1 . 682 . 2 2 10 ASP C C 35.861 16.236 5.063 . . . 1.0 . . . . . . . . . . . . B . 11 ASP C . . . . . . . . . rr_1a93 1
. 1 . 683 . 2 2 10 ASP CA C 35.026 15.216 4.296 . . . 1.0 . . . . . . . . . . . . B . 11 ASP CA . . . . . . . . . rr_1a93 1
. 1 . 684 . 2 2 10 ASP CB C 34.223 14.378 5.293 . . . 1.0 . . . . . . . . . . . . B . 11 ASP CB . . . . . . . . . rr_1a93 1
. 1 . 685 . 2 2 10 ASP CG C 32.960 15.133 5.692 . . . 1.0 . . . . . . . . . . . . B . 11 ASP CG . . . . . . . . . rr_1a93 1
. 1 . 686 . 2 2 10 ASP H H 35.920 13.399 3.665 . . . 1.0 . . . . . . . . . . . . B . 11 ASP H . . . . . . . . . rr_1a93 1
. 1 . 687 . 2 2 10 ASP HA H 34.339 15.740 3.648 . . . 1.0 . . . . . . . . . . . . B . 11 ASP HA . . . . . . . . . rr_1a93 1
. 1 . 688 . 2 2 10 ASP HB2 H 33.952 13.437 4.836 . . . 1.0 . . . . . . . . . . . . B . 11 ASP HB2 . . . . . . . . . rr_1a93 1
. 1 . 689 . 2 2 10 ASP HB3 H 34.822 14.192 6.172 . . . 1.0 . . . . . . . . . . . . B . 11 ASP HB3 . . . . . . . . . rr_1a93 1
. 1 . 690 . 2 2 10 ASP N N 35.887 14.361 3.484 . . . 1.0 . . . . . . . . . . . . B . 11 ASP N . . . . . . . . . rr_1a93 1
. 1 . 691 . 2 2 10 ASP O O 35.551 17.428 5.080 . . . 1.0 . . . . . . . . . . . . B . 11 ASP O . . . . . . . . . rr_1a93 1
. 1 . 692 . 2 2 10 ASP OD1 O 33.089 16.206 6.259 . . . 1.0 . . . . . . . . . . . . B . 11 ASP OD1 . . . . . . . . . rr_1a93 1
. 1 . 693 . 2 2 10 ASP OD2 O 31.882 14.627 5.426 . . . 1.0 . . . . . . . . . . . . B . 11 ASP OD2 . . . . . . . . . rr_1a93 1
. 1 . 694 . 2 2 11 THR C C 38.465 17.655 5.552 . . . 1.0 . . . . . . . . . . . . B . 12 THR C . . . . . . . . . rr_1a93 1
. 1 . 695 . 2 2 11 THR CA C 37.803 16.631 6.467 . . . 1.0 . . . . . . . . . . . . B . 12 THR CA . . . . . . . . . rr_1a93 1
. 1 . 696 . 2 2 11 THR CB C 38.890 15.816 7.173 . . . 1.0 . . . . . . . . . . . . B . 12 THR CB . . . . . . . . . rr_1a93 1
. 1 . 697 . 2 2 11 THR CG2 C 38.397 15.396 8.558 . . . 1.0 . . . . . . . . . . . . B . 12 THR CG2 . . . . . . . . . rr_1a93 1
. 1 . 698 . 2 2 11 THR H H 37.123 14.795 5.649 . . . 1.0 . . . . . . . . . . . . B . 12 THR H . . . . . . . . . rr_1a93 1
. 1 . 699 . 2 2 11 THR HA H 37.218 17.150 7.211 . . . 1.0 . . . . . . . . . . . . B . 12 THR HA . . . . . . . . . rr_1a93 1
. 1 . 700 . 2 2 11 THR HB H 39.780 16.417 7.279 . . . 1.0 . . . . . . . . . . . . B . 12 THR HB . . . . . . . . . rr_1a93 1
. 1 . 701 . 2 2 11 THR HG1 H 39.913 14.197 6.829 . . . 1.0 . . . . . . . . . . . . B . 12 THR HG1 . . . . . . . . . rr_1a93 1
. 1 . 702 . 2 2 11 THR HG21 H 37.677 16.116 8.918 . . . 1.0 . . . . . . . . . . . . B . 12 THR HG21 . . . . . . . . . rr_1a93 1
. 1 . 703 . 2 2 11 THR HG22 H 37.932 14.423 8.495 . . . 1.0 . . . . . . . . . . . . B . 12 THR HG22 . . . . . . . . . rr_1a93 1
. 1 . 704 . 2 2 11 THR HG23 H 39.234 15.352 9.240 . . . 1.0 . . . . . . . . . . . . B . 12 THR HG23 . . . . . . . . . rr_1a93 1
. 1 . 705 . 2 2 11 THR N N 36.925 15.754 5.698 . . . 1.0 . . . . . . . . . . . . B . 12 THR N . . . . . . . . . rr_1a93 1
. 1 . 706 . 2 2 11 THR O O 38.677 18.806 5.934 . . . 1.0 . . . . . . . . . . . . B . 12 THR O . . . . . . . . . rr_1a93 1
. 1 . 707 . 2 2 11 THR OG1 O 39.188 14.660 6.402 . . . 1.0 . . . . . . . . . . . . B . 12 THR OG1 . . . . . . . . . rr_1a93 1
. 1 . 708 . 2 2 12 HIS C C 38.501 19.268 3.016 . . . 1.0 . . . . . . . . . . . . B . 13 HIS C . . . . . . . . . rr_1a93 1
. 1 . 709 . 2 2 12 HIS CA C 39.427 18.109 3.368 . . . 1.0 . . . . . . . . . . . . B . 13 HIS CA . . . . . . . . . rr_1a93 1
. 1 . 710 . 2 2 12 HIS CB C 39.775 17.345 2.090 . . . 1.0 . . . . . . . . . . . . B . 13 HIS CB . . . . . . . . . rr_1a93 1
. 1 . 711 . 2 2 12 HIS CD2 C 41.353 15.246 2.196 . . . 1.0 . . . . . . . . . . . . B . 13 HIS CD2 . . . . . . . . . rr_1a93 1
. 1 . 712 . 2 2 12 HIS CE1 C 43.189 16.259 2.738 . . . 1.0 . . . . . . . . . . . . B . 13 HIS CE1 . . . . . . . . . rr_1a93 1
. 1 . 713 . 2 2 12 HIS CG C 41.056 16.583 2.291 . . . 1.0 . . . . . . . . . . . . B . 13 HIS CG . . . . . . . . . rr_1a93 1
. 1 . 714 . 2 2 12 HIS H H 38.595 16.295 4.087 . . . 1.0 . . . . . . . . . . . . B . 13 HIS H . . . . . . . . . rr_1a93 1
. 1 . 715 . 2 2 12 HIS HA H 40.333 18.503 3.797 . . . 1.0 . . . . . . . . . . . . B . 13 HIS HA . . . . . . . . . rr_1a93 1
. 1 . 716 . 2 2 12 HIS HB2 H 38.978 16.654 1.855 . . . 1.0 . . . . . . . . . . . . B . 13 HIS HB2 . . . . . . . . . rr_1a93 1
. 1 . 717 . 2 2 12 HIS HB3 H 39.897 18.043 1.275 . . . 1.0 . . . . . . . . . . . . B . 13 HIS HB3 . . . . . . . . . rr_1a93 1
. 1 . 718 . 2 2 12 HIS HD1 H 42.369 18.171 2.785 . . . 1.0 . . . . . . . . . . . . B . 13 HIS HD1 . . . . . . . . . rr_1a93 1
. 1 . 719 . 2 2 12 HIS HD2 H 40.647 14.469 1.940 . . . 1.0 . . . . . . . . . . . . B . 13 HIS HD2 . . . . . . . . . rr_1a93 1
. 1 . 720 . 2 2 12 HIS HE1 H 44.220 16.455 2.996 . . . 1.0 . . . . . . . . . . . . B . 13 HIS HE1 . . . . . . . . . rr_1a93 1
. 1 . 721 . 2 2 12 HIS N N 38.788 17.223 4.337 . . . 1.0 . . . . . . . . . . . . B . 13 HIS N . . . . . . . . . rr_1a93 1
. 1 . 722 . 2 2 12 HIS ND1 N 42.243 17.210 2.638 . . . 1.0 . . . . . . . . . . . . B . 13 HIS ND1 . . . . . . . . . rr_1a93 1
. 1 . 723 . 2 2 12 HIS NE2 N 42.700 15.044 2.479 . . . 1.0 . . . . . . . . . . . . B . 13 HIS NE2 . . . . . . . . . rr_1a93 1
. 1 . 724 . 2 2 12 HIS O O 38.901 20.432 3.033 . . . 1.0 . . . . . . . . . . . . B . 13 HIS O . . . . . . . . . rr_1a93 1
. 1 . 725 . 2 2 13 GLN C C 36.030 20.895 3.507 . . . 1.0 . . . . . . . . . . . . B . 14 GLN C . . . . . . . . . rr_1a93 1
. 1 . 726 . 2 2 13 GLN CA C 36.269 19.946 2.337 . . . 1.0 . . . . . . . . . . . . B . 14 GLN CA . . . . . . . . . rr_1a93 1
. 1 . 727 . 2 2 13 GLN CB C 34.943 19.289 1.949 . . . 1.0 . . . . . . . . . . . . B . 14 GLN CB . . . . . . . . . rr_1a93 1
. 1 . 728 . 2 2 13 GLN CD C 33.543 18.559 0.017 . . . 1.0 . . . . . . . . . . . . B . 14 GLN CD . . . . . . . . . rr_1a93 1
. 1 . 729 . 2 2 13 GLN CG C 34.940 18.993 0.448 . . . 1.0 . . . . . . . . . . . . B . 14 GLN CG . . . . . . . . . rr_1a93 1
. 1 . 730 . 2 2 13 GLN H H 36.999 17.987 2.700 . . . 1.0 . . . . . . . . . . . . B . 14 GLN H . . . . . . . . . rr_1a93 1
. 1 . 731 . 2 2 13 GLN HA H 36.638 20.512 1.495 . . . 1.0 . . . . . . . . . . . . B . 14 GLN HA . . . . . . . . . rr_1a93 1
. 1 . 732 . 2 2 13 GLN HB2 H 34.824 18.367 2.499 . . . 1.0 . . . . . . . . . . . . B . 14 GLN HB2 . . . . . . . . . rr_1a93 1
. 1 . 733 . 2 2 13 GLN HB3 H 34.128 19.957 2.183 . . . 1.0 . . . . . . . . . . . . B . 14 GLN HB3 . . . . . . . . . rr_1a93 1
. 1 . 734 . 2 2 13 GLN HE21 H 33.346 20.019 -1.315 . . . 1.0 . . . . . . . . . . . . B . 14 GLN HE21 . . . . . . . . . rr_1a93 1
. 1 . 735 . 2 2 13 GLN HE22 H 32.020 18.968 -1.189 . . . 1.0 . . . . . . . . . . . . B . 14 GLN HE22 . . . . . . . . . rr_1a93 1
. 1 . 736 . 2 2 13 GLN HG2 H 35.225 19.883 -0.095 . . . 1.0 . . . . . . . . . . . . B . 14 GLN HG2 . . . . . . . . . rr_1a93 1
. 1 . 737 . 2 2 13 GLN HG3 H 35.642 18.201 0.235 . . . 1.0 . . . . . . . . . . . . B . 14 GLN HG3 . . . . . . . . . rr_1a93 1
. 1 . 738 . 2 2 13 GLN N N 37.257 18.931 2.696 . . . 1.0 . . . . . . . . . . . . B . 14 GLN N . . . . . . . . . rr_1a93 1
. 1 . 739 . 2 2 13 GLN NE2 N 32.918 19.239 -0.906 . . . 1.0 . . . . . . . . . . . . B . 14 GLN NE2 . . . . . . . . . rr_1a93 1
. 1 . 740 . 2 2 13 GLN O O 35.926 22.109 3.329 . . . 1.0 . . . . . . . . . . . . B . 14 GLN O . . . . . . . . . rr_1a93 1
. 1 . 741 . 2 2 13 GLN OE1 O 33.004 17.579 0.531 . . . 1.0 . . . . . . . . . . . . B . 14 GLN OE1 . . . . . . . . . rr_1a93 1
. 1 . 742 . 2 2 14 GLN C C 36.869 22.105 6.118 . . . 1.0 . . . . . . . . . . . . B . 15 GLN C . . . . . . . . . rr_1a93 1
. 1 . 743 . 2 2 14 GLN CA C 35.715 21.132 5.904 . . . 1.0 . . . . . . . . . . . . B . 15 GLN CA . . . . . . . . . rr_1a93 1
. 1 . 744 . 2 2 14 GLN CB C 35.584 20.234 7.136 . . . 1.0 . . . . . . . . . . . . B . 15 GLN CB . . . . . . . . . rr_1a93 1
. 1 . 745 . 2 2 14 GLN CD C 33.880 19.797 8.905 . . . 1.0 . . . . . . . . . . . . B . 15 GLN CD . . . . . . . . . rr_1a93 1
. 1 . 746 . 2 2 14 GLN CG C 34.629 20.882 8.141 . . . 1.0 . . . . . . . . . . . . B . 15 GLN CG . . . . . . . . . rr_1a93 1
. 1 . 747 . 2 2 14 GLN H H 36.033 19.355 4.788 . . . 1.0 . . . . . . . . . . . . B . 15 GLN H . . . . . . . . . rr_1a93 1
. 1 . 748 . 2 2 14 GLN HA H 34.800 21.693 5.781 . . . 1.0 . . . . . . . . . . . . B . 15 GLN HA . . . . . . . . . rr_1a93 1
. 1 . 749 . 2 2 14 GLN HB2 H 35.196 19.270 6.839 . . . 1.0 . . . . . . . . . . . . B . 15 GLN HB2 . . . . . . . . . rr_1a93 1
. 1 . 750 . 2 2 14 GLN HB3 H 36.553 20.107 7.594 . . . 1.0 . . . . . . . . . . . . B . 15 GLN HB3 . . . . . . . . . rr_1a93 1
. 1 . 751 . 2 2 14 GLN HE21 H 35.401 19.405 10.120 . . . 1.0 . . . . . . . . . . . . B . 15 GLN HE21 . . . . . . . . . rr_1a93 1
. 1 . 752 . 2 2 14 GLN HE22 H 34.006 18.474 10.381 . . . 1.0 . . . . . . . . . . . . B . 15 GLN HE22 . . . . . . . . . rr_1a93 1
. 1 . 753 . 2 2 14 GLN HG2 H 35.194 21.488 8.834 . . . 1.0 . . . . . . . . . . . . B . 15 GLN HG2 . . . . . . . . . rr_1a93 1
. 1 . 754 . 2 2 14 GLN HG3 H 33.920 21.504 7.614 . . . 1.0 . . . . . . . . . . . . B . 15 GLN HG3 . . . . . . . . . rr_1a93 1
. 1 . 755 . 2 2 14 GLN N N 35.943 20.327 4.707 . . . 1.0 . . . . . . . . . . . . B . 15 GLN N . . . . . . . . . rr_1a93 1
. 1 . 756 . 2 2 14 GLN NE2 N 34.478 19.173 9.883 . . . 1.0 . . . . . . . . . . . . B . 15 GLN NE2 . . . . . . . . . rr_1a93 1
. 1 . 757 . 2 2 14 GLN O O 36.663 23.308 6.277 . . . 1.0 . . . . . . . . . . . . B . 15 GLN O . . . . . . . . . rr_1a93 1
. 1 . 758 . 2 2 14 GLN OE1 O 32.721 19.506 8.608 . . . 1.0 . . . . . . . . . . . . B . 15 GLN OE1 . . . . . . . . . rr_1a93 1
. 1 . 759 . 2 2 15 ASP C C 39.379 23.440 5.193 . . . 1.0 . . . . . . . . . . . . B . 16 ASP C . . . . . . . . . rr_1a93 1
. 1 . 760 . 2 2 15 ASP CA C 39.274 22.404 6.308 . . . 1.0 . . . . . . . . . . . . B . 16 ASP CA . . . . . . . . . rr_1a93 1
. 1 . 761 . 2 2 15 ASP CB C 40.540 21.544 6.309 . . . 1.0 . . . . . . . . . . . . B . 16 ASP CB . . . . . . . . . rr_1a93 1
. 1 . 762 . 2 2 15 ASP CG C 41.584 22.174 7.224 . . . 1.0 . . . . . . . . . . . . B . 16 ASP CG . . . . . . . . . rr_1a93 1
. 1 . 763 . 2 2 15 ASP H H 38.193 20.607 5.982 . . . 1.0 . . . . . . . . . . . . B . 16 ASP H . . . . . . . . . rr_1a93 1
. 1 . 764 . 2 2 15 ASP HA H 39.197 22.914 7.256 . . . 1.0 . . . . . . . . . . . . B . 16 ASP HA . . . . . . . . . rr_1a93 1
. 1 . 765 . 2 2 15 ASP HB2 H 40.300 20.552 6.666 . . . 1.0 . . . . . . . . . . . . B . 16 ASP HB2 . . . . . . . . . rr_1a93 1
. 1 . 766 . 2 2 15 ASP HB3 H 40.933 21.480 5.306 . . . 1.0 . . . . . . . . . . . . B . 16 ASP HB3 . . . . . . . . . rr_1a93 1
. 1 . 767 . 2 2 15 ASP N N 38.088 21.572 6.116 . . . 1.0 . . . . . . . . . . . . B . 16 ASP N . . . . . . . . . rr_1a93 1
. 1 . 768 . 2 2 15 ASP O O 39.723 24.598 5.430 . . . 1.0 . . . . . . . . . . . . B . 16 ASP O . . . . . . . . . rr_1a93 1
. 1 . 769 . 2 2 15 ASP OD1 O 41.325 22.264 8.413 . . . 1.0 . . . . . . . . . . . . B . 16 ASP OD1 . . . . . . . . . rr_1a93 1
. 1 . 770 . 2 2 15 ASP OD2 O 42.627 22.559 6.722 . . . 1.0 . . . . . . . . . . . . B . 16 ASP OD2 . . . . . . . . . rr_1a93 1
. 1 . 771 . 2 2 16 ILE C C 38.124 25.046 2.998 . . . 1.0 . . . . . . . . . . . . B . 17 ILE C . . . . . . . . . rr_1a93 1
. 1 . 772 . 2 2 16 ILE CA C 39.122 23.902 2.820 . . . 1.0 . . . . . . . . . . . . B . 17 ILE CA . . . . . . . . . rr_1a93 1
. 1 . 773 . 2 2 16 ILE CB C 38.800 23.112 1.526 . . . 1.0 . . . . . . . . . . . . B . 17 ILE CB . . . . . . . . . rr_1a93 1
. 1 . 774 . 2 2 16 ILE CD1 C 39.703 21.416 -0.071 . . . 1.0 . . . . . . . . . . . . B . 17 ILE CD1 . . . . . . . . . rr_1a93 1
. 1 . 775 . 2 2 16 ILE CG1 C 40.060 22.379 1.062 . . . 1.0 . . . . . . . . . . . . B . 17 ILE CG1 . . . . . . . . . rr_1a93 1
. 1 . 776 . 2 2 16 ILE CG2 C 38.316 24.044 0.396 . . . 1.0 . . . . . . . . . . . . B . 17 ILE CG2 . . . . . . . . . rr_1a93 1
. 1 . 777 . 2 2 16 ILE H H 38.797 22.076 3.849 . . . 1.0 . . . . . . . . . . . . B . 17 ILE H . . . . . . . . . rr_1a93 1
. 1 . 778 . 2 2 16 ILE HA H 40.117 24.314 2.740 . . . 1.0 . . . . . . . . . . . . B . 17 ILE HA . . . . . . . . . rr_1a93 1
. 1 . 779 . 2 2 16 ILE HB H 38.028 22.387 1.740 . . . 1.0 . . . . . . . . . . . . B . 17 ILE HB . . . . . . . . . rr_1a93 1
. 1 . 780 . 2 2 16 ILE HD11 H 38.769 20.923 0.156 . . . 1.0 . . . . . . . . . . . . B . 17 ILE HD11 . . . . . . . . . rr_1a93 1
. 1 . 781 . 2 2 16 ILE HD12 H 39.603 21.968 -0.994 . . . 1.0 . . . . . . . . . . . . B . 17 ILE HD12 . . . . . . . . . rr_1a93 1
. 1 . 782 . 2 2 16 ILE HD13 H 40.484 20.678 -0.176 . . . 1.0 . . . . . . . . . . . . B . 17 ILE HD13 . . . . . . . . . rr_1a93 1
. 1 . 783 . 2 2 16 ILE HG12 H 40.785 23.099 0.710 . . . 1.0 . . . . . . . . . . . . B . 17 ILE HG12 . . . . . . . . . rr_1a93 1
. 1 . 784 . 2 2 16 ILE HG13 H 40.477 21.821 1.887 . . . 1.0 . . . . . . . . . . . . B . 17 ILE HG13 . . . . . . . . . rr_1a93 1
. 1 . 785 . 2 2 16 ILE HG21 H 38.869 24.972 0.433 . . . 1.0 . . . . . . . . . . . . B . 17 ILE HG21 . . . . . . . . . rr_1a93 1
. 1 . 786 . 2 2 16 ILE HG22 H 38.469 23.568 -0.559 . . . 1.0 . . . . . . . . . . . . B . 17 ILE HG22 . . . . . . . . . rr_1a93 1
. 1 . 787 . 2 2 16 ILE HG23 H 37.262 24.252 0.530 . . . 1.0 . . . . . . . . . . . . B . 17 ILE HG23 . . . . . . . . . rr_1a93 1
. 1 . 788 . 2 2 16 ILE N N 39.070 23.009 3.974 . . . 1.0 . . . . . . . . . . . . B . 17 ILE N . . . . . . . . . rr_1a93 1
. 1 . 789 . 2 2 16 ILE O O 38.500 26.191 3.244 . . . 1.0 . . . . . . . . . . . . B . 17 ILE O . . . . . . . . . rr_1a93 1
. 1 . 790 . 2 2 17 ASP C C 35.941 26.597 4.166 . . . 1.0 . . . . . . . . . . . . B . 18 ASP C . . . . . . . . . rr_1a93 1
. 1 . 791 . 2 2 17 ASP CA C 35.773 25.701 2.933 . . . 1.0 . . . . . . . . . . . . B . 18 ASP CA . . . . . . . . . rr_1a93 1
. 1 . 792 . 2 2 17 ASP CB C 34.413 24.997 3.004 . . . 1.0 . . . . . . . . . . . . B . 18 ASP CB . . . . . . . . . rr_1a93 1
. 1 . 793 . 2 2 17 ASP CG C 33.791 24.936 1.611 . . . 1.0 . . . . . . . . . . . . B . 18 ASP CG . . . . . . . . . rr_1a93 1
. 1 . 794 . 2 2 17 ASP H H 36.618 23.785 2.613 . . . 1.0 . . . . . . . . . . . . B . 18 ASP H . . . . . . . . . rr_1a93 1
. 1 . 795 . 2 2 17 ASP HA H 35.803 26.315 2.044 . . . 1.0 . . . . . . . . . . . . B . 18 ASP HA . . . . . . . . . rr_1a93 1
. 1 . 796 . 2 2 17 ASP HB2 H 34.548 23.994 3.381 . . . 1.0 . . . . . . . . . . . . B . 18 ASP HB2 . . . . . . . . . rr_1a93 1
. 1 . 797 . 2 2 17 ASP HB3 H 33.756 25.542 3.665 . . . 1.0 . . . . . . . . . . . . B . 18 ASP HB3 . . . . . . . . . rr_1a93 1
. 1 . 798 . 2 2 17 ASP N N 36.845 24.713 2.832 . . . 1.0 . . . . . . . . . . . . B . 18 ASP N . . . . . . . . . rr_1a93 1
. 1 . 799 . 2 2 17 ASP O O 35.529 27.757 4.168 . . . 1.0 . . . . . . . . . . . . B . 18 ASP O . . . . . . . . . rr_1a93 1
. 1 . 800 . 2 2 17 ASP OD1 O 34.233 24.117 0.823 . . . 1.0 . . . . . . . . . . . . B . 18 ASP OD1 . . . . . . . . . rr_1a93 1
. 1 . 801 . 2 2 17 ASP OD2 O 32.882 25.709 1.355 . . . 1.0 . . . . . . . . . . . . B . 18 ASP OD2 . . . . . . . . . rr_1a93 1
. 1 . 802 . 2 2 18 ASP C C 37.893 27.817 6.241 . . . 1.0 . . . . . . . . . . . . B . 19 ASP C . . . . . . . . . rr_1a93 1
. 1 . 803 . 2 2 18 ASP CA C 36.773 26.800 6.439 . . . 1.0 . . . . . . . . . . . . B . 19 ASP CA . . . . . . . . . rr_1a93 1
. 1 . 804 . 2 2 18 ASP CB C 37.147 25.862 7.589 . . . 1.0 . . . . . . . . . . . . B . 19 ASP CB . . . . . . . . . rr_1a93 1
. 1 . 805 . 2 2 18 ASP CG C 37.159 26.642 8.900 . . . 1.0 . . . . . . . . . . . . B . 19 ASP CG . . . . . . . . . rr_1a93 1
. 1 . 806 . 2 2 18 ASP H H 36.862 25.115 5.152 . . . 1.0 . . . . . . . . . . . . B . 19 ASP H . . . . . . . . . rr_1a93 1
. 1 . 807 . 2 2 18 ASP HA H 35.864 27.324 6.697 . . . 1.0 . . . . . . . . . . . . B . 19 ASP HA . . . . . . . . . rr_1a93 1
. 1 . 808 . 2 2 18 ASP HB2 H 36.422 25.064 7.652 . . . 1.0 . . . . . . . . . . . . B . 19 ASP HB2 . . . . . . . . . rr_1a93 1
. 1 . 809 . 2 2 18 ASP HB3 H 38.127 25.447 7.411 . . . 1.0 . . . . . . . . . . . . B . 19 ASP HB3 . . . . . . . . . rr_1a93 1
. 1 . 810 . 2 2 18 ASP N N 36.553 26.043 5.210 . . . 1.0 . . . . . . . . . . . . B . 19 ASP N . . . . . . . . . rr_1a93 1
. 1 . 811 . 2 2 18 ASP O O 37.836 28.934 6.754 . . . 1.0 . . . . . . . . . . . . B . 19 ASP O . . . . . . . . . rr_1a93 1
. 1 . 812 . 2 2 18 ASP OD1 O 37.912 27.597 8.991 . . . 1.0 . . . . . . . . . . . . B . 19 ASP OD1 . . . . . . . . . rr_1a93 1
. 1 . 813 . 2 2 18 ASP OD2 O 36.414 26.273 9.793 . . . 1.0 . . . . . . . . . . . . B . 19 ASP OD2 . . . . . . . . . rr_1a93 1
. 1 . 814 . 2 2 19 LEU C C 39.607 29.485 4.374 . . . 1.0 . . . . . . . . . . . . B . 20 LEU C . . . . . . . . . rr_1a93 1
. 1 . 815 . 2 2 19 LEU CA C 40.046 28.294 5.220 . . . 1.0 . . . . . . . . . . . . B . 20 LEU CA . . . . . . . . . rr_1a93 1
. 1 . 816 . 2 2 19 LEU CB C 41.148 27.536 4.475 . . . 1.0 . . . . . . . . . . . . B . 20 LEU CB . . . . . . . . . rr_1a93 1
. 1 . 817 . 2 2 19 LEU CD1 C 42.445 25.408 4.642 . . . 1.0 . . . . . . . . . . . . B . 20 LEU CD1 . . . . . . . . . rr_1a93 1
. 1 . 818 . 2 2 19 LEU CD2 C 42.958 27.308 6.181 . . . 1.0 . . . . . . . . . . . . B . 20 LEU CD2 . . . . . . . . . rr_1a93 1
. 1 . 819 . 2 2 19 LEU CG C 41.844 26.570 5.435 . . . 1.0 . . . . . . . . . . . . B . 20 LEU CG . . . . . . . . . rr_1a93 1
. 1 . 820 . 2 2 19 LEU H H 38.901 26.512 5.104 . . . 1.0 . . . . . . . . . . . . B . 20 LEU H . . . . . . . . . rr_1a93 1
. 1 . 821 . 2 2 19 LEU HA H 40.442 28.654 6.157 . . . 1.0 . . . . . . . . . . . . B . 20 LEU HA . . . . . . . . . rr_1a93 1
. 1 . 822 . 2 2 19 LEU HB2 H 40.712 26.981 3.657 . . . 1.0 . . . . . . . . . . . . B . 20 LEU HB2 . . . . . . . . . rr_1a93 1
. 1 . 823 . 2 2 19 LEU HB3 H 41.870 28.239 4.088 . . . 1.0 . . . . . . . . . . . . B . 20 LEU HB3 . . . . . . . . . rr_1a93 1
. 1 . 824 . 2 2 19 LEU HD11 H 41.737 25.075 3.898 . . . 1.0 . . . . . . . . . . . . B . 20 LEU HD11 . . . . . . . . . rr_1a93 1
. 1 . 825 . 2 2 19 LEU HD12 H 43.352 25.735 4.156 . . . 1.0 . . . . . . . . . . . . B . 20 LEU HD12 . . . . . . . . . rr_1a93 1
. 1 . 826 . 2 2 19 LEU HD13 H 42.671 24.593 5.314 . . . 1.0 . . . . . . . . . . . . B . 20 LEU HD13 . . . . . . . . . rr_1a93 1
. 1 . 827 . 2 2 19 LEU HD21 H 43.559 27.862 5.474 . . . 1.0 . . . . . . . . . . . . B . 20 LEU HD21 . . . . . . . . . rr_1a93 1
. 1 . 828 . 2 2 19 LEU HD22 H 42.522 27.990 6.895 . . . 1.0 . . . . . . . . . . . . B . 20 LEU HD22 . . . . . . . . . rr_1a93 1
. 1 . 829 . 2 2 19 LEU HD23 H 43.579 26.592 6.699 . . . 1.0 . . . . . . . . . . . . B . 20 LEU HD23 . . . . . . . . . rr_1a93 1
. 1 . 830 . 2 2 19 LEU HG H 41.125 26.188 6.144 . . . 1.0 . . . . . . . . . . . . B . 20 LEU HG . . . . . . . . . rr_1a93 1
. 1 . 831 . 2 2 19 LEU N N 38.912 27.414 5.488 . . . 1.0 . . . . . . . . . . . . B . 20 LEU N . . . . . . . . . rr_1a93 1
. 1 . 832 . 2 2 19 LEU O O 39.962 30.630 4.654 . . . 1.0 . . . . . . . . . . . . B . 20 LEU O . . . . . . . . . rr_1a93 1
. 1 . 833 . 2 2 20 LYS C C 37.466 31.236 3.214 . . . 1.0 . . . . . . . . . . . . B . 21 LYS C . . . . . . . . . rr_1a93 1
. 1 . 834 . 2 2 20 LYS CA C 38.342 30.252 2.446 . . . 1.0 . . . . . . . . . . . . B . 21 LYS CA . . . . . . . . . rr_1a93 1
. 1 . 835 . 2 2 20 LYS CB C 37.528 29.651 1.298 . . . 1.0 . . . . . . . . . . . . B . 21 LYS CB . . . . . . . . . rr_1a93 1
. 1 . 836 . 2 2 20 LYS CD C 37.641 29.149 -1.147 . . . 1.0 . . . . . . . . . . . . B . 21 LYS CD . . . . . . . . . rr_1a93 1
. 1 . 837 . 2 2 20 LYS CE C 38.584 29.027 -2.345 . . . 1.0 . . . . . . . . . . . . B . 21 LYS CE . . . . . . . . . rr_1a93 1
. 1 . 838 . 2 2 20 LYS CG C 38.461 29.309 0.135 . . . 1.0 . . . . . . . . . . . . B . 21 LYS CG . . . . . . . . . rr_1a93 1
. 1 . 839 . 2 2 20 LYS H H 38.579 28.268 3.159 . . . 1.0 . . . . . . . . . . . . B . 21 LYS H . . . . . . . . . rr_1a93 1
. 1 . 840 . 2 2 20 LYS HA H 39.188 30.782 2.033 . . . 1.0 . . . . . . . . . . . . B . 21 LYS HA . . . . . . . . . rr_1a93 1
. 1 . 841 . 2 2 20 LYS HB2 H 37.034 28.753 1.640 . . . 1.0 . . . . . . . . . . . . B . 21 LYS HB2 . . . . . . . . . rr_1a93 1
. 1 . 842 . 2 2 20 LYS HB3 H 36.790 30.365 0.967 . . . 1.0 . . . . . . . . . . . . B . 21 LYS HB3 . . . . . . . . . rr_1a93 1
. 1 . 843 . 2 2 20 LYS HD2 H 37.032 28.259 -1.075 . . . 1.0 . . . . . . . . . . . . B . 21 LYS HD2 . . . . . . . . . rr_1a93 1
. 1 . 844 . 2 2 20 LYS HD3 H 37.005 30.011 -1.278 . . . 1.0 . . . . . . . . . . . . B . 21 LYS HD3 . . . . . . . . . rr_1a93 1
. 1 . 845 . 2 2 20 LYS HE2 H 39.366 29.768 -2.265 . . . 1.0 . . . . . . . . . . . . B . 21 LYS HE2 . . . . . . . . . rr_1a93 1
. 1 . 846 . 2 2 20 LYS HE3 H 39.023 28.041 -2.360 . . . 1.0 . . . . . . . . . . . . B . 21 LYS HE3 . . . . . . . . . rr_1a93 1
. 1 . 847 . 2 2 20 LYS HG2 H 39.181 30.104 0.005 . . . 1.0 . . . . . . . . . . . . B . 21 LYS HG2 . . . . . . . . . rr_1a93 1
. 1 . 848 . 2 2 20 LYS HG3 H 38.978 28.385 0.346 . . . 1.0 . . . . . . . . . . . . B . 21 LYS HG3 . . . . . . . . . rr_1a93 1
. 1 . 849 . 2 2 20 LYS HZ1 H 37.186 30.065 -3.487 . . . 1.0 . . . . . . . . . . . . B . 21 LYS HZ1 . . . . . . . . . rr_1a93 1
. 1 . 850 . 2 2 20 LYS HZ2 H 38.481 29.432 -4.385 . . . 1.0 . . . . . . . . . . . . B . 21 LYS HZ2 . . . . . . . . . rr_1a93 1
. 1 . 851 . 2 2 20 LYS HZ3 H 37.252 28.404 -3.820 . . . 1.0 . . . . . . . . . . . . B . 21 LYS HZ3 . . . . . . . . . rr_1a93 1
. 1 . 852 . 2 2 20 LYS N N 38.829 29.199 3.333 . . . 1.0 . . . . . . . . . . . . B . 21 LYS N . . . . . . . . . rr_1a93 1
. 1 . 853 . 2 2 20 LYS NZ N 37.818 29.249 -3.604 . . . 1.0 . . . . . . . . . . . . B . 21 LYS NZ . . . . . . . . . rr_1a93 1
. 1 . 854 . 2 2 20 LYS O O 37.466 32.436 2.937 . . . 1.0 . . . . . . . . . . . . B . 21 LYS O . . . . . . . . . rr_1a93 1
. 1 . 855 . 2 2 21 ARG C C 36.661 32.487 5.875 . . . 1.0 . . . . . . . . . . . . B . 22 ARG C . . . . . . . . . rr_1a93 1
. 1 . 856 . 2 2 21 ARG CA C 35.839 31.559 4.987 . . . 1.0 . . . . . . . . . . . . B . 22 ARG CA . . . . . . . . . rr_1a93 1
. 1 . 857 . 2 2 21 ARG CB C 34.927 30.702 5.869 . . . 1.0 . . . . . . . . . . . . B . 22 ARG CB . . . . . . . . . rr_1a93 1
. 1 . 858 . 2 2 21 ARG CD C 32.455 30.470 6.225 . . . 1.0 . . . . . . . . . . . . B . 22 ARG CD . . . . . . . . . rr_1a93 1
. 1 . 859 . 2 2 21 ARG CG C 33.624 31.458 6.142 . . . 1.0 . . . . . . . . . . . . B . 22 ARG CG . . . . . . . . . rr_1a93 1
. 1 . 860 . 2 2 21 ARG CZ C 31.269 31.197 8.250 . . . 1.0 . . . . . . . . . . . . B . 22 ARG CZ . . . . . . . . . rr_1a93 1
. 1 . 861 . 2 2 21 ARG H H 36.760 29.752 4.359 . . . 1.0 . . . . . . . . . . . . B . 22 ARG H . . . . . . . . . rr_1a93 1
. 1 . 862 . 2 2 21 ARG HA H 35.226 32.155 4.328 . . . 1.0 . . . . . . . . . . . . B . 22 ARG HA . . . . . . . . . rr_1a93 1
. 1 . 863 . 2 2 21 ARG HB2 H 34.705 29.773 5.363 . . . 1.0 . . . . . . . . . . . . B . 22 ARG HB2 . . . . . . . . . rr_1a93 1
. 1 . 864 . 2 2 21 ARG HB3 H 35.423 30.494 6.805 . . . 1.0 . . . . . . . . . . . . B . 22 ARG HB3 . . . . . . . . . rr_1a93 1
. 1 . 865 . 2 2 21 ARG HD2 H 31.627 30.851 5.648 . . . 1.0 . . . . . . . . . . . . B . 22 ARG HD2 . . . . . . . . . rr_1a93 1
. 1 . 866 . 2 2 21 ARG HD3 H 32.761 29.516 5.818 . . . 1.0 . . . . . . . . . . . . B . 22 ARG HD3 . . . . . . . . . rr_1a93 1
. 1 . 867 . 2 2 21 ARG HE H 32.306 29.484 8.097 . . . 1.0 . . . . . . . . . . . . B . 22 ARG HE . . . . . . . . . rr_1a93 1
. 1 . 868 . 2 2 21 ARG HG2 H 33.709 31.993 7.077 . . . 1.0 . . . . . . . . . . . . B . 22 ARG HG2 . . . . . . . . . rr_1a93 1
. 1 . 869 . 2 2 21 ARG HG3 H 33.441 32.161 5.343 . . . 1.0 . . . . . . . . . . . . B . 22 ARG HG3 . . . . . . . . . rr_1a93 1
. 1 . 870 . 2 2 21 ARG HH11 H 31.133 32.474 6.702 . . . 1.0 . . . . . . . . . . . . B . 22 ARG HH11 . . . . . . . . . rr_1a93 1
. 1 . 871 . 2 2 21 ARG HH12 H 30.307 32.954 8.144 . . . 1.0 . . . . . . . . . . . . B . 22 ARG HH12 . . . . . . . . . rr_1a93 1
. 1 . 872 . 2 2 21 ARG HH21 H 31.216 30.150 9.956 . . . 1.0 . . . . . . . . . . . . B . 22 ARG HH21 . . . . . . . . . rr_1a93 1
. 1 . 873 . 2 2 21 ARG HH22 H 30.353 31.652 9.971 . . . 1.0 . . . . . . . . . . . . B . 22 ARG HH22 . . . . . . . . . rr_1a93 1
. 1 . 874 . 2 2 21 ARG N N 36.719 30.715 4.183 . . . 1.0 . . . . . . . . . . . . B . 22 ARG N . . . . . . . . . rr_1a93 1
. 1 . 875 . 2 2 21 ARG NE N 32.028 30.292 7.615 . . . 1.0 . . . . . . . . . . . . B . 22 ARG NE . . . . . . . . . rr_1a93 1
. 1 . 876 . 2 2 21 ARG NH1 N 30.873 32.294 7.650 . . . 1.0 . . . . . . . . . . . . B . 22 ARG NH1 . . . . . . . . . rr_1a93 1
. 1 . 877 . 2 2 21 ARG NH2 N 30.919 30.983 9.489 . . . 1.0 . . . . . . . . . . . . B . 22 ARG NH2 . . . . . . . . . rr_1a93 1
. 1 . 878 . 2 2 21 ARG O O 36.323 33.657 6.057 . . . 1.0 . . . . . . . . . . . . B . 22 ARG O . . . . . . . . . rr_1a93 1
. 1 . 879 . 2 2 22 GLN C C 39.400 33.759 6.473 . . . 1.0 . . . . . . . . . . . . B . 23 GLN C . . . . . . . . . rr_1a93 1
. 1 . 880 . 2 2 22 GLN CA C 38.616 32.740 7.294 . . . 1.0 . . . . . . . . . . . . B . 23 GLN CA . . . . . . . . . rr_1a93 1
. 1 . 881 . 2 2 22 GLN CB C 39.601 31.833 8.035 . . . 1.0 . . . . . . . . . . . . B . 23 GLN CB . . . . . . . . . rr_1a93 1
. 1 . 882 . 2 2 22 GLN CD C 38.986 32.498 10.359 . . . 1.0 . . . . . . . . . . . . B . 23 GLN CD . . . . . . . . . rr_1a93 1
. 1 . 883 . 2 2 22 GLN CG C 38.971 31.358 9.346 . . . 1.0 . . . . . . . . . . . . B . 23 GLN CG . . . . . . . . . rr_1a93 1
. 1 . 884 . 2 2 22 GLN H H 37.968 31.014 6.244 . . . 1.0 . . . . . . . . . . . . B . 23 GLN H . . . . . . . . . rr_1a93 1
. 1 . 885 . 2 2 22 GLN HA H 38.009 33.263 8.018 . . . 1.0 . . . . . . . . . . . . B . 23 GLN HA . . . . . . . . . rr_1a93 1
. 1 . 886 . 2 2 22 GLN HB2 H 39.836 30.978 7.417 . . . 1.0 . . . . . . . . . . . . B . 23 GLN HB2 . . . . . . . . . rr_1a93 1
. 1 . 887 . 2 2 22 GLN HB3 H 40.505 32.382 8.250 . . . 1.0 . . . . . . . . . . . . B . 23 GLN HB3 . . . . . . . . . rr_1a93 1
. 1 . 888 . 2 2 22 GLN HE21 H 40.933 32.836 10.165 . . . 1.0 . . . . . . . . . . . . B . 23 GLN HE21 . . . . . . . . . rr_1a93 1
. 1 . 889 . 2 2 22 GLN HE22 H 40.128 33.843 11.269 . . . 1.0 . . . . . . . . . . . . B . 23 GLN HE22 . . . . . . . . . rr_1a93 1
. 1 . 890 . 2 2 22 GLN HG2 H 37.952 31.050 9.165 . . . 1.0 . . . . . . . . . . . . B . 23 GLN HG2 . . . . . . . . . rr_1a93 1
. 1 . 891 . 2 2 22 GLN HG3 H 39.536 30.525 9.736 . . . 1.0 . . . . . . . . . . . . B . 23 GLN HG3 . . . . . . . . . rr_1a93 1
. 1 . 892 . 2 2 22 GLN N N 37.747 31.951 6.426 . . . 1.0 . . . . . . . . . . . . B . 23 GLN N . . . . . . . . . rr_1a93 1
. 1 . 893 . 2 2 22 GLN NE2 N 40.109 33.110 10.619 . . . 1.0 . . . . . . . . . . . . B . 23 GLN NE2 . . . . . . . . . rr_1a93 1
. 1 . 894 . 2 2 22 GLN O O 39.511 34.927 6.847 . . . 1.0 . . . . . . . . . . . . B . 23 GLN O . . . . . . . . . rr_1a93 1
. 1 . 895 . 2 2 22 GLN OE1 O 37.951 32.843 10.930 . . . 1.0 . . . . . . . . . . . . B . 23 GLN OE1 . . . . . . . . . rr_1a93 1
. 1 . 896 . 2 2 23 ASN C C 39.821 35.275 3.896 . . . 1.0 . . . . . . . . . . . . B . 24 ASN C . . . . . . . . . rr_1a93 1
. 1 . 897 . 2 2 23 ASN CA C 40.713 34.182 4.474 . . . 1.0 . . . . . . . . . . . . B . 24 ASN CA . . . . . . . . . rr_1a93 1
. 1 . 898 . 2 2 23 ASN CB C 41.332 33.384 3.324 . . . 1.0 . . . . . . . . . . . . B . 24 ASN CB . . . . . . . . . rr_1a93 1
. 1 . 899 . 2 2 23 ASN CG C 42.232 32.287 3.885 . . . 1.0 . . . . . . . . . . . . B . 24 ASN CG . . . . . . . . . rr_1a93 1
. 1 . 900 . 2 2 23 ASN H H 39.819 32.363 5.099 . . . 1.0 . . . . . . . . . . . . B . 24 ASN H . . . . . . . . . rr_1a93 1
. 1 . 901 . 2 2 23 ASN HA H 41.505 34.640 5.047 . . . 1.0 . . . . . . . . . . . . B . 24 ASN HA . . . . . . . . . rr_1a93 1
. 1 . 902 . 2 2 23 ASN HB2 H 40.545 32.937 2.733 . . . 1.0 . . . . . . . . . . . . B . 24 ASN HB2 . . . . . . . . . rr_1a93 1
. 1 . 903 . 2 2 23 ASN HB3 H 41.918 34.044 2.702 . . . 1.0 . . . . . . . . . . . . B . 24 ASN HB3 . . . . . . . . . rr_1a93 1
. 1 . 904 . 2 2 23 ASN HD21 H 43.271 32.087 2.206 . . . 1.0 . . . . . . . . . . . . B . 24 ASN HD21 . . . . . . . . . rr_1a93 1
. 1 . 905 . 2 2 23 ASN HD22 H 43.743 31.066 3.477 . . . 1.0 . . . . . . . . . . . . B . 24 ASN HD22 . . . . . . . . . rr_1a93 1
. 1 . 906 . 2 2 23 ASN N N 39.941 33.303 5.347 . . . 1.0 . . . . . . . . . . . . B . 24 ASN N . . . . . . . . . rr_1a93 1
. 1 . 907 . 2 2 23 ASN ND2 N 43.159 31.770 3.126 . . . 1.0 . . . . . . . . . . . . B . 24 ASN ND2 . . . . . . . . . rr_1a93 1
. 1 . 908 . 2 2 23 ASN O O 40.264 36.400 3.662 . . . 1.0 . . . . . . . . . . . . B . 24 ASN O . . . . . . . . . rr_1a93 1
. 1 . 909 . 2 2 23 ASN OD1 O 42.092 31.887 5.041 . . . 1.0 . . . . . . . . . . . . B . 24 ASN OD1 . . . . . . . . . rr_1a93 1
. 1 . 910 . 2 2 24 ALA C C 37.431 37.076 4.062 . . . 1.0 . . . . . . . . . . . . B . 25 ALA C . . . . . . . . . rr_1a93 1
. 1 . 911 . 2 2 24 ALA CA C 37.601 35.891 3.118 . . . 1.0 . . . . . . . . . . . . B . 25 ALA CA . . . . . . . . . rr_1a93 1
. 1 . 912 . 2 2 24 ALA CB C 36.240 35.227 2.901 . . . 1.0 . . . . . . . . . . . . B . 25 ALA CB . . . . . . . . . rr_1a93 1
. 1 . 913 . 2 2 24 ALA H H 38.258 34.021 3.875 . . . 1.0 . . . . . . . . . . . . B . 25 ALA H . . . . . . . . . rr_1a93 1
. 1 . 914 . 2 2 24 ALA HA H 37.971 36.248 2.168 . . . 1.0 . . . . . . . . . . . . B . 25 ALA HA . . . . . . . . . rr_1a93 1
. 1 . 915 . 2 2 24 ALA HB1 H 36.009 34.595 3.745 . . . 1.0 . . . . . . . . . . . . B . 25 ALA HB1 . . . . . . . . . rr_1a93 1
. 1 . 916 . 2 2 24 ALA HB2 H 35.480 35.989 2.802 . . . 1.0 . . . . . . . . . . . . B . 25 ALA HB2 . . . . . . . . . rr_1a93 1
. 1 . 917 . 2 2 24 ALA HB3 H 36.270 34.630 2.001 . . . 1.0 . . . . . . . . . . . . B . 25 ALA HB3 . . . . . . . . . rr_1a93 1
. 1 . 918 . 2 2 24 ALA N N 38.555 34.932 3.669 . . . 1.0 . . . . . . . . . . . . B . 25 ALA N . . . . . . . . . rr_1a93 1
. 1 . 919 . 2 2 24 ALA O O 37.650 38.227 3.684 . . . 1.0 . . . . . . . . . . . . B . 25 ALA O . . . . . . . . . rr_1a93 1
. 1 . 920 . 2 2 25 LEU C C 38.152 38.558 6.568 . . . 1.0 . . . . . . . . . . . . B . 26 LEU C . . . . . . . . . rr_1a93 1
. 1 . 921 . 2 2 25 LEU CA C 36.840 37.829 6.295 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CA . . . . . . . . . rr_1a93 1
. 1 . 922 . 2 2 25 LEU CB C 36.320 37.232 7.605 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CB . . . . . . . . . rr_1a93 1
. 1 . 923 . 2 2 25 LEU CD1 C 34.461 35.665 7.032 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CD1 . . . . . . . . . rr_1a93 1
. 1 . 924 . 2 2 25 LEU CD2 C 34.195 37.284 8.915 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CD2 . . . . . . . . . rr_1a93 1
. 1 . 925 . 2 2 25 LEU CG C 34.802 37.072 7.526 . . . 1.0 . . . . . . . . . . . . B . 26 LEU CG . . . . . . . . . rr_1a93 1
. 1 . 926 . 2 2 25 LEU H H 36.879 35.845 5.543 . . . 1.0 . . . . . . . . . . . . B . 26 LEU H . . . . . . . . . rr_1a93 1
. 1 . 927 . 2 2 25 LEU HA H 36.116 38.537 5.922 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HA . . . . . . . . . rr_1a93 1
. 1 . 928 . 2 2 25 LEU HB2 H 36.777 36.267 7.766 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HB2 . . . . . . . . . rr_1a93 1
. 1 . 929 . 2 2 25 LEU HB3 H 36.569 37.890 8.424 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HB3 . . . . . . . . . rr_1a93 1
. 1 . 930 . 2 2 25 LEU HD11 H 34.990 35.469 6.111 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD11 . . . . . . . . . rr_1a93 1
. 1 . 931 . 2 2 25 LEU HD12 H 34.754 34.941 7.777 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD12 . . . . . . . . . rr_1a93 1
. 1 . 932 . 2 2 25 LEU HD13 H 33.397 35.593 6.858 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD13 . . . . . . . . . rr_1a93 1
. 1 . 933 . 2 2 25 LEU HD21 H 34.773 36.739 9.647 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD21 . . . . . . . . . rr_1a93 1
. 1 . 934 . 2 2 25 LEU HD22 H 34.209 38.337 9.157 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD22 . . . . . . . . . rr_1a93 1
. 1 . 935 . 2 2 25 LEU HD23 H 33.176 36.926 8.922 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HD23 . . . . . . . . . rr_1a93 1
. 1 . 936 . 2 2 25 LEU HG H 34.398 37.802 6.839 . . . 1.0 . . . . . . . . . . . . B . 26 LEU HG . . . . . . . . . rr_1a93 1
. 1 . 937 . 2 2 25 LEU N N 37.038 36.781 5.298 . . . 1.0 . . . . . . . . . . . . B . 26 LEU N . . . . . . . . . rr_1a93 1
. 1 . 938 . 2 2 25 LEU O O 38.166 39.755 6.856 . . . 1.0 . . . . . . . . . . . . B . 26 LEU O . . . . . . . . . rr_1a93 1
. 1 . 939 . 2 2 26 LEU C C 40.914 39.415 5.621 . . . 1.0 . . . . . . . . . . . . B . 27 LEU C . . . . . . . . . rr_1a93 1
. 1 . 940 . 2 2 26 LEU CA C 40.573 38.404 6.712 . . . 1.0 . . . . . . . . . . . . B . 27 LEU CA . . . . . . . . . rr_1a93 1
. 1 . 941 . 2 2 26 LEU CB C 41.645 37.314 6.734 . . . 1.0 . . . . . . . . . . . . B . 27 LEU CB . . . . . . . . . rr_1a93 1
. 1 . 942 . 2 2 26 LEU CD1 C 42.337 35.261 7.980 . . . 1.0 . . . . . . . . . . . . B . 27 LEU CD1 . . . . . . . . . rr_1a93 1
. 1 . 943 . 2 2 26 LEU CD2 C 42.368 37.483 9.119 . . . 1.0 . . . . . . . . . . . . B . 27 LEU CD2 . . . . . . . . . rr_1a93 1
. 1 . 944 . 2 2 26 LEU CG C 41.634 36.614 8.095 . . . 1.0 . . . . . . . . . . . . B . 27 LEU CG . . . . . . . . . rr_1a93 1
. 1 . 945 . 2 2 26 LEU H H 39.183 36.872 6.241 . . . 1.0 . . . . . . . . . . . . B . 27 LEU H . . . . . . . . . rr_1a93 1
. 1 . 946 . 2 2 26 LEU HA H 40.566 38.907 7.667 . . . 1.0 . . . . . . . . . . . . B . 27 LEU HA . . . . . . . . . rr_1a93 1
. 1 . 947 . 2 2 26 LEU HB2 H 41.441 36.592 5.956 . . . 1.0 . . . . . . . . . . . . B . 27 LEU HB2 . . . . . . . . . rr_1a93 1
. 1 . 948 . 2 2 26 LEU HB3 H 42.615 37.758 6.568 . . . 1.0 . . . . . . . . . . . . B . 27 LEU HB3 . . . . . . . . . rr_1a93 1
. 1 . 949 . 2 2 26 LEU HD11 H 43.092 35.311 7.209 . . . 1.0 . . . . . . . . . . . . B . 27 LEU HD11 . . . . . . . . . rr_1a93 1
. 1 . 950 . 2 2 26 LEU HD12 H 42.801 35.015 8.923 . . . 1.0 . . . . . . . . . . . . B . 27 LEU HD12 . . . . . . . . . rr_1a93 1
. 1 . 951 . 2 2 26 LEU HD13 H 41.613 34.500 7.725 . . . 1.0 . . . . . . . . . . . . B . 27 LEU HD13 . . . . . . . . . rr_1a93 1
. 1 . 952 . 2 2 26 LEU HD21 H 42.143 38.523 8.936 . . . 1.0 . . . . . . . . . . . . B . 27 LEU HD21 . . . . . . . . . rr_1a93 1
. 1 . 953 . 2 2 26 LEU HD22 H 42.046 37.215 10.114 . . . 1.0 . . . . . . . . . . . . B . 27 LEU HD22 . . . . . . . . . rr_1a93 1
. 1 . 954 . 2 2 26 LEU HD23 H 43.432 37.323 9.029 . . . 1.0 . . . . . . . . . . . . B . 27 LEU HD23 . . . . . . . . . rr_1a93 1
. 1 . 955 . 2 2 26 LEU HG H 40.612 36.464 8.413 . . . 1.0 . . . . . . . . . . . . B . 27 LEU HG . . . . . . . . . rr_1a93 1
. 1 . 956 . 2 2 26 LEU N N 39.255 37.821 6.474 . . . 1.0 . . . . . . . . . . . . B . 27 LEU N . . . . . . . . . rr_1a93 1
. 1 . 957 . 2 2 26 LEU O O 41.157 40.589 5.897 . . . 1.0 . . . . . . . . . . . . B . 27 LEU O . . . . . . . . . rr_1a93 1
. 1 . 958 . 2 2 27 GLU C C 40.274 40.995 3.182 . . . 1.0 . . . . . . . . . . . . B . 28 GLU C . . . . . . . . . rr_1a93 1
. 1 . 959 . 2 2 27 GLU CA C 41.239 39.810 3.239 . . . 1.0 . . . . . . . . . . . . B . 28 GLU CA . . . . . . . . . rr_1a93 1
. 1 . 960 . 2 2 27 GLU CB C 41.142 39.021 1.929 . . . 1.0 . . . . . . . . . . . . B . 28 GLU CB . . . . . . . . . rr_1a93 1
. 1 . 961 . 2 2 27 GLU CD C 42.344 39.041 -0.261 . . . 1.0 . . . . . . . . . . . . B . 28 GLU CD . . . . . . . . . rr_1a93 1
. 1 . 962 . 2 2 27 GLU CG C 41.603 39.897 0.760 . . . 1.0 . . . . . . . . . . . . B . 28 GLU CG . . . . . . . . . rr_1a93 1
. 1 . 963 . 2 2 27 GLU H H 40.722 37.998 4.218 . . . 1.0 . . . . . . . . . . . . B . 28 GLU H . . . . . . . . . rr_1a93 1
. 1 . 964 . 2 2 27 GLU HA H 42.247 40.184 3.348 . . . 1.0 . . . . . . . . . . . . B . 28 GLU HA . . . . . . . . . rr_1a93 1
. 1 . 965 . 2 2 27 GLU HB2 H 41.770 38.144 1.992 . . . 1.0 . . . . . . . . . . . . B . 28 GLU HB2 . . . . . . . . . rr_1a93 1
. 1 . 966 . 2 2 27 GLU HB3 H 40.118 38.719 1.767 . . . 1.0 . . . . . . . . . . . . B . 28 GLU HB3 . . . . . . . . . rr_1a93 1
. 1 . 967 . 2 2 27 GLU HG2 H 40.741 40.352 0.293 . . . 1.0 . . . . . . . . . . . . B . 28 GLU HG2 . . . . . . . . . rr_1a93 1
. 1 . 968 . 2 2 27 GLU HG3 H 42.262 40.669 1.128 . . . 1.0 . . . . . . . . . . . . B . 28 GLU HG3 . . . . . . . . . rr_1a93 1
. 1 . 969 . 2 2 27 GLU N N 40.926 38.943 4.376 . . . 1.0 . . . . . . . . . . . . B . 28 GLU N . . . . . . . . . rr_1a93 1
. 1 . 970 . 2 2 27 GLU O O 40.679 42.135 2.960 . . . 1.0 . . . . . . . . . . . . B . 28 GLU O . . . . . . . . . rr_1a93 1
. 1 . 971 . 2 2 27 GLU OE1 O 41.902 37.931 -0.507 . . . 1.0 . . . . . . . . . . . . B . 28 GLU OE1 . . . . . . . . . rr_1a93 1
. 1 . 972 . 2 2 27 GLU OE2 O 43.343 39.508 -0.783 . . . 1.0 . . . . . . . . . . . . B . 28 GLU OE2 . . . . . . . . . rr_1a93 1
. 1 . 973 . 2 2 28 GLN C C 38.285 42.856 4.366 . . . 1.0 . . . . . . . . . . . . B . 29 GLN C . . . . . . . . . rr_1a93 1
. 1 . 974 . 2 2 28 GLN CA C 37.964 41.751 3.359 . . . 1.0 . . . . . . . . . . . . B . 29 GLN CA . . . . . . . . . rr_1a93 1
. 1 . 975 . 2 2 28 GLN CB C 36.593 41.160 3.693 . . . 1.0 . . . . . . . . . . . . B . 29 GLN CB . . . . . . . . . rr_1a93 1
. 1 . 976 . 2 2 28 GLN CD C 34.183 41.233 3.056 . . . 1.0 . . . . . . . . . . . . B . 29 GLN CD . . . . . . . . . rr_1a93 1
. 1 . 977 . 2 2 28 GLN CG C 35.500 42.001 3.032 . . . 1.0 . . . . . . . . . . . . B . 29 GLN CG . . . . . . . . . rr_1a93 1
. 1 . 978 . 2 2 28 GLN H H 38.729 39.779 3.557 . . . 1.0 . . . . . . . . . . . . B . 29 GLN H . . . . . . . . . rr_1a93 1
. 1 . 979 . 2 2 28 GLN HA H 37.927 42.179 2.369 . . . 1.0 . . . . . . . . . . . . B . 29 GLN HA . . . . . . . . . rr_1a93 1
. 1 . 980 . 2 2 28 GLN HB2 H 36.540 40.145 3.325 . . . 1.0 . . . . . . . . . . . . B . 29 GLN HB2 . . . . . . . . . rr_1a93 1
. 1 . 981 . 2 2 28 GLN HB3 H 36.450 41.163 4.763 . . . 1.0 . . . . . . . . . . . . B . 29 GLN HB3 . . . . . . . . . rr_1a93 1
. 1 . 982 . 2 2 28 GLN HE21 H 33.575 41.940 1.303 . . . 1.0 . . . . . . . . . . . . B . 29 GLN HE21 . . . . . . . . . rr_1a93 1
. 1 . 983 . 2 2 28 GLN HE22 H 32.502 40.867 2.064 . . . 1.0 . . . . . . . . . . . . B . 29 GLN HE22 . . . . . . . . . rr_1a93 1
. 1 . 984 . 2 2 28 GLN HG2 H 35.385 42.930 3.572 . . . 1.0 . . . . . . . . . . . . B . 29 GLN HG2 . . . . . . . . . rr_1a93 1
. 1 . 985 . 2 2 28 GLN HG3 H 35.774 42.210 2.009 . . . 1.0 . . . . . . . . . . . . B . 29 GLN HG3 . . . . . . . . . rr_1a93 1
. 1 . 986 . 2 2 28 GLN N N 38.991 40.707 3.387 . . . 1.0 . . . . . . . . . . . . B . 29 GLN N . . . . . . . . . rr_1a93 1
. 1 . 987 . 2 2 28 GLN NE2 N 33.351 41.357 2.058 . . . 1.0 . . . . . . . . . . . . B . 29 GLN NE2 . . . . . . . . . rr_1a93 1
. 1 . 988 . 2 2 28 GLN O O 37.949 44.022 4.157 . . . 1.0 . . . . . . . . . . . . B . 29 GLN O . . . . . . . . . rr_1a93 1
. 1 . 989 . 2 2 28 GLN OE1 O 33.901 40.500 4.004 . . . 1.0 . . . . . . . . . . . . B . 29 GLN OE1 . . . . . . . . . rr_1a93 1
. 1 . 990 . 2 2 29 GLN C C 40.691 44.024 6.202 . . . 1.0 . . . . . . . . . . . . B . 30 GLN C . . . . . . . . . rr_1a93 1
. 1 . 991 . 2 2 29 GLN CA C 39.311 43.441 6.490 . . . 1.0 . . . . . . . . . . . . B . 30 GLN CA . . . . . . . . . rr_1a93 1
. 1 . 992 . 2 2 29 GLN CB C 39.328 42.773 7.866 . . . 1.0 . . . . . . . . . . . . B . 30 GLN CB . . . . . . . . . rr_1a93 1
. 1 . 993 . 2 2 29 GLN CD C 38.552 43.239 10.191 . . . 1.0 . . . . . . . . . . . . B . 30 GLN CD . . . . . . . . . rr_1a93 1
. 1 . 994 . 2 2 29 GLN CG C 39.211 43.842 8.955 . . . 1.0 . . . . . . . . . . . . B . 30 GLN CG . . . . . . . . . rr_1a93 1
. 1 . 995 . 2 2 29 GLN H H 39.188 41.533 5.570 . . . 1.0 . . . . . . . . . . . . B . 30 GLN H . . . . . . . . . rr_1a93 1
. 1 . 996 . 2 2 29 GLN HA H 38.586 44.241 6.498 . . . 1.0 . . . . . . . . . . . . B . 30 GLN HA . . . . . . . . . rr_1a93 1
. 1 . 997 . 2 2 29 GLN HB2 H 38.497 42.087 7.943 . . . 1.0 . . . . . . . . . . . . B . 30 GLN HB2 . . . . . . . . . rr_1a93 1
. 1 . 998 . 2 2 29 GLN HB3 H 40.254 42.234 7.993 . . . 1.0 . . . . . . . . . . . . B . 30 GLN HB3 . . . . . . . . . rr_1a93 1
. 1 . 999 . 2 2 29 GLN HE21 H 37.096 44.588 10.247 . . . 1.0 . . . . . . . . . . . . B . 30 GLN HE21 . . . . . . . . . rr_1a93 1
. 1 . 1000 . 2 2 29 GLN HE22 H 37.044 43.413 11.471 . . . 1.0 . . . . . . . . . . . . B . 30 GLN HE22 . . . . . . . . . rr_1a93 1
. 1 . 1001 . 2 2 29 GLN HG2 H 40.196 44.204 9.211 . . . 1.0 . . . . . . . . . . . . B . 30 GLN HG2 . . . . . . . . . rr_1a93 1
. 1 . 1002 . 2 2 29 GLN HG3 H 38.609 44.662 8.592 . . . 1.0 . . . . . . . . . . . . B . 30 GLN HG3 . . . . . . . . . rr_1a93 1
. 1 . 1003 . 2 2 29 GLN N N 38.944 42.476 5.457 . . . 1.0 . . . . . . . . . . . . B . 30 GLN N . . . . . . . . . rr_1a93 1
. 1 . 1004 . 2 2 29 GLN NE2 N 37.475 43.793 10.677 . . . 1.0 . . . . . . . . . . . . B . 30 GLN NE2 . . . . . . . . . rr_1a93 1
. 1 . 1005 . 2 2 29 GLN O O 40.962 45.190 6.487 . . . 1.0 . . . . . . . . . . . . B . 30 GLN O . . . . . . . . . rr_1a93 1
. 1 . 1006 . 2 2 29 GLN OE1 O 39.028 42.241 10.731 . . . 1.0 . . . . . . . . . . . . B . 30 GLN OE1 . . . . . . . . . rr_1a93 1
. 1 . 1007 . 2 2 30 VAL C C 42.888 44.597 4.119 . . . 1.0 . . . . . . . . . . . . B . 31 VAL C . . . . . . . . . rr_1a93 1
. 1 . 1008 . 2 2 30 VAL CA C 42.914 43.629 5.301 . . . 1.0 . . . . . . . . . . . . B . 31 VAL CA . . . . . . . . . rr_1a93 1
. 1 . 1009 . 2 2 30 VAL CB C 43.788 42.416 4.951 . . . 1.0 . . . . . . . . . . . . B . 31 VAL CB . . . . . . . . . rr_1a93 1
. 1 . 1010 . 2 2 30 VAL CG1 C 45.230 42.867 4.694 . . . 1.0 . . . . . . . . . . . . B . 31 VAL CG1 . . . . . . . . . rr_1a93 1
. 1 . 1011 . 2 2 30 VAL CG2 C 43.767 41.417 6.117 . . . 1.0 . . . . . . . . . . . . B . 31 VAL CG2 . . . . . . . . . rr_1a93 1
. 1 . 1012 . 2 2 30 VAL H H 41.285 42.276 5.426 . . . 1.0 . . . . . . . . . . . . B . 31 VAL H . . . . . . . . . rr_1a93 1
. 1 . 1013 . 2 2 30 VAL HA H 43.340 44.131 6.157 . . . 1.0 . . . . . . . . . . . . B . 31 VAL HA . . . . . . . . . rr_1a93 1
. 1 . 1014 . 2 2 30 VAL HB H 43.399 41.941 4.063 . . . 1.0 . . . . . . . . . . . . B . 31 VAL HB . . . . . . . . . rr_1a93 1
. 1 . 1015 . 2 2 30 VAL HG11 H 45.477 43.681 5.359 . . . 1.0 . . . . . . . . . . . . B . 31 VAL HG11 . . . . . . . . . rr_1a93 1
. 1 . 1016 . 2 2 30 VAL HG12 H 45.902 42.040 4.871 . . . 1.0 . . . . . . . . . . . . B . 31 VAL HG12 . . . . . . . . . rr_1a93 1
. 1 . 1017 . 2 2 30 VAL HG13 H 45.326 43.196 3.670 . . . 1.0 . . . . . . . . . . . . B . 31 VAL HG13 . . . . . . . . . rr_1a93 1
. 1 . 1018 . 2 2 30 VAL HG21 H 42.931 41.634 6.766 . . . 1.0 . . . . . . . . . . . . B . 31 VAL HG21 . . . . . . . . . rr_1a93 1
. 1 . 1019 . 2 2 30 VAL HG22 H 43.669 40.415 5.728 . . . 1.0 . . . . . . . . . . . . B . 31 VAL HG22 . . . . . . . . . rr_1a93 1
. 1 . 1020 . 2 2 30 VAL HG23 H 44.686 41.495 6.679 . . . 1.0 . . . . . . . . . . . . B . 31 VAL HG23 . . . . . . . . . rr_1a93 1
. 1 . 1021 . 2 2 30 VAL N N 41.559 43.194 5.630 . . . 1.0 . . . . . . . . . . . . B . 31 VAL N . . . . . . . . . rr_1a93 1
. 1 . 1022 . 2 2 30 VAL O O 43.708 45.511 4.029 . . . 1.0 . . . . . . . . . . . . B . 31 VAL O . . . . . . . . . rr_1a93 1
. 1 . 1023 . 2 2 31 ARG C C 41.422 46.661 2.457 . . . 1.0 . . . . . . . . . . . . B . 32 ARG C . . . . . . . . . rr_1a93 1
. 1 . 1024 . 2 2 31 ARG CA C 41.810 45.246 2.041 . . . 1.0 . . . . . . . . . . . . B . 32 ARG CA . . . . . . . . . rr_1a93 1
. 1 . 1025 . 2 2 31 ARG CB C 40.748 44.698 1.087 . . . 1.0 . . . . . . . . . . . . B . 32 ARG CB . . . . . . . . . rr_1a93 1
. 1 . 1026 . 2 2 31 ARG CD C 39.865 45.070 -1.221 . . . 1.0 . . . . . . . . . . . . B . 32 ARG CD . . . . . . . . . rr_1a93 1
. 1 . 1027 . 2 2 31 ARG CG C 41.124 45.053 -0.353 . . . 1.0 . . . . . . . . . . . . B . 32 ARG CG . . . . . . . . . rr_1a93 1
. 1 . 1028 . 2 2 31 ARG CZ C 39.292 45.367 -3.590 . . . 1.0 . . . . . . . . . . . . B . 32 ARG CZ . . . . . . . . . rr_1a93 1
. 1 . 1029 . 2 2 31 ARG H H 41.309 43.643 3.339 . . . 1.0 . . . . . . . . . . . . B . 32 ARG H . . . . . . . . . rr_1a93 1
. 1 . 1030 . 2 2 31 ARG HA H 42.758 45.278 1.527 . . . 1.0 . . . . . . . . . . . . B . 32 ARG HA . . . . . . . . . rr_1a93 1
. 1 . 1031 . 2 2 31 ARG HB2 H 40.689 43.624 1.191 . . . 1.0 . . . . . . . . . . . . B . 32 ARG HB2 . . . . . . . . . rr_1a93 1
. 1 . 1032 . 2 2 31 ARG HB3 H 39.790 45.136 1.325 . . . 1.0 . . . . . . . . . . . . B . 32 ARG HB3 . . . . . . . . . rr_1a93 1
. 1 . 1033 . 2 2 31 ARG HD2 H 39.416 44.088 -1.215 . . . 1.0 . . . . . . . . . . . . B . 32 ARG HD2 . . . . . . . . . rr_1a93 1
. 1 . 1034 . 2 2 31 ARG HD3 H 39.163 45.784 -0.814 . . . 1.0 . . . . . . . . . . . . B . 32 ARG HD3 . . . . . . . . . rr_1a93 1
. 1 . 1035 . 2 2 31 ARG HE H 41.099 45.753 -2.804 . . . 1.0 . . . . . . . . . . . . B . 32 ARG HE . . . . . . . . . rr_1a93 1
. 1 . 1036 . 2 2 31 ARG HG2 H 41.589 46.028 -0.373 . . . 1.0 . . . . . . . . . . . . B . 32 ARG HG2 . . . . . . . . . rr_1a93 1
. 1 . 1037 . 2 2 31 ARG HG3 H 41.814 44.317 -0.737 . . . 1.0 . . . . . . . . . . . . B . 32 ARG HG3 . . . . . . . . . rr_1a93 1
. 1 . 1038 . 2 2 31 ARG HH11 H 37.783 44.688 -2.448 . . . 1.0 . . . . . . . . . . . . B . 32 ARG HH11 . . . . . . . . . rr_1a93 1
. 1 . 1039 . 2 2 31 ARG HH12 H 37.413 44.910 -4.123 . . . 1.0 . . . . . . . . . . . . B . 32 ARG HH12 . . . . . . . . . rr_1a93 1
. 1 . 1040 . 2 2 31 ARG HH21 H 40.574 46.027 -4.980 . . . 1.0 . . . . . . . . . . . . B . 32 ARG HH21 . . . . . . . . . rr_1a93 1
. 1 . 1041 . 2 2 31 ARG HH22 H 38.978 45.661 -5.546 . . . 1.0 . . . . . . . . . . . . B . 32 ARG HH22 . . . . . . . . . rr_1a93 1
. 1 . 1042 . 2 2 31 ARG N N 41.936 44.386 3.215 . . . 1.0 . . . . . . . . . . . . B . 32 ARG N . . . . . . . . . rr_1a93 1
. 1 . 1043 . 2 2 31 ARG NE N 40.193 45.441 -2.599 . . . 1.0 . . . . . . . . . . . . B . 32 ARG NE . . . . . . . . . rr_1a93 1
. 1 . 1044 . 2 2 31 ARG NH1 N 38.067 44.956 -3.368 . . . 1.0 . . . . . . . . . . . . B . 32 ARG NH1 . . . . . . . . . rr_1a93 1
. 1 . 1045 . 2 2 31 ARG NH2 N 39.642 45.712 -4.800 . . . 1.0 . . . . . . . . . . . . B . 32 ARG NH2 . . . . . . . . . rr_1a93 1
. 1 . 1046 . 2 2 31 ARG O O 41.887 47.643 1.879 . . . 1.0 . . . . . . . . . . . . B . 32 ARG O . . . . . . . . . rr_1a93 1
. 1 . 1047 . 2 2 32 ALA C C 41.241 48.749 4.722 . . . 1.0 . . . . . . . . . . . . B . 33 ALA C . . . . . . . . . rr_1a93 1
. 1 . 1048 . 2 2 32 ALA CA C 40.117 48.053 3.961 . . . 1.0 . . . . . . . . . . . . B . 33 ALA CA . . . . . . . . . rr_1a93 1
. 1 . 1049 . 2 2 32 ALA CB C 38.913 47.890 4.889 . . . 1.0 . . . . . . . . . . . . B . 33 ALA CB . . . . . . . . . rr_1a93 1
. 1 . 1050 . 2 2 32 ALA H H 40.228 45.935 3.892 . . . 1.0 . . . . . . . . . . . . B . 33 ALA H . . . . . . . . . rr_1a93 1
. 1 . 1051 . 2 2 32 ALA HA H 39.830 48.666 3.120 . . . 1.0 . . . . . . . . . . . . B . 33 ALA HA . . . . . . . . . rr_1a93 1
. 1 . 1052 . 2 2 32 ALA HB1 H 39.160 47.200 5.682 . . . 1.0 . . . . . . . . . . . . B . 33 ALA HB1 . . . . . . . . . rr_1a93 1
. 1 . 1053 . 2 2 32 ALA HB2 H 38.654 48.849 5.314 . . . 1.0 . . . . . . . . . . . . B . 33 ALA HB2 . . . . . . . . . rr_1a93 1
. 1 . 1054 . 2 2 32 ALA HB3 H 38.074 47.508 4.326 . . . 1.0 . . . . . . . . . . . . B . 33 ALA HB3 . . . . . . . . . rr_1a93 1
. 1 . 1055 . 2 2 32 ALA N N 40.565 46.753 3.469 . . . 1.0 . . . . . . . . . . . . B . 33 ALA N . . . . . . . . . rr_1a93 1
. 1 . 1056 . 2 2 32 ALA O O 41.351 49.975 4.711 . . . 1.0 . . . . . . . . . . . . B . 33 ALA O . . . . . . . . . rr_1a93 1
. 1 . 1057 . 2 2 33 LEU C C 44.499 48.328 5.383 . . . 1.0 . . . . . . . . . . . . B . 34 LEU C . . . . . . . . . rr_1a93 1
. 1 . 1058 . 2 2 33 LEU CA C 43.191 48.500 6.149 . . . 1.0 . . . . . . . . . . . . B . 34 LEU CA . . . . . . . . . rr_1a93 1
. 1 . 1059 . 2 2 33 LEU CB C 43.310 47.795 7.502 . . . 1.0 . . . . . . . . . . . . B . 34 LEU CB . . . . . . . . . rr_1a93 1
. 1 . 1060 . 2 2 33 LEU CD1 C 40.988 47.838 8.423 . . . 1.0 . . . . . . . . . . . . B . 34 LEU CD1 . . . . . . . . . rr_1a93 1
. 1 . 1061 . 2 2 33 LEU CD2 C 42.935 48.274 9.924 . . . 1.0 . . . . . . . . . . . . B . 34 LEU CD2 . . . . . . . . . rr_1a93 1
. 1 . 1062 . 2 2 33 LEU CG C 42.379 48.468 8.512 . . . 1.0 . . . . . . . . . . . . B . 34 LEU CG . . . . . . . . . rr_1a93 1
. 1 . 1063 . 2 2 33 LEU H H 41.939 46.982 5.356 . . . 1.0 . . . . . . . . . . . . B . 34 LEU H . . . . . . . . . rr_1a93 1
. 1 . 1064 . 2 2 33 LEU HA H 43.018 49.552 6.318 . . . 1.0 . . . . . . . . . . . . B . 34 LEU HA . . . . . . . . . rr_1a93 1
. 1 . 1065 . 2 2 33 LEU HB2 H 43.034 46.756 7.392 . . . 1.0 . . . . . . . . . . . . B . 34 LEU HB2 . . . . . . . . . rr_1a93 1
. 1 . 1066 . 2 2 33 LEU HB3 H 44.328 47.862 7.855 . . . 1.0 . . . . . . . . . . . . B . 34 LEU HB3 . . . . . . . . . rr_1a93 1
. 1 . 1067 . 2 2 33 LEU HD11 H 41.080 46.797 8.151 . . . 1.0 . . . . . . . . . . . . B . 34 LEU HD11 . . . . . . . . . rr_1a93 1
. 1 . 1068 . 2 2 33 LEU HD12 H 40.495 47.918 9.380 . . . 1.0 . . . . . . . . . . . . B . 34 LEU HD12 . . . . . . . . . rr_1a93 1
. 1 . 1069 . 2 2 33 LEU HD13 H 40.406 48.356 7.674 . . . 1.0 . . . . . . . . . . . . B . 34 LEU HD13 . . . . . . . . . rr_1a93 1
. 1 . 1070 . 2 2 33 LEU HD21 H 44.013 48.345 9.900 . . . 1.0 . . . . . . . . . . . . B . 34 LEU HD21 . . . . . . . . . rr_1a93 1
. 1 . 1071 . 2 2 33 LEU HD22 H 42.539 49.039 10.575 . . . 1.0 . . . . . . . . . . . . B . 34 LEU HD22 . . . . . . . . . rr_1a93 1
. 1 . 1072 . 2 2 33 LEU HD23 H 42.647 47.301 10.294 . . . 1.0 . . . . . . . . . . . . B . 34 LEU HD23 . . . . . . . . . rr_1a93 1
. 1 . 1073 . 2 2 33 LEU HG H 42.311 49.523 8.291 . . . 1.0 . . . . . . . . . . . . B . 34 LEU HG . . . . . . . . . rr_1a93 1
. 1 . 1074 . 2 2 33 LEU N N 42.075 47.952 5.383 . . . 1.0 . . . . . . . . . . . . B . 34 LEU N . . . . . . . . . rr_1a93 1
. 1 . 1075 . 2 2 33 LEU O O 45.229 47.358 5.589 . . . 1.0 . . . . . . . . . . . . B . 34 LEU O . . . . . . . . . rr_1a93 1
. 1 . 1076 . 2 2 34 NH2 HN1 H 44.262 49.996 4.332 . . . 1.0 . . . . . . . . . . . . B . 35 NH2 HN1 . . . . . . . . . rr_1a93 1
. 1 . 1077 . 2 2 34 NH2 HN2 H 45.680 49.124 4.000 . . . 1.0 . . . . . . . . . . . . B . 35 NH2 HN2 . . . . . . . . . rr_1a93 1
. 1 . 1078 . 2 2 34 NH2 N N 44.842 49.223 4.498 . . . 1.0 . . . . . . . . . . . . B . 35 NH2 N . . . . . . . . . rr_1a93 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_1a93
_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 1a93.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1a93 1
1 1a93.mr . . XPLOR/CNS 2 distance NOE simple 116 rr_1a93 1
1 1a93.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1a93 1
1 1a93.mr . . XPLOR/CNS 4 distance NOE simple 120 rr_1a93 1
1 1a93.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 rr_1a93 1
1 1a93.mr . . XPLOR/CNS 6 distance NOE simple 138 rr_1a93 1
1 1a93.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 rr_1a93 1
1 1a93.mr . . XPLOR/CNS 8 distance NOE simple 69 rr_1a93 1
1 1a93.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 rr_1a93 1
1 1a93.mr . . XPLOR/CNS 10 distance "hydrogen bond" simple 48 rr_1a93 1
1 1a93.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 rr_1a93 1
1 1a93.mr . . XPLOR/CNS 12 "dihedral angle" "Not applicable" "Not applicable" 68 rr_1a93 1
1 1a93.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 rr_1a93 1
1 1a93.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1a93 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_1a93
_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: '1a93'" . . . . distance "general distance" . 116 rr_1a93 1
2 "From CCPN project: '1a93'" . . . . distance "general distance" . 120 rr_1a93 1
3 "From CCPN project: '1a93'" . . . . distance "general distance" . 138 rr_1a93 1
4 "From CCPN project: '1a93'" . . . . distance "general distance" . 68 rr_1a93 1
5 "From CCPN project: '1a93'" . . . . distance "hydrogen bond" . 48 rr_1a93 1
6 "From CCPN project: '1a93'" . . . . "dihedral angle" "Not applicable" . 68 rr_1a93 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 1a93.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 rr_1a93 1
1 1a93.mr . . XPLOR/CNS 2 distance NOE simple 116 rr_1a93 1
1 1a93.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 rr_1a93 1
1 1a93.mr . . XPLOR/CNS 4 distance NOE simple 120 rr_1a93 1
1 1a93.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 rr_1a93 1
1 1a93.mr . . XPLOR/CNS 6 distance NOE simple 138 rr_1a93 1
1 1a93.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 rr_1a93 1
1 1a93.mr . . XPLOR/CNS 8 distance NOE simple 69 rr_1a93 1
1 1a93.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 rr_1a93 1
1 1a93.mr . . XPLOR/CNS 10 distance "hydrogen bond" simple 48 rr_1a93 1
1 1a93.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 rr_1a93 1
1 1a93.mr . . XPLOR/CNS 12 "dihedral angle" "Not applicable" "Not applicable" 68 rr_1a93 1
1 1a93.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 rr_1a93 1
1 1a93.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 rr_1a93 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_1a93
_Gen_dist_constraint_list.ID 1
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 2
loop_
_Gen_dist_constraint_software.Software_ID
_Gen_dist_constraint_software.Software_label
_Gen_dist_constraint_software.Method_ID
_Gen_dist_constraint_software.Method_label
_Gen_dist_constraint_software.Entry_ID
_Gen_dist_constraint_software.Gen_dist_constraint_list_ID
. . . . rr_1a93 1
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 . . 1 1 5 5 VAL HA H . . . 1 1 6 6 GLN H H . . . . . 3.5 1.8 4.0 . . . . . A . 6 VAL HA . . A . 7 GLN H . a . 6 . HA . . . a . 7 . HN . . rr_1a93 1
2 1 . . 1 1 7 7 ALA HA H . . . 1 1 8 8 GLU H H . . . . . 3.5 1.8 4.5 . . . . . A . 8 ALA HA . . A . 9 GLU H . a . 8 . HA . . . a . 9 . HN . . rr_1a93 1
3 1 . . 1 1 13 13 ILE HA H . . . 1 1 14 14 SER H H . . . . . 3.5 1.8 4.0 . . . . . A . 14 ILE HA . . A . 15 SER H . a . 14 . HA . . . a . 15 . HN . . rr_1a93 1
4 1 . . 1 1 14 14 SER HA H . . . 1 1 15 15 GLU H H . . . . . 3.5 1.8 4.0 . . . . . A . 15 SER HA . . A . 16 GLU H . a . 15 . HA . . . a . 16 . HN . . rr_1a93 1
5 1 . . 1 1 16 16 GLU HA H . . . 1 1 17 17 ASP H H . . . . . 3.5 1.8 4.0 . . . . . A . 17 GLU HA . . A . 18 ASP H . a . 17 . HA . . . a . 18 . HN . . rr_1a93 1
6 1 . . 1 1 17 17 ASP HA H . . . 1 1 18 18 LEU H H . . . . . 3.5 1.8 4.0 . . . . . A . 18 ASP HA . . A . 19 LEU H . a . 18 . HA . . . a . 19 . HN . . rr_1a93 1
7 1 . . 1 1 18 18 LEU HA H . . . 1 1 19 19 LEU H H . . . . . 3.5 1.8 4.0 . . . . . A . 19 LEU HA . . A . 20 LEU H . a . 19 . HA . . . a . 20 . HN . . rr_1a93 1
8 1 . . 1 1 22 22 ARG HA H . . . 1 1 23 23 ARG H H . . . . . 3.5 1.8 4.0 . . . . . A . 23 ARG HA . . A . 24 ARG H . a . 23 . HA . . . a . 24 . HN . . rr_1a93 1
9 1 . . 1 1 25 25 GLN HA H . . . 1 1 26 26 LEU H H . . . . . 3.5 1.8 4.0 . . . . . A . 26 GLN HA . . A . 27 LEU H . a . 26 . HA . . . a . 27 . HN . . rr_1a93 1
10 1 . . 1 1 28 28 HIS HA H . . . 1 1 29 29 LYS H H . . . . . 3.5 1.8 4.0 . . . . . A . 29 HIS HA . . A . 30 LYS H . a . 29 . HA . . . a . 30 . HN . . rr_1a93 1
11 1 . . 1 1 32 32 GLN HA H . . . 1 1 33 33 LEU H H . . . . . 3.5 1.8 4.0 . . . . . A . 33 GLN HA . . A . 34 LEU H . a . 33 . HA . . . a . 34 . HN . . rr_1a93 1
12 1 . . 1 1 6 6 GLN H H . . . 1 1 5 5 VAL H H . . . . . 3.0 1.8 3.5 . . . . . A . 7 GLN H . . A . 6 VAL H . a . 7 . HN . . . a . 6 . HN . . rr_1a93 1
13 1 . . 1 1 8 8 GLU H H . . . 1 1 9 9 GLU H H . . . . . 2.5 1.8 3.0 . . . . . A . 9 GLU H . . A . 10 GLU H . a . 9 . HN . . . a . 10 . HN . . rr_1a93 1
14 1 . . 1 1 9 9 GLU H H . . . 1 1 10 10 GLN H H . . . . . 2.5 1.8 3.0 . . . . . A . 10 GLU H . . A . 11 GLN H . a . 10 . HN . . . a . 11 . HN . . rr_1a93 1
15 1 . . 1 1 14 14 SER H H . . . 1 1 13 13 ILE H H . . . . . 3.0 1.8 3.5 . . . . . A . 15 SER H . . A . 14 ILE H . a . 15 . HN . . . a . 14 . HN . . rr_1a93 1
16 1 . . 1 1 14 14 SER H H . . . 1 1 15 15 GLU H H . . . . . 3.0 1.8 3.5 . . . . . A . 15 SER H . . A . 16 GLU H . a . 15 . HN . . . a . 16 . HN . . rr_1a93 1
17 1 . . 1 1 15 15 GLU H H . . . 1 1 16 16 GLU H H . . . . . 3.0 1.8 3.5 . . . . . A . 16 GLU H . . A . 17 GLU H . a . 16 . HN . . . a . 17 . HN . . rr_1a93 1
18 1 . . 1 1 17 17 ASP H H . . . 1 1 16 16 GLU H H . . . . . 3.0 1.8 3.5 . . . . . A . 18 ASP H . . A . 17 GLU H . a . 18 . HN . . . a . 17 . HN . . rr_1a93 1
19 1 . . 1 1 17 17 ASP H H . . . 1 1 18 18 LEU H H . . . . . 2.5 1.8 3.0 . . . . . A . 18 ASP H . . A . 19 LEU H . a . 18 . HN . . . a . 19 . HN . . rr_1a93 1
20 1 . . 1 1 23 23 ARG H H . . . 1 1 24 24 GLU H H . . . . . 2.5 1.8 3.0 . . . . . A . 24 ARG H . . A . 25 GLU H . a . 24 . HN . . . a . 25 . HN . . rr_1a93 1
21 1 . . 1 1 24 24 GLU H H . . . 1 1 25 25 GLN H H . . . . . 2.5 1.8 3.0 . . . . . A . 25 GLU H . . A . 26 GLN H . a . 25 . HN . . . a . 26 . HN . . rr_1a93 1
22 1 . . 1 1 26 26 LEU H H . . . 1 1 25 25 GLN H H . . . . . 2.5 1.8 3.0 . . . . . A . 27 LEU H . . A . 26 GLN H . a . 27 . HN . . . a . 26 . HN . . rr_1a93 1
23 1 . . 1 1 27 27 LYS H H . . . 1 1 28 28 HIS H H . . . . . 2.5 1.8 3.0 . . . . . A . 28 LYS H . . A . 29 HIS H . a . 28 . HN . . . a . 29 . HN . . rr_1a93 1
24 1 . . 1 1 30 30 LEU H H . . . 1 1 31 31 GLU H H . . . . . 2.5 1.8 3.0 . . . . . A . 31 LEU H . . A . 32 GLU H . a . 31 . HN . . . a . 32 . HN . . rr_1a93 1
25 1 . . 1 1 31 31 GLU H H . . . 1 1 32 32 GLN H H . . . . . 2.5 1.8 3.0 . . . . . A . 32 GLU H . . A . 33 GLN H . a . 32 . HN . . . a . 33 . HN . . rr_1a93 1
26 1 . . 1 1 33 33 LEU H H . . . 1 1 32 32 GLN H H . . . . . 2.5 1.8 3.0 . . . . . A . 34 LEU H . . A . 33 GLN H . a . 34 . HN . . . a . 33 . HN . . rr_1a93 1
27 1 . . 1 1 6 6 GLN H H . . . 1 1 5 5 VAL HB H . . . . . 3.5 1.8 4.0 . . . . . A . 7 GLN H . . A . 6 VAL HB . a . 7 . HN . . . a . 6 . HB . . rr_1a93 1
28 1 . . 1 1 8 8 GLU H H . . . 1 1 7 7 ALA MB H . . . . . 3.5 1.8 4.0 . . . . . A . 9 GLU H . . A . 8 ALA MB . a . 9 . HN . . . a . 8 . HB* . . rr_1a93 1
29 1 OR . 1 1 10 10 GLN H H . . . 1 1 9 9 GLU HB2 H . . . . . 3.5 2.3 4.5 . . . . . A . 11 GLN H . . A . 10 GLU HB2 . a . 11 . HN . . . a . 10 . HB* . . rr_1a93 1
29 2 OR . 1 1 10 10 GLN H H . . . 1 1 9 9 GLU HB3 H . . . . . 3.5 2.3 4.5 . . . . . A . 11 GLN H . . A . 10 GLU HB3 . a . 11 . HN . . . a . 10 . HB* . . rr_1a93 1
30 1 OR . 1 1 11 11 LYS H H . . . 1 1 10 10 GLN HB2 H . . . . . 3.5 2.3 4.5 . . . . . A . 12 LYS H . . A . 11 GLN HB2 . a . 12 . HN . . . a . 11 . HB* . . rr_1a93 1
30 2 OR . 1 1 10 10 GLN HB3 H . . . 1 1 11 11 LYS H H . . . . . 3.5 2.3 4.5 . . . . . A . 11 GLN HB3 . . A . 12 LYS H . a . 11 . HB* . . . a . 12 . HN . . rr_1a93 1
31 1 . . 1 1 13 13 ILE H H . . . 1 1 12 12 LEU HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 14 ILE H . . A . 13 LEU HB3 . a . 14 . HN . . . a . 13 . HB1 . . rr_1a93 1
32 1 . . 1 1 13 13 ILE H H . . . 1 1 12 12 LEU HB2 H . . . . . 3.5 1.8 4.0 . . . . . A . 14 ILE H . . A . 13 LEU HB2 . a . 14 . HN . . . a . 13 . HB2 . . rr_1a93 1
33 1 . . 1 1 14 14 SER H H . . . 1 1 13 13 ILE HB H . . . . . 3.5 1.8 4.0 . . . . . A . 15 SER H . . A . 14 ILE HB . a . 15 . HN . . . a . 14 . HB . . rr_1a93 1
34 1 OR . 1 1 15 15 GLU H H . . . 1 1 14 14 SER HB2 H . . . . . 3.5 1.8 4.5 . . . . . A . 16 GLU H . . A . 15 SER HB2 . a . 16 . HN . . . a . 15 . HB* . . rr_1a93 1
34 2 OR . 1 1 15 15 GLU H H . . . 1 1 14 14 SER HB3 H . . . . . 3.5 1.8 4.5 . . . . . A . 16 GLU H . . A . 15 SER HB3 . a . 16 . HN . . . a . 15 . HB* . . rr_1a93 1
35 1 . . 1 1 18 18 LEU H H . . . 1 1 17 17 ASP HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 19 LEU H . . A . 18 ASP HB3 . a . 19 . HN . . . a . 18 . HB1 . . rr_1a93 1
36 1 . . 1 1 18 18 LEU H H . . . 1 1 17 17 ASP HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 19 LEU H . . A . 18 ASP HB2 . a . 19 . HN . . . a . 18 . HB2 . . rr_1a93 1
37 1 . . 1 1 19 19 LEU H H . . . 1 1 18 18 LEU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 20 LEU H . . A . 19 LEU HB3 . a . 20 . HN . . . a . 19 . HB1 . . rr_1a93 1
38 1 . . 1 1 19 19 LEU H H . . . 1 1 18 18 LEU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 20 LEU H . . A . 19 LEU HB2 . a . 20 . HN . . . a . 19 . HB2 . . rr_1a93 1
39 1 . . 1 1 19 19 LEU HB3 H . . . 1 1 20 20 ARG H H . . . . . 4.0 1.8 4.5 . . . . . A . 20 LEU HB3 . . A . 21 ARG H . a . 20 . HB1 . . . a . 21 . HN . . rr_1a93 1
40 1 . . 1 1 20 20 ARG H H . . . 1 1 19 19 LEU HB2 H . . . . . 3.5 1.8 4.0 . . . . . A . 21 ARG H . . A . 20 LEU HB2 . a . 21 . HN . . . a . 20 . HB2 . . rr_1a93 1
41 1 OR . 1 1 23 23 ARG H H . . . 1 1 22 22 ARG HB2 H . . . . . 3.5 1.8 4.5 . . . . . A . 24 ARG H . . A . 23 ARG HB2 . a . 24 . HN . . . a . 23 . HB* . . rr_1a93 1
41 2 OR . 1 1 23 23 ARG H H . . . 1 1 22 22 ARG HB3 H . . . . . 3.5 1.8 4.5 . . . . . A . 24 ARG H . . A . 23 ARG HB3 . a . 24 . HN . . . a . 23 . HB* . . rr_1a93 1
42 1 . . 1 1 24 24 GLU H H . . . 1 1 23 23 ARG HB3 H . . . . . 3.5 1.8 4.5 . . . . . A . 25 GLU H . . A . 24 ARG HB3 . a . 25 . HN . . . a . 24 . HB1 . . rr_1a93 1
43 1 . . 1 1 24 24 GLU H H . . . 1 1 23 23 ARG HB2 H . . . . . 3.5 1.8 4.5 . . . . . A . 25 GLU H . . A . 24 ARG HB2 . a . 25 . HN . . . a . 24 . HB2 . . rr_1a93 1
44 1 OR . 1 1 25 25 GLN H H . . . 1 1 24 24 GLU HB2 H . . . . . 3.5 1.8 4.5 . . . . . A . 26 GLN H . . A . 25 GLU HB2 . a . 26 . HN . . . a . 25 . HB* . . rr_1a93 1
44 2 OR . 1 1 25 25 GLN H H . . . 1 1 24 24 GLU HB3 H . . . . . 3.5 1.8 4.5 . . . . . A . 26 GLN H . . A . 25 GLU HB3 . a . 26 . HN . . . a . 25 . HB* . . rr_1a93 1
45 1 . . 1 1 27 27 LYS H H . . . 1 1 26 26 LEU HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 28 LYS H . . A . 27 LEU HB3 . a . 28 . HN . . . a . 27 . HB1 . . rr_1a93 1
46 1 . . 1 1 27 27 LYS H H . . . 1 1 26 26 LEU HB2 H . . . . . 3.5 1.8 4.0 . . . . . A . 28 LYS H . . A . 27 LEU HB2 . a . 28 . HN . . . a . 27 . HB2 . . rr_1a93 1
47 1 OR . 1 1 29 29 LYS H H . . . 1 1 28 28 HIS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 30 LYS H . . A . 29 HIS HB3 . a . 30 . HN . . . a . 29 . HB* . . rr_1a93 1
47 2 OR . 1 1 29 29 LYS H H . . . 1 1 28 28 HIS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 30 LYS H . . A . 29 HIS HB2 . a . 30 . HN . . . a . 29 . HB* . . rr_1a93 1
48 1 . . 1 1 31 31 GLU H H . . . 1 1 30 30 LEU HB2 H . . . . . 3.0 1.3 3.5 . . . . . A . 32 GLU H . . A . 31 LEU HB2 . a . 32 . HN . . . a . 31 . HB2 . . rr_1a93 1
49 1 OR . 1 1 33 33 LEU H H . . . 1 1 32 32 GLN HB2 H . . . . . 3.5 1.8 4.5 . . . . . A . 34 LEU H . . A . 33 GLN HB2 . a . 34 . HN . . . a . 33 . HB* . . rr_1a93 1
49 2 OR . 1 1 33 33 LEU H H . . . 1 1 32 32 GLN HB3 H . . . . . 3.5 1.8 4.5 . . . . . A . 34 LEU H . . A . 33 GLN HB3 . a . 34 . HN . . . a . 33 . HB* . . rr_1a93 1
50 1 . . 2 2 9 9 ASN HA H . . . 2 2 10 10 ASP H H . . . . . 3.5 1.8 4.0 . . . . . B . 10 ASN HA . . B . 11 ASP H . b . 10 . HA . . . b . 11 . HN . . rr_1a93 1
51 1 . . 2 2 10 10 ASP HA H . . . 2 2 11 11 THR H H . . . . . 3.5 1.8 4.0 . . . . . B . 11 ASP HA . . B . 12 THR H . b . 11 . HA . . . b . 12 . HN . . rr_1a93 1
52 1 . . 2 2 11 11 THR HA H . . . 2 2 12 12 HIS H H . . . . . 3.5 1.8 4.0 . . . . . B . 12 THR HA . . B . 13 HIS H . b . 12 . HA . . . b . 13 . HN . . rr_1a93 1
53 1 . . 2 2 12 12 HIS HA H . . . 2 2 13 13 GLN H H . . . . . 3.5 1.8 3.5 . . . . . B . 13 HIS HA . . B . 14 GLN H . b . 13 . HA . . . b . 14 . HN . . rr_1a93 1
54 1 . . 2 2 16 16 ILE HA H . . . 2 2 17 17 ASP H H . . . . . 3.5 1.8 4.0 . . . . . B . 17 ILE HA . . B . 18 ASP H . b . 17 . HA . . . b . 18 . HN . . rr_1a93 1
55 1 . . 2 2 17 17 ASP HA H . . . 2 2 18 18 ASP H H . . . . . 3.5 1.8 4.0 . . . . . B . 18 ASP HA . . B . 19 ASP H . b . 18 . HA . . . b . 19 . HN . . rr_1a93 1
56 1 . . 2 2 18 18 ASP HA H . . . 2 2 19 19 LEU H H . . . . . 3.5 1.8 4.0 . . . . . B . 19 ASP HA . . B . 20 LEU H . b . 19 . HA . . . b . 20 . HN . . rr_1a93 1
57 1 . . 2 2 20 20 LYS HA H . . . 2 2 21 21 ARG H H . . . . . 3.5 1.8 4.0 . . . . . B . 21 LYS HA . . B . 22 ARG H . b . 21 . HA . . . b . 22 . HN . . rr_1a93 1
58 1 . . 2 2 22 22 GLN HA H . . . 2 2 23 23 ASN H H . . . . . 3.5 1.8 4.0 . . . . . B . 23 GLN HA . . B . 24 ASN H . b . 23 . HA . . . b . 24 . HN . . rr_1a93 1
59 1 . . 2 2 23 23 ASN HA H . . . 2 2 24 24 ALA H H . . . . . 3.5 1.8 4.0 . . . . . B . 24 ASN HA . . B . 25 ALA H . b . 24 . HA . . . b . 25 . HN . . rr_1a93 1
60 1 . . 2 2 24 24 ALA HA H . . . 2 2 25 25 LEU H H . . . . . 3.5 1.8 4.0 . . . . . B . 25 ALA HA . . B . 26 LEU H . b . 25 . HA . . . b . 26 . HN . . rr_1a93 1
61 1 . . 2 2 26 26 LEU HA H . . . 2 2 27 27 GLU H H . . . . . 3.5 1.8 4.0 . . . . . B . 27 LEU HA . . B . 28 GLU H . b . 27 . HA . . . b . 28 . HN . . rr_1a93 1
62 1 . . 2 2 27 27 GLU HA H . . . 2 2 28 28 GLN H H . . . . . 3.5 1.8 4.0 . . . . . B . 28 GLU HA . . B . 29 GLN H . b . 28 . HA . . . b . 29 . HN . . rr_1a93 1
63 1 . . 2 2 28 28 GLN HA H . . . 2 2 29 29 GLN H H . . . . . 3.5 1.8 4.0 . . . . . B . 29 GLN HA . . B . 30 GLN H . b . 29 . HA . . . b . 30 . HN . . rr_1a93 1
64 1 . . 2 2 29 29 GLN HA H . . . 2 2 30 30 VAL H H . . . . . 3.5 1.8 4.0 . . . . . B . 30 GLN HA . . B . 31 VAL H . b . 30 . HA . . . b . 31 . HN . . rr_1a93 1
65 1 . . 2 2 30 30 VAL HA H . . . 2 2 31 31 ARG H H . . . . . 3.5 1.8 4.0 . . . . . B . 31 VAL HA . . B . 32 ARG H . b . 31 . HA . . . b . 32 . HN . . rr_1a93 1
66 1 . . 2 2 31 31 ARG HA H . . . 2 2 32 32 ALA H H . . . . . 3.5 1.8 4.0 . . . . . B . 32 ARG HA . . B . 33 ALA H . b . 32 . HA . . . b . 33 . HN . . rr_1a93 1
67 1 . . 2 2 10 10 ASP H H . . . 2 2 11 11 THR H H . . . . . 2.5 1.8 3.0 . . . . . B . 11 ASP H . . B . 12 THR H . b . 11 . HN . . . b . 12 . HN . . rr_1a93 1
68 1 . . 2 2 11 11 THR H H . . . 2 2 12 12 HIS H H . . . . . 3.0 1.8 3.5 . . . . . B . 12 THR H . . B . 13 HIS H . b . 12 . HN . . . b . 13 . HN . . rr_1a93 1
69 1 . . 2 2 12 12 HIS H H . . . 2 2 13 13 GLN H H . . . . . 3.0 1.8 3.5 . . . . . B . 13 HIS H . . B . 14 GLN H . b . 13 . HN . . . b . 14 . HN . . rr_1a93 1
70 1 . . 2 2 13 13 GLN H H . . . 2 2 14 14 GLN H H . . . . . 3.0 1.8 3.5 . . . . . B . 14 GLN H . . B . 15 GLN H . b . 14 . HN . . . b . 15 . HN . . rr_1a93 1
71 1 . . 2 2 15 15 ASP H H . . . 2 2 16 16 ILE H H . . . . . 3.0 1.8 3.5 . . . . . B . 16 ASP H . . B . 17 ILE H . b . 16 . HN . . . b . 17 . HN . . rr_1a93 1
72 1 . . 2 2 17 17 ASP H H . . . 2 2 18 18 ASP H H . . . . . 2.5 1.8 3.0 . . . . . B . 18 ASP H . . B . 19 ASP H . b . 18 . HN . . . b . 19 . HN . . rr_1a93 1
73 1 . . 2 2 18 18 ASP H H . . . 2 2 19 19 LEU H H . . . . . 2.5 1.8 3.0 . . . . . B . 19 ASP H . . B . 20 LEU H . b . 19 . HN . . . b . 20 . HN . . rr_1a93 1
74 1 . . 2 2 19 19 LEU H H . . . 2 2 20 20 LYS H H . . . . . 3.0 1.8 3.5 . . . . . B . 20 LEU H . . B . 21 LYS H . b . 20 . HN . . . b . 21 . HN . . rr_1a93 1
75 1 . . 2 2 21 21 ARG H H . . . 2 2 20 20 LYS H H . . . . . 2.5 1.8 3.0 . . . . . B . 22 ARG H . . B . 21 LYS H . b . 22 . HN . . . b . 21 . HN . . rr_1a93 1
76 1 . . 2 2 21 21 ARG H H . . . 2 2 22 22 GLN H H . . . . . 2.5 1.8 3.0 . . . . . B . 22 ARG H . . B . 23 GLN H . b . 22 . HN . . . b . 23 . HN . . rr_1a93 1
77 1 . . 2 2 23 23 ASN H H . . . 2 2 22 22 GLN H H . . . . . 2.5 1.8 3.0 . . . . . B . 24 ASN H . . B . 23 GLN H . b . 24 . HN . . . b . 23 . HN . . rr_1a93 1
78 1 . . 2 2 23 23 ASN H H . . . 2 2 24 24 ALA H H . . . . . 2.5 1.8 3.0 . . . . . B . 24 ASN H . . B . 25 ALA H . b . 24 . HN . . . b . 25 . HN . . rr_1a93 1
79 1 . . 2 2 24 24 ALA H H . . . 2 2 25 25 LEU H H . . . . . 2.5 1.8 3.0 . . . . . B . 25 ALA H . . B . 26 LEU H . b . 25 . HN . . . b . 26 . HN . . rr_1a93 1
80 1 . . 2 2 25 25 LEU H H . . . 2 2 26 26 LEU H H . . . . . 2.5 1.8 3.0 . . . . . B . 26 LEU H . . B . 27 LEU H . b . 26 . HN . . . b . 27 . HN . . rr_1a93 1
81 1 . . 2 2 27 27 GLU H H . . . 2 2 26 26 LEU H H . . . . . 2.5 1.8 3.0 . . . . . B . 28 GLU H . . B . 27 LEU H . b . 28 . HN . . . b . 27 . HN . . rr_1a93 1
82 1 . . 2 2 27 27 GLU H H . . . 2 2 28 28 GLN H H . . . . . 2.5 1.8 3.0 . . . . . B . 28 GLU H . . B . 29 GLN H . b . 28 . HN . . . b . 29 . HN . . rr_1a93 1
83 1 . . 2 2 28 28 GLN H H . . . 2 2 29 29 GLN H H . . . . . 2.5 1.8 3.0 . . . . . B . 29 GLN H . . B . 30 GLN H . b . 29 . HN . . . b . 30 . HN . . rr_1a93 1
84 1 . . 2 2 29 29 GLN H H . . . 2 2 30 30 VAL H H . . . . . 2.5 1.8 3.0 . . . . . B . 30 GLN H . . B . 31 VAL H . b . 30 . HN . . . b . 31 . HN . . rr_1a93 1
85 1 . . 2 2 30 30 VAL H H . . . 2 2 31 31 ARG H H . . . . . 2.5 1.8 3.0 . . . . . B . 31 VAL H . . B . 32 ARG H . b . 31 . HN . . . b . 32 . HN . . rr_1a93 1
86 1 . . 2 2 31 31 ARG H H . . . 2 2 32 32 ALA H H . . . . . 2.5 1.8 3.0 . . . . . B . 32 ARG H . . B . 33 ALA H . b . 32 . HN . . . b . 33 . HN . . rr_1a93 1
87 1 . . 2 2 32 32 ALA H H . . . 2 2 33 33 LEU H H . . . . . 2.5 1.8 3.0 . . . . . B . 33 ALA H . . B . 34 LEU H . b . 33 . HN . . . b . 34 . HN . . rr_1a93 1
88 1 . . 2 2 10 10 ASP H H . . . 2 2 9 9 ASN HB2 H . . . . . 3.5 1.8 4.0 . . . . . B . 11 ASP H . . B . 10 ASN HB2 . b . 11 . HN . . . b . 10 . HB2 . . rr_1a93 1
89 1 . . 2 2 11 11 THR H H . . . 2 2 10 10 ASP HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 12 THR H . . B . 11 ASP HB3 . b . 12 . HN . . . b . 11 . HB1 . . rr_1a93 1
90 1 . . 2 2 11 11 THR H H . . . 2 2 10 10 ASP HB2 H . . . . . 4.0 1.8 4.5 . . . . . B . 12 THR H . . B . 11 ASP HB2 . b . 12 . HN . . . b . 11 . HB2 . . rr_1a93 1
91 1 . . 2 2 12 12 HIS H H . . . 2 2 11 11 THR HB H . . . . . 3.5 1.8 4.0 . . . . . B . 13 HIS H . . B . 12 THR HB . b . 13 . HN . . . b . 12 . HB . . rr_1a93 1
92 1 . . 2 2 13 13 GLN H H . . . 2 2 12 12 HIS HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 14 GLN H . . B . 13 HIS HB3 . b . 14 . HN . . . b . 13 . HB1 . . rr_1a93 1
93 1 . . 2 2 13 13 GLN H H . . . 2 2 12 12 HIS HB2 H . . . . . 4.0 1.8 4.5 . . . . . B . 14 GLN H . . B . 13 HIS HB2 . b . 14 . HN . . . b . 13 . HB2 . . rr_1a93 1
94 1 OR . 2 2 14 14 GLN H H . . . 2 2 13 13 GLN HB2 H . . . . . 3.5 1.3 5.0 . . . . . B . 15 GLN H . . B . 14 GLN HB2 . b . 15 . HN . . . b . 14 . HB* . . rr_1a93 1
94 2 OR . 2 2 14 14 GLN H H . . . 2 2 13 13 GLN HB3 H . . . . . 3.5 1.3 5.0 . . . . . B . 15 GLN H . . B . 14 GLN HB3 . b . 15 . HN . . . b . 14 . HB* . . rr_1a93 1
95 1 . . 2 2 16 16 ILE H H . . . 2 2 15 15 ASP HB3 H . . . . . 3.5 1.8 4.0 . . . . . B . 17 ILE H . . B . 16 ASP HB3 . b . 17 . HN . . . b . 16 . HB1 . . rr_1a93 1
96 1 . . 2 2 16 16 ILE H H . . . 2 2 15 15 ASP HB2 H . . . . . 3.5 1.8 4.0 . . . . . B . 17 ILE H . . B . 16 ASP HB2 . b . 17 . HN . . . b . 16 . HB2 . . rr_1a93 1
97 1 . . 2 2 17 17 ASP H H . . . 2 2 16 16 ILE HB H . . . . . 3.5 1.8 4.0 . . . . . B . 18 ASP H . . B . 17 ILE HB . b . 18 . HN . . . b . 17 . HB . . rr_1a93 1
98 1 OR . 2 2 18 18 ASP H H . . . 2 2 17 17 ASP HB3 H . . . . . 4.0 1.8 5.5 . . . . . B . 19 ASP H . . B . 18 ASP HB3 . b . 19 . HN . . . b . 18 . HB* . . rr_1a93 1
98 2 OR . 2 2 18 18 ASP H H . . . 2 2 17 17 ASP HB2 H . . . . . 4.0 1.8 5.5 . . . . . B . 19 ASP H . . B . 18 ASP HB2 . b . 19 . HN . . . b . 18 . HB* . . rr_1a93 1
99 1 . . 2 2 19 19 LEU H H . . . 2 2 18 18 ASP HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 20 LEU H . . B . 19 ASP HB3 . b . 20 . HN . . . b . 19 . HB1 . . rr_1a93 1
100 1 . . 2 2 19 19 LEU H H . . . 2 2 18 18 ASP HB2 H . . . . . 4.0 1.8 4.5 . . . . . B . 20 LEU H . . B . 19 ASP HB2 . b . 20 . HN . . . b . 19 . HB2 . . rr_1a93 1
101 1 . . 2 2 20 20 LYS H H . . . 2 2 19 19 LEU HB3 H . . . . . 3.5 1.8 4.0 . . . . . B . 21 LYS H . . B . 20 LEU HB3 . b . 21 . HN . . . b . 20 . HB1 . . rr_1a93 1
102 1 . . 2 2 20 20 LYS H H . . . 2 2 19 19 LEU HB2 H . . . . . 3.5 1.8 4.0 . . . . . B . 21 LYS H . . B . 20 LEU HB2 . b . 21 . HN . . . b . 20 . HB2 . . rr_1a93 1
103 1 OR . 2 2 21 21 ARG H H . . . 2 2 20 20 LYS HB2 H . . . . . 3.5 1.8 5.0 . . . . . B . 22 ARG H . . B . 21 LYS HB2 . b . 22 . HN . . . b . 21 . HB* . . rr_1a93 1
103 2 OR . 2 2 21 21 ARG H H . . . 2 2 20 20 LYS HB3 H . . . . . 3.5 1.8 5.0 . . . . . B . 22 ARG H . . B . 21 LYS HB3 . b . 22 . HN . . . b . 21 . HB* . . rr_1a93 1
104 1 OR . 2 2 22 22 GLN H H . . . 2 2 21 21 ARG HB2 H . . . . . 3.5 1.8 4.0 . . . . . B . 23 GLN H . . B . 22 ARG HB2 . b . 23 . HN . . . b . 22 . HB* . . rr_1a93 1
104 2 OR . 2 2 22 22 GLN H H . . . 2 2 21 21 ARG HB3 H . . . . . 3.5 1.8 4.0 . . . . . B . 23 GLN H . . B . 22 ARG HB3 . b . 23 . HN . . . b . 22 . HB* . . rr_1a93 1
105 1 OR . 2 2 23 23 ASN H H . . . 2 2 22 22 GLN HB2 H . . . . . 3.5 1.8 5.0 . . . . . B . 24 ASN H . . B . 23 GLN HB2 . b . 24 . HN . . . b . 23 . HB* . . rr_1a93 1
105 2 OR . 2 2 23 23 ASN H H . . . 2 2 22 22 GLN HB3 H . . . . . 3.5 1.8 5.0 . . . . . B . 24 ASN H . . B . 23 GLN HB3 . b . 24 . HN . . . b . 23 . HB* . . rr_1a93 1
106 1 . . 2 2 24 24 ALA H H . . . 2 2 23 23 ASN HB3 H . . . . . 3.5 1.8 4.0 . . . . . B . 25 ALA H . . B . 24 ASN HB3 . b . 25 . HN . . . b . 24 . HB1 . . rr_1a93 1
107 1 . . 2 2 24 24 ALA H H . . . 2 2 23 23 ASN HB2 H . . . . . 3.5 1.8 4.0 . . . . . B . 25 ALA H . . B . 24 ASN HB2 . b . 25 . HN . . . b . 24 . HB2 . . rr_1a93 1
108 1 . . 2 2 25 25 LEU H H . . . 2 2 24 24 ALA MB H . . . . . 3.5 1.8 4.5 . . . . . B . 26 LEU H . . B . 25 ALA MB . b . 26 . HN . . . b . 25 . HB* . . rr_1a93 1
109 1 OR . 2 2 26 26 LEU H H . . . 2 2 25 25 LEU HB2 H . . . . . 3.5 2.5 4.5 . . . . . B . 27 LEU H . . B . 26 LEU HB2 . b . 27 . HN . . . b . 26 . HB* . . rr_1a93 1
109 2 OR . 2 2 26 26 LEU H H . . . 2 2 25 25 LEU HB3 H . . . . . 3.5 2.5 4.5 . . . . . B . 27 LEU H . . B . 26 LEU HB3 . b . 27 . HN . . . b . 26 . HB* . . rr_1a93 1
110 1 . . 2 2 27 27 GLU H H . . . 2 2 26 26 LEU HB3 H . . . . . 3.5 1.8 4.0 . . . . . B . 28 GLU H . . B . 27 LEU HB3 . b . 28 . HN . . . b . 27 . HB1 . . rr_1a93 1
111 1 . . 2 2 27 27 GLU H H . . . 2 2 26 26 LEU HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 28 GLU H . . B . 27 LEU HB2 . b . 28 . HN . . . b . 27 . HB2 . . rr_1a93 1
112 1 . . 2 2 28 28 GLN H H . . . 2 2 27 27 GLU HB3 H . . . . . 3.5 1.8 4.0 . . . . . B . 29 GLN H . . B . 28 GLU HB3 . b . 29 . HN . . . b . 28 . HB1 . . rr_1a93 1
113 1 . . 2 2 28 28 GLN H H . . . 2 2 27 27 GLU HB2 H . . . . . 3.5 1.8 4.0 . . . . . B . 29 GLN H . . B . 28 GLU HB2 . b . 29 . HN . . . b . 28 . HB2 . . rr_1a93 1
114 1 OR . 2 2 30 30 VAL H H . . . 2 2 29 29 GLN HB2 H . . . . . 3.5 1.8 5.0 . . . . . B . 31 VAL H . . B . 30 GLN HB2 . b . 31 . HN . . . b . 30 . HB* . . rr_1a93 1
114 2 OR . 2 2 30 30 VAL H H . . . 2 2 29 29 GLN HB3 H . . . . . 3.5 1.8 5.0 . . . . . B . 31 VAL H . . B . 30 GLN HB3 . b . 31 . HN . . . b . 30 . HB* . . rr_1a93 1
115 1 . . 2 2 31 31 ARG H H . . . 2 2 30 30 VAL HB H . . . . . 3.5 1.8 4.0 . . . . . B . 32 ARG H . . B . 31 VAL HB . b . 32 . HN . . . b . 31 . HB . . rr_1a93 1
116 1 . . 2 2 33 33 LEU H H . . . 2 2 32 32 ALA MB H . . . . . 3.5 1.8 4.5 . . . . . B . 34 LEU H . . B . 33 ALA MB . b . 34 . HN . . . b . 33 . HB* . . rr_1a93 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
;a.1.1 short range interresidue (|i - j| <= 5) NOEs: intramonomer a
CaH(i)-NH(i+1) (includes Noes to CdH and CaH of Pro)
;
1 1 3 54 rr_1a93 1
2 "NH(i)-NH(i+1) NOEs (includes NOEs to Pro CdH)" 17 1 17 47 rr_1a93 1
3 CbH(i)-NH(i+1) 35 1 35 16 rr_1a93 1
4
;a.1.2 short range interresidue (|i - j| <= 5) NOES: intramonomer segid b
CaH(i)-NH(i+1) (includes Noes to CdH and CaH of Pro)
;
61 1 63 54 rr_1a93 1
5 "NH(i)-NH(i+1) NOEs (includes NOEs to Pro CdH)" 82 1 82 47 rr_1a93 1
6 CbH(i)-NH(i+1) 106 1 106 16 rr_1a93 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_1a93
_Gen_dist_constraint_list.ID 2
_Gen_dist_constraint_list.Constraint_type NOE
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 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_1a93 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 9 9 GLU H H . . . 1 1 6 6 GLN HA H . . . . . 4.0 1.8 4.5 . . . . . A . 10 GLU H . . A . 7 GLN HA . a . 10 . HN . . . a . 7 . HA . . rr_1a93 2
2 1 . . 1 1 7 7 ALA HA H . . . 1 1 10 10 GLN H H . . . . . 4.0 1.8 4.5 . . . . . A . 8 ALA HA . . A . 11 GLN H . a . 8 . HA . . . a . 11 . HN . . rr_1a93 2
3 1 . . 1 1 9 9 GLU HA H . . . 1 1 12 12 LEU H H . . . . . 4.0 1.8 4.5 . . . . . A . 10 GLU HA . . A . 13 LEU H . a . 10 . HA . . . a . 13 . HN . . rr_1a93 2
4 1 . . 1 1 14 14 SER H H . . . 1 1 11 11 LYS HA H . . . . . 4.0 1.8 4.5 . . . . . A . 15 SER H . . A . 12 LYS HA . a . 15 . HN . . . a . 12 . HA . . rr_1a93 2
5 1 . . 1 1 13 13 ILE HA H . . . 1 1 16 16 GLU H H . . . . . 4.0 1.8 4.5 . . . . . A . 14 ILE HA . . A . 17 GLU H . a . 14 . HA . . . a . 17 . HN . . rr_1a93 2
6 1 . . 1 1 14 14 SER HA H . . . 1 1 17 17 ASP H H . . . . . 4.0 1.8 4.5 . . . . . A . 15 SER HA . . A . 18 ASP H . a . 15 . HA . . . a . 18 . HN . . rr_1a93 2
7 1 . . 1 1 17 17 ASP HA H . . . 1 1 20 20 ARG H H . . . . . 4.0 1.8 4.5 . . . . . A . 18 ASP HA . . A . 21 ARG H . a . 18 . HA . . . a . 21 . HN . . rr_1a93 2
8 1 . . 1 1 19 19 LEU HA H . . . 1 1 22 22 ARG H H . . . . . 4.0 1.8 4.5 . . . . . A . 20 LEU HA . . A . 23 ARG H . a . 20 . HA . . . a . 23 . HN . . rr_1a93 2
9 1 . . 1 1 26 26 LEU H H . . . 1 1 23 23 ARG HA H . . . . . 4.0 1.8 4.5 . . . . . A . 27 LEU H . . A . 24 ARG HA . a . 27 . HN . . . a . 24 . HA . . rr_1a93 2
10 1 . . 1 1 27 27 LYS H H . . . 1 1 24 24 GLU HA H . . . . . 4.0 1.8 4.5 . . . . . A . 28 LYS H . . A . 25 GLU HA . a . 28 . HN . . . a . 25 . HA . . rr_1a93 2
11 1 . . 1 1 25 25 GLN HA H . . . 1 1 28 28 HIS H H . . . . . 4.0 1.8 4.5 . . . . . A . 26 GLN HA . . A . 29 HIS H . a . 26 . HA . . . a . 29 . HN . . rr_1a93 2
12 1 . . 1 1 28 28 HIS HA H . . . 1 1 31 31 GLU H H . . . . . 4.0 1.8 4.5 . . . . . A . 29 HIS HA . . A . 32 GLU H . a . 29 . HA . . . a . 32 . HN . . rr_1a93 2
13 1 . . 1 1 5 5 VAL HA H . . . 1 1 9 9 GLU H H . . . . . 4.0 1.8 4.5 . . . . . A . 6 VAL HA . . A . 10 GLU H . a . 6 . HA . . . a . 10 . HN . . rr_1a93 2
14 1 . . 1 1 13 13 ILE H H . . . 1 1 9 9 GLU HA H . . . . . 4.0 1.8 4.5 . . . . . A . 14 ILE H . . A . 10 GLU HA . a . 14 . HN . . . a . 10 . HA . . rr_1a93 2
15 1 . . 1 1 16 16 GLU H H . . . 1 1 12 12 LEU HA H . . . . . 4.0 1.8 4.5 . . . . . A . 17 GLU H . . A . 13 LEU HA . a . 17 . HN . . . a . 13 . HA . . rr_1a93 2
16 1 . . 1 1 13 13 ILE HA H . . . 1 1 17 17 ASP H H . . . . . 4.0 1.8 4.5 . . . . . A . 14 ILE HA . . A . 18 ASP H . a . 14 . HA . . . a . 18 . HN . . rr_1a93 2
17 1 . . 1 1 28 28 HIS HA H . . . 1 1 32 32 GLN H H . . . . . 4.0 1.8 4.5 . . . . . A . 29 HIS HA . . A . 33 GLN H . a . 29 . HA . . . a . 33 . HN . . rr_1a93 2
18 1 OR . 1 1 5 5 VAL HA H . . . 1 1 8 8 GLU HB2 H . . . . . 4.0 1.8 5.5 . . . . . A . 6 VAL HA . . A . 9 GLU HB2 . a . 6 . HA . . . a . 9 . HB* . . rr_1a93 2
18 2 OR . 1 1 5 5 VAL HA H . . . 1 1 8 8 GLU HB3 H . . . . . 4.0 1.8 5.5 . . . . . A . 6 VAL HA . . A . 9 GLU HB3 . a . 6 . HA . . . a . 9 . HB* . . rr_1a93 2
19 1 . . 1 1 9 9 GLU HB3 H . . . 1 1 6 6 GLN HA H . . . . . 4.0 1.8 4.5 . . . . . A . 10 GLU HB3 . . A . 7 GLN HA . a . 10 . HB1 . . . a . 7 . HA . . rr_1a93 2
20 1 . . 1 1 6 6 GLN HA H . . . 1 1 9 9 GLU HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 7 GLN HA . . A . 10 GLU HB2 . a . 7 . HA . . . a . 10 . HB2 . . rr_1a93 2
21 1 . . 1 1 13 13 ILE HB H . . . 1 1 10 10 GLN HA H . . . . . 4.0 3.0 4.5 . . . . . A . 14 ILE HB . . A . 11 GLN HA . a . 14 . HB . . . a . 11 . HA . . rr_1a93 2
22 1 OR . 1 1 14 14 SER HB3 H . . . 1 1 11 11 LYS HA H . . . . . 2.8 1.8 3.3 . . . . . A . 15 SER HB3 . . A . 12 LYS HA . a . 15 . HB . . . a . 12 . HA . . rr_1a93 2
22 2 OR . 1 1 11 11 LYS HA H . . . 1 1 14 14 SER HB2 H . . . . . 2.8 1.8 3.3 . . . . . A . 12 LYS HA . . A . 15 SER HB2 . a . 12 . HA . . . a . 15 . HB . . rr_1a93 2
23 1 OR . 1 1 13 13 ILE HA H . . . 1 1 16 16 GLU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 14 ILE HA . . A . 17 GLU HB2 . a . 14 . HA . . . a . 17 . HB* . . rr_1a93 2
23 2 OR . 1 1 13 13 ILE HA H . . . 1 1 16 16 GLU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 14 ILE HA . . A . 17 GLU HB3 . a . 14 . HA . . . a . 17 . HB* . . rr_1a93 2
24 1 . . 1 1 14 14 SER HA H . . . 1 1 17 17 ASP HB3 H . . . . . 2.8 1.8 3.3 . . . . . A . 15 SER HA . . A . 18 ASP HB3 . a . 15 . HA . . . a . 18 . HB1 . . rr_1a93 2
25 1 . . 1 1 14 14 SER HA H . . . 1 1 17 17 ASP HB2 H . . . . . 2.8 1.8 3.3 . . . . . A . 15 SER HA . . A . 18 ASP HB2 . a . 15 . HA . . . a . 18 . HB2 . . rr_1a93 2
26 1 . . 1 1 17 17 ASP HA H . . . 1 1 20 20 ARG HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 18 ASP HA . . A . 21 ARG HB3 . a . 18 . HA . . . a . 21 . HB1 . . rr_1a93 2
27 1 . . 1 1 17 17 ASP HA H . . . 1 1 20 20 ARG HB2 H . . . . . 4.0 1.8 4.5 . . . . . A . 18 ASP HA . . A . 21 ARG HB2 . a . 18 . HA . . . a . 21 . HB2 . . rr_1a93 2
28 1 OR . 1 1 22 22 ARG HA H . . . 1 1 25 25 GLN HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 23 ARG HA . . A . 26 GLN HB2 . a . 23 . HA . . . a . 26 . HB* . . rr_1a93 2
28 2 OR . 1 1 22 22 ARG HA H . . . 1 1 25 25 GLN HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 23 ARG HA . . A . 26 GLN HB3 . a . 23 . HA . . . a . 26 . HB* . . rr_1a93 2
29 1 OR . 1 1 25 25 GLN HA H . . . 1 1 28 28 HIS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 26 GLN HA . . A . 29 HIS HB3 . a . 26 . HA . . . a . 29 . HB* . . rr_1a93 2
29 2 OR . 1 1 25 25 GLN HA H . . . 1 1 28 28 HIS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 26 GLN HA . . A . 29 HIS HB2 . a . 26 . HA . . . a . 29 . HB* . . rr_1a93 2
30 1 OR . 1 1 28 28 HIS HA H . . . 1 1 31 31 GLU HB2 H . . . . . 4.0 1.8 5.0 . . . . . A . 29 HIS HA . . A . 32 GLU HB2 . a . 29 . HA . . . a . 32 . HB* . . rr_1a93 2
30 2 OR . 1 1 28 28 HIS HA H . . . 1 1 31 31 GLU HB3 H . . . . . 4.0 1.8 5.0 . . . . . A . 29 HIS HA . . A . 32 GLU HB3 . a . 29 . HA . . . a . 32 . HB* . . rr_1a93 2
31 1 OR . 1 1 17 17 ASP HA H . . . 1 1 20 20 ARG HD2 H . . . . . 2.8 1.8 4.3 . . . . . A . 18 ASP HA . . A . 21 ARG HD2 . a . 18 . HA . . . a . 21 . HD* . . rr_1a93 2
31 2 OR . 1 1 17 17 ASP HA H . . . 1 1 20 20 ARG HD3 H . . . . . 2.8 1.8 4.3 . . . . . A . 18 ASP HA . . A . 21 ARG HD3 . a . 18 . HA . . . a . 21 . HD* . . rr_1a93 2
32 1 . . 1 1 17 17 ASP HA H . . . 1 1 20 20 ARG HG3 H . . . . . 4.0 1.8 4.5 . . . . . A . 18 ASP HA . . A . 21 ARG HG3 . a . 18 . HA . . . a . 21 . HG1 . . rr_1a93 2
33 1 . . 1 1 17 17 ASP HA H . . . 1 1 20 20 ARG HG2 H . . . . . 4.0 1.8 4.5 . . . . . A . 18 ASP HA . . A . 21 ARG HG2 . a . 18 . HA . . . a . 21 . HG2 . . rr_1a93 2
34 1 . . 1 1 17 17 ASP HA H . . . 1 1 20 20 ARG HE H . . . . . 4.0 1.8 4.5 . . . . . A . 18 ASP HA . . A . 21 ARG HE . a . 18 . HA . . . a . 21 . HE . . rr_1a93 2
35 1 . . 1 1 10 10 GLN HA H . . . 1 1 13 13 ILE MD H . . . . . 3.5 1.8 4.5 . . . . . A . 11 GLN HA . . A . 14 ILE MD . a . 11 . HA . . . a . 14 . HD1* . . rr_1a93 2
36 1 . . 1 1 14 14 SER HA H . . . 1 1 13 13 ILE MG H . . . . . 3.5 1.8 4.5 . . . . . A . 15 SER HA . . A . 14 ILE MG . a . 15 . HA . . . a . 14 . HG2* . . rr_1a93 2
37 1 . . 1 1 14 14 SER H H . . . 1 1 13 13 ILE MG H . . . . . 3.5 1.8 4.5 . . . . . A . 15 SER H . . A . 14 ILE MG . a . 15 . HN . . . a . 14 . HG2* . . rr_1a93 2
38 1 OR . 1 1 14 14 SER H H . . . 1 1 13 13 ILE HG12 H . . . . . 3.5 1.8 4.5 . . . . . A . 15 SER H . . A . 14 ILE HG12 . a . 15 . HN . . . a . 14 . HG1* . . rr_1a93 2
38 2 OR . 1 1 14 14 SER H H . . . 1 1 13 13 ILE HG13 H . . . . . 3.5 1.8 4.5 . . . . . A . 15 SER H . . A . 14 ILE HG13 . a . 15 . HN . . . a . 14 . HG1* . . rr_1a93 2
39 1 . . 1 1 14 14 SER H H . . . 1 1 13 13 ILE MD H . . . . . 4.5 1.8 5.5 . . . . . A . 15 SER H . . A . 14 ILE MD . a . 15 . HN . . . a . 14 . HD1* . . rr_1a93 2
40 1 OR . 1 1 13 13 ILE MD H . . . 1 1 9 9 GLU HG2 H . . . . . 3.5 1.8 5.0 . . . . . A . 14 ILE MD . . A . 10 GLU HG2 . a . 14 . HD1* . . . a . 10 . HG* . . rr_1a93 2
40 2 OR . 1 1 13 13 ILE MD H . . . 1 1 9 9 GLU HG3 H . . . . . 3.5 1.8 5.0 . . . . . A . 14 ILE MD . . A . 10 GLU HG3 . a . 14 . HD1* . . . a . 10 . HG* . . rr_1a93 2
41 1 OR . 1 1 13 13 ILE MD H . . . 1 1 9 9 GLU HB2 H . . . . . 4.5 1.8 6.0 . . . . . A . 14 ILE MD . . A . 10 GLU HB2 . a . 14 . HD1* . . . a . 10 . HB* . . rr_1a93 2
41 2 OR . 1 1 9 9 GLU HB3 H . . . 1 1 13 13 ILE MD H . . . . . 4.5 1.8 6.0 . . . . . A . 10 GLU HB3 . . A . 14 ILE MD . a . 10 . HB* . . . a . 14 . HD1* . . rr_1a93 2
42 1 . . 1 1 22 22 ARG HE H . . . 1 1 26 26 LEU MD1 H . . . . . 4.0 1.8 5.0 . . . . . A . 23 ARG HE . . A . 27 LEU MD1 . a . 23 . HE . . . a . 27 . HD1* . . rr_1a93 2
43 1 . . 1 1 22 22 ARG HE H . . . 1 1 26 26 LEU MD2 H . . . . . 4.0 1.8 5.0 . . . . . A . 23 ARG HE . . A . 27 LEU MD2 . a . 23 . HE . . . a . 27 . HD2* . . rr_1a93 2
44 1 OR . 1 1 26 26 LEU MD1 H . . . 1 1 22 22 ARG HD2 H . . . . . 4.0 1.8 5.5 . . . . . A . 27 LEU MD1 . . A . 23 ARG HD2 . a . 27 . HD1* . . . a . 23 . HD* . . rr_1a93 2
44 2 OR . 1 1 26 26 LEU MD1 H . . . 1 1 22 22 ARG HD3 H . . . . . 4.0 1.8 5.5 . . . . . A . 27 LEU MD1 . . A . 23 ARG HD3 . a . 27 . HD1* . . . a . 23 . HD* . . rr_1a93 2
45 1 . . 1 1 25 25 GLN HA H . . . 1 1 28 28 HIS HD2 H . . . . . 3.5 1.8 4.0 . . . . . A . 26 GLN HA . . A . 29 HIS HD2 . a . 26 . HA . . . a . 29 . HD2 . . rr_1a93 2
46 1 OR . 1 1 28 28 HIS HD2 H . . . 1 1 25 25 GLN HG2 H . . . . . 4.5 1.8 5.0 . . . . . A . 29 HIS HD2 . . A . 26 GLN HG2 . a . 29 . HD2 . . . a . 26 . HG* . . rr_1a93 2
46 2 OR . 1 1 28 28 HIS HD2 H . . . 1 1 25 25 GLN HG3 H . . . . . 4.5 1.8 5.0 . . . . . A . 29 HIS HD2 . . A . 26 GLN HG3 . a . 29 . HD2 . . . a . 26 . HG* . . rr_1a93 2
47 1 OR . 1 1 28 28 HIS HD2 H . . . 1 1 25 25 GLN HB2 H . . . . . 4.5 1.8 5.0 . . . . . A . 29 HIS HD2 . . A . 26 GLN HB2 . a . 29 . HD2 . . . a . 26 . HB* . . rr_1a93 2
47 2 OR . 1 1 25 25 GLN HB3 H . . . 1 1 28 28 HIS HD2 H . . . . . 4.5 1.8 5.0 . . . . . A . 26 GLN HB3 . . A . 29 HIS HD2 . a . 26 . HB* . . . a . 29 . HD2 . . rr_1a93 2
48 1 . . 2 2 6 6 ARG HA H . . . 2 2 9 9 ASN H H . . . . . 4.0 1.8 4.5 . . . . . B . 7 ARG HA . . B . 10 ASN H . b . 7 . HA . . . b . 10 . HN . . rr_1a93 2
49 1 . . 2 2 10 10 ASP H H . . . 2 2 7 7 ARG HA H . . . . . 4.0 1.8 4.5 . . . . . B . 11 ASP H . . B . 8 ARG HA . b . 11 . HN . . . b . 8 . HA . . rr_1a93 2
50 1 . . 2 2 9 9 ASN HA H . . . 2 2 12 12 HIS H H . . . . . 4.0 1.8 4.5 . . . . . B . 10 ASN HA . . B . 13 HIS H . b . 10 . HA . . . b . 13 . HN . . rr_1a93 2
51 1 . . 2 2 10 10 ASP HA H . . . 2 2 13 13 GLN H H . . . . . 4.0 1.8 4.5 . . . . . B . 11 ASP HA . . B . 14 GLN H . b . 11 . HA . . . b . 14 . HN . . rr_1a93 2
52 1 . . 2 2 12 12 HIS HA H . . . 2 2 15 15 ASP H H . . . . . 4.0 1.8 4.5 . . . . . B . 13 HIS HA . . B . 16 ASP H . b . 13 . HA . . . b . 16 . HN . . rr_1a93 2
53 1 . . 2 2 16 16 ILE H H . . . 2 2 13 13 GLN HA H . . . . . 4.0 1.8 4.5 . . . . . B . 17 ILE H . . B . 14 GLN HA . b . 17 . HN . . . b . 14 . HA . . rr_1a93 2
54 1 . . 2 2 17 17 ASP H H . . . 2 2 14 14 GLN HA H . . . . . 4.0 1.8 4.5 . . . . . B . 18 ASP H . . B . 15 GLN HA . b . 18 . HN . . . b . 15 . HA . . rr_1a93 2
55 1 . . 2 2 18 18 ASP H H . . . 2 2 15 15 ASP HA H . . . . . 4.0 1.8 4.5 . . . . . B . 19 ASP H . . B . 16 ASP HA . b . 19 . HN . . . b . 16 . HA . . rr_1a93 2
56 1 . . 2 2 16 16 ILE HA H . . . 2 2 19 19 LEU H H . . . . . 4.0 1.8 4.5 . . . . . B . 17 ILE HA . . B . 20 LEU H . b . 17 . HA . . . b . 20 . HN . . rr_1a93 2
57 1 . . 2 2 17 17 ASP HA H . . . 2 2 20 20 LYS H H . . . . . 4.0 1.8 4.5 . . . . . B . 18 ASP HA . . B . 21 LYS H . b . 18 . HA . . . b . 21 . HN . . rr_1a93 2
58 1 . . 2 2 18 18 ASP HA H . . . 2 2 21 21 ARG H H . . . . . 4.0 1.8 4.5 . . . . . B . 19 ASP HA . . B . 22 ARG H . b . 19 . HA . . . b . 22 . HN . . rr_1a93 2
59 1 . . 2 2 22 22 GLN H H . . . 2 2 19 19 LEU HA H . . . . . 4.0 1.8 4.5 . . . . . B . 23 GLN H . . B . 20 LEU HA . b . 23 . HN . . . b . 20 . HA . . rr_1a93 2
60 1 . . 2 2 20 20 LYS HA H . . . 2 2 23 23 ASN H H . . . . . 4.0 1.8 4.5 . . . . . B . 21 LYS HA . . B . 24 ASN H . b . 21 . HA . . . b . 24 . HN . . rr_1a93 2
61 1 . . 2 2 24 24 ALA H H . . . 2 2 21 21 ARG HA H . . . . . 4.0 1.8 4.5 . . . . . B . 25 ALA H . . B . 22 ARG HA . b . 25 . HN . . . b . 22 . HA . . rr_1a93 2
62 1 . . 2 2 22 22 GLN HA H . . . 2 2 25 25 LEU H H . . . . . 4.0 1.8 4.5 . . . . . B . 23 GLN HA . . B . 26 LEU H . b . 23 . HA . . . b . 26 . HN . . rr_1a93 2
63 1 . . 2 2 23 23 ASN HA H . . . 2 2 26 26 LEU H H . . . . . 4.0 1.8 4.5 . . . . . B . 24 ASN HA . . B . 27 LEU H . b . 24 . HA . . . b . 27 . HN . . rr_1a93 2
64 1 . . 2 2 24 24 ALA HA H . . . 2 2 27 27 GLU H H . . . . . 4.0 1.8 4.5 . . . . . B . 25 ALA HA . . B . 28 GLU H . b . 25 . HA . . . b . 28 . HN . . rr_1a93 2
65 1 . . 2 2 28 28 GLN H H . . . 2 2 25 25 LEU HA H . . . . . 4.0 1.8 4.5 . . . . . B . 29 GLN H . . B . 26 LEU HA . b . 29 . HN . . . b . 26 . HA . . rr_1a93 2
66 1 . . 2 2 26 26 LEU HA H . . . 2 2 29 29 GLN H H . . . . . 4.0 1.8 4.5 . . . . . B . 27 LEU HA . . B . 30 GLN H . b . 27 . HA . . . b . 30 . HN . . rr_1a93 2
67 1 . . 2 2 27 27 GLU HA H . . . 2 2 30 30 VAL H H . . . . . 4.0 1.8 4.5 . . . . . B . 28 GLU HA . . B . 31 VAL H . b . 28 . HA . . . b . 31 . HN . . rr_1a93 2
68 1 . . 2 2 29 29 GLN HA H . . . 2 2 32 32 ALA H H . . . . . 4.0 1.8 4.5 . . . . . B . 30 GLN HA . . B . 33 ALA H . b . 30 . HA . . . b . 33 . HN . . rr_1a93 2
69 1 . . 2 2 30 30 VAL HA H . . . 2 2 33 33 LEU H H . . . . . 4.0 1.8 4.5 . . . . . B . 31 VAL HA . . B . 34 LEU H . b . 31 . HA . . . b . 34 . HN . . rr_1a93 2
70 1 . . 2 2 9 9 ASN HA H . . . 2 2 13 13 GLN H H . . . . . 4.0 1.8 4.5 . . . . . B . 10 ASN HA . . B . 14 GLN H . b . 10 . HA . . . b . 14 . HN . . rr_1a93 2
71 1 . . 2 2 12 12 HIS HA H . . . 2 2 16 16 ILE H H . . . . . 4.0 1.8 4.5 . . . . . B . 13 HIS HA . . B . 17 ILE H . b . 13 . HA . . . b . 17 . HN . . rr_1a93 2
72 1 . . 2 2 17 17 ASP H H . . . 2 2 13 13 GLN HA H . . . . . 4.0 1.8 4.5 . . . . . B . 18 ASP H . . B . 14 GLN HA . b . 18 . HN . . . b . 14 . HA . . rr_1a93 2
73 1 . . 2 2 16 16 ILE HA H . . . 2 2 20 20 LYS H H . . . . . 4.0 1.8 4.5 . . . . . B . 17 ILE HA . . B . 21 LYS H . b . 17 . HA . . . b . 21 . HN . . rr_1a93 2
74 1 . . 2 2 17 17 ASP HA H . . . 2 2 21 21 ARG H H . . . . . 4.0 1.8 4.5 . . . . . B . 18 ASP HA . . B . 22 ARG H . b . 18 . HA . . . b . 22 . HN . . rr_1a93 2
75 1 . . 2 2 18 18 ASP HA H . . . 2 2 22 22 GLN H H . . . . . 4.0 1.8 4.5 . . . . . B . 19 ASP HA . . B . 23 GLN H . b . 19 . HA . . . b . 23 . HN . . rr_1a93 2
76 1 . . 2 2 23 23 ASN H H . . . 2 2 19 19 LEU HA H . . . . . 4.0 1.8 4.5 . . . . . B . 24 ASN H . . B . 20 LEU HA . b . 24 . HN . . . b . 20 . HA . . rr_1a93 2
77 1 . . 2 2 20 20 LYS HA H . . . 2 2 24 24 ALA H H . . . . . 4.0 1.8 4.5 . . . . . B . 21 LYS HA . . B . 25 ALA H . b . 21 . HA . . . b . 25 . HN . . rr_1a93 2
78 1 . . 2 2 23 23 ASN HA H . . . 2 2 27 27 GLU H H . . . . . 4.0 1.8 4.5 . . . . . B . 24 ASN HA . . B . 28 GLU H . b . 24 . HA . . . b . 28 . HN . . rr_1a93 2
79 1 . . 2 2 29 29 GLN H H . . . 2 2 25 25 LEU HA H . . . . . 4.0 1.8 4.5 . . . . . B . 30 GLN H . . B . 26 LEU HA . b . 30 . HN . . . b . 26 . HA . . rr_1a93 2
80 1 . . 2 2 27 27 GLU HA H . . . 2 2 31 31 ARG H H . . . . . 4.0 1.8 4.5 . . . . . B . 28 GLU HA . . B . 32 ARG H . b . 28 . HA . . . b . 32 . HN . . rr_1a93 2
81 1 . . 2 2 6 6 ARG HA H . . . 2 2 9 9 ASN HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 7 ARG HA . . B . 10 ASN HB3 . b . 7 . HA . . . b . 10 . HB1 . . rr_1a93 2
82 1 . . 2 2 6 6 ARG HA H . . . 2 2 9 9 ASN HB2 H . . . . . 4.0 1.8 4.5 . . . . . B . 7 ARG HA . . B . 10 ASN HB2 . b . 7 . HA . . . b . 10 . HB2 . . rr_1a93 2
83 1 . . 2 2 10 10 ASP HB3 H . . . 2 2 7 7 ARG HA H . . . . . 4.0 1.8 4.5 . . . . . B . 11 ASP HB3 . . B . 8 ARG HA . b . 11 . HB1 . . . b . 8 . HA . . rr_1a93 2
84 1 . . 2 2 10 10 ASP HB2 H . . . 2 2 7 7 ARG HA H . . . . . 4.0 1.8 4.5 . . . . . B . 11 ASP HB2 . . B . 8 ARG HA . b . 11 . HB2 . . . b . 8 . HA . . rr_1a93 2
85 1 . . 2 2 9 9 ASN HA H . . . 2 2 12 12 HIS HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 10 ASN HA . . B . 13 HIS HB3 . b . 10 . HA . . . b . 13 . HB1 . . rr_1a93 2
86 1 . . 2 2 9 9 ASN HA H . . . 2 2 12 12 HIS HB2 H . . . . . 4.0 1.8 4.5 . . . . . B . 10 ASN HA . . B . 13 HIS HB2 . b . 10 . HA . . . b . 13 . HB2 . . rr_1a93 2
87 1 OR . 2 2 10 10 ASP HA H . . . 2 2 13 13 GLN HB2 H . . . . . 4.0 1.8 5.5 . . . . . B . 11 ASP HA . . B . 14 GLN HB2 . b . 11 . HA . . . b . 14 . HB* . . rr_1a93 2
87 2 OR . 2 2 10 10 ASP HA H . . . 2 2 13 13 GLN HB3 H . . . . . 4.0 1.8 5.5 . . . . . B . 11 ASP HA . . B . 14 GLN HB3 . b . 11 . HA . . . b . 14 . HB* . . rr_1a93 2
88 1 . . 2 2 12 12 HIS HA H . . . 2 2 15 15 ASP HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 13 HIS HA . . B . 16 ASP HB3 . b . 13 . HA . . . b . 16 . HB1 . . rr_1a93 2
89 1 . . 2 2 12 12 HIS HA H . . . 2 2 15 15 ASP HB2 H . . . . . 4.0 1.8 4.5 . . . . . B . 13 HIS HA . . B . 16 ASP HB2 . b . 13 . HA . . . b . 16 . HB2 . . rr_1a93 2
90 1 . . 2 2 14 14 GLN HA H . . . 2 2 17 17 ASP HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 15 GLN HA . . B . 18 ASP HB3 . b . 15 . HA . . . b . 18 . HB1 . . rr_1a93 2
91 1 . . 2 2 17 17 ASP HB2 H . . . 2 2 14 14 GLN HA H . . . . . 4.0 1.8 4.5 . . . . . B . 18 ASP HB2 . . B . 15 GLN HA . b . 18 . HB2 . . . b . 15 . HA . . rr_1a93 2
92 1 OR . 2 2 15 15 ASP HA H . . . 2 2 18 18 ASP HB3 H . . . . . 4.0 1.8 5.0 . . . . . B . 16 ASP HA . . B . 19 ASP HB3 . b . 16 . HA . . . b . 19 . HB* . . rr_1a93 2
92 2 OR . 2 2 15 15 ASP HA H . . . 2 2 18 18 ASP HB2 H . . . . . 4.0 1.8 5.0 . . . . . B . 16 ASP HA . . B . 19 ASP HB2 . b . 16 . HA . . . b . 19 . HB* . . rr_1a93 2
93 1 . . 2 2 16 16 ILE HA H . . . 2 2 19 19 LEU HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 17 ILE HA . . B . 20 LEU HB3 . b . 17 . HA . . . b . 20 . HB1 . . rr_1a93 2
94 1 . . 2 2 16 16 ILE HA H . . . 2 2 19 19 LEU HB2 H . . . . . 2.8 1.8 3.3 . . . . . B . 17 ILE HA . . B . 20 LEU HB2 . b . 17 . HA . . . b . 20 . HB2 . . rr_1a93 2
95 1 . . 2 2 17 17 ASP HA H . . . 2 2 20 20 LYS HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 18 ASP HA . . B . 21 LYS HB3 . b . 18 . HA . . . b . 21 . HB1 . . rr_1a93 2
96 1 . . 2 2 17 17 ASP HA H . . . 2 2 20 20 LYS HB2 H . . . . . 4.0 1.8 4.5 . . . . . B . 18 ASP HA . . B . 21 LYS HB2 . b . 18 . HA . . . b . 21 . HB2 . . rr_1a93 2
97 1 . . 2 2 18 18 ASP HA H . . . 2 2 21 21 ARG HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 19 ASP HA . . B . 22 ARG HB3 . b . 19 . HA . . . b . 22 . HB1 . . rr_1a93 2
98 1 . . 2 2 18 18 ASP HA H . . . 2 2 21 21 ARG HB2 H . . . . . 4.0 1.8 4.5 . . . . . B . 19 ASP HA . . B . 22 ARG HB2 . b . 19 . HA . . . b . 22 . HB2 . . rr_1a93 2
99 1 . . 2 2 20 20 LYS HA H . . . 2 2 23 23 ASN HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 21 LYS HA . . B . 24 ASN HB3 . b . 21 . HA . . . b . 24 . HB1 . . rr_1a93 2
100 1 . . 2 2 20 20 LYS HA H . . . 2 2 23 23 ASN HB2 H . . . . . 2.8 1.8 3.3 . . . . . B . 21 LYS HA . . B . 24 ASN HB2 . b . 21 . HA . . . b . 24 . HB2 . . rr_1a93 2
101 1 . . 2 2 23 23 ASN HA H . . . 2 2 26 26 LEU HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 24 ASN HA . . B . 27 LEU HB3 . b . 24 . HA . . . b . 27 . HB1 . . rr_1a93 2
102 1 . . 2 2 23 23 ASN HA H . . . 2 2 26 26 LEU HB2 H . . . . . 2.8 1.8 3.3 . . . . . B . 24 ASN HA . . B . 27 LEU HB2 . b . 24 . HA . . . b . 27 . HB2 . . rr_1a93 2
103 1 . . 2 2 27 27 GLU HA H . . . 2 2 30 30 VAL HB H . . . . . 2.8 1.8 3.3 . . . . . B . 28 GLU HA . . B . 31 VAL HB . b . 28 . HA . . . b . 31 . HB . . rr_1a93 2
104 1 . . 2 2 30 30 VAL HA H . . . 2 2 33 33 LEU HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 31 VAL HA . . B . 34 LEU HB3 . b . 31 . HA . . . b . 34 . HB1 . . rr_1a93 2
105 1 . . 2 2 30 30 VAL HA H . . . 2 2 33 33 LEU HB2 H . . . . . 4.0 1.8 4.5 . . . . . B . 31 VAL HA . . B . 34 LEU HB2 . b . 31 . HA . . . b . 34 . HB2 . . rr_1a93 2
106 1 . . 2 2 9 9 ASN HA H . . . 2 2 12 12 HIS HD2 H . . . . . 2.5 1.8 3.0 . . . . . B . 10 ASN HA . . B . 13 HIS HD2 . b . 10 . HA . . . b . 13 . HD2 . . rr_1a93 2
107 1 . . 2 2 11 11 THR MG H . . . 2 2 8 8 LYS HA H . . . . . 4.0 1.8 5.0 . . . . . B . 12 THR MG . . B . 9 LYS HA . b . 12 . HG* . . . b . 9 . HA . . rr_1a93 2
108 1 . . 2 2 9 9 ASN HA H . . . 2 2 12 12 HIS HD2 H . . . . . 2.5 1.8 3.0 . . . . . B . 10 ASN HA . . B . 13 HIS HD2 . b . 10 . HA . . . b . 13 . HD2 . . rr_1a93 2
109 1 OR . 2 2 12 12 HIS HD2 H . . . 2 2 9 9 ASN HB3 H . . . . . 4.0 1.8 5.0 . . . . . B . 13 HIS HD2 . . B . 10 ASN HB3 . b . 13 . HD2 . . . b . 10 . HB* . . rr_1a93 2
109 2 OR . 2 2 12 12 HIS HD2 H . . . 2 2 9 9 ASN HB2 H . . . . . 4.0 1.8 5.0 . . . . . B . 13 HIS HD2 . . B . 10 ASN HB2 . b . 13 . HD2 . . . b . 10 . HB* . . rr_1a93 2
110 1 . . 2 2 16 16 ILE HA H . . . 2 2 19 19 LEU MD1 H . . . . . 3.0 1.8 3.5 . . . . . B . 17 ILE HA . . B . 20 LEU MD1 . b . 17 . HA . . . b . 20 . HD1* . . rr_1a93 2
111 1 . . 2 2 16 16 ILE HA H . . . 2 2 19 19 LEU HG H . . . . . 3.5 1.8 4.0 . . . . . B . 17 ILE HA . . B . 20 LEU HG . b . 17 . HA . . . b . 20 . HG . . rr_1a93 2
112 1 . . 2 2 17 17 ASP HA H . . . 2 2 16 16 ILE MG H . . . . . 3.0 1.8 3.5 . . . . . B . 18 ASP HA . . B . 17 ILE MG . b . 18 . HA . . . b . 17 . HG2* . . rr_1a93 2
113 1 OR . 2 2 17 17 ASP HA H . . . 2 2 20 20 LYS HG2 H . . . . . 4.0 1.8 5.0 . . . . . B . 18 ASP HA . . B . 21 LYS HG2 . b . 18 . HA . . . b . 21 . HG* . . rr_1a93 2
113 2 OR . 2 2 17 17 ASP HA H . . . 2 2 20 20 LYS HG3 H . . . . . 4.0 1.8 5.0 . . . . . B . 18 ASP HA . . B . 21 LYS HG3 . b . 18 . HA . . . b . 21 . HG* . . rr_1a93 2
114 1 . . 2 2 22 22 GLN HE22 H . . . 2 2 26 26 LEU MD2 H . . . . . 4.0 1.8 5.0 . . . . . B . 23 GLN HE22 . . B . 27 LEU MD2 . b . 23 . HE22 . . . b . 27 . HD2* . . rr_1a93 2
115 1 . . 2 2 23 23 ASN HA H . . . 2 2 26 26 LEU MD1 H . . . . . 3.5 1.8 4.5 . . . . . B . 24 ASN HA . . B . 27 LEU MD1 . b . 24 . HA . . . b . 27 . HD1* . . rr_1a93 2
116 1 OR . 2 2 28 28 GLN H H . . . 2 2 27 27 GLU HG2 H . . . . . 3.5 1.8 4.0 . . . . . B . 29 GLN H . . B . 28 GLU HG2 . b . 29 . HN . . . b . 28 . HG* . . rr_1a93 2
116 2 OR . 2 2 28 28 GLN H H . . . 2 2 27 27 GLU HG3 H . . . . . 3.5 1.8 4.0 . . . . . B . 29 GLN H . . B . 28 GLU HG3 . b . 29 . HN . . . b . 28 . HG* . . rr_1a93 2
117 1 . . 2 2 27 27 GLU HA H . . . 2 2 30 30 VAL MG1 H . . . . . 3.5 1.8 4.5 . . . . . B . 28 GLU HA . . B . 31 VAL MG1 . b . 28 . HA . . . b . 31 . HG1* . . rr_1a93 2
118 1 . . 2 2 31 31 ARG H H . . . 2 2 30 30 VAL MG1 H . . . . . 3.5 1.8 4.5 . . . . . B . 32 ARG H . . B . 31 VAL MG1 . b . 32 . HN . . . b . 31 . HG1* . . rr_1a93 2
119 1 . . 2 2 31 31 ARG H H . . . 2 2 30 30 VAL MG2 H . . . . . 4.5 1.8 5.5 . . . . . B . 32 ARG H . . B . 31 VAL MG2 . b . 32 . HN . . . b . 31 . HG2* . . rr_1a93 2
120 1 OR . 2 2 30 30 VAL HA H . . . 2 2 33 33 LEU MD1 H . . . . . 4.0 1.8 6.0 . . . . . B . 31 VAL HA . . B . 34 LEU MD1 . b . 31 . HA . . . b . 34 . HD* . . rr_1a93 2
120 2 OR . 2 2 30 30 VAL HA H . . . 2 2 33 33 LEU MD2 H . . . . . 4.0 1.8 6.0 . . . . . B . 31 VAL HA . . B . 34 LEU MD2 . b . 31 . HA . . . b . 34 . HD* . . rr_1a93 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 CaH(i)-NH(i+3) 1 1 1 16 rr_1a93 2
2 CaH(i)-NH(i+4) 16 1 16 16 rr_1a93 2
3 CaH(i)-CbH(i+3) 24 1 24 17 rr_1a93 2
4 asp-18 41 1 41 8 rr_1a93 2
5 Ile-14 48 1 48 8 rr_1a93 2
6 Arg-23 58 1 58 8 rr_1a93 2
7 His-29 66 1 66 8 rr_1a93 2
8 CaH(i)-NH(i+3) 74 1 74 16 rr_1a93 2
9 CaH(i)-NH(i+4) 98 1 98 16 rr_1a93 2
10 CaH(i)-CbH(i+3) 112 1 112 17 rr_1a93 2
11 asn-10 140 1 140 8 rr_1a93 2
12
;Thr-12 HG*
assign ( resid 12 and name HG* and segid "b" )( resid 13 and name HB* and segid "b" ) 4.0 1.2 1.5
;
143 1 144 99 rr_1a93 2
13 "His-13 HD2" 147 1 147 12 rr_1a93 2
14 Ile-17 151 1 151 8 rr_1a93 2
15 Asp-18 156 1 156 8 rr_1a93 2
16 Gln-23 159 1 159 8 rr_1a93 2
17 Asn-24 162 1 162 8 rr_1a93 2
18
;assign ( resid 24 and name HD21 and segid "b" )( resid 21 and name HA and segid "b" ) 4.5 2.7 0.5
Glu-28
;
164 1 166 8 rr_1a93 2
19 Val-31 170 1 170 8 rr_1a93 2
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_1a93
_Gen_dist_constraint_list.ID 3
_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 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_1a93 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 5 5 VAL H H . . . 1 1 5 5 VAL HB H . . . . . 2.5 1.8 3.0 . . . . . A . 6 VAL H . . A . 6 VAL HB . a . 6 . HN . . . a . 6 . HB . . rr_1a93 3
2 1 . . 1 1 5 5 VAL HA H . . . 1 1 5 5 VAL H H . . . . . 3.0 1.8 3.5 . . . . . A . 6 VAL HA . . A . 6 VAL H . a . 6 . HA . . . a . 6 . HN . . rr_1a93 3
3 1 . . 1 1 5 5 VAL HA H . . . 1 1 5 5 VAL MG1 H . . . . . 3.5 1.8 4.5 . . . . . A . 6 VAL HA . . A . 6 VAL MG1 . a . 6 . HA . . . a . 6 . HG1* . . rr_1a93 3
4 1 . . 1 1 5 5 VAL HA H . . . 1 1 5 5 VAL MG2 H . . . . . 3.5 1.8 4.5 . . . . . A . 6 VAL HA . . A . 6 VAL MG2 . a . 6 . HA . . . a . 6 . HG2* . . rr_1a93 3
5 1 . . 1 1 5 5 VAL HA H . . . 1 1 5 5 VAL HB H . . . . . 3.0 1.8 3.5 . . . . . A . 6 VAL HA . . A . 6 VAL HB . a . 6 . HA . . . a . 6 . HB . . rr_1a93 3
6 1 . . 1 1 6 6 GLN H H . . . 1 1 6 6 GLN HA H . . . . . 3.0 1.8 3.5 . . . . . A . 7 GLN H . . A . 7 GLN HA . a . 7 . HN . . . a . 7 . HA . . rr_1a93 3
7 1 . . 1 1 7 7 ALA HA H . . . 1 1 7 7 ALA H H . . . . . 3.0 1.8 3.5 . . . . . A . 8 ALA HA . . A . 8 ALA H . a . 8 . HA . . . a . 8 . HN . . rr_1a93 3
8 1 . . 1 1 9 9 GLU H H . . . 1 1 9 9 GLU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 10 GLU H . . A . 10 GLU HA . a . 10 . HN . . . a . 10 . HA . . rr_1a93 3
9 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HB3 H . . . . . 3.5 3.0 4.0 . . . . . A . 13 LEU H . . A . 13 LEU HB3 . a . 13 . HN . . . a . 13 . HB1 . . rr_1a93 3
10 1 . . 1 1 12 12 LEU H H . . . 1 1 12 12 LEU HB2 H . . . . . 2.5 1.8 3.0 . . . . . A . 13 LEU H . . A . 13 LEU HB2 . a . 13 . HN . . . a . 13 . HB2 . . rr_1a93 3
11 1 . . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU MD2 H . . . . . 2.5 1.8 3.5 . . . . . A . 13 LEU HA . . A . 13 LEU MD2 . a . 13 . HA . . . a . 13 . HD2* . . rr_1a93 3
12 1 . . 1 1 12 12 LEU HA H . . . 1 1 12 12 LEU MD1 H . . . . . 4.0 1.8 5.0 . . . . . A . 13 LEU HA . . A . 13 LEU MD1 . a . 13 . HA . . . a . 13 . HD1* . . rr_1a93 3
13 1 . . 1 1 13 13 ILE HA H . . . 1 1 13 13 ILE H H . . . . . 3.5 1.8 4.0 . . . . . A . 14 ILE HA . . A . 14 ILE H . a . 14 . HA . . . a . 14 . HN . . rr_1a93 3
14 1 . . 1 1 13 13 ILE H H . . . 1 1 13 13 ILE HB H . . . . . 2.5 1.8 3.0 . . . . . A . 14 ILE H . . A . 14 ILE HB . a . 14 . HN . . . a . 14 . HB . . rr_1a93 3
15 1 . . 1 1 13 13 ILE HA H . . . 1 1 13 13 ILE HB H . . . . . 3.5 1.8 4.0 . . . . . A . 14 ILE HA . . A . 14 ILE HB . a . 14 . HA . . . a . 14 . HB . . rr_1a93 3
16 1 . . 1 1 13 13 ILE HA H . . . 1 1 13 13 ILE MD H . . . . . 4.5 1.8 5.5 . . . . . A . 14 ILE HA . . A . 14 ILE MD . a . 14 . HA . . . a . 14 . HD1* . . rr_1a93 3
17 1 . . 1 1 13 13 ILE HA H . . . 1 1 13 13 ILE MG H . . . . . 3.0 1.8 4.0 . . . . . A . 14 ILE HA . . A . 14 ILE MG . a . 14 . HA . . . a . 14 . HG2* . . rr_1a93 3
18 1 . . 1 1 14 14 SER H H . . . 1 1 14 14 SER HA H . . . . . 3.5 1.8 4.0 . . . . . A . 15 SER H . . A . 15 SER HA . a . 15 . HN . . . a . 15 . HA . . rr_1a93 3
19 1 . . 1 1 15 15 GLU H H . . . 1 1 15 15 GLU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 16 GLU H . . A . 16 GLU HA . a . 16 . HN . . . a . 16 . HA . . rr_1a93 3
20 1 . . 1 1 18 18 LEU H H . . . 1 1 18 18 LEU HA H . . . . . 2.5 1.8 3.0 . . . . . A . 19 LEU H . . A . 19 LEU HA . a . 19 . HN . . . a . 19 . HA . . rr_1a93 3
21 1 . . 1 1 19 19 LEU H H . . . 1 1 19 19 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 20 LEU H . . A . 20 LEU HA . a . 20 . HN . . . a . 20 . HA . . rr_1a93 3
22 1 . . 1 1 19 19 LEU H H . . . 1 1 19 19 LEU HB3 H . . . . . 3.5 1.8 4.0 . . . . . A . 20 LEU H . . A . 20 LEU HB3 . a . 20 . HN . . . a . 20 . HB1 . . rr_1a93 3
23 1 . . 1 1 19 19 LEU H H . . . 1 1 19 19 LEU HB2 H . . . . . 2.5 1.8 3.0 . . . . . A . 20 LEU H . . A . 20 LEU HB2 . a . 20 . HN . . . a . 20 . HB2 . . rr_1a93 3
24 1 . . 1 1 19 19 LEU H H . . . 1 1 19 19 LEU HB3 H . . . . . 3.0 1.8 3.5 . . . . . A . 20 LEU H . . A . 20 LEU HB3 . a . 20 . HN . . . a . 20 . HB1 . . rr_1a93 3
25 1 . . 1 1 20 20 ARG H H . . . 1 1 20 20 ARG HA H . . . . . 2.5 1.8 3.0 . . . . . A . 21 ARG H . . A . 21 ARG HA . a . 21 . HN . . . a . 21 . HA . . rr_1a93 3
26 1 OR . 1 1 20 20 ARG H H . . . 1 1 20 20 ARG HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 21 ARG H . . A . 21 ARG HB2 . a . 21 . HN . . . a . 21 . HB* . . rr_1a93 3
26 2 OR . 1 1 20 20 ARG H H . . . 1 1 20 20 ARG HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 21 ARG H . . A . 21 ARG HB3 . a . 21 . HN . . . a . 21 . HB* . . rr_1a93 3
27 1 . . 1 1 22 22 ARG HA H . . . 1 1 22 22 ARG H H . . . . . 2.5 1.8 3.0 . . . . . A . 23 ARG HA . . A . 23 ARG H . a . 23 . HA . . . a . 23 . HN . . rr_1a93 3
28 1 OR . 1 1 22 22 ARG H H . . . 1 1 22 22 ARG HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 23 ARG H . . A . 23 ARG HB2 . a . 23 . HN . . . a . 23 . HB* . . rr_1a93 3
28 2 OR . 1 1 22 22 ARG HB3 H . . . 1 1 22 22 ARG H H . . . . . 3.0 1.8 4.5 . . . . . A . 23 ARG HB3 . . A . 23 ARG H . a . 23 . HB* . . . a . 23 . HN . . rr_1a93 3
29 1 . . 1 1 23 23 ARG H H . . . 1 1 23 23 ARG HA H . . . . . 2.5 1.8 3.0 . . . . . A . 24 ARG H . . A . 24 ARG HA . a . 24 . HN . . . a . 24 . HA . . rr_1a93 3
30 1 OR . 1 1 23 23 ARG H H . . . 1 1 23 23 ARG HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 24 ARG H . . A . 24 ARG HB2 . a . 24 . HN . . . a . 24 . HB* . . rr_1a93 3
30 2 OR . 1 1 23 23 ARG H H . . . 1 1 23 23 ARG HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 24 ARG H . . A . 24 ARG HB3 . a . 24 . HN . . . a . 24 . HB* . . rr_1a93 3
31 1 . . 1 1 24 24 GLU H H . . . 1 1 24 24 GLU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 25 GLU H . . A . 25 GLU HA . a . 25 . HN . . . a . 25 . HA . . rr_1a93 3
32 1 OR . 1 1 24 24 GLU H H . . . 1 1 24 24 GLU HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 25 GLU H . . A . 25 GLU HB2 . a . 25 . HN . . . a . 25 . HB* . . rr_1a93 3
32 2 OR . 1 1 24 24 GLU H H . . . 1 1 24 24 GLU HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 25 GLU H . . A . 25 GLU HB3 . a . 25 . HN . . . a . 25 . HB* . . rr_1a93 3
33 1 OR . 1 1 24 24 GLU H H . . . 1 1 24 24 GLU HG2 H . . . . . 3.5 1.8 5.0 . . . . . A . 25 GLU H . . A . 25 GLU HG2 . a . 25 . HN . . . a . 25 . HG* . . rr_1a93 3
33 2 OR . 1 1 24 24 GLU H H . . . 1 1 24 24 GLU HG3 H . . . . . 3.5 1.8 5.0 . . . . . A . 25 GLU H . . A . 25 GLU HG3 . a . 25 . HN . . . a . 25 . HG* . . rr_1a93 3
34 1 . . 1 1 25 25 GLN HA H . . . 1 1 25 25 GLN H H . . . . . 2.5 1.8 3.0 . . . . . A . 26 GLN HA . . A . 26 GLN H . a . 26 . HA . . . a . 26 . HN . . rr_1a93 3
35 1 OR . 1 1 25 25 GLN H H . . . 1 1 25 25 GLN HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 26 GLN H . . A . 26 GLN HB2 . a . 26 . HN . . . a . 26 . HB* . . rr_1a93 3
35 2 OR . 1 1 25 25 GLN H H . . . 1 1 25 25 GLN HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 26 GLN H . . A . 26 GLN HB3 . a . 26 . HN . . . a . 26 . HB* . . rr_1a93 3
36 1 OR . 1 1 25 25 GLN H H . . . 1 1 25 25 GLN HG2 H . . . . . 4.0 1.8 5.5 . . . . . A . 26 GLN H . . A . 26 GLN HG2 . a . 26 . HN . . . a . 26 . HG* . . rr_1a93 3
36 2 OR . 1 1 25 25 GLN H H . . . 1 1 25 25 GLN HG3 H . . . . . 4.0 1.8 5.5 . . . . . A . 26 GLN H . . A . 26 GLN HG3 . a . 26 . HN . . . a . 26 . HG* . . rr_1a93 3
37 1 . . 1 1 26 26 LEU H H . . . 1 1 26 26 LEU HB3 H . . . . . 3.5 1.8 4.0 . . . . . A . 27 LEU H . . A . 27 LEU HB3 . a . 27 . HN . . . a . 27 . HB1 . . rr_1a93 3
38 1 . . 1 1 26 26 LEU H H . . . 1 1 26 26 LEU HB2 H . . . . . 2.5 1.8 3.0 . . . . . A . 27 LEU H . . A . 27 LEU HB2 . a . 27 . HN . . . a . 27 . HB2 . . rr_1a93 3
39 1 . . 1 1 26 26 LEU H H . . . 1 1 26 26 LEU HA H . . . . . 3.5 1.8 4.0 . . . . . A . 27 LEU H . . A . 27 LEU HA . a . 27 . HN . . . a . 27 . HA . . rr_1a93 3
40 1 . . 1 1 26 26 LEU H H . . . 1 1 26 26 LEU HG H . . . . . 3.0 2.3 4.5 . . . . . A . 27 LEU H . . A . 27 LEU HG . a . 27 . HN . . . a . 27 . HG2* . . rr_1a93 3
41 1 . . 1 1 28 28 HIS HA H . . . 1 1 28 28 HIS H H . . . . . 3.5 1.8 4.0 . . . . . A . 29 HIS HA . . A . 29 HIS H . a . 29 . HA . . . a . 29 . HN . . rr_1a93 3
42 1 OR . 1 1 28 28 HIS H H . . . 1 1 28 28 HIS HB3 H . . . . . 2.5 1.8 4.0 . . . . . A . 29 HIS H . . A . 29 HIS HB3 . a . 29 . HN . . . a . 29 . HB* . . rr_1a93 3
42 2 OR . 1 1 28 28 HIS H H . . . 1 1 28 28 HIS HB2 H . . . . . 2.5 1.8 4.0 . . . . . A . 29 HIS H . . A . 29 HIS HB2 . a . 29 . HN . . . a . 29 . HB* . . rr_1a93 3
43 1 . . 1 1 28 28 HIS HD2 H . . . 1 1 28 28 HIS HB3 H . . . . . 3.5 1.8 4.0 . . . . . A . 29 HIS HD2 . . A . 29 HIS HB3 . a . 29 . HD2 . . . a . 29 . HB1 . . rr_1a93 3
44 1 . . 1 1 28 28 HIS HB2 H . . . 1 1 28 28 HIS HD2 H . . . . . 2.5 1.8 3.0 . . . . . A . 29 HIS HB2 . . A . 29 HIS HD2 . a . 29 . HB2 . . . a . 29 . HD2 . . rr_1a93 3
45 1 . . 1 1 30 30 LEU H H . . . 1 1 30 30 LEU HA H . . . . . 2.5 1.8 3.0 . . . . . A . 31 LEU H . . A . 31 LEU HA . a . 31 . HN . . . a . 31 . HA . . rr_1a93 3
46 1 . . 1 1 30 30 LEU H H . . . 1 1 30 30 LEU HB2 H . . . . . 2.5 1.8 3.0 . . . . . A . 31 LEU H . . A . 31 LEU HB2 . a . 31 . HN . . . a . 31 . HB2 . . rr_1a93 3
47 1 . . 1 1 30 30 LEU H H . . . 1 1 30 30 LEU HB3 H . . . . . 3.5 1.8 4.0 . . . . . A . 31 LEU H . . A . 31 LEU HB3 . a . 31 . HN . . . a . 31 . HB1 . . rr_1a93 3
48 1 . . 1 1 31 31 GLU H H . . . 1 1 31 31 GLU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 32 GLU H . . A . 32 GLU HA . a . 32 . HN . . . a . 32 . HA . . rr_1a93 3
49 1 . . 1 1 32 32 GLN HA H . . . 1 1 32 32 GLN H H . . . . . 3.0 1.8 3.5 . . . . . A . 33 GLN HA . . A . 33 GLN H . a . 33 . HA . . . a . 33 . HN . . rr_1a93 3
50 1 OR . 1 1 32 32 GLN H H . . . 1 1 32 32 GLN HB2 H . . . . . 3.0 1.8 4.5 . . . . . A . 33 GLN H . . A . 33 GLN HB2 . a . 33 . HN . . . a . 33 . HB* . . rr_1a93 3
50 2 OR . 1 1 32 32 GLN H H . . . 1 1 32 32 GLN HB3 H . . . . . 3.0 1.8 4.5 . . . . . A . 33 GLN H . . A . 33 GLN HB3 . a . 33 . HN . . . a . 33 . HB* . . rr_1a93 3
51 1 . . 1 1 33 33 LEU H H . . . 1 1 33 33 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . A . 34 LEU H . . A . 34 LEU HA . a . 34 . HN . . . a . 34 . HA . . rr_1a93 3
52 1 . . 2 2 9 9 ASN HA H . . . 2 2 9 9 ASN H H . . . . . 3.5 1.8 4.0 . . . . . B . 10 ASN HA . . B . 10 ASN H . b . 10 . HA . . . b . 10 . HN . . rr_1a93 3
53 1 . . 2 2 9 9 ASN H H . . . 2 2 9 9 ASN HB3 H . . . . . 3.5 3.0 4.0 . . . . . B . 10 ASN H . . B . 10 ASN HB3 . b . 10 . HN . . . b . 10 . HB1 . . rr_1a93 3
54 1 . . 2 2 9 9 ASN H H . . . 2 2 9 9 ASN HB2 H . . . . . 2.5 1.8 3.0 . . . . . B . 10 ASN H . . B . 10 ASN HB2 . b . 10 . HN . . . b . 10 . HB2 . . rr_1a93 3
55 1 . . 2 2 9 9 ASN HA H . . . 2 2 9 9 ASN HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 10 ASN HA . . B . 10 ASN HB3 . b . 10 . HA . . . b . 10 . HB1 . . rr_1a93 3
56 1 . . 2 2 9 9 ASN HA H . . . 2 2 9 9 ASN HB2 H . . . . . 2.8 1.8 3.3 . . . . . B . 10 ASN HA . . B . 10 ASN HB2 . b . 10 . HA . . . b . 10 . HB2 . . rr_1a93 3
57 1 . . 2 2 9 9 ASN HD21 H . . . 2 2 9 9 ASN HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 10 ASN HD21 . . B . 10 ASN HB3 . b . 10 . HD21 . . . b . 10 . HB1 . . rr_1a93 3
58 1 . . 2 2 9 9 ASN HB2 H . . . 2 2 9 9 ASN HD21 H . . . . . 4.0 1.8 4.5 . . . . . B . 10 ASN HB2 . . B . 10 ASN HD21 . b . 10 . HB2 . . . b . 10 . HD21 . . rr_1a93 3
59 1 . . 2 2 9 9 ASN HD22 H . . . 2 2 9 9 ASN HB3 H . . . . . 5.5 1.8 6.0 . . . . . B . 10 ASN HD22 . . B . 10 ASN HB3 . b . 10 . HD22 . . . b . 10 . HB1 . . rr_1a93 3
60 1 . . 2 2 9 9 ASN HB2 H . . . 2 2 9 9 ASN HD22 H . . . . . 5.5 1.8 6.0 . . . . . B . 10 ASN HB2 . . B . 10 ASN HD22 . b . 10 . HB2 . . . b . 10 . HD22 . . rr_1a93 3
61 1 . . 2 2 10 10 ASP H H . . . 2 2 10 10 ASP HA H . . . . . 3.0 1.8 3.5 . . . . . B . 11 ASP H . . B . 11 ASP HA . b . 11 . HN . . . b . 11 . HA . . rr_1a93 3
62 1 . . 2 2 11 11 THR H H . . . 2 2 11 11 THR HB H . . . . . 3.5 1.8 4.0 . . . . . B . 12 THR H . . B . 12 THR HB . b . 12 . HN . . . b . 12 . HB . . rr_1a93 3
63 1 . . 2 2 11 11 THR H H . . . 2 2 11 11 THR MG H . . . . . 3.5 2.3 4.5 . . . . . B . 12 THR H . . B . 12 THR MG . b . 12 . HN . . . b . 12 . HG* . . rr_1a93 3
64 1 . . 2 2 11 11 THR HA H . . . 2 2 11 11 THR MG H . . . . . 3.5 2.3 4.5 . . . . . B . 12 THR HA . . B . 12 THR MG . b . 12 . HA . . . b . 12 . HG* . . rr_1a93 3
65 1 . . 2 2 12 12 HIS H H . . . 2 2 12 12 HIS HA H . . . . . 3.5 1.8 4.0 . . . . . B . 13 HIS H . . B . 13 HIS HA . b . 13 . HN . . . b . 13 . HA . . rr_1a93 3
66 1 . . 2 2 12 12 HIS H H . . . 2 2 12 12 HIS HB3 H . . . . . 3.5 3.0 4.0 . . . . . B . 13 HIS H . . B . 13 HIS HB3 . b . 13 . HN . . . b . 13 . HB1 . . rr_1a93 3
67 1 . . 2 2 12 12 HIS H H . . . 2 2 12 12 HIS HB2 H . . . . . 2.5 1.8 3.0 . . . . . B . 13 HIS H . . B . 13 HIS HB2 . b . 13 . HN . . . b . 13 . HB2 . . rr_1a93 3
68 1 . . 2 2 12 12 HIS HA H . . . 2 2 12 12 HIS HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 13 HIS HA . . B . 13 HIS HB3 . b . 13 . HA . . . b . 13 . HB1 . . rr_1a93 3
69 1 . . 2 2 12 12 HIS HA H . . . 2 2 12 12 HIS HB2 H . . . . . 4.0 1.8 4.5 . . . . . B . 13 HIS HA . . B . 13 HIS HB2 . b . 13 . HA . . . b . 13 . HB2 . . rr_1a93 3
70 1 . . 2 2 12 12 HIS HD2 H . . . 2 2 12 12 HIS HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 13 HIS HD2 . . B . 13 HIS HB3 . b . 13 . HD2 . . . b . 13 . HB1 . . rr_1a93 3
71 1 . . 2 2 12 12 HIS HD2 H . . . 2 2 12 12 HIS HB2 H . . . . . 2.5 1.8 3.0 . . . . . B . 13 HIS HD2 . . B . 13 HIS HB2 . b . 13 . HD2 . . . b . 13 . HB2 . . rr_1a93 3
72 1 OR . 2 2 12 12 HIS HD2 H . . . 2 2 12 12 HIS HB3 H . . . . . 3.0 1.8 4.0 . . . . . B . 13 HIS HD2 . . B . 13 HIS HB3 . b . 13 . HD2 . . . b . 13 . HB* . . rr_1a93 3
72 2 OR . 2 2 12 12 HIS HD2 H . . . 2 2 12 12 HIS HB2 H . . . . . 3.0 1.8 4.0 . . . . . B . 13 HIS HD2 . . B . 13 HIS HB2 . b . 13 . HD2 . . . b . 13 . HB* . . rr_1a93 3
73 1 . . 2 2 13 13 GLN H H . . . 2 2 13 13 GLN HA H . . . . . 3.0 1.8 3.5 . . . . . B . 14 GLN H . . B . 14 GLN HA . b . 14 . HN . . . b . 14 . HA . . rr_1a93 3
74 1 . . 2 2 14 14 GLN H H . . . 2 2 14 14 GLN HA H . . . . . 3.0 1.8 3.5 . . . . . B . 15 GLN H . . B . 15 GLN HA . b . 15 . HN . . . b . 15 . HA . . rr_1a93 3
75 1 . . 2 2 15 15 ASP H H . . . 2 2 15 15 ASP HA H . . . . . 3.0 1.8 3.5 . . . . . B . 16 ASP H . . B . 16 ASP HA . b . 16 . HN . . . b . 16 . HA . . rr_1a93 3
76 1 . . 2 2 15 15 ASP H H . . . 2 2 15 15 ASP HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 16 ASP H . . B . 16 ASP HB3 . b . 16 . HN . . . b . 16 . HB1 . . rr_1a93 3
77 1 . . 2 2 15 15 ASP H H . . . 2 2 15 15 ASP HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 16 ASP H . . B . 16 ASP HB2 . b . 16 . HN . . . b . 16 . HB2 . . rr_1a93 3
78 1 . . 2 2 16 16 ILE HA H . . . 2 2 16 16 ILE H H . . . . . 3.5 1.8 4.0 . . . . . B . 17 ILE HA . . B . 17 ILE H . b . 17 . HA . . . b . 17 . HN . . rr_1a93 3
79 1 . . 2 2 17 17 ASP H H . . . 2 2 17 17 ASP HA H . . . . . 3.5 1.8 4.0 . . . . . B . 18 ASP H . . B . 18 ASP HA . b . 18 . HN . . . b . 18 . HA . . rr_1a93 3
80 1 . . 2 2 17 17 ASP H H . . . 2 2 17 17 ASP HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 18 ASP H . . B . 18 ASP HB3 . b . 18 . HN . . . b . 18 . HB1 . . rr_1a93 3
81 1 . . 2 2 17 17 ASP H H . . . 2 2 17 17 ASP HB2 H . . . . . 4.0 1.8 4.5 . . . . . B . 18 ASP H . . B . 18 ASP HB2 . b . 18 . HN . . . b . 18 . HB2 . . rr_1a93 3
82 1 . . 2 2 17 17 ASP HA H . . . 2 2 17 17 ASP HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 18 ASP HA . . B . 18 ASP HB3 . b . 18 . HA . . . b . 18 . HB1 . . rr_1a93 3
83 1 . . 2 2 17 17 ASP HA H . . . 2 2 17 17 ASP HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 18 ASP HA . . B . 18 ASP HB2 . b . 18 . HA . . . b . 18 . HB2 . . rr_1a93 3
84 1 . . 2 2 18 18 ASP H H . . . 2 2 18 18 ASP HA H . . . . . 3.0 1.8 3.5 . . . . . B . 19 ASP H . . B . 19 ASP HA . b . 19 . HN . . . b . 19 . HA . . rr_1a93 3
85 1 . . 2 2 18 18 ASP H H . . . 2 2 18 18 ASP HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 19 ASP H . . B . 19 ASP HB2 . b . 19 . HN . . . b . 19 . HB2 . . rr_1a93 3
86 1 . . 2 2 19 19 LEU H H . . . 2 2 19 19 LEU HA H . . . . . 3.5 1.8 4.5 . . . . . B . 20 LEU H . . B . 20 LEU HA . b . 20 . HN . . . b . 20 . HA . . rr_1a93 3
87 1 . . 2 2 19 19 LEU H H . . . 2 2 19 19 LEU HB3 H . . . . . 3.5 1.8 4.0 . . . . . B . 20 LEU H . . B . 20 LEU HB3 . b . 20 . HN . . . b . 20 . HB1 . . rr_1a93 3
88 1 . . 2 2 19 19 LEU H H . . . 2 2 19 19 LEU HB2 H . . . . . 2.5 1.8 3.0 . . . . . B . 20 LEU H . . B . 20 LEU HB2 . b . 20 . HN . . . b . 20 . HB2 . . rr_1a93 3
89 1 . . 2 2 19 19 LEU HB3 H . . . 2 2 19 19 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . B . 20 LEU HB3 . . B . 20 LEU HA . b . 20 . HB1 . . . b . 20 . HA . . rr_1a93 3
90 1 . . 2 2 19 19 LEU H H . . . 2 2 19 19 LEU HG H . . . . . 3.0 1.8 3.5 . . . . . B . 20 LEU H . . B . 20 LEU HG . b . 20 . HN . . . b . 20 . HG . . rr_1a93 3
91 1 . . 2 2 19 19 LEU HA H . . . 2 2 19 19 LEU MD2 H . . . . . 3.0 1.8 4.0 . . . . . B . 20 LEU HA . . B . 20 LEU MD2 . b . 20 . HA . . . b . 20 . HD2* . . rr_1a93 3
92 1 . . 2 2 20 20 LYS HA H . . . 2 2 20 20 LYS H H . . . . . 3.0 1.8 3.5 . . . . . B . 21 LYS HA . . B . 21 LYS H . b . 21 . HA . . . b . 21 . HN . . rr_1a93 3
93 1 OR . 2 2 20 20 LYS H H . . . 2 2 20 20 LYS HB2 H . . . . . 3.0 1.8 4.5 . . . . . B . 21 LYS H . . B . 21 LYS HB2 . b . 21 . HN . . . b . 21 . HB* . . rr_1a93 3
93 2 OR . 2 2 20 20 LYS H H . . . 2 2 20 20 LYS HB3 H . . . . . 3.0 1.8 4.5 . . . . . B . 21 LYS H . . B . 21 LYS HB3 . b . 21 . HN . . . b . 21 . HB* . . rr_1a93 3
94 1 OR . 2 2 20 20 LYS HB3 H . . . 2 2 20 20 LYS HE2 H . . . . . 3.5 1.8 5.0 . . . . . B . 21 LYS HB3 . . B . 21 LYS HE2 . b . 21 . HB* . . . b . 21 . HE* . . rr_1a93 3
94 2 OR . 2 2 20 20 LYS HE3 H . . . 2 2 20 20 LYS HB2 H . . . . . 3.5 1.8 5.0 . . . . . B . 21 LYS HE3 . . B . 21 LYS HB2 . b . 21 . HE* . . . b . 21 . HB* . . rr_1a93 3
94 3 OR . 2 2 20 20 LYS HB3 H . . . 2 2 20 20 LYS HE3 H . . . . . 3.5 1.8 5.0 . . . . . B . 21 LYS HB3 . . B . 21 LYS HE3 . b . 21 . HB* . . . b . 21 . HE* . . rr_1a93 3
94 4 OR . 2 2 20 20 LYS HB2 H . . . 2 2 20 20 LYS HE2 H . . . . . 3.5 1.8 5.0 . . . . . B . 21 LYS HB2 . . B . 21 LYS HE2 . b . 21 . HB* . . . b . 21 . HE* . . rr_1a93 3
95 1 OR . 2 2 20 20 LYS HD2 H . . . 2 2 20 20 LYS HE2 H . . . . . 3.5 1.8 5.0 . . . . . B . 21 LYS HD2 . . B . 21 LYS HE2 . b . 21 . HD* . . . b . 21 . HE* . . rr_1a93 3
95 2 OR . 2 2 20 20 LYS HD3 H . . . 2 2 20 20 LYS HE2 H . . . . . 3.5 1.8 5.0 . . . . . B . 21 LYS HD3 . . B . 21 LYS HE2 . b . 21 . HD* . . . b . 21 . HE* . . rr_1a93 3
95 3 OR . 2 2 20 20 LYS HE3 H . . . 2 2 20 20 LYS HD2 H . . . . . 3.5 1.8 5.0 . . . . . B . 21 LYS HE3 . . B . 21 LYS HD2 . b . 21 . HE* . . . b . 21 . HD* . . rr_1a93 3
95 4 OR . 2 2 20 20 LYS HE3 H . . . 2 2 20 20 LYS HD3 H . . . . . 3.5 1.8 5.0 . . . . . B . 21 LYS HE3 . . B . 21 LYS HD3 . b . 21 . HE* . . . b . 21 . HD* . . rr_1a93 3
96 1 . . 2 2 21 21 ARG H H . . . 2 2 21 21 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . B . 22 ARG H . . B . 22 ARG HA . b . 22 . HN . . . b . 22 . HA . . rr_1a93 3
97 1 . . 2 2 21 21 ARG H H . . . 2 2 21 21 ARG HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 22 ARG H . . B . 22 ARG HB3 . b . 22 . HN . . . b . 22 . HB1 . . rr_1a93 3
98 1 . . 2 2 21 21 ARG H H . . . 2 2 21 21 ARG HB2 H . . . . . 3.5 2.3 4.0 . . . . . B . 22 ARG H . . B . 22 ARG HB2 . b . 22 . HN . . . b . 22 . HB2 . . rr_1a93 3
99 1 . . 2 2 21 21 ARG HA H . . . 2 2 21 21 ARG HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 22 ARG HA . . B . 22 ARG HB2 . b . 22 . HA . . . b . 22 . HB2 . . rr_1a93 3
100 1 . . 2 2 22 22 GLN HA H . . . 2 2 22 22 GLN H H . . . . . 3.0 1.8 3.5 . . . . . B . 23 GLN HA . . B . 23 GLN H . b . 23 . HA . . . b . 23 . HN . . rr_1a93 3
101 1 OR . 2 2 22 22 GLN H H . . . 2 2 22 22 GLN HB2 H . . . . . 3.0 1.8 4.0 . . . . . B . 23 GLN H . . B . 23 GLN HB2 . b . 23 . HN . . . b . 23 . HB* . . rr_1a93 3
101 2 OR . 2 2 22 22 GLN H H . . . 2 2 22 22 GLN HB3 H . . . . . 3.0 1.8 4.0 . . . . . B . 23 GLN H . . B . 23 GLN HB3 . b . 23 . HN . . . b . 23 . HB* . . rr_1a93 3
102 1 OR . 2 2 22 22 GLN H H . . . 2 2 22 22 GLN HG2 H . . . . . 3.5 2.3 4.5 . . . . . B . 23 GLN H . . B . 23 GLN HG2 . b . 23 . HN . . . b . 23 . HG* . . rr_1a93 3
102 2 OR . 2 2 22 22 GLN H H . . . 2 2 22 22 GLN HG3 H . . . . . 3.5 2.3 4.5 . . . . . B . 23 GLN H . . B . 23 GLN HG3 . b . 23 . HN . . . b . 23 . HG* . . rr_1a93 3
103 1 . . 2 2 23 23 ASN H H . . . 2 2 23 23 ASN HA H . . . . . 3.0 1.8 3.5 . . . . . B . 24 ASN H . . B . 24 ASN HA . b . 24 . HN . . . b . 24 . HA . . rr_1a93 3
104 1 . . 2 2 23 23 ASN H H . . . 2 2 23 23 ASN HB3 H . . . . . 3.5 1.8 4.0 . . . . . B . 24 ASN H . . B . 24 ASN HB3 . b . 24 . HN . . . b . 24 . HB1 . . rr_1a93 3
105 1 . . 2 2 23 23 ASN H H . . . 2 2 23 23 ASN HB2 H . . . . . 2.5 1.8 3.0 . . . . . B . 24 ASN H . . B . 24 ASN HB2 . b . 24 . HN . . . b . 24 . HB2 . . rr_1a93 3
106 1 . . 2 2 23 23 ASN HA H . . . 2 2 23 23 ASN HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 24 ASN HA . . B . 24 ASN HB3 . b . 24 . HA . . . b . 24 . HB1 . . rr_1a93 3
107 1 . . 2 2 23 23 ASN HB3 H . . . 2 2 23 23 ASN HD22 H . . . . . 4.0 1.8 4.5 . . . . . B . 24 ASN HB3 . . B . 24 ASN HD22 . b . 24 . HB1 . . . b . 24 . HD22 . . rr_1a93 3
108 1 . . 2 2 23 23 ASN HB3 H . . . 2 2 23 23 ASN HD22 H . . . . . 4.0 1.8 4.5 . . . . . B . 24 ASN HB3 . . B . 24 ASN HD22 . b . 24 . HB1 . . . b . 24 . HD22 . . rr_1a93 3
109 1 . . 2 2 23 23 ASN HB3 H . . . 2 2 23 23 ASN HD21 H . . . . . 3.0 1.8 3.5 . . . . . B . 24 ASN HB3 . . B . 24 ASN HD21 . b . 24 . HB1 . . . b . 24 . HD21 . . rr_1a93 3
110 1 . . 2 2 23 23 ASN HB2 H . . . 2 2 23 23 ASN HD21 H . . . . . 3.0 1.8 3.5 . . . . . B . 24 ASN HB2 . . B . 24 ASN HD21 . b . 24 . HB2 . . . b . 24 . HD21 . . rr_1a93 3
111 1 . . 2 2 23 23 ASN HA H . . . 2 2 23 23 ASN HD22 H . . . . . 4.0 1.8 4.5 . . . . . B . 24 ASN HA . . B . 24 ASN HD22 . b . 24 . HA . . . b . 24 . HD22 . . rr_1a93 3
112 1 . . 2 2 23 23 ASN H H . . . 2 2 23 23 ASN HD21 H . . . . . 4.0 1.8 4.5 . . . . . B . 24 ASN H . . B . 24 ASN HD21 . b . 24 . HN . . . b . 24 . HD21 . . rr_1a93 3
113 1 . . 2 2 24 24 ALA H H . . . 2 2 24 24 ALA HA H . . . . . 3.0 1.8 3.5 . . . . . B . 25 ALA H . . B . 25 ALA HA . b . 25 . HN . . . b . 25 . HA . . rr_1a93 3
114 1 . . 2 2 24 24 ALA H H . . . 2 2 24 24 ALA MB H . . . . . 3.0 2.3 4.0 . . . . . B . 25 ALA H . . B . 25 ALA MB . b . 25 . HN . . . b . 25 . HB* . . rr_1a93 3
115 1 . . 2 2 25 25 LEU H H . . . 2 2 25 25 LEU HA H . . . . . 3.0 1.8 3.5 . . . . . B . 26 LEU H . . B . 26 LEU HA . b . 26 . HN . . . b . 26 . HA . . rr_1a93 3
116 1 . . 2 2 26 26 LEU H H . . . 2 2 26 26 LEU HB3 H . . . . . 3.5 3.0 4.0 . . . . . B . 27 LEU H . . B . 27 LEU HB3 . b . 27 . HN . . . b . 27 . HB1 . . rr_1a93 3
117 1 . . 2 2 26 26 LEU H H . . . 2 2 26 26 LEU HB2 H . . . . . 2.5 1.8 3.0 . . . . . B . 27 LEU H . . B . 27 LEU HB2 . b . 27 . HN . . . b . 27 . HB2 . . rr_1a93 3
118 1 . . 2 2 26 26 LEU HA H . . . 2 2 26 26 LEU HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 27 LEU HA . . B . 27 LEU HB3 . b . 27 . HA . . . b . 27 . HB1 . . rr_1a93 3
119 1 . . 2 2 26 26 LEU H H . . . 2 2 26 26 LEU HG H . . . . . 3.0 1.8 3.5 . . . . . B . 27 LEU H . . B . 27 LEU HG . b . 27 . HN . . . b . 27 . HG . . rr_1a93 3
120 1 . . 2 2 26 26 LEU HA H . . . 2 2 26 26 LEU H H . . . . . 3.0 1.8 3.5 . . . . . B . 27 LEU HA . . B . 27 LEU H . b . 27 . HA . . . b . 27 . HN . . rr_1a93 3
121 1 . . 2 2 27 27 GLU H H . . . 2 2 27 27 GLU HA H . . . . . 3.0 1.8 3.5 . . . . . B . 28 GLU H . . B . 28 GLU HA . b . 28 . HN . . . b . 28 . HA . . rr_1a93 3
122 1 . . 2 2 27 27 GLU H H . . . 2 2 27 27 GLU HB3 H . . . . . 3.0 1.8 3.5 . . . . . B . 28 GLU H . . B . 28 GLU HB3 . b . 28 . HN . . . b . 28 . HB1 . . rr_1a93 3
123 1 . . 2 2 27 27 GLU H H . . . 2 2 27 27 GLU HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 28 GLU H . . B . 28 GLU HB2 . b . 28 . HN . . . b . 28 . HB2 . . rr_1a93 3
124 1 . . 2 2 27 27 GLU H H . . . 2 2 27 27 GLU HB3 H . . . . . 3.5 1.8 4.0 . . . . . B . 28 GLU H . . B . 28 GLU HB3 . b . 28 . HN . . . b . 28 . HB1 . . rr_1a93 3
125 1 . . 2 2 27 27 GLU H H . . . 2 2 27 27 GLU HB2 H . . . . . 3.0 1.8 3.5 . . . . . B . 28 GLU H . . B . 28 GLU HB2 . b . 28 . HN . . . b . 28 . HB2 . . rr_1a93 3
126 1 . . 2 2 28 28 GLN H H . . . 2 2 28 28 GLN HA H . . . . . 3.0 1.8 3.5 . . . . . B . 29 GLN H . . B . 29 GLN HA . b . 29 . HN . . . b . 29 . HA . . rr_1a93 3
127 1 OR . 2 2 28 28 GLN H H . . . 2 2 28 28 GLN HB2 H . . . . . 3.0 1.8 4.0 . . . . . B . 29 GLN H . . B . 29 GLN HB2 . b . 29 . HN . . . b . 29 . HB* . . rr_1a93 3
127 2 OR . 2 2 28 28 GLN H H . . . 2 2 28 28 GLN HB3 H . . . . . 3.0 1.8 4.0 . . . . . B . 29 GLN H . . B . 29 GLN HB3 . b . 29 . HN . . . b . 29 . HB* . . rr_1a93 3
128 1 . . 2 2 29 29 GLN H H . . . 2 2 29 29 GLN HA H . . . . . 3.0 1.8 3.5 . . . . . B . 30 GLN H . . B . 30 GLN HA . b . 30 . HN . . . b . 30 . HA . . rr_1a93 3
129 1 . . 2 2 30 30 VAL H H . . . 2 2 30 30 VAL HA H . . . . . 3.0 1.8 3.5 . . . . . B . 31 VAL H . . B . 31 VAL HA . b . 31 . HN . . . b . 31 . HA . . rr_1a93 3
130 1 . . 2 2 30 30 VAL H H . . . 2 2 30 30 VAL HB H . . . . . 2.5 1.8 3.0 . . . . . B . 31 VAL H . . B . 31 VAL HB . b . 31 . HN . . . b . 31 . HB . . rr_1a93 3
131 1 . . 2 2 30 30 VAL H H . . . 2 2 30 30 VAL MG2 H . . . . . 3.0 1.8 4.0 . . . . . B . 31 VAL H . . B . 31 VAL MG2 . b . 31 . HN . . . b . 31 . HG2* . . rr_1a93 3
132 1 . . 2 2 30 30 VAL H H . . . 2 2 30 30 VAL MG1 H . . . . . 4.5 2.8 5.5 . . . . . B . 31 VAL H . . B . 31 VAL MG1 . b . 31 . HN . . . b . 31 . HG1* . . rr_1a93 3
133 1 . . 2 2 30 30 VAL HA H . . . 2 2 30 30 VAL MG2 H . . . . . 2.8 1.8 3.8 . . . . . B . 31 VAL HA . . B . 31 VAL MG2 . b . 31 . HA . . . b . 31 . HG2* . . rr_1a93 3
134 1 . . 2 2 30 30 VAL HA H . . . 2 2 30 30 VAL MG1 H . . . . . 2.8 1.8 3.8 . . . . . B . 31 VAL HA . . B . 31 VAL MG1 . b . 31 . HA . . . b . 31 . HG1* . . rr_1a93 3
135 1 . . 2 2 31 31 ARG H H . . . 2 2 31 31 ARG HA H . . . . . 3.0 1.8 3.5 . . . . . B . 32 ARG H . . B . 32 ARG HA . b . 32 . HN . . . b . 32 . HA . . rr_1a93 3
136 1 . . 2 2 32 32 ALA H H . . . 2 2 32 32 ALA HA H . . . . . 2.8 1.8 3.3 . . . . . B . 33 ALA H . . B . 33 ALA HA . b . 33 . HN . . . b . 33 . HA . . rr_1a93 3
137 1 . . 2 2 32 32 ALA H H . . . 2 2 32 32 ALA MB H . . . . . 3.0 1.8 4.0 . . . . . B . 33 ALA H . . B . 33 ALA MB . b . 33 . HN . . . b . 33 . HB* . . rr_1a93 3
138 1 . . 2 2 33 33 LEU H H . . . 2 2 33 33 LEU HA H . . . . . 3.0 1.8 4.0 . . . . . B . 34 LEU H . . B . 34 LEU HA . b . 34 . HN . . . b . 34 . HA . . rr_1a93 3
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
;a.3.1 Intraresidue: intramonomer a
Val-6
;
1 1 3 8 rr_1a93 3
2 "Gln-7 No Chi-1 set for this residue. I cannot see this on exp9, h2o NOESY." 10 1 10 77 rr_1a93 3
3 "Ala-8 Chi-1 N/A" 13 1 13 18 rr_1a93 3
4
;Glu-9 No Chi-1 set for this residue.
Glu-10 No Chi-1 set for this residue.
Can see potential HN/HA, but no HN/HB signals
;
16 1 19 48 rr_1a93 3
5
;Gln-11 No Chi-1 set for this residue. HA shift may be wrong.
Lys-12 No Chi-1 set for this residue. Bad region. Hard to assign anything here with any certainty.
Leu-13 Chi-1 set to -60
;
22 1 26 25 rr_1a93 3
6 "Ile-14 Chi-1 set to -60" 32 1 32 25 rr_1a93 3
7 Ser-15 39 1 39 8 rr_1a93 3
8
;Glu-16
Glu-17
Asp-18 No Chi-1 set for this residue. HN/HB NOES and HA/HB NOES both strong. Good sign of disordered.
;
42 1 44 103 rr_1a93 3
9 "Leu-19 No Chi-1 set for this residue. Cannot see HN-HB NOES at 150ms. Ovlp." 47 1 47 77 rr_1a93 3
10 "Leu-20 Chi-1 set to -60" 50 1 50 25 rr_1a93 3
11 "Arg-21 No Chi-1 set for this resdiue." 56 1 56 39 rr_1a93 3
12
;Lys-22
Arg-23
;
60 1 61 8 rr_1a93 3
13 "Arg-24 No Chi-1 set." 65 1 65 22 rr_1a93 3
14 "Glu-25 No Chi-1 set." 69 1 69 22 rr_1a93 3
15 "Gln-26 No Chi-1 set." 74 1 74 22 rr_1a93 3
16 "Leu-27 Chi-1 set to -60." 80 1 80 26 rr_1a93 3
17
;Lys-28 Not assigned.
His-29 Strong HN-HB* and HA-HB*. May be disordered. Bh's degenerate, adds to problem!!
;
86 1 88 88 rr_1a93 3
18
;Lys-30
Leu-31 Looks fixed. May be -60. Setting as if -60.
;
94 1 96 52 rr_1a93 3
19 Glu-32 101 1 101 8 rr_1a93 3
20 Gln-33 104 1 104 8 rr_1a93 3
21
;Leu-34
assign ( resid 34 and name HN and segid "a" )( resid 34 and name HB1 and segid "a" ) 3.5 1.7 1.0
assign ( resid 34 and name HN and segid "a" )( resid 34 and name HB2 and segid "a" ) 3.5 1.7 1.0
;
108 1 110 98 rr_1a93 3
22
;a.3.2. Intraresidue: intramonomer b
Asn-10 Chi-1 set to -60 for this residue
;
115 1 117 42 rr_1a93 3
23
;Asp-11 No Chi-1 set for this residue.
HN,HA to HB NOEs look of similar intensity, cannot pin a conformation.
;
129 1 130 72 rr_1a93 3
24 "Thr-12 No Chi-1 set for this residue." 133 1 133 39 rr_1a93 3
25
;assign ( resid 12 and name HA and segid "b" )( resid 12 and name HB and segid "b" ) 3.0 1.2 0.5
His-13 Chi-1 set to -60 for this residue.
;
138 1 140 43 rr_1a93 3
26 "Gln-14 No Chi-1 set for this residue." 151 1 151 40 rr_1a93 3
27 "Gln-15 No Chi-1 set for this residue. Missing bH assignments" 154 1 154 63 rr_1a93 3
28 "Asp-16 Chi-1 set to 180 for this residue. HA-HB NOES poorly resolved?" 157 1 157 73 rr_1a93 3
29 "Ile-17 Chi-1 set to -60 for this residue. I cannot see an NOE pattern to confirm this." 162 1 162 89 rr_1a93 3
30 "Asp-18 No Chi-1 set for this residue. I am setting to -60" 165 1 165 60 rr_1a93 3
31 "Asp-19 Chi-1 set to 180 for this residue." 172 1 172 44 rr_1a93 3
32 "Leu-20 Chi-1 set to -60 for this residue." 176 1 176 44 rr_1a93 3
33 "Lys-21 No Chi-1 set for this residue." 184 1 184 40 rr_1a93 3
34 "Arg-22 No Chi-1 set for this residue. Maybe Chi-1 -60?" 190 1 190 57 rr_1a93 3
35 "Gln-23 No Chi-1 set for this residue." 196 1 196 40 rr_1a93 3
36 "Asn-24 Chi-1 set to -60 for this residue" 201 1 201 43 rr_1a93 3
37 "Ala-25 Chi-1 N/A" 213 1 213 19 rr_1a93 3
38 "Leu-26 No Chi-1 set for this residue. HBs same as xLeu29. Is this correct??" 217 1 217 78 rr_1a93 3
39 Leu-27 220 1 220 9 rr_1a93 3
40 "Glu-28 No Chi-1 set for this residue. However it appears fixed. 180 in model." 227 1 227 81 rr_1a93 3
41 "Gln-29 No Chi-1 set for this residue." 234 1 234 40 rr_1a93 3
42 "Gln-30 No Chi-1 set for this residue." 238 1 238 40 rr_1a93 3
43 "Val-31 No Chi-1 set for this residue. Maybe fixed to -60. -60 in model." 241 1 241 74 rr_1a93 3
44 "Arg-32 No Chi-1 set for this residue." 249 1 249 40 rr_1a93 3
45 Ala-33 252 1 252 9 rr_1a93 3
46
;Leu-34
assign ( resid 34 and name HN and segid "b" )( resid 34 and name HB1 and segid "b" ) 3.5 1.7 1.0
assign ( resid 34 and name HN and segid "b" )( resid 34 and name HB2 and segid "b" ) 3.5 1.7 1.0
;
256 1 258 98 rr_1a93 3
stop_
save_
save_CNS/XPLOR_distance_constraints_8
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_8
_Gen_dist_constraint_list.Entry_ID rr_1a93
_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 8
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_1a93 4
stop_
loop_
_Gen_dist_constraint.ID
_Gen_dist_constraint.Member_ID
_Gen_dist_constraint.Member_logic_code
_Gen_dist_constraint.Assembly_atom_ID_1
_Gen_dist_constraint.Entity_assembly_ID_1
_Gen_dist_constraint.Entity_ID_1
_Gen_dist_constraint.Comp_index_ID_1
_Gen_dist_constraint.Seq_ID_1
_Gen_dist_constraint.Comp_ID_1
_Gen_dist_constraint.Atom_ID_1
_Gen_dist_constraint.Atom_type_1
_Gen_dist_constraint.Atom_isotope_number_1
_Gen_dist_constraint.Resonance_ID_1
_Gen_dist_constraint.Assembly_atom_ID_2
_Gen_dist_constraint.Entity_assembly_ID_2
_Gen_dist_constraint.Entity_ID_2
_Gen_dist_constraint.Comp_index_ID_2
_Gen_dist_constraint.Seq_ID_2
_Gen_dist_constraint.Comp_ID_2
_Gen_dist_constraint.Atom_ID_2
_Gen_dist_constraint.Atom_type_2
_Gen_dist_constraint.Atom_isotope_number_2
_Gen_dist_constraint.Resonance_ID_2
_Gen_dist_constraint.Intensity_val
_Gen_dist_constraint.Intensity_lower_val_err
_Gen_dist_constraint.Intensity_upper_val_err
_Gen_dist_constraint.Distance_val
_Gen_dist_constraint.Distance_lower_bound_val
_Gen_dist_constraint.Distance_upper_bound_val
_Gen_dist_constraint.Contribution_fractional_val
_Gen_dist_constraint.Spectral_peak_ID
_Gen_dist_constraint.Spectral_peak_list_ID
_Gen_dist_constraint.PDB_record_ID_1
_Gen_dist_constraint.PDB_model_num_1
_Gen_dist_constraint.PDB_strand_ID_1
_Gen_dist_constraint.PDB_ins_code_1
_Gen_dist_constraint.PDB_residue_no_1
_Gen_dist_constraint.PDB_residue_name_1
_Gen_dist_constraint.PDB_atom_name_1
_Gen_dist_constraint.PDB_record_ID_2
_Gen_dist_constraint.PDB_model_num_2
_Gen_dist_constraint.PDB_strand_ID_2
_Gen_dist_constraint.PDB_ins_code_2
_Gen_dist_constraint.PDB_residue_no_2
_Gen_dist_constraint.PDB_residue_name_2
_Gen_dist_constraint.PDB_atom_name_2
_Gen_dist_constraint.Auth_entity_assembly_ID_1
_Gen_dist_constraint.Auth_asym_ID_1
_Gen_dist_constraint.Auth_chain_ID_1
_Gen_dist_constraint.Auth_seq_ID_1
_Gen_dist_constraint.Auth_comp_ID_1
_Gen_dist_constraint.Auth_atom_ID_1
_Gen_dist_constraint.Auth_alt_ID_1
_Gen_dist_constraint.Auth_atom_name_1
_Gen_dist_constraint.Auth_entity_assembly_ID_2
_Gen_dist_constraint.Auth_asym_ID_2
_Gen_dist_constraint.Auth_chain_ID_2
_Gen_dist_constraint.Auth_seq_ID_2
_Gen_dist_constraint.Auth_comp_ID_2
_Gen_dist_constraint.Auth_atom_ID_2
_Gen_dist_constraint.Auth_alt_ID_2
_Gen_dist_constraint.Auth_atom_name_2
_Gen_dist_constraint.Entry_ID
_Gen_dist_constraint.Gen_dist_constraint_list_ID
1 1 OR . 2 2 9 9 ASN HA H . . . 1 1 12 12 LEU HB3 H . . . . . 4.5 1.8 5.0 . . . . . B . 10 ASN HA . . A . 13 LEU HB3 . b . 10 . HA . . . a . 13 . HB* . . rr_1a93 4
1 2 OR . 2 2 9 9 ASN HA H . . . 1 1 12 12 LEU HB2 H . . . . . 4.5 1.8 5.0 . . . . . B . 10 ASN HA . . A . 13 LEU HB2 . b . 10 . HA . . . a . 13 . HB* . . rr_1a93 4
2 1 . . 2 2 9 9 ASN HA H . . . 1 1 12 12 LEU MD1 H . . . . . 3.5 1.8 5.0 . . . . . B . 10 ASN HA . . A . 13 LEU MD1 . b . 10 . HA . . . a . 13 . HD1* . . rr_1a93 4
3 1 . . 1 1 12 12 LEU MD1 H . . . 2 2 9 9 ASN HB3 H . . . . . 3.5 1.8 4.0 . . . . . A . 13 LEU MD1 . . B . 10 ASN HB3 . a . 13 . HD1* . . . b . 10 . HB1 . . rr_1a93 4
4 1 . . 1 1 12 12 LEU MD1 H . . . 2 2 9 9 ASN HB3 H . . . . . 4.5 1.8 5.0 . . . . . A . 13 LEU MD1 . . B . 10 ASN HB3 . a . 13 . HD1* . . . b . 10 . HB1 . . rr_1a93 4
5 1 . . 1 1 9 9 GLU HA H . . . 2 2 9 9 ASN HD22 H . . . . . 3.5 1.8 5.0 . . . . . A . 10 GLU HA . . B . 10 ASN HD22 . a . 10 . HA . . . b . 10 . HD22 . . rr_1a93 4
6 1 OR . 2 2 9 9 ASN HD21 H . . . 1 1 5 5 VAL MG2 H . . . . . 2.8 1.8 5.2 . . . . . B . 10 ASN HD21 . . A . 6 VAL MG2 . b . 10 . HD21 . . . a . 6 . HG* . . rr_1a93 4
6 2 OR . 2 2 9 9 ASN HD21 H . . . 1 1 5 5 VAL MG1 H . . . . . 2.8 1.8 5.2 . . . . . B . 10 ASN HD21 . . A . 6 VAL MG1 . b . 10 . HD21 . . . a . 6 . HG* . . rr_1a93 4
7 1 . . 1 1 12 12 LEU MD1 H . . . 2 2 9 9 ASN HD21 H . . . . . 4.5 1.8 5.5 . . . . . A . 13 LEU MD1 . . B . 10 ASN HD21 . a . 13 . HD1* . . . b . 10 . HD21 . . rr_1a93 4
8 1 OR . 2 2 9 9 ASN HD22 H . . . 1 1 5 5 VAL MG2 H . . . . . 2.8 1.8 5.2 . . . . . B . 10 ASN HD22 . . A . 6 VAL MG2 . b . 10 . HD22 . . . a . 6 . HG* . . rr_1a93 4
8 2 OR . 2 2 9 9 ASN HD22 H . . . 1 1 5 5 VAL MG1 H . . . . . 2.8 1.8 5.2 . . . . . B . 10 ASN HD22 . . A . 6 VAL MG1 . b . 10 . HD22 . . . a . 6 . HG* . . rr_1a93 4
9 1 OR . 2 2 9 9 ASN HD21 H . . . 1 1 8 8 GLU HB2 H . . . . . 4.5 1.8 5.5 . . . . . B . 10 ASN HD21 . . A . 9 GLU HB2 . b . 10 . HD21 . . . a . 9 . HB* . . rr_1a93 4
9 2 OR . 1 1 8 8 GLU HB3 H . . . 2 2 9 9 ASN HD21 H . . . . . 4.5 1.8 5.5 . . . . . A . 9 GLU HB3 . . B . 10 ASN HD21 . a . 9 . HB* . . . b . 10 . HD21 . . rr_1a93 4
10 1 OR . 2 2 9 9 ASN HD22 H . . . 1 1 8 8 GLU HG2 H . . . . . 4.5 1.8 5.5 . . . . . B . 10 ASN HD22 . . A . 9 GLU HG2 . b . 10 . HD22 . . . a . 9 . HG* . . rr_1a93 4
10 2 OR . 2 2 9 9 ASN HD22 H . . . 1 1 8 8 GLU HG3 H . . . . . 4.5 1.8 5.5 . . . . . B . 10 ASN HD22 . . A . 9 GLU HG3 . b . 10 . HD22 . . . a . 9 . HG* . . rr_1a93 4
11 1 OR . 2 2 9 9 ASN HD22 H . . . 1 1 9 9 GLU HG2 H . . . . . 4.5 1.8 5.5 . . . . . B . 10 ASN HD22 . . A . 10 GLU HG2 . b . 10 . HD22 . . . a . 10 . HG* . . rr_1a93 4
11 2 OR . 1 1 9 9 GLU HG3 H . . . 2 2 9 9 ASN HD22 H . . . . . 4.5 1.8 5.5 . . . . . A . 10 GLU HG3 . . B . 10 ASN HD22 . a . 10 . HG* . . . b . 10 . HD22 . . rr_1a93 4
12 1 . . 2 2 13 13 GLN H H . . . 1 1 12 12 LEU MD2 H . . . . . 3.5 1.8 4.5 . . . . . B . 14 GLN H . . A . 13 LEU MD2 . b . 14 . HN . . . a . 13 . HD2* . . rr_1a93 4
13 1 . . 1 1 13 13 ILE MG H . . . 2 2 12 12 HIS HE1 H . . . . . 3.5 1.8 4.5 . . . . . A . 14 ILE MG . . B . 13 HIS HE1 . a . 14 . HG2* . . . b . 13 . HE1 . . rr_1a93 4
14 1 . . 1 1 13 13 ILE MD H . . . 2 2 12 12 HIS HE1 H . . . . . 3.5 1.8 4.5 . . . . . A . 14 ILE MD . . B . 13 HIS HE1 . a . 14 . HD1* . . . b . 13 . HE1 . . rr_1a93 4
15 1 . . 1 1 13 13 ILE HA H . . . 2 2 12 12 HIS HE1 H . . . . . 4.0 1.8 4.5 . . . . . A . 14 ILE HA . . B . 13 HIS HE1 . a . 14 . HA . . . b . 13 . HE1 . . rr_1a93 4
16 1 OR . 2 2 12 12 HIS HE1 H . . . 1 1 13 13 ILE HG12 H . . . . . 3.5 1.8 4.0 . . . . . B . 13 HIS HE1 . . A . 14 ILE HG12 . b . 13 . HE1 . . . a . 14 . HG1* . . rr_1a93 4
16 2 OR . 1 1 13 13 ILE HG13 H . . . 2 2 12 12 HIS HE1 H . . . . . 3.5 1.8 4.0 . . . . . A . 14 ILE HG13 . . B . 13 HIS HE1 . a . 14 . HG1* . . . b . 13 . HE1 . . rr_1a93 4
17 1 . . 1 1 12 12 LEU HB3 H . . . 2 2 12 12 HIS HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 13 LEU HB3 . . B . 13 HIS HB3 . a . 13 . HB1 . . . b . 13 . HB1 . . rr_1a93 4
18 1 . . 1 1 12 12 LEU HB2 H . . . 2 2 12 12 HIS HB3 H . . . . . 4.0 1.8 4.5 . . . . . A . 13 LEU HB2 . . B . 13 HIS HB3 . a . 13 . HB2 . . . b . 13 . HB1 . . rr_1a93 4
19 1 . . 2 2 12 12 HIS HB2 H . . . 1 1 12 12 LEU HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 13 HIS HB2 . . A . 13 LEU HB3 . b . 13 . HB2 . . . a . 13 . HB1 . . rr_1a93 4
20 1 . . 2 2 12 12 HIS HB2 H . . . 1 1 12 12 LEU HB2 H . . . . . 4.0 1.8 4.5 . . . . . B . 13 HIS HB2 . . A . 13 LEU HB2 . b . 13 . HB2 . . . a . 13 . HB2 . . rr_1a93 4
21 1 . . 1 1 12 12 LEU MD1 H . . . 2 2 12 12 HIS HB3 H . . . . . 3.5 1.8 4.5 . . . . . A . 13 LEU MD1 . . B . 13 HIS HB3 . a . 13 . HD1* . . . b . 13 . HB1 . . rr_1a93 4
22 1 . . 1 1 12 12 LEU MD2 H . . . 2 2 12 12 HIS HB3 H . . . . . 4.5 1.8 5.5 . . . . . A . 13 LEU MD2 . . B . 13 HIS HB3 . a . 13 . HD2* . . . b . 13 . HB1 . . rr_1a93 4
23 1 . . 1 1 12 12 LEU MD1 H . . . 2 2 12 12 HIS HB2 H . . . . . 3.5 1.8 4.5 . . . . . A . 13 LEU MD1 . . B . 13 HIS HB2 . a . 13 . HD1* . . . b . 13 . HB2 . . rr_1a93 4
24 1 . . 2 2 12 12 HIS HD2 H . . . 1 1 12 12 LEU MD1 H . . . . . 3.5 1.8 4.5 . . . . . B . 13 HIS HD2 . . A . 13 LEU MD1 . b . 13 . HD2 . . . a . 13 . HD1* . . rr_1a93 4
25 1 . . 2 2 12 12 HIS HD2 H . . . 1 1 12 12 LEU HB3 H . . . . . 4.0 1.8 4.5 . . . . . B . 13 HIS HD2 . . A . 13 LEU HB3 . b . 13 . HD2 . . . a . 13 . HB1 . . rr_1a93 4
26 1 . . 2 2 12 12 HIS HD2 H . . . 1 1 12 12 LEU HB2 H . . . . . 3.5 1.8 4.0 . . . . . B . 13 HIS HD2 . . A . 13 LEU HB2 . b . 13 . HD2 . . . a . 13 . HB2 . . rr_1a93 4
27 1 . . 1 1 9 9 GLU HG3 H . . . 2 2 12 12 HIS HD2 H . . . . . 3.5 1.8 4.5 . . . . . A . 10 GLU HG3 . . B . 13 HIS HD2 . a . 10 . HG1 . . . b . 13 . HD2 . . rr_1a93 4
28 1 . . 2 2 12 12 HIS HD2 H . . . 1 1 9 9 GLU HG2 H . . . . . 3.5 1.8 4.5 . . . . . B . 13 HIS HD2 . . A . 10 GLU HG2 . b . 13 . HD2 . . . a . 10 . HG2 . . rr_1a93 4
29 1 OR . 2 2 12 12 HIS HD2 H . . . 1 1 9 9 GLU HB2 H . . . . . 4.3 3.1 4.8 . . . . . B . 13 HIS HD2 . . A . 10 GLU HB2 . b . 13 . HD2 . . . a . 10 . HB* . . rr_1a93 4
29 2 OR . 1 1 9 9 GLU HB3 H . . . 2 2 12 12 HIS HD2 H . . . . . 4.3 3.1 4.8 . . . . . A . 10 GLU HB3 . . B . 13 HIS HD2 . a . 10 . HB* . . . b . 13 . HD2 . . rr_1a93 4
30 1 . . 1 1 9 9 GLU HA H . . . 2 2 12 12 HIS HD2 H . . . . . 4.0 1.8 4.5 . . . . . A . 10 GLU HA . . B . 13 HIS HD2 . a . 10 . HA . . . b . 13 . HD2 . . rr_1a93 4
31 1 . . 2 2 13 13 GLN H H . . . 1 1 12 12 LEU MD2 H . . . . . 3.5 2.3 4.3 . . . . . B . 14 GLN H . . A . 13 LEU MD2 . b . 14 . HN . . . a . 13 . HD2* . . rr_1a93 4
32 1 . . 2 2 13 13 GLN H H . . . 1 1 12 12 LEU MD1 H . . . . . 3.5 2.3 4.3 . . . . . B . 14 GLN H . . A . 13 LEU MD1 . b . 14 . HN . . . a . 13 . HD1* . . rr_1a93 4
33 1 . . 2 2 16 16 ILE HA H . . . 1 1 19 19 LEU MD1 H . . . . . 3.5 1.8 4.5 . . . . . B . 17 ILE HA . . A . 20 LEU MD1 . b . 17 . HA . . . a . 20 . HD1* . . rr_1a93 4
34 1 . . 1 1 16 16 GLU HA H . . . 2 2 16 16 ILE HA H . . . . . 4.5 1.8 5.0 . . . . . A . 17 GLU HA . . B . 17 ILE HA . a . 17 . HA . . . b . 17 . HA . . rr_1a93 4
35 1 OR . 2 2 19 19 LEU MD1 H . . . 1 1 20 20 ARG HD2 H . . . . . 4.5 1.8 5.5 . . . . . B . 20 LEU MD1 . . A . 21 ARG HD2 . b . 20 . HD1* . . . a . 21 . HD* . . rr_1a93 4
35 2 OR . 1 1 20 20 ARG HD3 H . . . 2 2 19 19 LEU MD1 H . . . . . 4.5 1.8 5.5 . . . . . A . 21 ARG HD3 . . B . 20 LEU MD1 . a . 21 . HD* . . . b . 20 . HD1* . . rr_1a93 4
36 1 . . 1 1 20 20 ARG H H . . . 2 2 19 19 LEU MD2 H . . . . . 4.5 1.8 5.5 . . . . . A . 21 ARG H . . B . 20 LEU MD2 . a . 21 . HN . . . b . 20 . HD2* . . rr_1a93 4
37 1 . . 2 2 20 20 LYS H H . . . 1 1 19 19 LEU MD2 H . . . . . 4.0 1.8 5.0 . . . . . B . 21 LYS H . . A . 20 LEU MD2 . b . 21 . HN . . . a . 20 . HD2* . . rr_1a93 4
38 1 . . 2 2 20 20 LYS H H . . . 1 1 19 19 LEU MD1 H . . . . . 4.0 1.8 5.0 . . . . . B . 21 LYS H . . A . 20 LEU MD1 . b . 21 . HN . . . a . 20 . HD1* . . rr_1a93 4
39 1 . . 2 2 20 20 LYS HA H . . . 1 1 19 19 LEU MD2 H . . . . . 4.0 1.8 5.0 . . . . . B . 21 LYS HA . . A . 20 LEU MD2 . b . 21 . HA . . . a . 20 . HD2* . . rr_1a93 4
40 1 OR . 1 1 19 19 LEU MD2 H . . . 2 2 20 20 LYS HE2 H . . . . . 4.5 1.8 5.5 . . . . . A . 20 LEU MD2 . . B . 21 LYS HE2 . a . 20 . HD2* . . . b . 21 . HE* . . rr_1a93 4
40 2 OR . 2 2 20 20 LYS HE3 H . . . 1 1 19 19 LEU MD2 H . . . . . 4.5 1.8 5.5 . . . . . B . 21 LYS HE3 . . A . 20 LEU MD2 . b . 21 . HE* . . . a . 20 . HD2* . . rr_1a93 4
41 1 OR . 1 1 19 19 LEU MD1 H . . . 2 2 20 20 LYS HE2 H . . . . . 4.5 1.8 5.5 . . . . . A . 20 LEU MD1 . . B . 21 LYS HE2 . a . 20 . HD1* . . . b . 21 . HE* . . rr_1a93 4
41 2 OR . 2 2 20 20 LYS HE3 H . . . 1 1 19 19 LEU MD1 H . . . . . 4.5 1.8 5.5 . . . . . B . 21 LYS HE3 . . A . 20 LEU MD1 . b . 21 . HE* . . . a . 20 . HD1* . . rr_1a93 4
42 1 . . 2 2 23 23 ASN HA H . . . 1 1 26 26 LEU MD1 H . . . . . 3.5 1.8 4.5 . . . . . B . 24 ASN HA . . A . 27 LEU MD1 . b . 24 . HA . . . a . 27 . HD1* . . rr_1a93 4
43 1 . . 2 2 23 23 ASN HB3 H . . . 1 1 26 26 LEU MD1 H . . . . . 3.5 1.8 4.5 . . . . . B . 24 ASN HB3 . . A . 27 LEU MD1 . b . 24 . HB1 . . . a . 27 . HD1* . . rr_1a93 4
44 1 . . 1 1 23 23 ARG HA H . . . 2 2 23 23 ASN HD22 H . . . . . 4.0 1.8 4.5 . . . . . A . 24 ARG HA . . B . 24 ASN HD22 . a . 24 . HA . . . b . 24 . HD22 . . rr_1a93 4
45 1 . . 1 1 19 19 LEU HA H . . . 2 2 23 23 ASN HD22 H . . . . . 4.0 1.8 4.5 . . . . . A . 20 LEU HA . . B . 24 ASN HD22 . a . 20 . HA . . . b . 24 . HD22 . . rr_1a93 4
46 1 . . 1 1 23 23 ARG HB3 H . . . 2 2 23 23 ASN HD22 H . . . . . 4.0 1.8 4.5 . . . . . A . 24 ARG HB3 . . B . 24 ASN HD22 . a . 24 . HB1 . . . b . 24 . HD22 . . rr_1a93 4
47 1 . . 2 2 23 23 ASN HD22 H . . . 1 1 23 23 ARG HB2 H . . . . . 4.0 1.8 4.5 . . . . . B . 24 ASN HD22 . . A . 24 ARG HB2 . b . 24 . HD22 . . . a . 24 . HB2 . . rr_1a93 4
48 1 OR . 2 2 23 23 ASN HD22 H . . . 1 1 22 22 ARG HB2 H . . . . . 3.5 1.8 4.0 . . . . . B . 24 ASN HD22 . . A . 23 ARG HB2 . b . 24 . HD22 . . . a . 23 . HB* . . rr_1a93 4
48 2 OR . 1 1 22 22 ARG HB3 H . . . 2 2 23 23 ASN HD22 H . . . . . 3.5 1.8 4.0 . . . . . A . 23 ARG HB3 . . B . 24 ASN HD22 . a . 23 . HB* . . . b . 24 . HD22 . . rr_1a93 4
49 1 OR . 2 2 23 23 ASN HD21 H . . . 1 1 22 22 ARG HB2 H . . . . . 3.5 1.8 4.0 . . . . . B . 24 ASN HD21 . . A . 23 ARG HB2 . b . 24 . HD21 . . . a . 23 . HB* . . rr_1a93 4
49 2 OR . 1 1 22 22 ARG HB3 H . . . 2 2 23 23 ASN HD21 H . . . . . 3.5 1.8 4.0 . . . . . A . 23 ARG HB3 . . B . 24 ASN HD21 . a . 23 . HB* . . . b . 24 . HD21 . . rr_1a93 4
50 1 . . 1 1 23 23 ARG H H . . . 2 2 23 23 ASN HD21 H . . . . . 3.5 1.8 4.0 . . . . . A . 24 ARG H . . B . 24 ASN HD21 . a . 24 . HN . . . b . 24 . HD21 . . rr_1a93 4
51 1 . . 1 1 23 23 ARG H H . . . 2 2 23 23 ASN HD22 H . . . . . 3.5 1.8 4.0 . . . . . A . 24 ARG H . . B . 24 ASN HD22 . a . 24 . HN . . . b . 24 . HD22 . . rr_1a93 4
52 1 . . 2 2 23 23 ASN HD22 H . . . 1 1 19 19 LEU MD2 H . . . . . 3.5 1.8 4.5 . . . . . B . 24 ASN HD22 . . A . 20 LEU MD2 . b . 24 . HD22 . . . a . 20 . HD2* . . rr_1a93 4
53 1 . . 2 2 23 23 ASN HD21 H . . . 1 1 19 19 LEU MD2 H . . . . . 2.8 1.8 3.8 . . . . . B . 24 ASN HD21 . . A . 20 LEU MD2 . b . 24 . HD21 . . . a . 20 . HD2* . . rr_1a93 4
54 1 . . 1 1 23 23 ARG HA H . . . 2 2 23 23 ASN HD21 H . . . . . 4.0 1.8 4.5 . . . . . A . 24 ARG HA . . B . 24 ASN HD21 . a . 24 . HA . . . b . 24 . HD21 . . rr_1a93 4
55 1 . . 1 1 19 19 LEU HA H . . . 2 2 23 23 ASN HD21 H . . . . . 4.0 1.8 4.5 . . . . . A . 20 LEU HA . . B . 24 ASN HD21 . a . 20 . HA . . . b . 24 . HD21 . . rr_1a93 4
56 1 . . 1 1 19 19 LEU HB3 H . . . 2 2 23 23 ASN HD22 H . . . . . 3.5 1.8 4.0 . . . . . A . 20 LEU HB3 . . B . 24 ASN HD22 . a . 20 . HB1 . . . b . 24 . HD22 . . rr_1a93 4
57 1 . . 1 1 19 19 LEU HB3 H . . . 2 2 23 23 ASN HD21 H . . . . . 3.5 1.8 4.0 . . . . . A . 20 LEU HB3 . . B . 24 ASN HD21 . a . 20 . HB1 . . . b . 24 . HD21 . . rr_1a93 4
58 1 . . 2 2 23 23 ASN HA H . . . 1 1 23 23 ARG HA H . . . . . 4.5 1.8 5.0 . . . . . B . 24 ASN HA . . A . 24 ARG HA . b . 24 . HA . . . a . 24 . HA . . rr_1a93 4
59 1 . . 2 2 23 23 ASN HB2 H . . . 1 1 26 26 LEU MD1 H . . . . . 3.5 1.8 4.5 . . . . . B . 24 ASN HB2 . . A . 27 LEU MD1 . b . 24 . HB2 . . . a . 27 . HD1* . . rr_1a93 4
60 1 OR . 2 2 23 23 ASN HD21 H . . . 1 1 22 22 ARG HG2 H . . . . . 4.0 1.8 5.0 . . . . . B . 24 ASN HD21 . . A . 23 ARG HG2 . b . 24 . HD21 . . . a . 23 . HG* . . rr_1a93 4
60 2 OR . 2 2 23 23 ASN HD21 H . . . 1 1 22 22 ARG HG3 H . . . . . 4.0 1.8 5.0 . . . . . B . 24 ASN HD21 . . A . 23 ARG HG3 . b . 24 . HD21 . . . a . 23 . HG* . . rr_1a93 4
61 1 OR . 2 2 19 19 LEU MD2 H . . . 1 1 23 23 ARG HD2 H . . . . . 4.0 2.8 4.5 . . . . . B . 20 LEU MD2 . . A . 24 ARG HD2 . b . 20 . HD2* . . . a . 24 . HD* . . rr_1a93 4
61 2 OR . 2 2 19 19 LEU MD2 H . . . 1 1 23 23 ARG HD3 H . . . . . 4.0 2.8 4.5 . . . . . B . 20 LEU MD2 . . A . 24 ARG HD3 . b . 20 . HD2* . . . a . 24 . HD* . . rr_1a93 4
62 1 OR . 2 2 19 19 LEU HA H . . . 1 1 23 23 ARG HD2 H . . . . . 4.2 3.0 4.7 . . . . . B . 20 LEU HA . . A . 24 ARG HD2 . b . 20 . HA . . . a . 24 . HD* . . rr_1a93 4
62 2 OR . 2 2 19 19 LEU HA H . . . 1 1 23 23 ARG HD3 H . . . . . 4.2 3.0 4.7 . . . . . B . 20 LEU HA . . A . 24 ARG HD3 . b . 20 . HA . . . a . 24 . HD* . . rr_1a93 4
63 1 . . 2 2 19 19 LEU HA H . . . 1 1 23 23 ARG HE H . . . . . 4.5 3.3 5.0 . . . . . B . 20 LEU HA . . A . 24 ARG HE . b . 20 . HA . . . a . 24 . HE . . rr_1a93 4
64 1 . . 2 2 27 27 GLU H H . . . 1 1 26 26 LEU MD2 H . . . . . 4.5 3.3 5.3 . . . . . B . 28 GLU H . . A . 27 LEU MD2 . b . 28 . HN . . . a . 27 . HD2* . . rr_1a93 4
65 1 . . 2 2 27 27 GLU H H . . . 1 1 26 26 LEU MD1 H . . . . . 4.5 3.3 5.3 . . . . . B . 28 GLU H . . A . 27 LEU MD1 . b . 28 . HN . . . a . 27 . HD1* . . rr_1a93 4
66 1 . . 2 2 27 27 GLU HA H . . . 1 1 26 26 LEU MD2 H . . . . . 3.5 2.3 4.3 . . . . . B . 28 GLU HA . . A . 27 LEU MD2 . b . 28 . HA . . . a . 27 . HD2* . . rr_1a93 4
67 1 . . 2 2 27 27 GLU HA H . . . 1 1 26 26 LEU MD1 H . . . . . 4.5 3.3 5.3 . . . . . B . 28 GLU HA . . A . 27 LEU MD1 . b . 28 . HA . . . a . 27 . HD1* . . rr_1a93 4
68 1 . . 1 1 30 30 LEU H H . . . 2 2 30 30 VAL MG2 H . . . . . 4.5 2.3 5.3 . . . . . A . 31 LEU H . . B . 31 VAL MG2 . a . 31 . HN . . . b . 31 . HG2* . . rr_1a93 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
;b. INTERMONOMER NOEs (Dimer contacts)
asn-10
;
1 1 4 8 rr_1a93 4
2 cLeu-13 18 1 18 9 rr_1a93 4
3 His-13 22 1 22 8 rr_1a93 4
4 xGln-14 44 1 44 9 rr_1a93 4
5 xIle-17 50 1 50 9 rr_1a93 4
6 cArg-21 54 1 54 9 rr_1a93 4
7 xLys-21 59 1 59 9 rr_1a93 4
8 xasn-24 67 1 67 9 rr_1a93 4
9
;cArg-23
cArg-24
;
90 1 94 9 rr_1a93 4
10
;xLeu-27
assign ( resid 27 and name HD1* and segid "b" )( resid 28 and name HN and segid "a" ) 3.5 1.2 0.5
xGlu-28
;
100 1 104 9 rr_1a93 4
11 xVal-31 111 1 111 9 rr_1a93 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 8 11 1 "Not handling restraint 11, item 1, resonance(s) 'a.10.HD1*' (nmrStar names) not linked" rr_1a93 4
stop_
save_
save_CNS/XPLOR_distance_constraints_10
_Gen_dist_constraint_list.Sf_category general_distance_constraints
_Gen_dist_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_10
_Gen_dist_constraint_list.Entry_ID rr_1a93
_Gen_dist_constraint_list.ID 5
_Gen_dist_constraint_list.Constraint_type "hydrogen bond"
_Gen_dist_constraint_list.Details "Generated by Wattos"
_Gen_dist_constraint_list.Constraint_file_ID 1
_Gen_dist_constraint_list.Block_ID 10
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_1a93 5
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 4 4 GLY O O . . . 1 1 8 8 GLU N N . . . . . 2.8 2.4 3.3 . . . . . A . 5 GLY O . . A . 9 GLU N . a . 5 . O . . . a . 9 . N . . rr_1a93 5
2 1 . . 1 1 5 5 VAL O O . . . 1 1 9 9 GLU N N . . . . . 2.8 2.4 3.3 . . . . . A . 6 VAL O . . A . 10 GLU N . a . 6 . O . . . a . 10 . N . . rr_1a93 5
3 1 . . 1 1 6 6 GLN O O . . . 1 1 10 10 GLN N N . . . . . 2.8 2.4 3.3 . . . . . A . 7 GLN O . . A . 11 GLN N . a . 7 . O . . . a . 11 . N . . rr_1a93 5
4 1 . . 1 1 7 7 ALA O O . . . 1 1 11 11 LYS N N . . . . . 2.8 2.4 3.3 . . . . . A . 8 ALA O . . A . 12 LYS N . a . 8 . O . . . a . 12 . N . . rr_1a93 5
5 1 . . 1 1 8 8 GLU O O . . . 1 1 12 12 LEU N N . . . . . 2.8 2.4 3.3 . . . . . A . 9 GLU O . . A . 13 LEU N . a . 9 . O . . . a . 13 . N . . rr_1a93 5
6 1 . . 1 1 9 9 GLU O O . . . 1 1 13 13 ILE N N . . . . . 2.8 2.4 3.3 . . . . . A . 10 GLU O . . A . 14 ILE N . a . 10 . O . . . a . 14 . N . . rr_1a93 5
7 1 . . 1 1 10 10 GLN O O . . . 1 1 14 14 SER N N . . . . . 2.8 2.4 3.3 . . . . . A . 11 GLN O . . A . 15 SER N . a . 11 . O . . . a . 15 . N . . rr_1a93 5
8 1 . . 1 1 11 11 LYS O O . . . 1 1 15 15 GLU N N . . . . . 2.8 2.4 3.3 . . . . . A . 12 LYS O . . A . 16 GLU N . a . 12 . O . . . a . 16 . N . . rr_1a93 5
9 1 . . 1 1 12 12 LEU O O . . . 1 1 16 16 GLU N N . . . . . 2.8 2.4 3.3 . . . . . A . 13 LEU O . . A . 17 GLU N . a . 13 . O . . . a . 17 . N . . rr_1a93 5
10 1 . . 1 1 13 13 ILE O O . . . 1 1 17 17 ASP N N . . . . . 2.8 2.4 3.3 . . . . . A . 14 ILE O . . A . 18 ASP N . a . 14 . O . . . a . 18 . N . . rr_1a93 5
11 1 . . 1 1 14 14 SER O O . . . 1 1 18 18 LEU N N . . . . . 2.8 2.4 3.3 . . . . . A . 15 SER O . . A . 19 LEU N . a . 15 . O . . . a . 19 . N . . rr_1a93 5
12 1 . . 1 1 15 15 GLU O O . . . 1 1 19 19 LEU N N . . . . . 2.8 2.4 3.3 . . . . . A . 16 GLU O . . A . 20 LEU N . a . 16 . O . . . a . 20 . N . . rr_1a93 5
13 1 . . 1 1 16 16 GLU O O . . . 1 1 20 20 ARG N N . . . . . 2.8 2.4 3.3 . . . . . A . 17 GLU O . . A . 21 ARG N . a . 17 . O . . . a . 21 . N . . rr_1a93 5
14 1 . . 1 1 17 17 ASP O O . . . 1 1 21 21 LYS N N . . . . . 2.8 2.4 3.3 . . . . . A . 18 ASP O . . A . 22 LYS N . a . 18 . O . . . a . 22 . N . . rr_1a93 5
15 1 . . 1 1 18 18 LEU O O . . . 1 1 22 22 ARG N N . . . . . 2.8 2.4 3.3 . . . . . A . 19 LEU O . . A . 23 ARG N . a . 19 . O . . . a . 23 . N . . rr_1a93 5
16 1 . . 1 1 19 19 LEU O O . . . 1 1 23 23 ARG N N . . . . . 2.8 2.4 3.3 . . . . . A . 20 LEU O . . A . 24 ARG N . a . 20 . O . . . a . 24 . N . . rr_1a93 5
17 1 . . 1 1 20 20 ARG O O . . . 1 1 24 24 GLU N N . . . . . 2.8 2.4 3.3 . . . . . A . 21 ARG O . . A . 25 GLU N . a . 21 . O . . . a . 25 . N . . rr_1a93 5
18 1 . . 1 1 21 21 LYS O O . . . 1 1 25 25 GLN N N . . . . . 2.8 2.4 3.3 . . . . . A . 22 LYS O . . A . 26 GLN N . a . 22 . O . . . a . 26 . N . . rr_1a93 5
19 1 . . 1 1 22 22 ARG O O . . . 1 1 26 26 LEU N N . . . . . 2.8 2.4 3.3 . . . . . A . 23 ARG O . . A . 27 LEU N . a . 23 . O . . . a . 27 . N . . rr_1a93 5
20 1 . . 1 1 23 23 ARG O O . . . 1 1 27 27 LYS N N . . . . . 2.8 2.4 3.3 . . . . . A . 24 ARG O . . A . 28 LYS N . a . 24 . O . . . a . 28 . N . . rr_1a93 5
21 1 . . 1 1 24 24 GLU O O . . . 1 1 28 28 HIS N N . . . . . 2.8 2.4 3.3 . . . . . A . 25 GLU O . . A . 29 HIS N . a . 25 . O . . . a . 29 . N . . rr_1a93 5
22 1 . . 1 1 25 25 GLN O O . . . 1 1 29 29 LYS N N . . . . . 2.8 2.4 3.3 . . . . . A . 26 GLN O . . A . 30 LYS N . a . 26 . O . . . a . 30 . N . . rr_1a93 5
23 1 . . 1 1 26 26 LEU O O . . . 1 1 30 30 LEU N N . . . . . 2.8 2.4 3.3 . . . . . A . 27 LEU O . . A . 31 LEU N . a . 27 . O . . . a . 31 . N . . rr_1a93 5
24 1 . . 1 1 27 27 LYS O O . . . 1 1 31 31 GLU N N . . . . . 2.8 2.4 3.3 . . . . . A . 28 LYS O . . A . 32 GLU N . a . 28 . O . . . a . 32 . N . . rr_1a93 5
25 1 . . 2 2 4 4 GLY O O . . . 2 2 8 8 LYS N N . . . . . 2.8 2.4 3.3 . . . . . B . 5 GLY O . . B . 9 LYS N . b . 5 . O . . . b . 9 . N . . rr_1a93 5
26 1 . . 2 2 5 5 MET O O . . . 2 2 9 9 ASN N N . . . . . 2.8 2.4 3.3 . . . . . B . 6 MET O . . B . 10 ASN N . b . 6 . O . . . b . 10 . N . . rr_1a93 5
27 1 . . 2 2 6 6 ARG O O . . . 2 2 10 10 ASP N N . . . . . 2.8 2.4 3.3 . . . . . B . 7 ARG O . . B . 11 ASP N . b . 7 . O . . . b . 11 . N . . rr_1a93 5
28 1 . . 2 2 7 7 ARG O O . . . 2 2 11 11 THR N N . . . . . 2.8 2.4 3.3 . . . . . B . 8 ARG O . . B . 12 THR N . b . 8 . O . . . b . 12 . N . . rr_1a93 5
29 1 . . 2 2 8 8 LYS O O . . . 2 2 12 12 HIS N N . . . . . 2.8 2.4 3.3 . . . . . B . 9 LYS O . . B . 13 HIS N . b . 9 . O . . . b . 13 . N . . rr_1a93 5
30 1 . . 2 2 9 9 ASN O O . . . 2 2 13 13 GLN N N . . . . . 2.8 2.4 3.3 . . . . . B . 10 ASN O . . B . 14 GLN N . b . 10 . O . . . b . 14 . N . . rr_1a93 5
31 1 . . 2 2 10 10 ASP O O . . . 2 2 14 14 GLN N N . . . . . 2.8 2.4 3.3 . . . . . B . 11 ASP O . . B . 15 GLN N . b . 11 . O . . . b . 15 . N . . rr_1a93 5
32 1 . . 2 2 11 11 THR O O . . . 2 2 15 15 ASP N N . . . . . 2.8 2.4 3.3 . . . . . B . 12 THR O . . B . 16 ASP N . b . 12 . O . . . b . 16 . N . . rr_1a93 5
33 1 . . 2 2 12 12 HIS O O . . . 2 2 16 16 ILE N N . . . . . 2.8 2.4 3.3 . . . . . B . 13 HIS O . . B . 17 ILE N . b . 13 . O . . . b . 17 . N . . rr_1a93 5
34 1 . . 2 2 13 13 GLN O O . . . 2 2 17 17 ASP N N . . . . . 2.8 2.4 3.3 . . . . . B . 14 GLN O . . B . 18 ASP N . b . 14 . O . . . b . 18 . N . . rr_1a93 5
35 1 . . 2 2 14 14 GLN O O . . . 2 2 18 18 ASP N N . . . . . 2.8 2.4 3.3 . . . . . B . 15 GLN O . . B . 19 ASP N . b . 15 . O . . . b . 19 . N . . rr_1a93 5
36 1 . . 2 2 15 15 ASP O O . . . 2 2 19 19 LEU N N . . . . . 2.8 2.4 3.3 . . . . . B . 16 ASP O . . B . 20 LEU N . b . 16 . O . . . b . 20 . N . . rr_1a93 5
37 1 . . 2 2 16 16 ILE O O . . . 2 2 20 20 LYS N N . . . . . 2.8 2.4 3.3 . . . . . B . 17 ILE O . . B . 21 LYS N . b . 17 . O . . . b . 21 . N . . rr_1a93 5
38 1 . . 2 2 17 17 ASP O O . . . 2 2 21 21 ARG N N . . . . . 2.8 2.4 3.3 . . . . . B . 18 ASP O . . B . 22 ARG N . b . 18 . O . . . b . 22 . N . . rr_1a93 5
39 1 . . 2 2 18 18 ASP O O . . . 2 2 22 22 GLN N N . . . . . 2.8 2.4 3.3 . . . . . B . 19 ASP O . . B . 23 GLN N . b . 19 . O . . . b . 23 . N . . rr_1a93 5
40 1 . . 2 2 19 19 LEU O O . . . 2 2 23 23 ASN N N . . . . . 2.8 2.4 3.3 . . . . . B . 20 LEU O . . B . 24 ASN N . b . 20 . O . . . b . 24 . N . . rr_1a93 5
41 1 . . 2 2 20 20 LYS O O . . . 2 2 24 24 ALA N N . . . . . 2.8 2.4 3.3 . . . . . B . 21 LYS O . . B . 25 ALA N . b . 21 . O . . . b . 25 . N . . rr_1a93 5
42 1 . . 2 2 21 21 ARG O O . . . 2 2 25 25 LEU N N . . . . . 2.8 2.4 3.3 . . . . . B . 22 ARG O . . B . 26 LEU N . b . 22 . O . . . b . 26 . N . . rr_1a93 5
43 1 . . 2 2 22 22 GLN O O . . . 2 2 26 26 LEU N N . . . . . 2.8 2.4 3.3 . . . . . B . 23 GLN O . . B . 27 LEU N . b . 23 . O . . . b . 27 . N . . rr_1a93 5
44 1 . . 2 2 23 23 ASN O O . . . 2 2 27 27 GLU N N . . . . . 2.8 2.4 3.3 . . . . . B . 24 ASN O . . B . 28 GLU N . b . 24 . O . . . b . 28 . N . . rr_1a93 5
45 1 . . 2 2 24 24 ALA O O . . . 2 2 28 28 GLN N N . . . . . 2.8 2.4 3.3 . . . . . B . 25 ALA O . . B . 29 GLN N . b . 25 . O . . . b . 29 . N . . rr_1a93 5
46 1 . . 2 2 25 25 LEU O O . . . 2 2 29 29 GLN N N . . . . . 2.8 2.4 3.3 . . . . . B . 26 LEU O . . B . 30 GLN N . b . 26 . O . . . b . 30 . N . . rr_1a93 5
47 1 . . 2 2 26 26 LEU O O . . . 2 2 30 30 VAL N N . . . . . 2.8 2.4 3.3 . . . . . B . 27 LEU O . . B . 31 VAL N . b . 27 . O . . . b . 31 . N . . rr_1a93 5
48 1 . . 2 2 27 27 GLU O O . . . 2 2 31 31 ARG N N . . . . . 2.8 2.4 3.3 . . . . . B . 28 GLU O . . B . 32 ARG N . b . 28 . O . . . b . 32 . N . . rr_1a93 5
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 "Hbonds: intramonomer A" 1 1 1 25 rr_1a93 5
2 "Hbonds intramonomers B" 29 1 29 25 rr_1a93 5
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_1a93
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
loop_
_Distance_constraint_software.Software_ID
_Distance_constraint_software.Software_label
_Distance_constraint_software.Method_ID
_Distance_constraint_software.Method_label
_Distance_constraint_software.Entry_ID
_Distance_constraint_software.Distance_constraint_list_ID
. . . . rr_1a93 1
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . rr_1a93 1
2 1 . . . rr_1a93 1
3 1 . . . rr_1a93 1
4 1 . . . rr_1a93 1
5 1 . . . rr_1a93 1
6 1 . . . rr_1a93 1
7 1 . . . rr_1a93 1
8 1 . . . rr_1a93 1
9 1 . . . rr_1a93 1
10 1 . . . rr_1a93 1
11 1 . . . rr_1a93 1
12 1 . . . rr_1a93 1
13 1 . . . rr_1a93 1
14 1 . . . rr_1a93 1
15 1 . . . rr_1a93 1
16 1 . . . rr_1a93 1
17 1 . . . rr_1a93 1
18 1 . . . rr_1a93 1
19 1 . . . rr_1a93 1
20 1 . . . rr_1a93 1
21 1 . . . rr_1a93 1
22 1 . . . rr_1a93 1
23 1 . . . rr_1a93 1
24 1 . . . rr_1a93 1
25 1 . . . rr_1a93 1
26 1 . . . rr_1a93 1
27 1 . . . rr_1a93 1
28 1 . . . rr_1a93 1
29 1 2 . OR rr_1a93 1
29 2 . 3 . rr_1a93 1
29 3 . . . rr_1a93 1
30 1 2 . OR rr_1a93 1
30 2 . 3 . rr_1a93 1
30 3 . . . rr_1a93 1
31 1 . . . rr_1a93 1
32 1 . . . rr_1a93 1
33 1 . . . rr_1a93 1
34 1 2 . OR rr_1a93 1
34 2 . 3 . rr_1a93 1
34 3 . . . rr_1a93 1
35 1 . . . rr_1a93 1
36 1 . . . rr_1a93 1
37 1 . . . rr_1a93 1
38 1 . . . rr_1a93 1
39 1 . . . rr_1a93 1
40 1 . . . rr_1a93 1
41 1 2 . OR rr_1a93 1
41 2 . 3 . rr_1a93 1
41 3 . . . rr_1a93 1
42 1 . . . rr_1a93 1
43 1 . . . rr_1a93 1
44 1 2 . OR rr_1a93 1
44 2 . 3 . rr_1a93 1
44 3 . . . rr_1a93 1
45 1 . . . rr_1a93 1
46 1 . . . rr_1a93 1
47 1 2 . OR rr_1a93 1
47 2 . 3 . rr_1a93 1
47 3 . . . rr_1a93 1
48 1 . . . rr_1a93 1
49 1 2 . OR rr_1a93 1
49 2 . 3 . rr_1a93 1
49 3 . . . rr_1a93 1
50 1 . . . rr_1a93 1
51 1 . . . rr_1a93 1
52 1 . . . rr_1a93 1
53 1 . . . rr_1a93 1
54 1 . . . rr_1a93 1
55 1 . . . rr_1a93 1
56 1 . . . rr_1a93 1
57 1 . . . rr_1a93 1
58 1 . . . rr_1a93 1
59 1 . . . rr_1a93 1
60 1 . . . rr_1a93 1
61 1 . . . rr_1a93 1
62 1 . . . rr_1a93 1
63 1 . . . rr_1a93 1
64 1 . . . rr_1a93 1
65 1 . . . rr_1a93 1
66 1 . . . rr_1a93 1
67 1 . . . rr_1a93 1
68 1 . . . rr_1a93 1
69 1 . . . rr_1a93 1
70 1 . . . rr_1a93 1
71 1 . . . rr_1a93 1
72 1 . . . rr_1a93 1
73 1 . . . rr_1a93 1
74 1 . . . rr_1a93 1
75 1 . . . rr_1a93 1
76 1 . . . rr_1a93 1
77 1 . . . rr_1a93 1
78 1 . . . rr_1a93 1
79 1 . . . rr_1a93 1
80 1 . . . rr_1a93 1
81 1 . . . rr_1a93 1
82 1 . . . rr_1a93 1
83 1 . . . rr_1a93 1
84 1 . . . rr_1a93 1
85 1 . . . rr_1a93 1
86 1 . . . rr_1a93 1
87 1 . . . rr_1a93 1
88 1 . . . rr_1a93 1
89 1 . . . rr_1a93 1
90 1 . . . rr_1a93 1
91 1 . . . rr_1a93 1
92 1 . . . rr_1a93 1
93 1 . . . rr_1a93 1
94 1 2 . OR rr_1a93 1
94 2 . 3 . rr_1a93 1
94 3 . . . rr_1a93 1
95 1 . . . rr_1a93 1
96 1 . . . rr_1a93 1
97 1 . . . rr_1a93 1
98 1 2 . OR rr_1a93 1
98 2 . 3 . rr_1a93 1
98 3 . . . rr_1a93 1
99 1 . . . rr_1a93 1
100 1 . . . rr_1a93 1
101 1 . . . rr_1a93 1
102 1 . . . rr_1a93 1
103 1 2 . OR rr_1a93 1
103 2 . 3 . rr_1a93 1
103 3 . . . rr_1a93 1
104 1 2 . OR rr_1a93 1
104 2 . 3 . rr_1a93 1
104 3 . . . rr_1a93 1
105 1 2 . OR rr_1a93 1
105 2 . 3 . rr_1a93 1
105 3 . . . rr_1a93 1
106 1 . . . rr_1a93 1
107 1 . . . rr_1a93 1
108 1 . . . rr_1a93 1
109 1 2 . OR rr_1a93 1
109 2 . 3 . rr_1a93 1
109 3 . . . rr_1a93 1
110 1 . . . rr_1a93 1
111 1 . . . rr_1a93 1
112 1 . . . rr_1a93 1
113 1 . . . rr_1a93 1
114 1 2 . OR rr_1a93 1
114 2 . 3 . rr_1a93 1
114 3 . . . rr_1a93 1
115 1 . . . rr_1a93 1
116 1 . . . rr_1a93 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 . 1 . 1 1 5 5 VAL HA H . . a . 6 . HA rr_1a93 1
1 1 . 2 . 1 1 6 6 GLN H H . . a . 7 . HN rr_1a93 1
2 1 . 1 . 1 1 7 7 ALA HA H . . a . 8 . HA rr_1a93 1
2 1 . 2 . 1 1 8 8 GLU H H . . a . 9 . HN rr_1a93 1
3 1 . 1 . 1 1 13 13 ILE HA H . . a . 14 . HA rr_1a93 1
3 1 . 2 . 1 1 14 14 SER H H . . a . 15 . HN rr_1a93 1
4 1 . 1 . 1 1 14 14 SER HA H . . a . 15 . HA rr_1a93 1
4 1 . 2 . 1 1 15 15 GLU H H . . a . 16 . HN rr_1a93 1
5 1 . 1 . 1 1 16 16 GLU HA H . . a . 17 . HA rr_1a93 1
5 1 . 2 . 1 1 17 17 ASP H H . . a . 18 . HN rr_1a93 1
6 1 . 1 . 1 1 17 17 ASP HA H . . a . 18 . HA rr_1a93 1
6 1 . 2 . 1 1 18 18 LEU H H . . a . 19 . HN rr_1a93 1
7 1 . 1 . 1 1 18 18 LEU HA H . . a . 19 . HA rr_1a93 1
7 1 . 2 . 1 1 19 19 LEU H H . . a . 20 . HN rr_1a93 1
8 1 . 1 . 1 1 22 22 ARG HA H . . a . 23 . HA rr_1a93 1
8 1 . 2 . 1 1 23 23 ARG H H . . a . 24 . HN rr_1a93 1
9 1 . 1 . 1 1 25 25 GLN HA H . . a . 26 . HA rr_1a93 1
9 1 . 2 . 1 1 26 26 LEU H H . . a . 27 . HN rr_1a93 1
10 1 . 1 . 1 1 28 28 HIS HA H . . a . 29 . HA rr_1a93 1
10 1 . 2 . 1 1 29 29 LYS H H . . a . 30 . HN rr_1a93 1
11 1 . 1 . 1 1 32 32 GLN HA H . . a . 33 . HA rr_1a93 1
11 1 . 2 . 1 1 33 33 LEU H H . . a . 34 . HN rr_1a93 1
12 1 . 1 . 1 1 5 5 VAL H H . . a . 6 . HN rr_1a93 1
12 1 . 2 . 1 1 6 6 GLN H H . . a . 7 . HN rr_1a93 1
13 1 . 1 . 1 1 8 8 GLU H H . . a . 9 . HN rr_1a93 1
13 1 . 2 . 1 1 9 9 GLU H H . . a . 10 . HN rr_1a93 1
14 1 . 1 . 1 1 9 9 GLU H H . . a . 10 . HN rr_1a93 1
14 1 . 2 . 1 1 10 10 GLN H H . . a . 11 . HN rr_1a93 1
15 1 . 1 . 1 1 13 13 ILE H H . . a . 14 . HN rr_1a93 1
15 1 . 2 . 1 1 14 14 SER H H . . a . 15 . HN rr_1a93 1
16 1 . 1 . 1 1 14 14 SER H H . . a . 15 . HN rr_1a93 1
16 1 . 2 . 1 1 15 15 GLU H H . . a . 16 . HN rr_1a93 1
17 1 . 1 . 1 1 15 15 GLU H H . . a . 16 . HN rr_1a93 1
17 1 . 2 . 1 1 16 16 GLU H H . . a . 17 . HN rr_1a93 1
18 1 . 1 . 1 1 16 16 GLU H H . . a . 17 . HN rr_1a93 1
18 1 . 2 . 1 1 17 17 ASP H H . . a . 18 . HN rr_1a93 1
19 1 . 1 . 1 1 17 17 ASP H H . . a . 18 . HN rr_1a93 1
19 1 . 2 . 1 1 18 18 LEU H H . . a . 19 . HN rr_1a93 1
20 1 . 1 . 1 1 23 23 ARG H H . . a . 24 . HN rr_1a93 1
20 1 . 2 . 1 1 24 24 GLU H H . . a . 25 . HN rr_1a93 1
21 1 . 1 . 1 1 24 24 GLU H H . . a . 25 . HN rr_1a93 1
21 1 . 2 . 1 1 25 25 GLN H H . . a . 26 . HN rr_1a93 1
22 1 . 1 . 1 1 25 25 GLN H H . . a . 26 . HN rr_1a93 1
22 1 . 2 . 1 1 26 26 LEU H H . . a . 27 . HN rr_1a93 1
23 1 . 1 . 1 1 27 27 LYS H H . . a . 28 . HN rr_1a93 1
23 1 . 2 . 1 1 28 28 HIS H H . . a . 29 . HN rr_1a93 1
24 1 . 1 . 1 1 30 30 LEU H H . . a . 31 . HN rr_1a93 1
24 1 . 2 . 1 1 31 31 GLU H H . . a . 32 . HN rr_1a93 1
25 1 . 1 . 1 1 31 31 GLU H H . . a . 32 . HN rr_1a93 1
25 1 . 2 . 1 1 32 32 GLN H H . . a . 33 . HN rr_1a93 1
26 1 . 1 . 1 1 32 32 GLN H H . . a . 33 . HN rr_1a93 1
26 1 . 2 . 1 1 33 33 LEU H H . . a . 34 . HN rr_1a93 1
27 1 . 1 . 1 1 5 5 VAL HB H . . a . 6 . HB rr_1a93 1
27 1 . 2 . 1 1 6 6 GLN H H . . a . 7 . HN rr_1a93 1
28 1 . 1 . 1 1 7 7 ALA MB H . . a . 8 . HB* rr_1a93 1
28 1 . 2 . 1 1 8 8 GLU H H . . a . 9 . HN rr_1a93 1
29 2 . 1 . 1 1 9 9 GLU HB2 H . . a . 10 . HB* rr_1a93 1
29 2 . 2 . 1 1 10 10 GLN H H . . a . 11 . HN rr_1a93 1
29 3 . 1 . 1 1 9 9 GLU HB3 H . . a . 10 . HB* rr_1a93 1
29 3 . 2 . 1 1 10 10 GLN H H . . a . 11 . HN rr_1a93 1
30 2 . 1 . 1 1 10 10 GLN HB2 H . . a . 11 . HB* rr_1a93 1
30 2 . 2 . 1 1 11 11 LYS H H . . a . 12 . HN rr_1a93 1
30 3 . 1 . 1 1 10 10 GLN HB3 H . . a . 11 . HB* rr_1a93 1
30 3 . 2 . 1 1 11 11 LYS H H . . a . 12 . HN rr_1a93 1
31 1 . 1 . 1 1 12 12 LEU HB3 H . . a . 13 . HB1 rr_1a93 1
31 1 . 2 . 1 1 13 13 ILE H H . . a . 14 . HN rr_1a93 1
32 1 . 1 . 1 1 12 12 LEU HB2 H . . a . 13 . HB2 rr_1a93 1
32 1 . 2 . 1 1 13 13 ILE H H . . a . 14 . HN rr_1a93 1
33 1 . 1 . 1 1 13 13 ILE HB H . . a . 14 . HB rr_1a93 1
33 1 . 2 . 1 1 14 14 SER H H . . a . 15 . HN rr_1a93 1
34 2 . 1 . 1 1 14 14 SER HB2 H . . a . 15 . HB* rr_1a93 1
34 2 . 2 . 1 1 15 15 GLU H H . . a . 16 . HN rr_1a93 1
34 3 . 1 . 1 1 14 14 SER HB3 H . . a . 15 . HB* rr_1a93 1
34 3 . 2 . 1 1 15 15 GLU H H . . a . 16 . HN rr_1a93 1
35 1 . 1 . 1 1 17 17 ASP HB3 H . . a . 18 . HB1 rr_1a93 1
35 1 . 2 . 1 1 18 18 LEU H H . . a . 19 . HN rr_1a93 1
36 1 . 1 . 1 1 17 17 ASP HB2 H . . a . 18 . HB2 rr_1a93 1
36 1 . 2 . 1 1 18 18 LEU H H . . a . 19 . HN rr_1a93 1
37 1 . 1 . 1 1 18 18 LEU HB3 H . . a . 19 . HB1 rr_1a93 1
37 1 . 2 . 1 1 19 19 LEU H H . . a . 20 . HN rr_1a93 1
38 1 . 1 . 1 1 18 18 LEU HB2 H . . a . 19 . HB2 rr_1a93 1
38 1 . 2 . 1 1 19 19 LEU H H . . a . 20 . HN rr_1a93 1
39 1 . 1 . 1 1 19 19 LEU HB3 H . . a . 20 . HB1 rr_1a93 1
39 1 . 2 . 1 1 20 20 ARG H H . . a . 21 . HN rr_1a93 1
40 1 . 1 . 1 1 19 19 LEU HB2 H . . a . 20 . HB2 rr_1a93 1
40 1 . 2 . 1 1 20 20 ARG H H . . a . 21 . HN rr_1a93 1
41 2 . 1 . 1 1 22 22 ARG HB2 H . . a . 23 . HB* rr_1a93 1
41 2 . 2 . 1 1 23 23 ARG H H . . a . 24 . HN rr_1a93 1
41 3 . 1 . 1 1 22 22 ARG HB3 H . . a . 23 . HB* rr_1a93 1
41 3 . 2 . 1 1 23 23 ARG H H . . a . 24 . HN rr_1a93 1
42 1 . 1 . 1 1 23 23 ARG HB3 H . . a . 24 . HB1 rr_1a93 1
42 1 . 2 . 1 1 24 24 GLU H H . . a . 25 . HN rr_1a93 1
43 1 . 1 . 1 1 23 23 ARG HB2 H . . a . 24 . HB2 rr_1a93 1
43 1 . 2 . 1 1 24 24 GLU H H . . a . 25 . HN rr_1a93 1
44 2 . 1 . 1 1 24 24 GLU HB2 H . . a . 25 . HB* rr_1a93 1
44 2 . 2 . 1 1 25 25 GLN H H . . a . 26 . HN rr_1a93 1
44 3 . 1 . 1 1 24 24 GLU HB3 H . . a . 25 . HB* rr_1a93 1
44 3 . 2 . 1 1 25 25 GLN H H . . a . 26 . HN rr_1a93 1
45 1 . 1 . 1 1 26 26 LEU HB3 H . . a . 27 . HB1 rr_1a93 1
45 1 . 2 . 1 1 27 27 LYS H H . . a . 28 . HN rr_1a93 1
46 1 . 1 . 1 1 26 26 LEU HB2 H . . a . 27 . HB2 rr_1a93 1
46 1 . 2 . 1 1 27 27 LYS H H . . a . 28 . HN rr_1a93 1
47 2 . 1 . 1 1 28 28 HIS HB3 H . . a . 29 . HB* rr_1a93 1
47 2 . 2 . 1 1 29 29 LYS H H . . a . 30 . HN rr_1a93 1
47 3 . 1 . 1 1 28 28 HIS HB2 H . . a . 29 . HB* rr_1a93 1
47 3 . 2 . 1 1 29 29 LYS H H . . a . 30 . HN rr_1a93 1
48 1 . 1 . 1 1 30 30 LEU HB2 H . . a . 31 . HB2 rr_1a93 1
48 1 . 2 . 1 1 31 31 GLU H H . . a . 32 . HN rr_1a93 1
49 2 . 1 . 1 1 32 32 GLN HB2 H . . a . 33 . HB* rr_1a93 1
49 2 . 2 . 1 1 33 33 LEU H H . . a . 34 . HN rr_1a93 1
49 3 . 1 . 1 1 32 32 GLN HB3 H . . a . 33 . HB* rr_1a93 1
49 3 . 2 . 1 1 33 33 LEU H H . . a . 34 . HN rr_1a93 1
50 1 . 1 . 2 2 9 9 ASN HA H . . b . 10 . HA rr_1a93 1
50 1 . 2 . 2 2 10 10 ASP H H . . b . 11 . HN rr_1a93 1
51 1 . 1 . 2 2 10 10 ASP HA H . . b . 11 . HA rr_1a93 1
51 1 . 2 . 2 2 11 11 THR H H . . b . 12 . HN rr_1a93 1
52 1 . 1 . 2 2 11 11 THR HA H . . b . 12 . HA rr_1a93 1
52 1 . 2 . 2 2 12 12 HIS H H . . b . 13 . HN rr_1a93 1
53 1 . 1 . 2 2 12 12 HIS HA H . . b . 13 . HA rr_1a93 1
53 1 . 2 . 2 2 13 13 GLN H H . . b . 14 . HN rr_1a93 1
54 1 . 1 . 2 2 16 16 ILE HA H . . b . 17 . HA rr_1a93 1
54 1 . 2 . 2 2 17 17 ASP H H . . b . 18 . HN rr_1a93 1
55 1 . 1 . 2 2 17 17 ASP HA H . . b . 18 . HA rr_1a93 1
55 1 . 2 . 2 2 18 18 ASP H H . . b . 19 . HN rr_1a93 1
56 1 . 1 . 2 2 18 18 ASP HA H . . b . 19 . HA rr_1a93 1
56 1 . 2 . 2 2 19 19 LEU H H . . b . 20 . HN rr_1a93 1
57 1 . 1 . 2 2 20 20 LYS HA H . . b . 21 . HA rr_1a93 1
57 1 . 2 . 2 2 21 21 ARG H H . . b . 22 . HN rr_1a93 1
58 1 . 1 . 2 2 22 22 GLN HA H . . b . 23 . HA rr_1a93 1
58 1 . 2 . 2 2 23 23 ASN H H . . b . 24 . HN rr_1a93 1
59 1 . 1 . 2 2 23 23 ASN HA H . . b . 24 . HA rr_1a93 1
59 1 . 2 . 2 2 24 24 ALA H H . . b . 25 . HN rr_1a93 1
60 1 . 1 . 2 2 24 24 ALA HA H . . b . 25 . HA rr_1a93 1
60 1 . 2 . 2 2 25 25 LEU H H . . b . 26 . HN rr_1a93 1
61 1 . 1 . 2 2 26 26 LEU HA H . . b . 27 . HA rr_1a93 1
61 1 . 2 . 2 2 27 27 GLU H H . . b . 28 . HN rr_1a93 1
62 1 . 1 . 2 2 27 27 GLU HA H . . b . 28 . HA rr_1a93 1
62 1 . 2 . 2 2 28 28 GLN H H . . b . 29 . HN rr_1a93 1
63 1 . 1 . 2 2 28 28 GLN HA H . . b . 29 . HA rr_1a93 1
63 1 . 2 . 2 2 29 29 GLN H H . . b . 30 . HN rr_1a93 1
64 1 . 1 . 2 2 29 29 GLN HA H . . b . 30 . HA rr_1a93 1
64 1 . 2 . 2 2 30 30 VAL H H . . b . 31 . HN rr_1a93 1
65 1 . 1 . 2 2 30 30 VAL HA H . . b . 31 . HA rr_1a93 1
65 1 . 2 . 2 2 31 31 ARG H H . . b . 32 . HN rr_1a93 1
66 1 . 1 . 2 2 31 31 ARG HA H . . b . 32 . HA rr_1a93 1
66 1 . 2 . 2 2 32 32 ALA H H . . b . 33 . HN rr_1a93 1
67 1 . 1 . 2 2 10 10 ASP H H . . b . 11 . HN rr_1a93 1
67 1 . 2 . 2 2 11 11 THR H H . . b . 12 . HN rr_1a93 1
68 1 . 1 . 2 2 11 11 THR H H . . b . 12 . HN rr_1a93 1
68 1 . 2 . 2 2 12 12 HIS H H . . b . 13 . HN rr_1a93 1
69 1 . 1 . 2 2 12 12 HIS H H . . b . 13 . HN rr_1a93 1
69 1 . 2 . 2 2 13 13 GLN H H . . b . 14 . HN rr_1a93 1
70 1 . 1 . 2 2 13 13 GLN H H . . b . 14 . HN rr_1a93 1
70 1 . 2 . 2 2 14 14 GLN H H . . b . 15 . HN rr_1a93 1
71 1 . 1 . 2 2 15 15 ASP H H . . b . 16 . HN rr_1a93 1
71 1 . 2 . 2 2 16 16 ILE H H . . b . 17 . HN rr_1a93 1
72 1 . 1 . 2 2 17 17 ASP H H . . b . 18 . HN rr_1a93 1
72 1 . 2 . 2 2 18 18 ASP H H . . b . 19 . HN rr_1a93 1
73 1 . 1 . 2 2 18 18 ASP H H . . b . 19 . HN rr_1a93 1
73 1 . 2 . 2 2 19 19 LEU H H . . b . 20 . HN rr_1a93 1
74 1 . 1 . 2 2 19 19 LEU H H . . b . 20 . HN rr_1a93 1
74 1 . 2 . 2 2 20 20 LYS H H . . b . 21 . HN rr_1a93 1
75 1 . 1 . 2 2 20 20 LYS H H . . b . 21 . HN rr_1a93 1
75 1 . 2 . 2 2 21 21 ARG H H . . b . 22 . HN rr_1a93 1
76 1 . 1 . 2 2 21 21 ARG H H . . b . 22 . HN rr_1a93 1
76 1 . 2 . 2 2 22 22 GLN H H . . b . 23 . HN rr_1a93 1
77 1 . 1 . 2 2 22 22 GLN H H . . b . 23 . HN rr_1a93 1
77 1 . 2 . 2 2 23 23 ASN H H . . b . 24 . HN rr_1a93 1
78 1 . 1 . 2 2 23 23 ASN H H . . b . 24 . HN rr_1a93 1
78 1 . 2 . 2 2 24 24 ALA H H . . b . 25 . HN rr_1a93 1
79 1 . 1 . 2 2 24 24 ALA H H . . b . 25 . HN rr_1a93 1
79 1 . 2 . 2 2 25 25 LEU H H . . b . 26 . HN rr_1a93 1
80 1 . 1 . 2 2 25 25 LEU H H . . b . 26 . HN rr_1a93 1
80 1 . 2 . 2 2 26 26 LEU H H . . b . 27 . HN rr_1a93 1
81 1 . 1 . 2 2 26 26 LEU H H . . b . 27 . HN rr_1a93 1
81 1 . 2 . 2 2 27 27 GLU H H . . b . 28 . HN rr_1a93 1
82 1 . 1 . 2 2 27 27 GLU H H . . b . 28 . HN rr_1a93 1
82 1 . 2 . 2 2 28 28 GLN H H . . b . 29 . HN rr_1a93 1
83 1 . 1 . 2 2 28 28 GLN H H . . b . 29 . HN rr_1a93 1
83 1 . 2 . 2 2 29 29 GLN H H . . b . 30 . HN rr_1a93 1
84 1 . 1 . 2 2 29 29 GLN H H . . b . 30 . HN rr_1a93 1
84 1 . 2 . 2 2 30 30 VAL H H . . b . 31 . HN rr_1a93 1
85 1 . 1 . 2 2 30 30 VAL H H . . b . 31 . HN rr_1a93 1
85 1 . 2 . 2 2 31 31 ARG H H . . b . 32 . HN rr_1a93 1
86 1 . 1 . 2 2 31 31 ARG H H . . b . 32 . HN rr_1a93 1
86 1 . 2 . 2 2 32 32 ALA H H . . b . 33 . HN rr_1a93 1
87 1 . 1 . 2 2 32 32 ALA H H . . b . 33 . HN rr_1a93 1
87 1 . 2 . 2 2 33 33 LEU H H . . b . 34 . HN rr_1a93 1
88 1 . 1 . 2 2 9 9 ASN HB2 H . . b . 10 . HB2 rr_1a93 1
88 1 . 2 . 2 2 10 10 ASP H H . . b . 11 . HN rr_1a93 1
89 1 . 1 . 2 2 10 10 ASP HB3 H . . b . 11 . HB1 rr_1a93 1
89 1 . 2 . 2 2 11 11 THR H H . . b . 12 . HN rr_1a93 1
90 1 . 1 . 2 2 10 10 ASP HB2 H . . b . 11 . HB2 rr_1a93 1
90 1 . 2 . 2 2 11 11 THR H H . . b . 12 . HN rr_1a93 1
91 1 . 1 . 2 2 11 11 THR HB H . . b . 12 . HB rr_1a93 1
91 1 . 2 . 2 2 12 12 HIS H H . . b . 13 . HN rr_1a93 1
92 1 . 1 . 2 2 12 12 HIS HB3 H . . b . 13 . HB1 rr_1a93 1
92 1 . 2 . 2 2 13 13 GLN H H . . b . 14 . HN rr_1a93 1
93 1 . 1 . 2 2 12 12 HIS HB2 H . . b . 13 . HB2 rr_1a93 1
93 1 . 2 . 2 2 13 13 GLN H H . . b . 14 . HN rr_1a93 1
94 2 . 1 . 2 2 13 13 GLN HB2 H . . b . 14 . HB* rr_1a93 1
94 2 . 2 . 2 2 14 14 GLN H H . . b . 15 . HN rr_1a93 1
94 3 . 1 . 2 2 13 13 GLN HB3 H . . b . 14 . HB* rr_1a93 1
94 3 . 2 . 2 2 14 14 GLN H H . . b . 15 . HN rr_1a93 1
95 1 . 1 . 2 2 15 15 ASP HB3 H . . b . 16 . HB1 rr_1a93 1
95 1 . 2 . 2 2 16 16 ILE H H . . b . 17 . HN rr_1a93 1
96 1 . 1 . 2 2 15 15 ASP HB2 H . . b . 16 . HB2 rr_1a93 1
96 1 . 2 . 2 2 16 16 ILE H H . . b . 17 . HN rr_1a93 1
97 1 . 1 . 2 2 16 16 ILE HB H . . b . 17 . HB rr_1a93 1
97 1 . 2 . 2 2 17 17 ASP H H . . b . 18 . HN rr_1a93 1
98 2 . 1 . 2 2 17 17 ASP HB3 H . . b . 18 . HB* rr_1a93 1
98 2 . 2 . 2 2 18 18 ASP H H . . b . 19 . HN rr_1a93 1
98 3 . 1 . 2 2 17 17 ASP HB2 H . . b . 18 . HB* rr_1a93 1
98 3 . 2 . 2 2 18 18 ASP H H . . b . 19 . HN rr_1a93 1
99 1 . 1 . 2 2 18 18 ASP HB3 H . . b . 19 . HB1 rr_1a93 1
99 1 . 2 . 2 2 19 19 LEU H H . . b . 20 . HN rr_1a93 1
100 1 . 1 . 2 2 18 18 ASP HB2 H . . b . 19 . HB2 rr_1a93 1
100 1 . 2 . 2 2 19 19 LEU H H . . b . 20 . HN rr_1a93 1
101 1 . 1 . 2 2 19 19 LEU HB3 H . . b . 20 . HB1 rr_1a93 1
101 1 . 2 . 2 2 20 20 LYS H H . . b . 21 . HN rr_1a93 1
102 1 . 1 . 2 2 19 19 LEU HB2 H . . b . 20 . HB2 rr_1a93 1
102 1 . 2 . 2 2 20 20 LYS H H . . b . 21 . HN rr_1a93 1
103 2 . 1 . 2 2 20 20 LYS HB2 H . . b . 21 . HB* rr_1a93 1
103 2 . 2 . 2 2 21 21 ARG H H . . b . 22 . HN rr_1a93 1
103 3 . 1 . 2 2 20 20 LYS HB3 H . . b . 21 . HB* rr_1a93 1
103 3 . 2 . 2 2 21 21 ARG H H . . b . 22 . HN rr_1a93 1
104 2 . 1 . 2 2 21 21 ARG HB2 H . . b . 22 . HB* rr_1a93 1
104 2 . 2 . 2 2 22 22 GLN H H . . b . 23 . HN rr_1a93 1
104 3 . 1 . 2 2 21 21 ARG HB3 H . . b . 22 . HB* rr_1a93 1
104 3 . 2 . 2 2 22 22 GLN H H . . b . 23 . HN rr_1a93 1
105 2 . 1 . 2 2 22 22 GLN HB2 H . . b . 23 . HB* rr_1a93 1
105 2 . 2 . 2 2 23 23 ASN H H . . b . 24 . HN rr_1a93 1
105 3 . 1 . 2 2 22 22 GLN HB3 H . . b . 23 . HB* rr_1a93 1
105 3 . 2 . 2 2 23 23 ASN H H . . b . 24 . HN rr_1a93 1
106 1 . 1 . 2 2 23 23 ASN HB3 H . . b . 24 . HB1 rr_1a93 1
106 1 . 2 . 2 2 24 24 ALA H H . . b . 25 . HN rr_1a93 1
107 1 . 1 . 2 2 23 23 ASN HB2 H . . b . 24 . HB2 rr_1a93 1
107 1 . 2 . 2 2 24 24 ALA H H . . b . 25 . HN rr_1a93 1
108 1 . 1 . 2 2 24 24 ALA MB H . . b . 25 . HB* rr_1a93 1
108 1 . 2 . 2 2 25 25 LEU H H . . b . 26 . HN rr_1a93 1
109 2 . 1 . 2 2 25 25 LEU HB2 H . . b . 26 . HB* rr_1a93 1
109 2 . 2 . 2 2 26 26 LEU H H . . b . 27 . HN rr_1a93 1
109 3 . 1 . 2 2 25 25 LEU HB3 H . . b . 26 . HB* rr_1a93 1
109 3 . 2 . 2 2 26 26 LEU H H . . b . 27 . HN rr_1a93 1
110 1 . 1 . 2 2 26 26 LEU HB3 H . . b . 27 . HB1 rr_1a93 1
110 1 . 2 . 2 2 27 27 GLU H H . . b . 28 . HN rr_1a93 1
111 1 . 1 . 2 2 26 26 LEU HB2 H . . b . 27 . HB2 rr_1a93 1
111 1 . 2 . 2 2 27 27 GLU H H . . b . 28 . HN rr_1a93 1
112 1 . 1 . 2 2 27 27 GLU HB3 H . . b . 28 . HB1 rr_1a93 1
112 1 . 2 . 2 2 28 28 GLN H H . . b . 29 . HN rr_1a93 1
113 1 . 1 . 2 2 27 27 GLU HB2 H . . b . 28 . HB2 rr_1a93 1
113 1 . 2 . 2 2 28 28 GLN H H . . b . 29 . HN rr_1a93 1
114 2 . 1 . 2 2 29 29 GLN HB2 H . . b . 30 . HB* rr_1a93 1
114 2 . 2 . 2 2 30 30 VAL H H . . b . 31 . HN rr_1a93 1
114 3 . 1 . 2 2 29 29 GLN HB3 H . . b . 30 . HB* rr_1a93 1
114 3 . 2 . 2 2 30 30 VAL H H . . b . 31 . HN rr_1a93 1
115 1 . 1 . 2 2 30 30 VAL HB H . . b . 31 . HB rr_1a93 1
115 1 . 2 . 2 2 31 31 ARG H H . . b . 32 . HN rr_1a93 1
116 1 . 1 . 2 2 32 32 ALA MB H . . b . 33 . HB* rr_1a93 1
116 1 . 2 . 2 2 33 33 LEU H H . . b . 34 . HN rr_1a93 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
2 1 . . . . . . 3.5 1.8 4.5 rr_1a93 1
3 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
4 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
5 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
6 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
7 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
8 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
9 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
10 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
11 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
12 1 . . . . . . 3.0 1.8 3.5 rr_1a93 1
13 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
14 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
15 1 . . . . . . 3.0 1.8 3.5 rr_1a93 1
16 1 . . . . . . 3.0 1.8 3.5 rr_1a93 1
17 1 . . . . . . 3.0 1.8 3.5 rr_1a93 1
18 1 . . . . . . 3.0 1.8 3.5 rr_1a93 1
19 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
20 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
21 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
22 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
23 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
24 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
25 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
26 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
27 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
28 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
29 2 . . . . . . 3.5 2.3 4.5 rr_1a93 1
29 3 . . . . . . 3.5 2.3 4.5 rr_1a93 1
30 2 . . . . . . 3.5 2.3 4.5 rr_1a93 1
30 3 . . . . . . 3.5 2.3 4.5 rr_1a93 1
31 1 . . . . . . 4.0 1.8 4.5 rr_1a93 1
32 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
33 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
34 2 . . . . . . 3.5 1.8 4.5 rr_1a93 1
34 3 . . . . . . 3.5 1.8 4.5 rr_1a93 1
35 1 . . . . . . 4.0 1.8 5.0 rr_1a93 1
36 1 . . . . . . 4.0 1.8 5.0 rr_1a93 1
37 1 . . . . . . 4.0 1.8 5.0 rr_1a93 1
38 1 . . . . . . 4.0 1.8 5.0 rr_1a93 1
39 1 . . . . . . 4.0 1.8 4.5 rr_1a93 1
40 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
41 2 . . . . . . 3.5 1.8 4.5 rr_1a93 1
41 3 . . . . . . 3.5 1.8 4.5 rr_1a93 1
42 1 . . . . . . 3.5 1.8 4.5 rr_1a93 1
43 1 . . . . . . 3.5 1.8 4.5 rr_1a93 1
44 2 . . . . . . 3.5 1.8 4.5 rr_1a93 1
44 3 . . . . . . 3.5 1.8 4.5 rr_1a93 1
45 1 . . . . . . 4.0 1.8 4.5 rr_1a93 1
46 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
47 2 . . . . . . 2.8 1.8 3.8 rr_1a93 1
47 3 . . . . . . 2.8 1.8 3.8 rr_1a93 1
48 1 . . . . . . 3.0 1.3 3.5 rr_1a93 1
49 2 . . . . . . 3.5 1.8 4.5 rr_1a93 1
49 3 . . . . . . 3.5 1.8 4.5 rr_1a93 1
50 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
51 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
52 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
53 1 . . . . . . 3.5 1.8 3.5 rr_1a93 1
54 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
55 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
56 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
57 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
58 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
59 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
60 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
61 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
62 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
63 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
64 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
65 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
66 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
67 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
68 1 . . . . . . 3.0 1.8 3.5 rr_1a93 1
69 1 . . . . . . 3.0 1.8 3.5 rr_1a93 1
70 1 . . . . . . 3.0 1.8 3.5 rr_1a93 1
71 1 . . . . . . 3.0 1.8 3.5 rr_1a93 1
72 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
73 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
74 1 . . . . . . 3.0 1.8 3.5 rr_1a93 1
75 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
76 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
77 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
78 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
79 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
80 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
81 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
82 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
83 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
84 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
85 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
86 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
87 1 . . . . . . 2.5 1.8 3.0 rr_1a93 1
88 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
89 1 . . . . . . 4.0 1.8 4.5 rr_1a93 1
90 1 . . . . . . 4.0 1.8 4.5 rr_1a93 1
91 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
92 1 . . . . . . 4.0 1.8 4.5 rr_1a93 1
93 1 . . . . . . 4.0 1.8 4.5 rr_1a93 1
94 2 . . . . . . 3.5 1.3 5.0 rr_1a93 1
94 3 . . . . . . 3.5 1.3 5.0 rr_1a93 1
95 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
96 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
97 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
98 2 . . . . . . 4.0 1.8 5.5 rr_1a93 1
98 3 . . . . . . 4.0 1.8 5.5 rr_1a93 1
99 1 . . . . . . 3.0 1.8 3.5 rr_1a93 1
100 1 . . . . . . 4.0 1.8 4.5 rr_1a93 1
101 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
102 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
103 2 . . . . . . 3.5 1.8 5.0 rr_1a93 1
103 3 . . . . . . 3.5 1.8 5.0 rr_1a93 1
104 2 . . . . . . 3.5 1.8 4.0 rr_1a93 1
104 3 . . . . . . 3.5 1.8 4.0 rr_1a93 1
105 2 . . . . . . 3.5 1.8 5.0 rr_1a93 1
105 3 . . . . . . 3.5 1.8 5.0 rr_1a93 1
106 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
107 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
108 1 . . . . . . 3.5 1.8 4.5 rr_1a93 1
109 2 . . . . . . 3.5 2.5 4.5 rr_1a93 1
109 3 . . . . . . 3.5 2.5 4.5 rr_1a93 1
110 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
111 1 . . . . . . 3.0 1.8 3.5 rr_1a93 1
112 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
113 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
114 2 . . . . . . 3.5 1.8 5.0 rr_1a93 1
114 3 . . . . . . 3.5 1.8 5.0 rr_1a93 1
115 1 . . . . . . 3.5 1.8 4.0 rr_1a93 1
116 1 . . . . . . 3.5 1.8 4.5 rr_1a93 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
;a.1.1 short range interresidue (|i - j| <= 5) NOEs: intramonomer a
CaH(i)-NH(i+1) (includes Noes to CdH and CaH of Pro)
;
1 1 3 54 rr_1a93 1
2 "NH(i)-NH(i+1) NOEs (includes NOEs to Pro CdH)" 17 1 17 47 rr_1a93 1
3 CbH(i)-NH(i+1) 35 1 35 16 rr_1a93 1
4
;a.1.2 short range interresidue (|i - j| <= 5) NOES: intramonomer segid b
CaH(i)-NH(i+1) (includes Noes to CdH and CaH of Pro)
;
61 1 63 54 rr_1a93 1
5 "NH(i)-NH(i+1) NOEs (includes NOEs to Pro CdH)" 82 1 82 47 rr_1a93 1
6 CbH(i)-NH(i+1) 106 1 106 16 rr_1a93 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_1a93
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 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_1a93 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_1a93 2
2 1 . . . rr_1a93 2
3 1 . . . rr_1a93 2
4 1 . . . rr_1a93 2
5 1 . . . rr_1a93 2
6 1 . . . rr_1a93 2
7 1 . . . rr_1a93 2
8 1 . . . rr_1a93 2
9 1 . . . rr_1a93 2
10 1 . . . rr_1a93 2
11 1 . . . rr_1a93 2
12 1 . . . rr_1a93 2
13 1 . . . rr_1a93 2
14 1 . . . rr_1a93 2
15 1 . . . rr_1a93 2
16 1 . . . rr_1a93 2
17 1 . . . rr_1a93 2
18 1 2 . OR rr_1a93 2
18 2 . 3 . rr_1a93 2
18 3 . . . rr_1a93 2
19 1 . . . rr_1a93 2
20 1 . . . rr_1a93 2
21 1 . . . rr_1a93 2
22 1 2 . OR rr_1a93 2
22 2 . 3 . rr_1a93 2
22 3 . . . rr_1a93 2
23 1 2 . OR rr_1a93 2
23 2 . 3 . rr_1a93 2
23 3 . . . rr_1a93 2
24 1 . . . rr_1a93 2
25 1 . . . rr_1a93 2
26 1 . . . rr_1a93 2
27 1 . . . rr_1a93 2
28 1 2 . OR rr_1a93 2
28 2 . 3 . rr_1a93 2
28 3 . . . rr_1a93 2
29 1 2 . OR rr_1a93 2
29 2 . 3 . rr_1a93 2
29 3 . . . rr_1a93 2
30 1 2 . OR rr_1a93 2
30 2 . 3 . rr_1a93 2
30 3 . . . rr_1a93 2
31 1 2 . OR rr_1a93 2
31 2 . 3 . rr_1a93 2
31 3 . . . rr_1a93 2
32 1 . . . rr_1a93 2
33 1 . . . rr_1a93 2
34 1 . . . rr_1a93 2
35 1 . . . rr_1a93 2
36 1 . . . rr_1a93 2
37 1 . . . rr_1a93 2
38 1 2 . OR rr_1a93 2
38 2 . 3 . rr_1a93 2
38 3 . . . rr_1a93 2
39 1 . . . rr_1a93 2
40 1 2 . OR rr_1a93 2
40 2 . 3 . rr_1a93 2
40 3 . . . rr_1a93 2
41 1 2 . OR rr_1a93 2
41 2 . 3 . rr_1a93 2
41 3 . . . rr_1a93 2
42 1 . . . rr_1a93 2
43 1 . . . rr_1a93 2
44 1 2 . OR rr_1a93 2
44 2 . 3 . rr_1a93 2
44 3 . . . rr_1a93 2
45 1 . . . rr_1a93 2
46 1 2 . OR rr_1a93 2
46 2 . 3 . rr_1a93 2
46 3 . . . rr_1a93 2
47 1 2 . OR rr_1a93 2
47 2 . 3 . rr_1a93 2
47 3 . . . rr_1a93 2
48 1 . . . rr_1a93 2
49 1 . . . rr_1a93 2
50 1 . . . rr_1a93 2
51 1 . . . rr_1a93 2
52 1 . . . rr_1a93 2
53 1 . . . rr_1a93 2
54 1 . . . rr_1a93 2
55 1 . . . rr_1a93 2
56 1 . . . rr_1a93 2
57 1 . . . rr_1a93 2
58 1 . . . rr_1a93 2
59 1 . . . rr_1a93 2
60 1 . . . rr_1a93 2
61 1 . . . rr_1a93 2
62 1 . . . rr_1a93 2
63 1 . . . rr_1a93 2
64 1 . . . rr_1a93 2
65 1 . . . rr_1a93 2
66 1 . . . rr_1a93 2
67 1 . . . rr_1a93 2
68 1 . . . rr_1a93 2
69 1 . . . rr_1a93 2
70 1 . . . rr_1a93 2
71 1 . . . rr_1a93 2
72 1 . . . rr_1a93 2
73 1 . . . rr_1a93 2
74 1 . . . rr_1a93 2
75 1 . . . rr_1a93 2
76 1 . . . rr_1a93 2
77 1 . . . rr_1a93 2
78 1 . . . rr_1a93 2
79 1 . . . rr_1a93 2
80 1 . . . rr_1a93 2
81 1 . . . rr_1a93 2
82 1 . . . rr_1a93 2
83 1 . . . rr_1a93 2
84 1 . . . rr_1a93 2
85 1 . . . rr_1a93 2
86 1 . . . rr_1a93 2
87 1 2 . OR rr_1a93 2
87 2 . 3 . rr_1a93 2
87 3 . . . rr_1a93 2
88 1 . . . rr_1a93 2
89 1 . . . rr_1a93 2
90 1 . . . rr_1a93 2
91 1 . . . rr_1a93 2
92 1 2 . OR rr_1a93 2
92 2 . 3 . rr_1a93 2
92 3 . . . rr_1a93 2
93 1 . . . rr_1a93 2
94 1 . . . rr_1a93 2
95 1 . . . rr_1a93 2
96 1 . . . rr_1a93 2
97 1 . . . rr_1a93 2
98 1 . . . rr_1a93 2
99 1 . . . rr_1a93 2
100 1 . . . rr_1a93 2
101 1 . . . rr_1a93 2
102 1 . . . rr_1a93 2
103 1 . . . rr_1a93 2
104 1 . . . rr_1a93 2
105 1 . . . rr_1a93 2
106 1 . . . rr_1a93 2
107 1 . . . rr_1a93 2
108 1 . . . rr_1a93 2
109 1 2 . OR rr_1a93 2
109 2 . 3 . rr_1a93 2
109 3 . . . rr_1a93 2
110 1 . . . rr_1a93 2
111 1 . . . rr_1a93 2
112 1 . . . rr_1a93 2
113 1 2 . OR rr_1a93 2
113 2 . 3 . rr_1a93 2
113 3 . . . rr_1a93 2
114 1 . . . rr_1a93 2
115 1 . . . rr_1a93 2
116 1 2 . OR rr_1a93 2
116 2 . 3 . rr_1a93 2
116 3 . . . rr_1a93 2
117 1 . . . rr_1a93 2
118 1 . . . rr_1a93 2
119 1 . . . rr_1a93 2
120 1 2 . OR rr_1a93 2
120 2 . 3 . rr_1a93 2
120 3 . . . rr_1a93 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 6 6 GLN HA H . . a . 7 . HA rr_1a93 2
1 1 . 2 . 1 1 9 9 GLU H H . . a . 10 . HN rr_1a93 2
2 1 . 1 . 1 1 7 7 ALA HA H . . a . 8 . HA rr_1a93 2
2 1 . 2 . 1 1 10 10 GLN H H . . a . 11 . HN rr_1a93 2
3 1 . 1 . 1 1 9 9 GLU HA H . . a . 10 . HA rr_1a93 2
3 1 . 2 . 1 1 12 12 LEU H H . . a . 13 . HN rr_1a93 2
4 1 . 1 . 1 1 11 11 LYS HA H . . a . 12 . HA rr_1a93 2
4 1 . 2 . 1 1 14 14 SER H H . . a . 15 . HN rr_1a93 2
5 1 . 1 . 1 1 13 13 ILE HA H . . a . 14 . HA rr_1a93 2
5 1 . 2 . 1 1 16 16 GLU H H . . a . 17 . HN rr_1a93 2
6 1 . 1 . 1 1 14 14 SER HA H . . a . 15 . HA rr_1a93 2
6 1 . 2 . 1 1 17 17 ASP H H . . a . 18 . HN rr_1a93 2
7 1 . 1 . 1 1 17 17 ASP HA H . . a . 18 . HA rr_1a93 2
7 1 . 2 . 1 1 20 20 ARG H H . . a . 21 . HN rr_1a93 2
8 1 . 1 . 1 1 19 19 LEU HA H . . a . 20 . HA rr_1a93 2
8 1 . 2 . 1 1 22 22 ARG H H . . a . 23 . HN rr_1a93 2
9 1 . 1 . 1 1 23 23 ARG HA H . . a . 24 . HA rr_1a93 2
9 1 . 2 . 1 1 26 26 LEU H H . . a . 27 . HN rr_1a93 2
10 1 . 1 . 1 1 24 24 GLU HA H . . a . 25 . HA rr_1a93 2
10 1 . 2 . 1 1 27 27 LYS H H . . a . 28 . HN rr_1a93 2
11 1 . 1 . 1 1 25 25 GLN HA H . . a . 26 . HA rr_1a93 2
11 1 . 2 . 1 1 28 28 HIS H H . . a . 29 . HN rr_1a93 2
12 1 . 1 . 1 1 28 28 HIS HA H . . a . 29 . HA rr_1a93 2
12 1 . 2 . 1 1 31 31 GLU H H . . a . 32 . HN rr_1a93 2
13 1 . 1 . 1 1 5 5 VAL HA H . . a . 6 . HA rr_1a93 2
13 1 . 2 . 1 1 9 9 GLU H H . . a . 10 . HN rr_1a93 2
14 1 . 1 . 1 1 9 9 GLU HA H . . a . 10 . HA rr_1a93 2
14 1 . 2 . 1 1 13 13 ILE H H . . a . 14 . HN rr_1a93 2
15 1 . 1 . 1 1 12 12 LEU HA H . . a . 13 . HA rr_1a93 2
15 1 . 2 . 1 1 16 16 GLU H H . . a . 17 . HN rr_1a93 2
16 1 . 1 . 1 1 13 13 ILE HA H . . a . 14 . HA rr_1a93 2
16 1 . 2 . 1 1 17 17 ASP H H . . a . 18 . HN rr_1a93 2
17 1 . 1 . 1 1 28 28 HIS HA H . . a . 29 . HA rr_1a93 2
17 1 . 2 . 1 1 32 32 GLN H H . . a . 33 . HN rr_1a93 2
18 2 . 1 . 1 1 5 5 VAL HA H . . a . 6 . HA rr_1a93 2
18 2 . 2 . 1 1 8 8 GLU HB2 H . . a . 9 . HB* rr_1a93 2
18 3 . 1 . 1 1 5 5 VAL HA H . . a . 6 . HA rr_1a93 2
18 3 . 2 . 1 1 8 8 GLU HB3 H . . a . 9 . HB* rr_1a93 2
19 1 . 1 . 1 1 6 6 GLN HA H . . a . 7 . HA rr_1a93 2
19 1 . 2 . 1 1 9 9 GLU HB3 H . . a . 10 . HB1 rr_1a93 2
20 1 . 1 . 1 1 6 6 GLN HA H . . a . 7 . HA rr_1a93 2
20 1 . 2 . 1 1 9 9 GLU HB2 H . . a . 10 . HB2 rr_1a93 2
21 1 . 1 . 1 1 10 10 GLN HA H . . a . 11 . HA rr_1a93 2
21 1 . 2 . 1 1 13 13 ILE HB H . . a . 14 . HB rr_1a93 2
22 2 . 1 . 1 1 11 11 LYS HA H . . a . 12 . HA rr_1a93 2
22 2 . 2 . 1 1 14 14 SER HB3 H . . a . 15 . HB rr_1a93 2
22 3 . 1 . 1 1 11 11 LYS HA H . . a . 12 . HA rr_1a93 2
22 3 . 2 . 1 1 14 14 SER HB2 H . . a . 15 . HB rr_1a93 2
23 2 . 1 . 1 1 13 13 ILE HA H . . a . 14 . HA rr_1a93 2
23 2 . 2 . 1 1 16 16 GLU HB2 H . . a . 17 . HB* rr_1a93 2
23 3 . 1 . 1 1 13 13 ILE HA H . . a . 14 . HA rr_1a93 2
23 3 . 2 . 1 1 16 16 GLU HB3 H . . a . 17 . HB* rr_1a93 2
24 1 . 1 . 1 1 14 14 SER HA H . . a . 15 . HA rr_1a93 2
24 1 . 2 . 1 1 17 17 ASP HB3 H . . a . 18 . HB1 rr_1a93 2
25 1 . 1 . 1 1 14 14 SER HA H . . a . 15 . HA rr_1a93 2
25 1 . 2 . 1 1 17 17 ASP HB2 H . . a . 18 . HB2 rr_1a93 2
26 1 . 1 . 1 1 17 17 ASP HA H . . a . 18 . HA rr_1a93 2
26 1 . 2 . 1 1 20 20 ARG HB3 H . . a . 21 . HB1 rr_1a93 2
27 1 . 1 . 1 1 17 17 ASP HA H . . a . 18 . HA rr_1a93 2
27 1 . 2 . 1 1 20 20 ARG HB2 H . . a . 21 . HB2 rr_1a93 2
28 2 . 1 . 1 1 22 22 ARG HA H . . a . 23 . HA rr_1a93 2
28 2 . 2 . 1 1 25 25 GLN HB2 H . . a . 26 . HB* rr_1a93 2
28 3 . 1 . 1 1 22 22 ARG HA H . . a . 23 . HA rr_1a93 2
28 3 . 2 . 1 1 25 25 GLN HB3 H . . a . 26 . HB* rr_1a93 2
29 2 . 1 . 1 1 25 25 GLN HA H . . a . 26 . HA rr_1a93 2
29 2 . 2 . 1 1 28 28 HIS HB3 H . . a . 29 . HB* rr_1a93 2
29 3 . 1 . 1 1 25 25 GLN HA H . . a . 26 . HA rr_1a93 2
29 3 . 2 . 1 1 28 28 HIS HB2 H . . a . 29 . HB* rr_1a93 2
30 2 . 1 . 1 1 28 28 HIS HA H . . a . 29 . HA rr_1a93 2
30 2 . 2 . 1 1 31 31 GLU HB2 H . . a . 32 . HB* rr_1a93 2
30 3 . 1 . 1 1 28 28 HIS HA H . . a . 29 . HA rr_1a93 2
30 3 . 2 . 1 1 31 31 GLU HB3 H . . a . 32 . HB* rr_1a93 2
31 2 . 1 . 1 1 17 17 ASP HA H . . a . 18 . HA rr_1a93 2
31 2 . 2 . 1 1 20 20 ARG HD2 H . . a . 21 . HD* rr_1a93 2
31 3 . 1 . 1 1 17 17 ASP HA H . . a . 18 . HA rr_1a93 2
31 3 . 2 . 1 1 20 20 ARG HD3 H . . a . 21 . HD* rr_1a93 2
32 1 . 1 . 1 1 17 17 ASP HA H . . a . 18 . HA rr_1a93 2
32 1 . 2 . 1 1 20 20 ARG HG3 H . . a . 21 . HG1 rr_1a93 2
33 1 . 1 . 1 1 17 17 ASP HA H . . a . 18 . HA rr_1a93 2
33 1 . 2 . 1 1 20 20 ARG HG2 H . . a . 21 . HG2 rr_1a93 2
34 1 . 1 . 1 1 17 17 ASP HA H . . a . 18 . HA rr_1a93 2
34 1 . 2 . 1 1 20 20 ARG HE H . . a . 21 . HE rr_1a93 2
35 1 . 1 . 1 1 13 13 ILE MD H . . a . 14 . HD1* rr_1a93 2
35 1 . 2 . 1 1 10 10 GLN HA H . . a . 11 . HA rr_1a93 2
36 1 . 1 . 1 1 13 13 ILE MG H . . a . 14 . HG2* rr_1a93 2
36 1 . 2 . 1 1 14 14 SER HA H . . a . 15 . HA rr_1a93 2
37 1 . 1 . 1 1 13 13 ILE MG H . . a . 14 . HG2* rr_1a93 2
37 1 . 2 . 1 1 14 14 SER H H . . a . 15 . HN rr_1a93 2
38 2 . 1 . 1 1 13 13 ILE HG12 H . . a . 14 . HG1* rr_1a93 2
38 2 . 2 . 1 1 14 14 SER H H . . a . 15 . HN rr_1a93 2
38 3 . 1 . 1 1 13 13 ILE HG13 H . . a . 14 . HG1* rr_1a93 2
38 3 . 2 . 1 1 14 14 SER H H . . a . 15 . HN rr_1a93 2
39 1 . 1 . 1 1 13 13 ILE MD H . . a . 14 . HD1* rr_1a93 2
39 1 . 2 . 1 1 14 14 SER H H . . a . 15 . HN rr_1a93 2
40 2 . 1 . 1 1 13 13 ILE MD H . . a . 14 . HD1* rr_1a93 2
40 2 . 2 . 1 1 9 9 GLU HG2 H . . a . 10 . HG* rr_1a93 2
40 3 . 1 . 1 1 13 13 ILE MD H . . a . 14 . HD1* rr_1a93 2
40 3 . 2 . 1 1 9 9 GLU HG3 H . . a . 10 . HG* rr_1a93 2
41 2 . 1 . 1 1 13 13 ILE MD H . . a . 14 . HD1* rr_1a93 2
41 2 . 2 . 1 1 9 9 GLU HB2 H . . a . 10 . HB* rr_1a93 2
41 3 . 1 . 1 1 13 13 ILE MD H . . a . 14 . HD1* rr_1a93 2
41 3 . 2 . 1 1 9 9 GLU HB3 H . . a . 10 . HB* rr_1a93 2
42 1 . 1 . 1 1 22 22 ARG HE H . . a . 23 . HE rr_1a93 2
42 1 . 2 . 1 1 26 26 LEU MD1 H . . a . 27 . HD1* rr_1a93 2
43 1 . 1 . 1 1 22 22 ARG HE H . . a . 23 . HE rr_1a93 2
43 1 . 2 . 1 1 26 26 LEU MD2 H . . a . 27 . HD2* rr_1a93 2
44 2 . 1 . 1 1 22 22 ARG HD2 H . . a . 23 . HD* rr_1a93 2
44 2 . 2 . 1 1 26 26 LEU MD1 H . . a . 27 . HD1* rr_1a93 2
44 3 . 1 . 1 1 22 22 ARG HD3 H . . a . 23 . HD* rr_1a93 2
44 3 . 2 . 1 1 26 26 LEU MD1 H . . a . 27 . HD1* rr_1a93 2
45 1 . 1 . 1 1 28 28 HIS HD2 H . . a . 29 . HD2 rr_1a93 2
45 1 . 2 . 1 1 25 25 GLN HA H . . a . 26 . HA rr_1a93 2
46 2 . 1 . 1 1 28 28 HIS HD2 H . . a . 29 . HD2 rr_1a93 2
46 2 . 2 . 1 1 25 25 GLN HG2 H . . a . 26 . HG* rr_1a93 2
46 3 . 1 . 1 1 28 28 HIS HD2 H . . a . 29 . HD2 rr_1a93 2
46 3 . 2 . 1 1 25 25 GLN HG3 H . . a . 26 . HG* rr_1a93 2
47 2 . 1 . 1 1 28 28 HIS HD2 H . . a . 29 . HD2 rr_1a93 2
47 2 . 2 . 1 1 25 25 GLN HB2 H . . a . 26 . HB* rr_1a93 2
47 3 . 1 . 1 1 28 28 HIS HD2 H . . a . 29 . HD2 rr_1a93 2
47 3 . 2 . 1 1 25 25 GLN HB3 H . . a . 26 . HB* rr_1a93 2
48 1 . 1 . 2 2 6 6 ARG HA H . . b . 7 . HA rr_1a93 2
48 1 . 2 . 2 2 9 9 ASN H H . . b . 10 . HN rr_1a93 2
49 1 . 1 . 2 2 7 7 ARG HA H . . b . 8 . HA rr_1a93 2
49 1 . 2 . 2 2 10 10 ASP H H . . b . 11 . HN rr_1a93 2
50 1 . 1 . 2 2 9 9 ASN HA H . . b . 10 . HA rr_1a93 2
50 1 . 2 . 2 2 12 12 HIS H H . . b . 13 . HN rr_1a93 2
51 1 . 1 . 2 2 10 10 ASP HA H . . b . 11 . HA rr_1a93 2
51 1 . 2 . 2 2 13 13 GLN H H . . b . 14 . HN rr_1a93 2
52 1 . 1 . 2 2 12 12 HIS HA H . . b . 13 . HA rr_1a93 2
52 1 . 2 . 2 2 15 15 ASP H H . . b . 16 . HN rr_1a93 2
53 1 . 1 . 2 2 13 13 GLN HA H . . b . 14 . HA rr_1a93 2
53 1 . 2 . 2 2 16 16 ILE H H . . b . 17 . HN rr_1a93 2
54 1 . 1 . 2 2 14 14 GLN HA H . . b . 15 . HA rr_1a93 2
54 1 . 2 . 2 2 17 17 ASP H H . . b . 18 . HN rr_1a93 2
55 1 . 1 . 2 2 15 15 ASP HA H . . b . 16 . HA rr_1a93 2
55 1 . 2 . 2 2 18 18 ASP H H . . b . 19 . HN rr_1a93 2
56 1 . 1 . 2 2 16 16 ILE HA H . . b . 17 . HA rr_1a93 2
56 1 . 2 . 2 2 19 19 LEU H H . . b . 20 . HN rr_1a93 2
57 1 . 1 . 2 2 17 17 ASP HA H . . b . 18 . HA rr_1a93 2
57 1 . 2 . 2 2 20 20 LYS H H . . b . 21 . HN rr_1a93 2
58 1 . 1 . 2 2 18 18 ASP HA H . . b . 19 . HA rr_1a93 2
58 1 . 2 . 2 2 21 21 ARG H H . . b . 22 . HN rr_1a93 2
59 1 . 1 . 2 2 19 19 LEU HA H . . b . 20 . HA rr_1a93 2
59 1 . 2 . 2 2 22 22 GLN H H . . b . 23 . HN rr_1a93 2
60 1 . 1 . 2 2 20 20 LYS HA H . . b . 21 . HA rr_1a93 2
60 1 . 2 . 2 2 23 23 ASN H H . . b . 24 . HN rr_1a93 2
61 1 . 1 . 2 2 21 21 ARG HA H . . b . 22 . HA rr_1a93 2
61 1 . 2 . 2 2 24 24 ALA H H . . b . 25 . HN rr_1a93 2
62 1 . 1 . 2 2 22 22 GLN HA H . . b . 23 . HA rr_1a93 2
62 1 . 2 . 2 2 25 25 LEU H H . . b . 26 . HN rr_1a93 2
63 1 . 1 . 2 2 23 23 ASN HA H . . b . 24 . HA rr_1a93 2
63 1 . 2 . 2 2 26 26 LEU H H . . b . 27 . HN rr_1a93 2
64 1 . 1 . 2 2 24 24 ALA HA H . . b . 25 . HA rr_1a93 2
64 1 . 2 . 2 2 27 27 GLU H H . . b . 28 . HN rr_1a93 2
65 1 . 1 . 2 2 25 25 LEU HA H . . b . 26 . HA rr_1a93 2
65 1 . 2 . 2 2 28 28 GLN H H . . b . 29 . HN rr_1a93 2
66 1 . 1 . 2 2 26 26 LEU HA H . . b . 27 . HA rr_1a93 2
66 1 . 2 . 2 2 29 29 GLN H H . . b . 30 . HN rr_1a93 2
67 1 . 1 . 2 2 27 27 GLU HA H . . b . 28 . HA rr_1a93 2
67 1 . 2 . 2 2 30 30 VAL H H . . b . 31 . HN rr_1a93 2
68 1 . 1 . 2 2 29 29 GLN HA H . . b . 30 . HA rr_1a93 2
68 1 . 2 . 2 2 32 32 ALA H H . . b . 33 . HN rr_1a93 2
69 1 . 1 . 2 2 30 30 VAL HA H . . b . 31 . HA rr_1a93 2
69 1 . 2 . 2 2 33 33 LEU H H . . b . 34 . HN rr_1a93 2
70 1 . 1 . 2 2 9 9 ASN HA H . . b . 10 . HA rr_1a93 2
70 1 . 2 . 2 2 13 13 GLN H H . . b . 14 . HN rr_1a93 2
71 1 . 1 . 2 2 12 12 HIS HA H . . b . 13 . HA rr_1a93 2
71 1 . 2 . 2 2 16 16 ILE H H . . b . 17 . HN rr_1a93 2
72 1 . 1 . 2 2 13 13 GLN HA H . . b . 14 . HA rr_1a93 2
72 1 . 2 . 2 2 17 17 ASP H H . . b . 18 . HN rr_1a93 2
73 1 . 1 . 2 2 16 16 ILE HA H . . b . 17 . HA rr_1a93 2
73 1 . 2 . 2 2 20 20 LYS H H . . b . 21 . HN rr_1a93 2
74 1 . 1 . 2 2 17 17 ASP HA H . . b . 18 . HA rr_1a93 2
74 1 . 2 . 2 2 21 21 ARG H H . . b . 22 . HN rr_1a93 2
75 1 . 1 . 2 2 18 18 ASP HA H . . b . 19 . HA rr_1a93 2
75 1 . 2 . 2 2 22 22 GLN H H . . b . 23 . HN rr_1a93 2
76 1 . 1 . 2 2 19 19 LEU HA H . . b . 20 . HA rr_1a93 2
76 1 . 2 . 2 2 23 23 ASN H H . . b . 24 . HN rr_1a93 2
77 1 . 1 . 2 2 20 20 LYS HA H . . b . 21 . HA rr_1a93 2
77 1 . 2 . 2 2 24 24 ALA H H . . b . 25 . HN rr_1a93 2
78 1 . 1 . 2 2 23 23 ASN HA H . . b . 24 . HA rr_1a93 2
78 1 . 2 . 2 2 27 27 GLU H H . . b . 28 . HN rr_1a93 2
79 1 . 1 . 2 2 25 25 LEU HA H . . b . 26 . HA rr_1a93 2
79 1 . 2 . 2 2 29 29 GLN H H . . b . 30 . HN rr_1a93 2
80 1 . 1 . 2 2 27 27 GLU HA H . . b . 28 . HA rr_1a93 2
80 1 . 2 . 2 2 31 31 ARG H H . . b . 32 . HN rr_1a93 2
81 1 . 1 . 2 2 6 6 ARG HA H . . b . 7 . HA rr_1a93 2
81 1 . 2 . 2 2 9 9 ASN HB3 H . . b . 10 . HB1 rr_1a93 2
82 1 . 1 . 2 2 6 6 ARG HA H . . b . 7 . HA rr_1a93 2
82 1 . 2 . 2 2 9 9 ASN HB2 H . . b . 10 . HB2 rr_1a93 2
83 1 . 1 . 2 2 7 7 ARG HA H . . b . 8 . HA rr_1a93 2
83 1 . 2 . 2 2 10 10 ASP HB3 H . . b . 11 . HB1 rr_1a93 2
84 1 . 1 . 2 2 7 7 ARG HA H . . b . 8 . HA rr_1a93 2
84 1 . 2 . 2 2 10 10 ASP HB2 H . . b . 11 . HB2 rr_1a93 2
85 1 . 1 . 2 2 9 9 ASN HA H . . b . 10 . HA rr_1a93 2
85 1 . 2 . 2 2 12 12 HIS HB3 H . . b . 13 . HB1 rr_1a93 2
86 1 . 1 . 2 2 9 9 ASN HA H . . b . 10 . HA rr_1a93 2
86 1 . 2 . 2 2 12 12 HIS HB2 H . . b . 13 . HB2 rr_1a93 2
87 2 . 1 . 2 2 10 10 ASP HA H . . b . 11 . HA rr_1a93 2
87 2 . 2 . 2 2 13 13 GLN HB2 H . . b . 14 . HB* rr_1a93 2
87 3 . 1 . 2 2 10 10 ASP HA H . . b . 11 . HA rr_1a93 2
87 3 . 2 . 2 2 13 13 GLN HB3 H . . b . 14 . HB* rr_1a93 2
88 1 . 1 . 2 2 12 12 HIS HA H . . b . 13 . HA rr_1a93 2
88 1 . 2 . 2 2 15 15 ASP HB3 H . . b . 16 . HB1 rr_1a93 2
89 1 . 1 . 2 2 12 12 HIS HA H . . b . 13 . HA rr_1a93 2
89 1 . 2 . 2 2 15 15 ASP HB2 H . . b . 16 . HB2 rr_1a93 2
90 1 . 1 . 2 2 14 14 GLN HA H . . b . 15 . HA rr_1a93 2
90 1 . 2 . 2 2 17 17 ASP HB3 H . . b . 18 . HB1 rr_1a93 2
91 1 . 1 . 2 2 14 14 GLN HA H . . b . 15 . HA rr_1a93 2
91 1 . 2 . 2 2 17 17 ASP HB2 H . . b . 18 . HB2 rr_1a93 2
92 2 . 1 . 2 2 15 15 ASP HA H . . b . 16 . HA rr_1a93 2
92 2 . 2 . 2 2 18 18 ASP HB3 H . . b . 19 . HB* rr_1a93 2
92 3 . 1 . 2 2 15 15 ASP HA H . . b . 16 . HA rr_1a93 2
92 3 . 2 . 2 2 18 18 ASP HB2 H . . b . 19 . HB* rr_1a93 2
93 1 . 1 . 2 2 16 16 ILE HA H . . b . 17 . HA rr_1a93 2
93 1 . 2 . 2 2 19 19 LEU HB3 H . . b . 20 . HB1 rr_1a93 2
94 1 . 1 . 2 2 16 16 ILE HA H . . b . 17 . HA rr_1a93 2
94 1 . 2 . 2 2 19 19 LEU HB2 H . . b . 20 . HB2 rr_1a93 2
95 1 . 1 . 2 2 17 17 ASP HA H . . b . 18 . HA rr_1a93 2
95 1 . 2 . 2 2 20 20 LYS HB3 H . . b . 21 . HB1 rr_1a93 2
96 1 . 1 . 2 2 17 17 ASP HA H . . b . 18 . HA rr_1a93 2
96 1 . 2 . 2 2 20 20 LYS HB2 H . . b . 21 . HB2 rr_1a93 2
97 1 . 1 . 2 2 18 18 ASP HA H . . b . 19 . HA rr_1a93 2
97 1 . 2 . 2 2 21 21 ARG HB3 H . . b . 22 . HB1 rr_1a93 2
98 1 . 1 . 2 2 18 18 ASP HA H . . b . 19 . HA rr_1a93 2
98 1 . 2 . 2 2 21 21 ARG HB2 H . . b . 22 . HB2 rr_1a93 2
99 1 . 1 . 2 2 20 20 LYS HA H . . b . 21 . HA rr_1a93 2
99 1 . 2 . 2 2 23 23 ASN HB3 H . . b . 24 . HB1 rr_1a93 2
100 1 . 1 . 2 2 20 20 LYS HA H . . b . 21 . HA rr_1a93 2
100 1 . 2 . 2 2 23 23 ASN HB2 H . . b . 24 . HB2 rr_1a93 2
101 1 . 1 . 2 2 23 23 ASN HA H . . b . 24 . HA rr_1a93 2
101 1 . 2 . 2 2 26 26 LEU HB3 H . . b . 27 . HB1 rr_1a93 2
102 1 . 1 . 2 2 23 23 ASN HA H . . b . 24 . HA rr_1a93 2
102 1 . 2 . 2 2 26 26 LEU HB2 H . . b . 27 . HB2 rr_1a93 2
103 1 . 1 . 2 2 27 27 GLU HA H . . b . 28 . HA rr_1a93 2
103 1 . 2 . 2 2 30 30 VAL HB H . . b . 31 . HB rr_1a93 2
104 1 . 1 . 2 2 30 30 VAL HA H . . b . 31 . HA rr_1a93 2
104 1 . 2 . 2 2 33 33 LEU HB3 H . . b . 34 . HB1 rr_1a93 2
105 1 . 1 . 2 2 30 30 VAL HA H . . b . 31 . HA rr_1a93 2
105 1 . 2 . 2 2 33 33 LEU HB2 H . . b . 34 . HB2 rr_1a93 2
106 1 . 1 . 2 2 9 9 ASN HA H . . b . 10 . HA rr_1a93 2
106 1 . 2 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 2
107 1 . 1 . 2 2 11 11 THR MG H . . b . 12 . HG* rr_1a93 2
107 1 . 2 . 2 2 8 8 LYS HA H . . b . 9 . HA rr_1a93 2
108 1 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 2
108 1 . 2 . 2 2 9 9 ASN HA H . . b . 10 . HA rr_1a93 2
109 2 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 2
109 2 . 2 . 2 2 9 9 ASN HB3 H . . b . 10 . HB* rr_1a93 2
109 3 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 2
109 3 . 2 . 2 2 9 9 ASN HB2 H . . b . 10 . HB* rr_1a93 2
110 1 . 1 . 2 2 16 16 ILE HA H . . b . 17 . HA rr_1a93 2
110 1 . 2 . 2 2 19 19 LEU MD1 H . . b . 20 . HD1* rr_1a93 2
111 1 . 1 . 2 2 16 16 ILE HA H . . b . 17 . HA rr_1a93 2
111 1 . 2 . 2 2 19 19 LEU HG H . . b . 20 . HG rr_1a93 2
112 1 . 1 . 2 2 16 16 ILE MG H . . b . 17 . HG2* rr_1a93 2
112 1 . 2 . 2 2 17 17 ASP HA H . . b . 18 . HA rr_1a93 2
113 2 . 1 . 2 2 17 17 ASP HA H . . b . 18 . HA rr_1a93 2
113 2 . 2 . 2 2 20 20 LYS HG2 H . . b . 21 . HG* rr_1a93 2
113 3 . 1 . 2 2 17 17 ASP HA H . . b . 18 . HA rr_1a93 2
113 3 . 2 . 2 2 20 20 LYS HG3 H . . b . 21 . HG* rr_1a93 2
114 1 . 1 . 2 2 22 22 GLN HE22 H . . b . 23 . HE22 rr_1a93 2
114 1 . 2 . 2 2 26 26 LEU MD2 H . . b . 27 . HD2* rr_1a93 2
115 1 . 1 . 2 2 23 23 ASN HA H . . b . 24 . HA rr_1a93 2
115 1 . 2 . 2 2 26 26 LEU MD1 H . . b . 27 . HD1* rr_1a93 2
116 2 . 1 . 2 2 27 27 GLU HG2 H . . b . 28 . HG* rr_1a93 2
116 2 . 2 . 2 2 28 28 GLN H H . . b . 29 . HN rr_1a93 2
116 3 . 1 . 2 2 27 27 GLU HG3 H . . b . 28 . HG* rr_1a93 2
116 3 . 2 . 2 2 28 28 GLN H H . . b . 29 . HN rr_1a93 2
117 1 . 1 . 2 2 27 27 GLU HA H . . b . 28 . HA rr_1a93 2
117 1 . 2 . 2 2 30 30 VAL MG1 H . . b . 31 . HG1* rr_1a93 2
118 1 . 1 . 2 2 30 30 VAL MG1 H . . b . 31 . HG1* rr_1a93 2
118 1 . 2 . 2 2 31 31 ARG H H . . b . 32 . HN rr_1a93 2
119 1 . 1 . 2 2 30 30 VAL MG2 H . . b . 31 . HG2* rr_1a93 2
119 1 . 2 . 2 2 31 31 ARG H H . . b . 32 . HN rr_1a93 2
120 2 . 1 . 2 2 30 30 VAL HA H . . b . 31 . HA rr_1a93 2
120 2 . 2 . 2 2 33 33 LEU MD1 H . . b . 34 . HD* rr_1a93 2
120 3 . 1 . 2 2 30 30 VAL HA H . . b . 31 . HA rr_1a93 2
120 3 . 2 . 2 2 33 33 LEU MD2 H . . b . 34 . HD* rr_1a93 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 . . . . . . 4.0 1.8 4.5 rr_1a93 2
2 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
3 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
4 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
5 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
6 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
7 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
8 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
9 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
10 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
11 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
12 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
13 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
14 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
15 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
16 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
17 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
18 2 . . . . . . 4.0 1.8 5.5 rr_1a93 2
18 3 . . . . . . 4.0 1.8 5.5 rr_1a93 2
19 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
20 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
21 1 . . . . . . 4.0 3.0 4.5 rr_1a93 2
22 2 . . . . . . 2.8 1.8 3.3 rr_1a93 2
22 3 . . . . . . 2.8 1.8 3.3 rr_1a93 2
23 2 . . . . . . 4.0 1.8 5.0 rr_1a93 2
23 3 . . . . . . 4.0 1.8 5.0 rr_1a93 2
24 1 . . . . . . 2.8 1.8 3.3 rr_1a93 2
25 1 . . . . . . 2.8 1.8 3.3 rr_1a93 2
26 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
27 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
28 2 . . . . . . 4.0 1.8 5.0 rr_1a93 2
28 3 . . . . . . 4.0 1.8 5.0 rr_1a93 2
29 2 . . . . . . 2.8 1.8 3.8 rr_1a93 2
29 3 . . . . . . 2.8 1.8 3.8 rr_1a93 2
30 2 . . . . . . 4.0 1.8 5.0 rr_1a93 2
30 3 . . . . . . 4.0 1.8 5.0 rr_1a93 2
31 2 . . . . . . 2.8 1.8 4.3 rr_1a93 2
31 3 . . . . . . 2.8 1.8 4.3 rr_1a93 2
32 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
33 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
34 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
35 1 . . . . . . 3.5 1.8 4.5 rr_1a93 2
36 1 . . . . . . 3.5 1.8 4.5 rr_1a93 2
37 1 . . . . . . 3.5 1.8 4.5 rr_1a93 2
38 2 . . . . . . 3.5 1.8 4.5 rr_1a93 2
38 3 . . . . . . 3.5 1.8 4.5 rr_1a93 2
39 1 . . . . . . 4.5 1.8 5.5 rr_1a93 2
40 2 . . . . . . 3.5 1.8 5.0 rr_1a93 2
40 3 . . . . . . 3.5 1.8 5.0 rr_1a93 2
41 2 . . . . . . 4.5 1.8 6.0 rr_1a93 2
41 3 . . . . . . 4.5 1.8 6.0 rr_1a93 2
42 1 . . . . . . 4.0 1.8 5.0 rr_1a93 2
43 1 . . . . . . 4.0 1.8 5.0 rr_1a93 2
44 2 . . . . . . 4.0 1.8 5.5 rr_1a93 2
44 3 . . . . . . 4.0 1.8 5.5 rr_1a93 2
45 1 . . . . . . 3.5 1.8 4.0 rr_1a93 2
46 2 . . . . . . 4.5 1.8 5.0 rr_1a93 2
46 3 . . . . . . 4.5 1.8 5.0 rr_1a93 2
47 2 . . . . . . 4.5 1.8 5.0 rr_1a93 2
47 3 . . . . . . 4.5 1.8 5.0 rr_1a93 2
48 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
49 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
50 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
51 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
52 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
53 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
54 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
55 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
56 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
57 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
58 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
59 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
60 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
61 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
62 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
63 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
64 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
65 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
66 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
67 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
68 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
69 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
70 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
71 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
72 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
73 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
74 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
75 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
76 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
77 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
78 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
79 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
80 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
81 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
82 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
83 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
84 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
85 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
86 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
87 2 . . . . . . 4.0 1.8 5.5 rr_1a93 2
87 3 . . . . . . 4.0 1.8 5.5 rr_1a93 2
88 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
89 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
90 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
91 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
92 2 . . . . . . 4.0 1.8 5.0 rr_1a93 2
92 3 . . . . . . 4.0 1.8 5.0 rr_1a93 2
93 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
94 1 . . . . . . 2.8 1.8 3.3 rr_1a93 2
95 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
96 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
97 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
98 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
99 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
100 1 . . . . . . 2.8 1.8 3.3 rr_1a93 2
101 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
102 1 . . . . . . 2.8 1.8 3.3 rr_1a93 2
103 1 . . . . . . 2.8 1.8 3.3 rr_1a93 2
104 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
105 1 . . . . . . 4.0 1.8 4.5 rr_1a93 2
106 1 . . . . . . 2.5 1.8 3.0 rr_1a93 2
107 1 . . . . . . 4.0 1.8 5.0 rr_1a93 2
108 1 . . . . . . 2.5 1.8 3.0 rr_1a93 2
109 2 . . . . . . 4.0 1.8 5.0 rr_1a93 2
109 3 . . . . . . 4.0 1.8 5.0 rr_1a93 2
110 1 . . . . . . 3.0 1.8 3.5 rr_1a93 2
111 1 . . . . . . 3.5 1.8 4.0 rr_1a93 2
112 1 . . . . . . 3.0 1.8 3.5 rr_1a93 2
113 2 . . . . . . 4.0 1.8 5.0 rr_1a93 2
113 3 . . . . . . 4.0 1.8 5.0 rr_1a93 2
114 1 . . . . . . 4.0 1.8 5.0 rr_1a93 2
115 1 . . . . . . 3.5 1.8 4.5 rr_1a93 2
116 2 . . . . . . 3.5 1.8 4.0 rr_1a93 2
116 3 . . . . . . 3.5 1.8 4.0 rr_1a93 2
117 1 . . . . . . 3.5 1.8 4.5 rr_1a93 2
118 1 . . . . . . 3.5 1.8 4.5 rr_1a93 2
119 1 . . . . . . 4.5 1.8 5.5 rr_1a93 2
120 2 . . . . . . 4.0 1.8 6.0 rr_1a93 2
120 3 . . . . . . 4.0 1.8 6.0 rr_1a93 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 CaH(i)-NH(i+3) 1 1 1 16 rr_1a93 2
2 CaH(i)-NH(i+4) 16 1 16 16 rr_1a93 2
3 CaH(i)-CbH(i+3) 24 1 24 17 rr_1a93 2
4 asp-18 41 1 41 8 rr_1a93 2
5 Ile-14 48 1 48 8 rr_1a93 2
6 Arg-23 58 1 58 8 rr_1a93 2
7 His-29 66 1 66 8 rr_1a93 2
8 CaH(i)-NH(i+3) 74 1 74 16 rr_1a93 2
9 CaH(i)-NH(i+4) 98 1 98 16 rr_1a93 2
10 CaH(i)-CbH(i+3) 112 1 112 17 rr_1a93 2
11 asn-10 140 1 140 8 rr_1a93 2
12
;Thr-12 HG*
assign ( resid 12 and name HG* and segid "b" )( resid 13 and name HB* and segid "b" ) 4.0 1.2 1.5
;
143 1 144 99 rr_1a93 2
13 "His-13 HD2" 147 1 147 12 rr_1a93 2
14 Ile-17 151 1 151 8 rr_1a93 2
15 Asp-18 156 1 156 8 rr_1a93 2
16 Gln-23 159 1 159 8 rr_1a93 2
17 Asn-24 162 1 162 8 rr_1a93 2
18
;assign ( resid 24 and name HD21 and segid "b" )( resid 21 and name HA and segid "b" ) 4.5 2.7 0.5
Glu-28
;
164 1 166 8 rr_1a93 2
19 Val-31 170 1 170 8 rr_1a93 2
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_1a93
_Distance_constraint_list.ID 3
_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 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_1a93 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_1a93 3
2 1 . . . rr_1a93 3
3 1 . . . rr_1a93 3
4 1 . . . rr_1a93 3
5 1 . . . rr_1a93 3
6 1 . . . rr_1a93 3
7 1 . . . rr_1a93 3
8 1 . . . rr_1a93 3
9 1 . . . rr_1a93 3
10 1 . . . rr_1a93 3
11 1 . . . rr_1a93 3
12 1 . . . rr_1a93 3
13 1 . . . rr_1a93 3
14 1 . . . rr_1a93 3
15 1 . . . rr_1a93 3
16 1 . . . rr_1a93 3
17 1 . . . rr_1a93 3
18 1 . . . rr_1a93 3
19 1 . . . rr_1a93 3
20 1 . . . rr_1a93 3
21 1 . . . rr_1a93 3
22 1 . . . rr_1a93 3
23 1 . . . rr_1a93 3
24 1 . . . rr_1a93 3
25 1 . . . rr_1a93 3
26 1 2 . OR rr_1a93 3
26 2 . 3 . rr_1a93 3
26 3 . . . rr_1a93 3
27 1 . . . rr_1a93 3
28 1 2 . OR rr_1a93 3
28 2 . 3 . rr_1a93 3
28 3 . . . rr_1a93 3
29 1 . . . rr_1a93 3
30 1 2 . OR rr_1a93 3
30 2 . 3 . rr_1a93 3
30 3 . . . rr_1a93 3
31 1 . . . rr_1a93 3
32 1 2 . OR rr_1a93 3
32 2 . 3 . rr_1a93 3
32 3 . . . rr_1a93 3
33 1 2 . OR rr_1a93 3
33 2 . 3 . rr_1a93 3
33 3 . . . rr_1a93 3
34 1 . . . rr_1a93 3
35 1 2 . OR rr_1a93 3
35 2 . 3 . rr_1a93 3
35 3 . . . rr_1a93 3
36 1 2 . OR rr_1a93 3
36 2 . 3 . rr_1a93 3
36 3 . . . rr_1a93 3
37 1 . . . rr_1a93 3
38 1 . . . rr_1a93 3
39 1 . . . rr_1a93 3
40 1 . . . rr_1a93 3
41 1 . . . rr_1a93 3
42 1 2 . OR rr_1a93 3
42 2 . 3 . rr_1a93 3
42 3 . . . rr_1a93 3
43 1 . . . rr_1a93 3
44 1 . . . rr_1a93 3
45 1 . . . rr_1a93 3
46 1 . . . rr_1a93 3
47 1 . . . rr_1a93 3
48 1 . . . rr_1a93 3
49 1 . . . rr_1a93 3
50 1 2 . OR rr_1a93 3
50 2 . 3 . rr_1a93 3
50 3 . . . rr_1a93 3
51 1 . . . rr_1a93 3
52 1 . . . rr_1a93 3
53 1 . . . rr_1a93 3
54 1 . . . rr_1a93 3
55 1 . . . rr_1a93 3
56 1 . . . rr_1a93 3
57 1 . . . rr_1a93 3
58 1 . . . rr_1a93 3
59 1 . . . rr_1a93 3
60 1 . . . rr_1a93 3
61 1 . . . rr_1a93 3
62 1 . . . rr_1a93 3
63 1 . . . rr_1a93 3
64 1 . . . rr_1a93 3
65 1 . . . rr_1a93 3
66 1 . . . rr_1a93 3
67 1 . . . rr_1a93 3
68 1 . . . rr_1a93 3
69 1 . . . rr_1a93 3
70 1 . . . rr_1a93 3
71 1 . . . rr_1a93 3
72 1 2 . OR rr_1a93 3
72 2 . 3 . rr_1a93 3
72 3 . . . rr_1a93 3
73 1 . . . rr_1a93 3
74 1 . . . rr_1a93 3
75 1 . . . rr_1a93 3
76 1 . . . rr_1a93 3
77 1 . . . rr_1a93 3
78 1 . . . rr_1a93 3
79 1 . . . rr_1a93 3
80 1 . . . rr_1a93 3
81 1 . . . rr_1a93 3
82 1 . . . rr_1a93 3
83 1 . . . rr_1a93 3
84 1 . . . rr_1a93 3
85 1 . . . rr_1a93 3
86 1 . . . rr_1a93 3
87 1 . . . rr_1a93 3
88 1 . . . rr_1a93 3
89 1 . . . rr_1a93 3
90 1 . . . rr_1a93 3
91 1 . . . rr_1a93 3
92 1 . . . rr_1a93 3
93 1 2 . OR rr_1a93 3
93 2 . 3 . rr_1a93 3
93 3 . . . rr_1a93 3
94 1 2 . OR rr_1a93 3
94 2 . 3 . rr_1a93 3
94 3 . 4 . rr_1a93 3
94 4 . 5 . rr_1a93 3
94 5 . . . rr_1a93 3
95 1 2 . OR rr_1a93 3
95 2 . 3 . rr_1a93 3
95 3 . 4 . rr_1a93 3
95 4 . 5 . rr_1a93 3
95 5 . . . rr_1a93 3
96 1 . . . rr_1a93 3
97 1 . . . rr_1a93 3
98 1 . . . rr_1a93 3
99 1 . . . rr_1a93 3
100 1 . . . rr_1a93 3
101 1 2 . OR rr_1a93 3
101 2 . 3 . rr_1a93 3
101 3 . . . rr_1a93 3
102 1 2 . OR rr_1a93 3
102 2 . 3 . rr_1a93 3
102 3 . . . rr_1a93 3
103 1 . . . rr_1a93 3
104 1 . . . rr_1a93 3
105 1 . . . rr_1a93 3
106 1 . . . rr_1a93 3
107 1 . . . rr_1a93 3
108 1 . . . rr_1a93 3
109 1 . . . rr_1a93 3
110 1 . . . rr_1a93 3
111 1 . . . rr_1a93 3
112 1 . . . rr_1a93 3
113 1 . . . rr_1a93 3
114 1 . . . rr_1a93 3
115 1 . . . rr_1a93 3
116 1 . . . rr_1a93 3
117 1 . . . rr_1a93 3
118 1 . . . rr_1a93 3
119 1 . . . rr_1a93 3
120 1 . . . rr_1a93 3
121 1 . . . rr_1a93 3
122 1 . . . rr_1a93 3
123 1 . . . rr_1a93 3
124 1 . . . rr_1a93 3
125 1 . . . rr_1a93 3
126 1 . . . rr_1a93 3
127 1 2 . OR rr_1a93 3
127 2 . 3 . rr_1a93 3
127 3 . . . rr_1a93 3
128 1 . . . rr_1a93 3
129 1 . . . rr_1a93 3
130 1 . . . rr_1a93 3
131 1 . . . rr_1a93 3
132 1 . . . rr_1a93 3
133 1 . . . rr_1a93 3
134 1 . . . rr_1a93 3
135 1 . . . rr_1a93 3
136 1 . . . rr_1a93 3
137 1 . . . rr_1a93 3
138 1 . . . rr_1a93 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 5 5 VAL H H . . a . 6 . HN rr_1a93 3
1 1 . 2 . 1 1 5 5 VAL HB H . . a . 6 . HB rr_1a93 3
2 1 . 1 . 1 1 5 5 VAL H H . . a . 6 . HN rr_1a93 3
2 1 . 2 . 1 1 5 5 VAL HA H . . a . 6 . HA rr_1a93 3
3 1 . 1 . 1 1 5 5 VAL HA H . . a . 6 . HA rr_1a93 3
3 1 . 2 . 1 1 5 5 VAL MG1 H . . a . 6 . HG1* rr_1a93 3
4 1 . 1 . 1 1 5 5 VAL HA H . . a . 6 . HA rr_1a93 3
4 1 . 2 . 1 1 5 5 VAL MG2 H . . a . 6 . HG2* rr_1a93 3
5 1 . 1 . 1 1 5 5 VAL HA H . . a . 6 . HA rr_1a93 3
5 1 . 2 . 1 1 5 5 VAL HB H . . a . 6 . HB rr_1a93 3
6 1 . 1 . 1 1 6 6 GLN H H . . a . 7 . HN rr_1a93 3
6 1 . 2 . 1 1 6 6 GLN HA H . . a . 7 . HA rr_1a93 3
7 1 . 1 . 1 1 7 7 ALA H H . . a . 8 . HN rr_1a93 3
7 1 . 2 . 1 1 7 7 ALA HA H . . a . 8 . HA rr_1a93 3
8 1 . 1 . 1 1 9 9 GLU H H . . a . 10 . HN rr_1a93 3
8 1 . 2 . 1 1 9 9 GLU HA H . . a . 10 . HA rr_1a93 3
9 1 . 1 . 1 1 12 12 LEU H H . . a . 13 . HN rr_1a93 3
9 1 . 2 . 1 1 12 12 LEU HB3 H . . a . 13 . HB1 rr_1a93 3
10 1 . 1 . 1 1 12 12 LEU H H . . a . 13 . HN rr_1a93 3
10 1 . 2 . 1 1 12 12 LEU HB2 H . . a . 13 . HB2 rr_1a93 3
11 1 . 1 . 1 1 12 12 LEU HA H . . a . 13 . HA rr_1a93 3
11 1 . 2 . 1 1 12 12 LEU MD2 H . . a . 13 . HD2* rr_1a93 3
12 1 . 1 . 1 1 12 12 LEU HA H . . a . 13 . HA rr_1a93 3
12 1 . 2 . 1 1 12 12 LEU MD1 H . . a . 13 . HD1* rr_1a93 3
13 1 . 1 . 1 1 13 13 ILE H H . . a . 14 . HN rr_1a93 3
13 1 . 2 . 1 1 13 13 ILE HA H . . a . 14 . HA rr_1a93 3
14 1 . 1 . 1 1 13 13 ILE H H . . a . 14 . HN rr_1a93 3
14 1 . 2 . 1 1 13 13 ILE HB H . . a . 14 . HB rr_1a93 3
15 1 . 1 . 1 1 13 13 ILE HA H . . a . 14 . HA rr_1a93 3
15 1 . 2 . 1 1 13 13 ILE HB H . . a . 14 . HB rr_1a93 3
16 1 . 1 . 1 1 13 13 ILE HA H . . a . 14 . HA rr_1a93 3
16 1 . 2 . 1 1 13 13 ILE MD H . . a . 14 . HD1* rr_1a93 3
17 1 . 1 . 1 1 13 13 ILE HA H . . a . 14 . HA rr_1a93 3
17 1 . 2 . 1 1 13 13 ILE MG H . . a . 14 . HG2* rr_1a93 3
18 1 . 1 . 1 1 14 14 SER HA H . . a . 15 . HA rr_1a93 3
18 1 . 2 . 1 1 14 14 SER H H . . a . 15 . HN rr_1a93 3
19 1 . 1 . 1 1 15 15 GLU HA H . . a . 16 . HA rr_1a93 3
19 1 . 2 . 1 1 15 15 GLU H H . . a . 16 . HN rr_1a93 3
20 1 . 1 . 1 1 18 18 LEU HA H . . a . 19 . HA rr_1a93 3
20 1 . 2 . 1 1 18 18 LEU H H . . a . 19 . HN rr_1a93 3
21 1 . 1 . 1 1 19 19 LEU H H . . a . 20 . HN rr_1a93 3
21 1 . 2 . 1 1 19 19 LEU HA H . . a . 20 . HA rr_1a93 3
22 1 . 1 . 1 1 19 19 LEU H H . . a . 20 . HN rr_1a93 3
22 1 . 2 . 1 1 19 19 LEU HB3 H . . a . 20 . HB1 rr_1a93 3
23 1 . 1 . 1 1 19 19 LEU H H . . a . 20 . HN rr_1a93 3
23 1 . 2 . 1 1 19 19 LEU HB2 H . . a . 20 . HB2 rr_1a93 3
24 1 . 1 . 1 1 19 19 LEU H H . . a . 20 . HN rr_1a93 3
24 1 . 2 . 1 1 19 19 LEU HB3 H . . a . 20 . HB1 rr_1a93 3
25 1 . 1 . 1 1 20 20 ARG HA H . . a . 21 . HA rr_1a93 3
25 1 . 2 . 1 1 20 20 ARG H H . . a . 21 . HN rr_1a93 3
26 2 . 1 . 1 1 20 20 ARG H H . . a . 21 . HN rr_1a93 3
26 2 . 2 . 1 1 20 20 ARG HB2 H . . a . 21 . HB* rr_1a93 3
26 3 . 1 . 1 1 20 20 ARG H H . . a . 21 . HN rr_1a93 3
26 3 . 2 . 1 1 20 20 ARG HB3 H . . a . 21 . HB* rr_1a93 3
27 1 . 1 . 1 1 22 22 ARG H H . . a . 23 . HN rr_1a93 3
27 1 . 2 . 1 1 22 22 ARG HA H . . a . 23 . HA rr_1a93 3
28 2 . 1 . 1 1 22 22 ARG H H . . a . 23 . HN rr_1a93 3
28 2 . 2 . 1 1 22 22 ARG HB2 H . . a . 23 . HB* rr_1a93 3
28 3 . 1 . 1 1 22 22 ARG H H . . a . 23 . HN rr_1a93 3
28 3 . 2 . 1 1 22 22 ARG HB3 H . . a . 23 . HB* rr_1a93 3
29 1 . 1 . 1 1 23 23 ARG H H . . a . 24 . HN rr_1a93 3
29 1 . 2 . 1 1 23 23 ARG HA H . . a . 24 . HA rr_1a93 3
30 2 . 1 . 1 1 23 23 ARG H H . . a . 24 . HN rr_1a93 3
30 2 . 2 . 1 1 23 23 ARG HB2 H . . a . 24 . HB* rr_1a93 3
30 3 . 1 . 1 1 23 23 ARG H H . . a . 24 . HN rr_1a93 3
30 3 . 2 . 1 1 23 23 ARG HB3 H . . a . 24 . HB* rr_1a93 3
31 1 . 1 . 1 1 24 24 GLU H H . . a . 25 . HN rr_1a93 3
31 1 . 2 . 1 1 24 24 GLU HA H . . a . 25 . HA rr_1a93 3
32 2 . 1 . 1 1 24 24 GLU H H . . a . 25 . HN rr_1a93 3
32 2 . 2 . 1 1 24 24 GLU HB2 H . . a . 25 . HB* rr_1a93 3
32 3 . 1 . 1 1 24 24 GLU H H . . a . 25 . HN rr_1a93 3
32 3 . 2 . 1 1 24 24 GLU HB3 H . . a . 25 . HB* rr_1a93 3
33 2 . 1 . 1 1 24 24 GLU H H . . a . 25 . HN rr_1a93 3
33 2 . 2 . 1 1 24 24 GLU HG2 H . . a . 25 . HG* rr_1a93 3
33 3 . 1 . 1 1 24 24 GLU H H . . a . 25 . HN rr_1a93 3
33 3 . 2 . 1 1 24 24 GLU HG3 H . . a . 25 . HG* rr_1a93 3
34 1 . 1 . 1 1 25 25 GLN H H . . a . 26 . HN rr_1a93 3
34 1 . 2 . 1 1 25 25 GLN HA H . . a . 26 . HA rr_1a93 3
35 2 . 1 . 1 1 25 25 GLN H H . . a . 26 . HN rr_1a93 3
35 2 . 2 . 1 1 25 25 GLN HB2 H . . a . 26 . HB* rr_1a93 3
35 3 . 1 . 1 1 25 25 GLN H H . . a . 26 . HN rr_1a93 3
35 3 . 2 . 1 1 25 25 GLN HB3 H . . a . 26 . HB* rr_1a93 3
36 2 . 1 . 1 1 25 25 GLN H H . . a . 26 . HN rr_1a93 3
36 2 . 2 . 1 1 25 25 GLN HG2 H . . a . 26 . HG* rr_1a93 3
36 3 . 1 . 1 1 25 25 GLN H H . . a . 26 . HN rr_1a93 3
36 3 . 2 . 1 1 25 25 GLN HG3 H . . a . 26 . HG* rr_1a93 3
37 1 . 1 . 1 1 26 26 LEU H H . . a . 27 . HN rr_1a93 3
37 1 . 2 . 1 1 26 26 LEU HB3 H . . a . 27 . HB1 rr_1a93 3
38 1 . 1 . 1 1 26 26 LEU H H . . a . 27 . HN rr_1a93 3
38 1 . 2 . 1 1 26 26 LEU HB2 H . . a . 27 . HB2 rr_1a93 3
39 1 . 1 . 1 1 26 26 LEU H H . . a . 27 . HN rr_1a93 3
39 1 . 2 . 1 1 26 26 LEU HA H . . a . 27 . HA rr_1a93 3
40 1 . 1 . 1 1 26 26 LEU H H . . a . 27 . HN rr_1a93 3
40 1 . 2 . 1 1 26 26 LEU HG H . . a . 27 . HG2* rr_1a93 3
41 1 . 1 . 1 1 28 28 HIS HA H . . a . 29 . HA rr_1a93 3
41 1 . 2 . 1 1 28 28 HIS H H . . a . 29 . HN rr_1a93 3
42 2 . 1 . 1 1 28 28 HIS H H . . a . 29 . HN rr_1a93 3
42 2 . 2 . 1 1 28 28 HIS HB3 H . . a . 29 . HB* rr_1a93 3
42 3 . 1 . 1 1 28 28 HIS H H . . a . 29 . HN rr_1a93 3
42 3 . 2 . 1 1 28 28 HIS HB2 H . . a . 29 . HB* rr_1a93 3
43 1 . 1 . 1 1 28 28 HIS HD2 H . . a . 29 . HD2 rr_1a93 3
43 1 . 2 . 1 1 28 28 HIS HB3 H . . a . 29 . HB1 rr_1a93 3
44 1 . 1 . 1 1 28 28 HIS HD2 H . . a . 29 . HD2 rr_1a93 3
44 1 . 2 . 1 1 28 28 HIS HB2 H . . a . 29 . HB2 rr_1a93 3
45 1 . 1 . 1 1 30 30 LEU H H . . a . 31 . HN rr_1a93 3
45 1 . 2 . 1 1 30 30 LEU HA H . . a . 31 . HA rr_1a93 3
46 1 . 1 . 1 1 30 30 LEU H H . . a . 31 . HN rr_1a93 3
46 1 . 2 . 1 1 30 30 LEU HB2 H . . a . 31 . HB2 rr_1a93 3
47 1 . 1 . 1 1 30 30 LEU H H . . a . 31 . HN rr_1a93 3
47 1 . 2 . 1 1 30 30 LEU HB3 H . . a . 31 . HB1 rr_1a93 3
48 1 . 1 . 1 1 31 31 GLU H H . . a . 32 . HN rr_1a93 3
48 1 . 2 . 1 1 31 31 GLU HA H . . a . 32 . HA rr_1a93 3
49 1 . 1 . 1 1 32 32 GLN H H . . a . 33 . HN rr_1a93 3
49 1 . 2 . 1 1 32 32 GLN HA H . . a . 33 . HA rr_1a93 3
50 2 . 1 . 1 1 32 32 GLN H H . . a . 33 . HN rr_1a93 3
50 2 . 2 . 1 1 32 32 GLN HB2 H . . a . 33 . HB* rr_1a93 3
50 3 . 1 . 1 1 32 32 GLN H H . . a . 33 . HN rr_1a93 3
50 3 . 2 . 1 1 32 32 GLN HB3 H . . a . 33 . HB* rr_1a93 3
51 1 . 1 . 1 1 33 33 LEU H H . . a . 34 . HN rr_1a93 3
51 1 . 2 . 1 1 33 33 LEU HA H . . a . 34 . HA rr_1a93 3
52 1 . 1 . 2 2 9 9 ASN H H . . b . 10 . HN rr_1a93 3
52 1 . 2 . 2 2 9 9 ASN HA H . . b . 10 . HA rr_1a93 3
53 1 . 1 . 2 2 9 9 ASN H H . . b . 10 . HN rr_1a93 3
53 1 . 2 . 2 2 9 9 ASN HB3 H . . b . 10 . HB1 rr_1a93 3
54 1 . 1 . 2 2 9 9 ASN H H . . b . 10 . HN rr_1a93 3
54 1 . 2 . 2 2 9 9 ASN HB2 H . . b . 10 . HB2 rr_1a93 3
55 1 . 1 . 2 2 9 9 ASN HA H . . b . 10 . HA rr_1a93 3
55 1 . 2 . 2 2 9 9 ASN HB3 H . . b . 10 . HB1 rr_1a93 3
56 1 . 1 . 2 2 9 9 ASN HA H . . b . 10 . HA rr_1a93 3
56 1 . 2 . 2 2 9 9 ASN HB2 H . . b . 10 . HB2 rr_1a93 3
57 1 . 1 . 2 2 9 9 ASN HD21 H . . b . 10 . HD21 rr_1a93 3
57 1 . 2 . 2 2 9 9 ASN HB3 H . . b . 10 . HB1 rr_1a93 3
58 1 . 1 . 2 2 9 9 ASN HD21 H . . b . 10 . HD21 rr_1a93 3
58 1 . 2 . 2 2 9 9 ASN HB2 H . . b . 10 . HB2 rr_1a93 3
59 1 . 1 . 2 2 9 9 ASN HD22 H . . b . 10 . HD22 rr_1a93 3
59 1 . 2 . 2 2 9 9 ASN HB3 H . . b . 10 . HB1 rr_1a93 3
60 1 . 1 . 2 2 9 9 ASN HD22 H . . b . 10 . HD22 rr_1a93 3
60 1 . 2 . 2 2 9 9 ASN HB2 H . . b . 10 . HB2 rr_1a93 3
61 1 . 1 . 2 2 10 10 ASP H H . . b . 11 . HN rr_1a93 3
61 1 . 2 . 2 2 10 10 ASP HA H . . b . 11 . HA rr_1a93 3
62 1 . 1 . 2 2 11 11 THR H H . . b . 12 . HN rr_1a93 3
62 1 . 2 . 2 2 11 11 THR HB H . . b . 12 . HB rr_1a93 3
63 1 . 1 . 2 2 11 11 THR H H . . b . 12 . HN rr_1a93 3
63 1 . 2 . 2 2 11 11 THR MG H . . b . 12 . HG* rr_1a93 3
64 1 . 1 . 2 2 11 11 THR HA H . . b . 12 . HA rr_1a93 3
64 1 . 2 . 2 2 11 11 THR MG H . . b . 12 . HG* rr_1a93 3
65 1 . 1 . 2 2 12 12 HIS H H . . b . 13 . HN rr_1a93 3
65 1 . 2 . 2 2 12 12 HIS HA H . . b . 13 . HA rr_1a93 3
66 1 . 1 . 2 2 12 12 HIS H H . . b . 13 . HN rr_1a93 3
66 1 . 2 . 2 2 12 12 HIS HB3 H . . b . 13 . HB1 rr_1a93 3
67 1 . 1 . 2 2 12 12 HIS H H . . b . 13 . HN rr_1a93 3
67 1 . 2 . 2 2 12 12 HIS HB2 H . . b . 13 . HB2 rr_1a93 3
68 1 . 1 . 2 2 12 12 HIS HA H . . b . 13 . HA rr_1a93 3
68 1 . 2 . 2 2 12 12 HIS HB3 H . . b . 13 . HB1 rr_1a93 3
69 1 . 1 . 2 2 12 12 HIS HA H . . b . 13 . HA rr_1a93 3
69 1 . 2 . 2 2 12 12 HIS HB2 H . . b . 13 . HB2 rr_1a93 3
70 1 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 3
70 1 . 2 . 2 2 12 12 HIS HB3 H . . b . 13 . HB1 rr_1a93 3
71 1 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 3
71 1 . 2 . 2 2 12 12 HIS HB2 H . . b . 13 . HB2 rr_1a93 3
72 2 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 3
72 2 . 2 . 2 2 12 12 HIS HB3 H . . b . 13 . HB* rr_1a93 3
72 3 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 3
72 3 . 2 . 2 2 12 12 HIS HB2 H . . b . 13 . HB* rr_1a93 3
73 1 . 1 . 2 2 13 13 GLN H H . . b . 14 . HN rr_1a93 3
73 1 . 2 . 2 2 13 13 GLN HA H . . b . 14 . HA rr_1a93 3
74 1 . 1 . 2 2 14 14 GLN H H . . b . 15 . HN rr_1a93 3
74 1 . 2 . 2 2 14 14 GLN HA H . . b . 15 . HA rr_1a93 3
75 1 . 1 . 2 2 15 15 ASP H H . . b . 16 . HN rr_1a93 3
75 1 . 2 . 2 2 15 15 ASP HA H . . b . 16 . HA rr_1a93 3
76 1 . 1 . 2 2 15 15 ASP H H . . b . 16 . HN rr_1a93 3
76 1 . 2 . 2 2 15 15 ASP HB3 H . . b . 16 . HB1 rr_1a93 3
77 1 . 1 . 2 2 15 15 ASP H H . . b . 16 . HN rr_1a93 3
77 1 . 2 . 2 2 15 15 ASP HB2 H . . b . 16 . HB2 rr_1a93 3
78 1 . 1 . 2 2 16 16 ILE H H . . b . 17 . HN rr_1a93 3
78 1 . 2 . 2 2 16 16 ILE HA H . . b . 17 . HA rr_1a93 3
79 1 . 1 . 2 2 17 17 ASP H H . . b . 18 . HN rr_1a93 3
79 1 . 2 . 2 2 17 17 ASP HA H . . b . 18 . HA rr_1a93 3
80 1 . 1 . 2 2 17 17 ASP H H . . b . 18 . HN rr_1a93 3
80 1 . 2 . 2 2 17 17 ASP HB3 H . . b . 18 . HB1 rr_1a93 3
81 1 . 1 . 2 2 17 17 ASP H H . . b . 18 . HN rr_1a93 3
81 1 . 2 . 2 2 17 17 ASP HB2 H . . b . 18 . HB2 rr_1a93 3
82 1 . 1 . 2 2 17 17 ASP HA H . . b . 18 . HA rr_1a93 3
82 1 . 2 . 2 2 17 17 ASP HB3 H . . b . 18 . HB1 rr_1a93 3
83 1 . 1 . 2 2 17 17 ASP HA H . . b . 18 . HA rr_1a93 3
83 1 . 2 . 2 2 17 17 ASP HB2 H . . b . 18 . HB2 rr_1a93 3
84 1 . 1 . 2 2 18 18 ASP H H . . b . 19 . HN rr_1a93 3
84 1 . 2 . 2 2 18 18 ASP HA H . . b . 19 . HA rr_1a93 3
85 1 . 1 . 2 2 18 18 ASP HB2 H . . b . 19 . HB2 rr_1a93 3
85 1 . 2 . 2 2 18 18 ASP H H . . b . 19 . HN rr_1a93 3
86 1 . 1 . 2 2 19 19 LEU H H . . b . 20 . HN rr_1a93 3
86 1 . 2 . 2 2 19 19 LEU HA H . . b . 20 . HA rr_1a93 3
87 1 . 1 . 2 2 19 19 LEU H H . . b . 20 . HN rr_1a93 3
87 1 . 2 . 2 2 19 19 LEU HB3 H . . b . 20 . HB1 rr_1a93 3
88 1 . 1 . 2 2 19 19 LEU H H . . b . 20 . HN rr_1a93 3
88 1 . 2 . 2 2 19 19 LEU HB2 H . . b . 20 . HB2 rr_1a93 3
89 1 . 1 . 2 2 19 19 LEU HA H . . b . 20 . HA rr_1a93 3
89 1 . 2 . 2 2 19 19 LEU HB3 H . . b . 20 . HB1 rr_1a93 3
90 1 . 1 . 2 2 19 19 LEU H H . . b . 20 . HN rr_1a93 3
90 1 . 2 . 2 2 19 19 LEU HG H . . b . 20 . HG rr_1a93 3
91 1 . 1 . 2 2 19 19 LEU HA H . . b . 20 . HA rr_1a93 3
91 1 . 2 . 2 2 19 19 LEU MD2 H . . b . 20 . HD2* rr_1a93 3
92 1 . 1 . 2 2 20 20 LYS H H . . b . 21 . HN rr_1a93 3
92 1 . 2 . 2 2 20 20 LYS HA H . . b . 21 . HA rr_1a93 3
93 2 . 1 . 2 2 20 20 LYS HB2 H . . b . 21 . HB* rr_1a93 3
93 2 . 2 . 2 2 20 20 LYS H H . . b . 21 . HN rr_1a93 3
93 3 . 1 . 2 2 20 20 LYS HB3 H . . b . 21 . HB* rr_1a93 3
93 3 . 2 . 2 2 20 20 LYS H H . . b . 21 . HN rr_1a93 3
94 2 . 1 . 2 2 20 20 LYS HE2 H . . b . 21 . HE* rr_1a93 3
94 2 . 2 . 2 2 20 20 LYS HB3 H . . b . 21 . HB* rr_1a93 3
94 3 . 1 . 2 2 20 20 LYS HE3 H . . b . 21 . HE* rr_1a93 3
94 3 . 2 . 2 2 20 20 LYS HB2 H . . b . 21 . HB* rr_1a93 3
94 4 . 1 . 2 2 20 20 LYS HE3 H . . b . 21 . HE* rr_1a93 3
94 4 . 2 . 2 2 20 20 LYS HB3 H . . b . 21 . HB* rr_1a93 3
94 5 . 1 . 2 2 20 20 LYS HE2 H . . b . 21 . HE* rr_1a93 3
94 5 . 2 . 2 2 20 20 LYS HB2 H . . b . 21 . HB* rr_1a93 3
95 2 . 1 . 2 2 20 20 LYS HE2 H . . b . 21 . HE* rr_1a93 3
95 2 . 2 . 2 2 20 20 LYS HD2 H . . b . 21 . HD* rr_1a93 3
95 3 . 1 . 2 2 20 20 LYS HE2 H . . b . 21 . HE* rr_1a93 3
95 3 . 2 . 2 2 20 20 LYS HD3 H . . b . 21 . HD* rr_1a93 3
95 4 . 1 . 2 2 20 20 LYS HE3 H . . b . 21 . HE* rr_1a93 3
95 4 . 2 . 2 2 20 20 LYS HD2 H . . b . 21 . HD* rr_1a93 3
95 5 . 1 . 2 2 20 20 LYS HE3 H . . b . 21 . HE* rr_1a93 3
95 5 . 2 . 2 2 20 20 LYS HD3 H . . b . 21 . HD* rr_1a93 3
96 1 . 1 . 2 2 21 21 ARG H H . . b . 22 . HN rr_1a93 3
96 1 . 2 . 2 2 21 21 ARG HA H . . b . 22 . HA rr_1a93 3
97 1 . 1 . 2 2 21 21 ARG H H . . b . 22 . HN rr_1a93 3
97 1 . 2 . 2 2 21 21 ARG HB3 H . . b . 22 . HB1 rr_1a93 3
98 1 . 1 . 2 2 21 21 ARG H H . . b . 22 . HN rr_1a93 3
98 1 . 2 . 2 2 21 21 ARG HB2 H . . b . 22 . HB2 rr_1a93 3
99 1 . 1 . 2 2 21 21 ARG HA H . . b . 22 . HA rr_1a93 3
99 1 . 2 . 2 2 21 21 ARG HB2 H . . b . 22 . HB2 rr_1a93 3
100 1 . 1 . 2 2 22 22 GLN H H . . b . 23 . HN rr_1a93 3
100 1 . 2 . 2 2 22 22 GLN HA H . . b . 23 . HA rr_1a93 3
101 2 . 1 . 2 2 22 22 GLN H H . . b . 23 . HN rr_1a93 3
101 2 . 2 . 2 2 22 22 GLN HB2 H . . b . 23 . HB* rr_1a93 3
101 3 . 1 . 2 2 22 22 GLN H H . . b . 23 . HN rr_1a93 3
101 3 . 2 . 2 2 22 22 GLN HB3 H . . b . 23 . HB* rr_1a93 3
102 2 . 1 . 2 2 22 22 GLN H H . . b . 23 . HN rr_1a93 3
102 2 . 2 . 2 2 22 22 GLN HG2 H . . b . 23 . HG* rr_1a93 3
102 3 . 1 . 2 2 22 22 GLN H H . . b . 23 . HN rr_1a93 3
102 3 . 2 . 2 2 22 22 GLN HG3 H . . b . 23 . HG* rr_1a93 3
103 1 . 1 . 2 2 23 23 ASN H H . . b . 24 . HN rr_1a93 3
103 1 . 2 . 2 2 23 23 ASN HA H . . b . 24 . HA rr_1a93 3
104 1 . 1 . 2 2 23 23 ASN H H . . b . 24 . HN rr_1a93 3
104 1 . 2 . 2 2 23 23 ASN HB3 H . . b . 24 . HB1 rr_1a93 3
105 1 . 1 . 2 2 23 23 ASN H H . . b . 24 . HN rr_1a93 3
105 1 . 2 . 2 2 23 23 ASN HB2 H . . b . 24 . HB2 rr_1a93 3
106 1 . 1 . 2 2 23 23 ASN HA H . . b . 24 . HA rr_1a93 3
106 1 . 2 . 2 2 23 23 ASN HB3 H . . b . 24 . HB1 rr_1a93 3
107 1 . 1 . 2 2 23 23 ASN HD22 H . . b . 24 . HD22 rr_1a93 3
107 1 . 2 . 2 2 23 23 ASN HB3 H . . b . 24 . HB1 rr_1a93 3
108 1 . 1 . 2 2 23 23 ASN HD22 H . . b . 24 . HD22 rr_1a93 3
108 1 . 2 . 2 2 23 23 ASN HB3 H . . b . 24 . HB1 rr_1a93 3
109 1 . 1 . 2 2 23 23 ASN HD21 H . . b . 24 . HD21 rr_1a93 3
109 1 . 2 . 2 2 23 23 ASN HB3 H . . b . 24 . HB1 rr_1a93 3
110 1 . 1 . 2 2 23 23 ASN HD21 H . . b . 24 . HD21 rr_1a93 3
110 1 . 2 . 2 2 23 23 ASN HB2 H . . b . 24 . HB2 rr_1a93 3
111 1 . 1 . 2 2 23 23 ASN HD22 H . . b . 24 . HD22 rr_1a93 3
111 1 . 2 . 2 2 23 23 ASN HA H . . b . 24 . HA rr_1a93 3
112 1 . 1 . 2 2 23 23 ASN HD21 H . . b . 24 . HD21 rr_1a93 3
112 1 . 2 . 2 2 23 23 ASN H H . . b . 24 . HN rr_1a93 3
113 1 . 1 . 2 2 24 24 ALA H H . . b . 25 . HN rr_1a93 3
113 1 . 2 . 2 2 24 24 ALA HA H . . b . 25 . HA rr_1a93 3
114 1 . 1 . 2 2 24 24 ALA H H . . b . 25 . HN rr_1a93 3
114 1 . 2 . 2 2 24 24 ALA MB H . . b . 25 . HB* rr_1a93 3
115 1 . 1 . 2 2 25 25 LEU H H . . b . 26 . HN rr_1a93 3
115 1 . 2 . 2 2 25 25 LEU HA H . . b . 26 . HA rr_1a93 3
116 1 . 1 . 2 2 26 26 LEU H H . . b . 27 . HN rr_1a93 3
116 1 . 2 . 2 2 26 26 LEU HB3 H . . b . 27 . HB1 rr_1a93 3
117 1 . 1 . 2 2 26 26 LEU H H . . b . 27 . HN rr_1a93 3
117 1 . 2 . 2 2 26 26 LEU HB2 H . . b . 27 . HB2 rr_1a93 3
118 1 . 1 . 2 2 26 26 LEU HA H . . b . 27 . HA rr_1a93 3
118 1 . 2 . 2 2 26 26 LEU HB3 H . . b . 27 . HB1 rr_1a93 3
119 1 . 1 . 2 2 26 26 LEU H H . . b . 27 . HN rr_1a93 3
119 1 . 2 . 2 2 26 26 LEU HG H . . b . 27 . HG rr_1a93 3
120 1 . 1 . 2 2 26 26 LEU H H . . b . 27 . HN rr_1a93 3
120 1 . 2 . 2 2 26 26 LEU HA H . . b . 27 . HA rr_1a93 3
121 1 . 1 . 2 2 27 27 GLU H H . . b . 28 . HN rr_1a93 3
121 1 . 2 . 2 2 27 27 GLU HA H . . b . 28 . HA rr_1a93 3
122 1 . 1 . 2 2 27 27 GLU H H . . b . 28 . HN rr_1a93 3
122 1 . 2 . 2 2 27 27 GLU HB3 H . . b . 28 . HB1 rr_1a93 3
123 1 . 1 . 2 2 27 27 GLU H H . . b . 28 . HN rr_1a93 3
123 1 . 2 . 2 2 27 27 GLU HB2 H . . b . 28 . HB2 rr_1a93 3
124 1 . 1 . 2 2 27 27 GLU H H . . b . 28 . HN rr_1a93 3
124 1 . 2 . 2 2 27 27 GLU HB3 H . . b . 28 . HB1 rr_1a93 3
125 1 . 1 . 2 2 27 27 GLU H H . . b . 28 . HN rr_1a93 3
125 1 . 2 . 2 2 27 27 GLU HB2 H . . b . 28 . HB2 rr_1a93 3
126 1 . 1 . 2 2 28 28 GLN H H . . b . 29 . HN rr_1a93 3
126 1 . 2 . 2 2 28 28 GLN HA H . . b . 29 . HA rr_1a93 3
127 2 . 1 . 2 2 28 28 GLN H H . . b . 29 . HN rr_1a93 3
127 2 . 2 . 2 2 28 28 GLN HB2 H . . b . 29 . HB* rr_1a93 3
127 3 . 1 . 2 2 28 28 GLN H H . . b . 29 . HN rr_1a93 3
127 3 . 2 . 2 2 28 28 GLN HB3 H . . b . 29 . HB* rr_1a93 3
128 1 . 1 . 2 2 29 29 GLN H H . . b . 30 . HN rr_1a93 3
128 1 . 2 . 2 2 29 29 GLN HA H . . b . 30 . HA rr_1a93 3
129 1 . 1 . 2 2 30 30 VAL H H . . b . 31 . HN rr_1a93 3
129 1 . 2 . 2 2 30 30 VAL HA H . . b . 31 . HA rr_1a93 3
130 1 . 1 . 2 2 30 30 VAL H H . . b . 31 . HN rr_1a93 3
130 1 . 2 . 2 2 30 30 VAL HB H . . b . 31 . HB rr_1a93 3
131 1 . 1 . 2 2 30 30 VAL H H . . b . 31 . HN rr_1a93 3
131 1 . 2 . 2 2 30 30 VAL MG2 H . . b . 31 . HG2* rr_1a93 3
132 1 . 1 . 2 2 30 30 VAL H H . . b . 31 . HN rr_1a93 3
132 1 . 2 . 2 2 30 30 VAL MG1 H . . b . 31 . HG1* rr_1a93 3
133 1 . 1 . 2 2 30 30 VAL HA H . . b . 31 . HA rr_1a93 3
133 1 . 2 . 2 2 30 30 VAL MG2 H . . b . 31 . HG2* rr_1a93 3
134 1 . 1 . 2 2 30 30 VAL HA H . . b . 31 . HA rr_1a93 3
134 1 . 2 . 2 2 30 30 VAL MG1 H . . b . 31 . HG1* rr_1a93 3
135 1 . 1 . 2 2 31 31 ARG H H . . b . 32 . HN rr_1a93 3
135 1 . 2 . 2 2 31 31 ARG HA H . . b . 32 . HA rr_1a93 3
136 1 . 1 . 2 2 32 32 ALA H H . . b . 33 . HN rr_1a93 3
136 1 . 2 . 2 2 32 32 ALA HA H . . b . 33 . HA rr_1a93 3
137 1 . 1 . 2 2 32 32 ALA H H . . b . 33 . HN rr_1a93 3
137 1 . 2 . 2 2 32 32 ALA MB H . . b . 33 . HB* rr_1a93 3
138 1 . 1 . 2 2 33 33 LEU H H . . b . 34 . HN rr_1a93 3
138 1 . 2 . 2 2 33 33 LEU HA H . . b . 34 . HA rr_1a93 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 . . . . . . 2.5 1.8 3.0 rr_1a93 3
2 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
3 1 . . . . . . 3.5 1.8 4.5 rr_1a93 3
4 1 . . . . . . 3.5 1.8 4.5 rr_1a93 3
5 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
6 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
7 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
8 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
9 1 . . . . . . 3.5 3.0 4.0 rr_1a93 3
10 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
11 1 . . . . . . 2.5 1.8 3.5 rr_1a93 3
12 1 . . . . . . 4.0 1.8 5.0 rr_1a93 3
13 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
14 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
15 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
16 1 . . . . . . 4.5 1.8 5.5 rr_1a93 3
17 1 . . . . . . 3.0 1.8 4.0 rr_1a93 3
18 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
19 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
20 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
21 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
22 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
23 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
24 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
25 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
26 2 . . . . . . 3.0 1.8 4.5 rr_1a93 3
26 3 . . . . . . 3.0 1.8 4.5 rr_1a93 3
27 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
28 2 . . . . . . 3.0 1.8 4.5 rr_1a93 3
28 3 . . . . . . 3.0 1.8 4.5 rr_1a93 3
29 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
30 2 . . . . . . 3.0 1.8 4.5 rr_1a93 3
30 3 . . . . . . 3.0 1.8 4.5 rr_1a93 3
31 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
32 2 . . . . . . 3.0 1.8 4.5 rr_1a93 3
32 3 . . . . . . 3.0 1.8 4.5 rr_1a93 3
33 2 . . . . . . 3.5 1.8 5.0 rr_1a93 3
33 3 . . . . . . 3.5 1.8 5.0 rr_1a93 3
34 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
35 2 . . . . . . 3.0 1.8 4.5 rr_1a93 3
35 3 . . . . . . 3.0 1.8 4.5 rr_1a93 3
36 2 . . . . . . 4.0 1.8 5.5 rr_1a93 3
36 3 . . . . . . 4.0 1.8 5.5 rr_1a93 3
37 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
38 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
39 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
40 1 . . . . . . 3.0 2.3 4.5 rr_1a93 3
41 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
42 2 . . . . . . 2.5 1.8 4.0 rr_1a93 3
42 3 . . . . . . 2.5 1.8 4.0 rr_1a93 3
43 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
44 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
45 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
46 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
47 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
48 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
49 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
50 2 . . . . . . 3.0 1.8 4.5 rr_1a93 3
50 3 . . . . . . 3.0 1.8 4.5 rr_1a93 3
51 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
52 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
53 1 . . . . . . 3.5 3.0 4.0 rr_1a93 3
54 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
55 1 . . . . . . 4.0 1.8 4.5 rr_1a93 3
56 1 . . . . . . 2.8 1.8 3.3 rr_1a93 3
57 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
58 1 . . . . . . 4.0 1.8 4.5 rr_1a93 3
59 1 . . . . . . 5.5 1.8 6.0 rr_1a93 3
60 1 . . . . . . 5.5 1.8 6.0 rr_1a93 3
61 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
62 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
63 1 . . . . . . 3.5 2.3 4.5 rr_1a93 3
64 1 . . . . . . 3.5 2.3 4.5 rr_1a93 3
65 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
66 1 . . . . . . 3.5 3.0 4.0 rr_1a93 3
67 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
68 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
69 1 . . . . . . 4.0 1.8 4.5 rr_1a93 3
70 1 . . . . . . 4.0 1.8 4.5 rr_1a93 3
71 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
72 2 . . . . . . 3.0 1.8 4.0 rr_1a93 3
72 3 . . . . . . 3.0 1.8 4.0 rr_1a93 3
73 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
74 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
75 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
76 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
77 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
78 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
79 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
80 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
81 1 . . . . . . 4.0 1.8 4.5 rr_1a93 3
82 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
83 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
84 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
85 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
86 1 . . . . . . 3.5 1.8 4.5 rr_1a93 3
87 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
88 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
89 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
90 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
91 1 . . . . . . 3.0 1.8 4.0 rr_1a93 3
92 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
93 2 . . . . . . 3.0 1.8 4.5 rr_1a93 3
93 3 . . . . . . 3.0 1.8 4.5 rr_1a93 3
94 2 . . . . . . 3.5 1.8 5.0 rr_1a93 3
94 3 . . . . . . 3.5 1.8 5.0 rr_1a93 3
94 4 . . . . . . 3.5 1.8 5.0 rr_1a93 3
94 5 . . . . . . 3.5 1.8 5.0 rr_1a93 3
95 2 . . . . . . 3.5 1.8 5.0 rr_1a93 3
95 3 . . . . . . 3.5 1.8 5.0 rr_1a93 3
95 4 . . . . . . 3.5 1.8 5.0 rr_1a93 3
95 5 . . . . . . 3.5 1.8 5.0 rr_1a93 3
96 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
97 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
98 1 . . . . . . 3.5 2.3 4.0 rr_1a93 3
99 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
100 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
101 2 . . . . . . 3.0 1.8 4.0 rr_1a93 3
101 3 . . . . . . 3.0 1.8 4.0 rr_1a93 3
102 2 . . . . . . 3.5 2.3 4.5 rr_1a93 3
102 3 . . . . . . 3.5 2.3 4.5 rr_1a93 3
103 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
104 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
105 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
106 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
107 1 . . . . . . 4.0 1.8 4.5 rr_1a93 3
108 1 . . . . . . 4.0 1.8 4.5 rr_1a93 3
109 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
110 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
111 1 . . . . . . 4.0 1.8 4.5 rr_1a93 3
112 1 . . . . . . 4.0 1.8 4.5 rr_1a93 3
113 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
114 1 . . . . . . 3.0 2.3 4.0 rr_1a93 3
115 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
116 1 . . . . . . 3.5 3.0 4.0 rr_1a93 3
117 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
118 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
119 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
120 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
121 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
122 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
123 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
124 1 . . . . . . 3.5 1.8 4.0 rr_1a93 3
125 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
126 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
127 2 . . . . . . 3.0 1.8 4.0 rr_1a93 3
127 3 . . . . . . 3.0 1.8 4.0 rr_1a93 3
128 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
129 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
130 1 . . . . . . 2.5 1.8 3.0 rr_1a93 3
131 1 . . . . . . 3.0 1.8 4.0 rr_1a93 3
132 1 . . . . . . 4.5 2.8 5.5 rr_1a93 3
133 1 . . . . . . 2.8 1.8 3.8 rr_1a93 3
134 1 . . . . . . 2.8 1.8 3.8 rr_1a93 3
135 1 . . . . . . 3.0 1.8 3.5 rr_1a93 3
136 1 . . . . . . 2.8 1.8 3.3 rr_1a93 3
137 1 . . . . . . 3.0 1.8 4.0 rr_1a93 3
138 1 . . . . . . 3.0 1.8 4.0 rr_1a93 3
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
;a.3.1 Intraresidue: intramonomer a
Val-6
;
1 1 3 8 rr_1a93 3
2 "Gln-7 No Chi-1 set for this residue. I cannot see this on exp9, h2o NOESY." 10 1 10 77 rr_1a93 3
3 "Ala-8 Chi-1 N/A" 13 1 13 18 rr_1a93 3
4
;Glu-9 No Chi-1 set for this residue.
Glu-10 No Chi-1 set for this residue.
Can see potential HN/HA, but no HN/HB signals
;
16 1 19 48 rr_1a93 3
5
;Gln-11 No Chi-1 set for this residue. HA shift may be wrong.
Lys-12 No Chi-1 set for this residue. Bad region. Hard to assign anything here with any certainty.
Leu-13 Chi-1 set to -60
;
22 1 26 25 rr_1a93 3
6 "Ile-14 Chi-1 set to -60" 32 1 32 25 rr_1a93 3
7 Ser-15 39 1 39 8 rr_1a93 3
8
;Glu-16
Glu-17
Asp-18 No Chi-1 set for this residue. HN/HB NOES and HA/HB NOES both strong. Good sign of disordered.
;
42 1 44 103 rr_1a93 3
9 "Leu-19 No Chi-1 set for this residue. Cannot see HN-HB NOES at 150ms. Ovlp." 47 1 47 77 rr_1a93 3
10 "Leu-20 Chi-1 set to -60" 50 1 50 25 rr_1a93 3
11 "Arg-21 No Chi-1 set for this resdiue." 56 1 56 39 rr_1a93 3
12
;Lys-22
Arg-23
;
60 1 61 8 rr_1a93 3
13 "Arg-24 No Chi-1 set." 65 1 65 22 rr_1a93 3
14 "Glu-25 No Chi-1 set." 69 1 69 22 rr_1a93 3
15 "Gln-26 No Chi-1 set." 74 1 74 22 rr_1a93 3
16 "Leu-27 Chi-1 set to -60." 80 1 80 26 rr_1a93 3
17
;Lys-28 Not assigned.
His-29 Strong HN-HB* and HA-HB*. May be disordered. Bh's degenerate, adds to problem!!
;
86 1 88 88 rr_1a93 3
18
;Lys-30
Leu-31 Looks fixed. May be -60. Setting as if -60.
;
94 1 96 52 rr_1a93 3
19 Glu-32 101 1 101 8 rr_1a93 3
20 Gln-33 104 1 104 8 rr_1a93 3
21
;Leu-34
assign ( resid 34 and name HN and segid "a" )( resid 34 and name HB1 and segid "a" ) 3.5 1.7 1.0
assign ( resid 34 and name HN and segid "a" )( resid 34 and name HB2 and segid "a" ) 3.5 1.7 1.0
;
108 1 110 98 rr_1a93 3
22
;a.3.2. Intraresidue: intramonomer b
Asn-10 Chi-1 set to -60 for this residue
;
115 1 117 42 rr_1a93 3
23
;Asp-11 No Chi-1 set for this residue.
HN,HA to HB NOEs look of similar intensity, cannot pin a conformation.
;
129 1 130 72 rr_1a93 3
24 "Thr-12 No Chi-1 set for this residue." 133 1 133 39 rr_1a93 3
25
;assign ( resid 12 and name HA and segid "b" )( resid 12 and name HB and segid "b" ) 3.0 1.2 0.5
His-13 Chi-1 set to -60 for this residue.
;
138 1 140 43 rr_1a93 3
26 "Gln-14 No Chi-1 set for this residue." 151 1 151 40 rr_1a93 3
27 "Gln-15 No Chi-1 set for this residue. Missing bH assignments" 154 1 154 63 rr_1a93 3
28 "Asp-16 Chi-1 set to 180 for this residue. HA-HB NOES poorly resolved?" 157 1 157 73 rr_1a93 3
29 "Ile-17 Chi-1 set to -60 for this residue. I cannot see an NOE pattern to confirm this." 162 1 162 89 rr_1a93 3
30 "Asp-18 No Chi-1 set for this residue. I am setting to -60" 165 1 165 60 rr_1a93 3
31 "Asp-19 Chi-1 set to 180 for this residue." 172 1 172 44 rr_1a93 3
32 "Leu-20 Chi-1 set to -60 for this residue." 176 1 176 44 rr_1a93 3
33 "Lys-21 No Chi-1 set for this residue." 184 1 184 40 rr_1a93 3
34 "Arg-22 No Chi-1 set for this residue. Maybe Chi-1 -60?" 190 1 190 57 rr_1a93 3
35 "Gln-23 No Chi-1 set for this residue." 196 1 196 40 rr_1a93 3
36 "Asn-24 Chi-1 set to -60 for this residue" 201 1 201 43 rr_1a93 3
37 "Ala-25 Chi-1 N/A" 213 1 213 19 rr_1a93 3
38 "Leu-26 No Chi-1 set for this residue. HBs same as xLeu29. Is this correct??" 217 1 217 78 rr_1a93 3
39 Leu-27 220 1 220 9 rr_1a93 3
40 "Glu-28 No Chi-1 set for this residue. However it appears fixed. 180 in model." 227 1 227 81 rr_1a93 3
41 "Gln-29 No Chi-1 set for this residue." 234 1 234 40 rr_1a93 3
42 "Gln-30 No Chi-1 set for this residue." 238 1 238 40 rr_1a93 3
43 "Val-31 No Chi-1 set for this residue. Maybe fixed to -60. -60 in model." 241 1 241 74 rr_1a93 3
44 "Arg-32 No Chi-1 set for this residue." 249 1 249 40 rr_1a93 3
45 Ala-33 252 1 252 9 rr_1a93 3
46
;Leu-34
assign ( resid 34 and name HN and segid "b" )( resid 34 and name HB1 and segid "b" ) 3.5 1.7 1.0
assign ( resid 34 and name HN and segid "b" )( resid 34 and name HB2 and segid "b" ) 3.5 1.7 1.0
;
256 1 258 98 rr_1a93 3
stop_
save_
save_CNS/XPLOR_distance_constraints_8_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_8_1
_Distance_constraint_list.Entry_ID rr_1a93
_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 8
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_1a93 4
stop_
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 2 . OR rr_1a93 4
1 2 . 3 . rr_1a93 4
1 3 . . . rr_1a93 4
2 1 . . . rr_1a93 4
3 1 . . . rr_1a93 4
4 1 . . . rr_1a93 4
5 1 . . . rr_1a93 4
6 1 2 . OR rr_1a93 4
6 2 . 3 . rr_1a93 4
6 3 . . . rr_1a93 4
7 1 . . . rr_1a93 4
8 1 2 . OR rr_1a93 4
8 2 . 3 . rr_1a93 4
8 3 . . . rr_1a93 4
9 1 2 . OR rr_1a93 4
9 2 . 3 . rr_1a93 4
9 3 . . . rr_1a93 4
10 1 2 . OR rr_1a93 4
10 2 . 3 . rr_1a93 4
10 3 . . . rr_1a93 4
11 1 2 . OR rr_1a93 4
11 2 . 3 . rr_1a93 4
11 3 . . . rr_1a93 4
12 1 . . . rr_1a93 4
13 1 . . . rr_1a93 4
14 1 . . . rr_1a93 4
15 1 . . . rr_1a93 4
16 1 2 . OR rr_1a93 4
16 2 . 3 . rr_1a93 4
16 3 . . . rr_1a93 4
17 1 . . . rr_1a93 4
18 1 . . . rr_1a93 4
19 1 . . . rr_1a93 4
20 1 . . . rr_1a93 4
21 1 . . . rr_1a93 4
22 1 . . . rr_1a93 4
23 1 . . . rr_1a93 4
24 1 . . . rr_1a93 4
25 1 . . . rr_1a93 4
26 1 . . . rr_1a93 4
27 1 . . . rr_1a93 4
28 1 . . . rr_1a93 4
29 1 2 . OR rr_1a93 4
29 2 . 3 . rr_1a93 4
29 3 . . . rr_1a93 4
30 1 . . . rr_1a93 4
31 1 . . . rr_1a93 4
32 1 . . . rr_1a93 4
33 1 . . . rr_1a93 4
34 1 . . . rr_1a93 4
35 1 2 . OR rr_1a93 4
35 2 . 3 . rr_1a93 4
35 3 . . . rr_1a93 4
36 1 . . . rr_1a93 4
37 1 . . . rr_1a93 4
38 1 . . . rr_1a93 4
39 1 . . . rr_1a93 4
40 1 2 . OR rr_1a93 4
40 2 . 3 . rr_1a93 4
40 3 . . . rr_1a93 4
41 1 2 . OR rr_1a93 4
41 2 . 3 . rr_1a93 4
41 3 . . . rr_1a93 4
42 1 . . . rr_1a93 4
43 1 . . . rr_1a93 4
44 1 . . . rr_1a93 4
45 1 . . . rr_1a93 4
46 1 . . . rr_1a93 4
47 1 . . . rr_1a93 4
48 1 2 . OR rr_1a93 4
48 2 . 3 . rr_1a93 4
48 3 . . . rr_1a93 4
49 1 2 . OR rr_1a93 4
49 2 . 3 . rr_1a93 4
49 3 . . . rr_1a93 4
50 1 . . . rr_1a93 4
51 1 . . . rr_1a93 4
52 1 . . . rr_1a93 4
53 1 . . . rr_1a93 4
54 1 . . . rr_1a93 4
55 1 . . . rr_1a93 4
56 1 . . . rr_1a93 4
57 1 . . . rr_1a93 4
58 1 . . . rr_1a93 4
59 1 . . . rr_1a93 4
60 1 2 . OR rr_1a93 4
60 2 . 3 . rr_1a93 4
60 3 . . . rr_1a93 4
61 1 2 . OR rr_1a93 4
61 2 . 3 . rr_1a93 4
61 3 . . . rr_1a93 4
62 1 2 . OR rr_1a93 4
62 2 . 3 . rr_1a93 4
62 3 . . . rr_1a93 4
63 1 . . . rr_1a93 4
64 1 . . . rr_1a93 4
65 1 . . . rr_1a93 4
66 1 . . . rr_1a93 4
67 1 . . . rr_1a93 4
68 1 . . . rr_1a93 4
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Contribution_fractional_val
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Atom_type
_Dist_constraint.Atom_isotope_number
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_entity_assembly_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 2 . 1 . 2 2 9 9 ASN HA H . . b . 10 . HA rr_1a93 4
1 2 . 2 . 1 1 12 12 LEU HB3 H . . a . 13 . HB* rr_1a93 4
1 3 . 1 . 2 2 9 9 ASN HA H . . b . 10 . HA rr_1a93 4
1 3 . 2 . 1 1 12 12 LEU HB2 H . . a . 13 . HB* rr_1a93 4
2 1 . 1 . 2 2 9 9 ASN HA H . . b . 10 . HA rr_1a93 4
2 1 . 2 . 1 1 12 12 LEU MD1 H . . a . 13 . HD1* rr_1a93 4
3 1 . 1 . 2 2 9 9 ASN HB3 H . . b . 10 . HB1 rr_1a93 4
3 1 . 2 . 1 1 12 12 LEU MD1 H . . a . 13 . HD1* rr_1a93 4
4 1 . 1 . 2 2 9 9 ASN HB3 H . . b . 10 . HB1 rr_1a93 4
4 1 . 2 . 1 1 12 12 LEU MD1 H . . a . 13 . HD1* rr_1a93 4
5 1 . 1 . 2 2 9 9 ASN HD22 H . . b . 10 . HD22 rr_1a93 4
5 1 . 2 . 1 1 9 9 GLU HA H . . a . 10 . HA rr_1a93 4
6 2 . 1 . 2 2 9 9 ASN HD21 H . . b . 10 . HD21 rr_1a93 4
6 2 . 2 . 1 1 5 5 VAL MG2 H . . a . 6 . HG* rr_1a93 4
6 3 . 1 . 2 2 9 9 ASN HD21 H . . b . 10 . HD21 rr_1a93 4
6 3 . 2 . 1 1 5 5 VAL MG1 H . . a . 6 . HG* rr_1a93 4
7 1 . 1 . 2 2 9 9 ASN HD21 H . . b . 10 . HD21 rr_1a93 4
7 1 . 2 . 1 1 12 12 LEU MD1 H . . a . 13 . HD1* rr_1a93 4
8 2 . 1 . 2 2 9 9 ASN HD22 H . . b . 10 . HD22 rr_1a93 4
8 2 . 2 . 1 1 5 5 VAL MG2 H . . a . 6 . HG* rr_1a93 4
8 3 . 1 . 2 2 9 9 ASN HD22 H . . b . 10 . HD22 rr_1a93 4
8 3 . 2 . 1 1 5 5 VAL MG1 H . . a . 6 . HG* rr_1a93 4
9 2 . 1 . 2 2 9 9 ASN HD21 H . . b . 10 . HD21 rr_1a93 4
9 2 . 2 . 1 1 8 8 GLU HB2 H . . a . 9 . HB* rr_1a93 4
9 3 . 1 . 2 2 9 9 ASN HD21 H . . b . 10 . HD21 rr_1a93 4
9 3 . 2 . 1 1 8 8 GLU HB3 H . . a . 9 . HB* rr_1a93 4
10 2 . 1 . 2 2 9 9 ASN HD22 H . . b . 10 . HD22 rr_1a93 4
10 2 . 2 . 1 1 8 8 GLU HG2 H . . a . 9 . HG* rr_1a93 4
10 3 . 1 . 2 2 9 9 ASN HD22 H . . b . 10 . HD22 rr_1a93 4
10 3 . 2 . 1 1 8 8 GLU HG3 H . . a . 9 . HG* rr_1a93 4
11 2 . 1 . 2 2 9 9 ASN HD22 H . . b . 10 . HD22 rr_1a93 4
11 2 . 2 . 1 1 9 9 GLU HG2 H . . a . 10 . HG* rr_1a93 4
11 3 . 1 . 2 2 9 9 ASN HD22 H . . b . 10 . HD22 rr_1a93 4
11 3 . 2 . 1 1 9 9 GLU HG3 H . . a . 10 . HG* rr_1a93 4
12 1 . 1 . 1 1 12 12 LEU MD2 H . . a . 13 . HD2* rr_1a93 4
12 1 . 2 . 2 2 13 13 GLN H H . . b . 14 . HN rr_1a93 4
13 1 . 1 . 2 2 12 12 HIS HE1 H . . b . 13 . HE1 rr_1a93 4
13 1 . 2 . 1 1 13 13 ILE MG H . . a . 14 . HG2* rr_1a93 4
14 1 . 1 . 2 2 12 12 HIS HE1 H . . b . 13 . HE1 rr_1a93 4
14 1 . 2 . 1 1 13 13 ILE MD H . . a . 14 . HD1* rr_1a93 4
15 1 . 1 . 2 2 12 12 HIS HE1 H . . b . 13 . HE1 rr_1a93 4
15 1 . 2 . 1 1 13 13 ILE HA H . . a . 14 . HA rr_1a93 4
16 2 . 1 . 2 2 12 12 HIS HE1 H . . b . 13 . HE1 rr_1a93 4
16 2 . 2 . 1 1 13 13 ILE HG12 H . . a . 14 . HG1* rr_1a93 4
16 3 . 1 . 2 2 12 12 HIS HE1 H . . b . 13 . HE1 rr_1a93 4
16 3 . 2 . 1 1 13 13 ILE HG13 H . . a . 14 . HG1* rr_1a93 4
17 1 . 1 . 2 2 12 12 HIS HB3 H . . b . 13 . HB1 rr_1a93 4
17 1 . 2 . 1 1 12 12 LEU HB3 H . . a . 13 . HB1 rr_1a93 4
18 1 . 1 . 2 2 12 12 HIS HB3 H . . b . 13 . HB1 rr_1a93 4
18 1 . 2 . 1 1 12 12 LEU HB2 H . . a . 13 . HB2 rr_1a93 4
19 1 . 1 . 2 2 12 12 HIS HB2 H . . b . 13 . HB2 rr_1a93 4
19 1 . 2 . 1 1 12 12 LEU HB3 H . . a . 13 . HB1 rr_1a93 4
20 1 . 1 . 2 2 12 12 HIS HB2 H . . b . 13 . HB2 rr_1a93 4
20 1 . 2 . 1 1 12 12 LEU HB2 H . . a . 13 . HB2 rr_1a93 4
21 1 . 1 . 2 2 12 12 HIS HB3 H . . b . 13 . HB1 rr_1a93 4
21 1 . 2 . 1 1 12 12 LEU MD1 H . . a . 13 . HD1* rr_1a93 4
22 1 . 1 . 2 2 12 12 HIS HB3 H . . b . 13 . HB1 rr_1a93 4
22 1 . 2 . 1 1 12 12 LEU MD2 H . . a . 13 . HD2* rr_1a93 4
23 1 . 1 . 2 2 12 12 HIS HB2 H . . b . 13 . HB2 rr_1a93 4
23 1 . 2 . 1 1 12 12 LEU MD1 H . . a . 13 . HD1* rr_1a93 4
24 1 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 4
24 1 . 2 . 1 1 12 12 LEU MD1 H . . a . 13 . HD1* rr_1a93 4
25 1 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 4
25 1 . 2 . 1 1 12 12 LEU HB3 H . . a . 13 . HB1 rr_1a93 4
26 1 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 4
26 1 . 2 . 1 1 12 12 LEU HB2 H . . a . 13 . HB2 rr_1a93 4
27 1 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 4
27 1 . 2 . 1 1 9 9 GLU HG3 H . . a . 10 . HG1 rr_1a93 4
28 1 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 4
28 1 . 2 . 1 1 9 9 GLU HG2 H . . a . 10 . HG2 rr_1a93 4
29 2 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 4
29 2 . 2 . 1 1 9 9 GLU HB2 H . . a . 10 . HB* rr_1a93 4
29 3 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 4
29 3 . 2 . 1 1 9 9 GLU HB3 H . . a . 10 . HB* rr_1a93 4
30 1 . 1 . 2 2 12 12 HIS HD2 H . . b . 13 . HD2 rr_1a93 4
30 1 . 2 . 1 1 9 9 GLU HA H . . a . 10 . HA rr_1a93 4
31 1 . 1 . 2 2 13 13 GLN H H . . b . 14 . HN rr_1a93 4
31 1 . 2 . 1 1 12 12 LEU MD2 H . . a . 13 . HD2* rr_1a93 4
32 1 . 1 . 2 2 13 13 GLN H H . . b . 14 . HN rr_1a93 4
32 1 . 2 . 1 1 12 12 LEU MD1 H . . a . 13 . HD1* rr_1a93 4
33 1 . 1 . 2 2 16 16 ILE HA H . . b . 17 . HA rr_1a93 4
33 1 . 2 . 1 1 19 19 LEU MD1 H . . a . 20 . HD1* rr_1a93 4
34 1 . 1 . 2 2 16 16 ILE HA H . . b . 17 . HA rr_1a93 4
34 1 . 2 . 1 1 16 16 GLU HA H . . a . 17 . HA rr_1a93 4
35 2 . 1 . 1 1 20 20 ARG HD2 H . . a . 21 . HD* rr_1a93 4
35 2 . 2 . 2 2 19 19 LEU MD1 H . . b . 20 . HD1* rr_1a93 4
35 3 . 1 . 1 1 20 20 ARG HD3 H . . a . 21 . HD* rr_1a93 4
35 3 . 2 . 2 2 19 19 LEU MD1 H . . b . 20 . HD1* rr_1a93 4
36 1 . 1 . 1 1 20 20 ARG H H . . a . 21 . HN rr_1a93 4
36 1 . 2 . 2 2 19 19 LEU MD2 H . . b . 20 . HD2* rr_1a93 4
37 1 . 1 . 2 2 20 20 LYS H H . . b . 21 . HN rr_1a93 4
37 1 . 2 . 1 1 19 19 LEU MD2 H . . a . 20 . HD2* rr_1a93 4
38 1 . 1 . 2 2 20 20 LYS H H . . b . 21 . HN rr_1a93 4
38 1 . 2 . 1 1 19 19 LEU MD1 H . . a . 20 . HD1* rr_1a93 4
39 1 . 1 . 2 2 20 20 LYS HA H . . b . 21 . HA rr_1a93 4
39 1 . 2 . 1 1 19 19 LEU MD2 H . . a . 20 . HD2* rr_1a93 4
40 2 . 1 . 2 2 20 20 LYS HE2 H . . b . 21 . HE* rr_1a93 4
40 2 . 2 . 1 1 19 19 LEU MD2 H . . a . 20 . HD2* rr_1a93 4
40 3 . 1 . 2 2 20 20 LYS HE3 H . . b . 21 . HE* rr_1a93 4
40 3 . 2 . 1 1 19 19 LEU MD2 H . . a . 20 . HD2* rr_1a93 4
41 2 . 1 . 2 2 20 20 LYS HE2 H . . b . 21 . HE* rr_1a93 4
41 2 . 2 . 1 1 19 19 LEU MD1 H . . a . 20 . HD1* rr_1a93 4
41 3 . 1 . 2 2 20 20 LYS HE3 H . . b . 21 . HE* rr_1a93 4
41 3 . 2 . 1 1 19 19 LEU MD1 H . . a . 20 . HD1* rr_1a93 4
42 1 . 1 . 2 2 23 23 ASN HA H . . b . 24 . HA rr_1a93 4
42 1 . 2 . 1 1 26 26 LEU MD1 H . . a . 27 . HD1* rr_1a93 4
43 1 . 1 . 2 2 23 23 ASN HB3 H . . b . 24 . HB1 rr_1a93 4
43 1 . 2 . 1 1 26 26 LEU MD1 H . . a . 27 . HD1* rr_1a93 4
44 1 . 1 . 2 2 23 23 ASN HD22 H . . b . 24 . HD22 rr_1a93 4
44 1 . 2 . 1 1 23 23 ARG HA H . . a . 24 . HA rr_1a93 4
45 1 . 1 . 2 2 23 23 ASN HD22 H . . b . 24 . HD22 rr_1a93 4
45 1 . 2 . 1 1 19 19 LEU HA H . . a . 20 . HA rr_1a93 4
46 1 . 1 . 2 2 23 23 ASN HD22 H . . b . 24 . HD22 rr_1a93 4
46 1 . 2 . 1 1 23 23 ARG HB3 H . . a . 24 . HB1 rr_1a93 4
47 1 . 1 . 2 2 23 23 ASN HD22 H . . b . 24 . HD22 rr_1a93 4
47 1 . 2 . 1 1 23 23 ARG HB2 H . . a . 24 . HB2 rr_1a93 4
48 2 . 1 . 2 2 23 23 ASN HD22 H . . b . 24 . HD22 rr_1a93 4
48 2 . 2 . 1 1 22 22 ARG HB2 H . . a . 23 . HB* rr_1a93 4
48 3 . 1 . 2 2 23 23 ASN HD22 H . . b . 24 . HD22 rr_1a93 4
48 3 . 2 . 1 1 22 22 ARG HB3 H . . a . 23 . HB* rr_1a93 4
49 2 . 1 . 2 2 23 23 ASN HD21 H . . b . 24 . HD21 rr_1a93 4
49 2 . 2 . 1 1 22 22 ARG HB2 H . . a . 23 . HB* rr_1a93 4
49 3 . 1 . 2 2 23 23 ASN HD21 H . . b . 24 . HD21 rr_1a93 4
49 3 . 2 . 1 1 22 22 ARG HB3 H . . a . 23 . HB* rr_1a93 4
50 1 . 1 . 2 2 23 23 ASN HD21 H . . b . 24 . HD21 rr_1a93 4
50 1 . 2 . 1 1 23 23 ARG H H . . a . 24 . HN rr_1a93 4
51 1 . 1 . 2 2 23 23 ASN HD22 H . . b . 24 . HD22 rr_1a93 4
51 1 . 2 . 1 1 23 23 ARG H H . . a . 24 . HN rr_1a93 4
52 1 . 1 . 2 2 23 23 ASN HD22 H . . b . 24 . HD22 rr_1a93 4
52 1 . 2 . 1 1 19 19 LEU MD2 H . . a . 20 . HD2* rr_1a93 4
53 1 . 1 . 2 2 23 23 ASN HD21 H . . b . 24 . HD21 rr_1a93 4
53 1 . 2 . 1 1 19 19 LEU MD2 H . . a . 20 . HD2* rr_1a93 4
54 1 . 1 . 2 2 23 23 ASN HD21 H . . b . 24 . HD21 rr_1a93 4
54 1 . 2 . 1 1 23 23 ARG HA H . . a . 24 . HA rr_1a93 4
55 1 . 1 . 2 2 23 23 ASN HD21 H . . b . 24 . HD21 rr_1a93 4
55 1 . 2 . 1 1 19 19 LEU HA H . . a . 20 . HA rr_1a93 4
56 1 . 1 . 2 2 23 23 ASN HD22 H . . b . 24 . HD22 rr_1a93 4
56 1 . 2 . 1 1 19 19 LEU HB3 H . . a . 20 . HB1 rr_1a93 4
57 1 . 1 . 2 2 23 23 ASN HD21 H . . b . 24 . HD21 rr_1a93 4
57 1 . 2 . 1 1 19 19 LEU HB3 H . . a . 20 . HB1 rr_1a93 4
58 1 . 1 . 2 2 23 23 ASN HA H . . b . 24 . HA rr_1a93 4
58 1 . 2 . 1 1 23 23 ARG HA H . . a . 24 . HA rr_1a93 4
59 1 . 1 . 2 2 23 23 ASN HB2 H . . b . 24 . HB2 rr_1a93 4
59 1 . 2 . 1 1 26 26 LEU MD1 H . . a . 27 . HD1* rr_1a93 4
60 2 . 1 . 2 2 23 23 ASN HD21 H . . b . 24 . HD21 rr_1a93 4
60 2 . 2 . 1 1 22 22 ARG HG2 H . . a . 23 . HG* rr_1a93 4
60 3 . 1 . 2 2 23 23 ASN HD21 H . . b . 24 . HD21 rr_1a93 4
60 3 . 2 . 1 1 22 22 ARG HG3 H . . a . 23 . HG* rr_1a93 4
61 2 . 1 . 1 1 23 23 ARG HD2 H . . a . 24 . HD* rr_1a93 4
61 2 . 2 . 2 2 19 19 LEU MD2 H . . b . 20 . HD2* rr_1a93 4
61 3 . 1 . 1 1 23 23 ARG HD3 H . . a . 24 . HD* rr_1a93 4
61 3 . 2 . 2 2 19 19 LEU MD2 H . . b . 20 . HD2* rr_1a93 4
62 2 . 1 . 1 1 23 23 ARG HD2 H . . a . 24 . HD* rr_1a93 4
62 2 . 2 . 2 2 19 19 LEU HA H . . b . 20 . HA rr_1a93 4
62 3 . 1 . 1 1 23 23 ARG HD3 H . . a . 24 . HD* rr_1a93 4
62 3 . 2 . 2 2 19 19 LEU HA H . . b . 20 . HA rr_1a93 4
63 1 . 1 . 1 1 23 23 ARG HE H . . a . 24 . HE rr_1a93 4
63 1 . 2 . 2 2 19 19 LEU HA H . . b . 20 . HA rr_1a93 4
64 1 . 1 . 2 2 27 27 GLU H H . . b . 28 . HN rr_1a93 4
64 1 . 2 . 1 1 26 26 LEU MD2 H . . a . 27 . HD2* rr_1a93 4
65 1 . 1 . 2 2 27 27 GLU H H . . b . 28 . HN rr_1a93 4
65 1 . 2 . 1 1 26 26 LEU MD1 H . . a . 27 . HD1* rr_1a93 4
66 1 . 1 . 2 2 27 27 GLU HA H . . b . 28 . HA rr_1a93 4
66 1 . 2 . 1 1 26 26 LEU MD2 H . . a . 27 . HD2* rr_1a93 4
67 1 . 1 . 2 2 27 27 GLU HA H . . b . 28 . HA rr_1a93 4
67 1 . 2 . 1 1 26 26 LEU MD1 H . . a . 27 . HD1* rr_1a93 4
68 1 . 1 . 2 2 30 30 VAL MG2 H . . b . 31 . HG2* rr_1a93 4
68 1 . 2 . 1 1 30 30 LEU H H . . a . 31 . HN rr_1a93 4
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 2 . . . . . . 4.5 1.8 5.0 rr_1a93 4
1 3 . . . . . . 4.5 1.8 5.0 rr_1a93 4
2 1 . . . . . . 3.5 1.8 5.0 rr_1a93 4
3 1 . . . . . . 3.5 1.8 4.0 rr_1a93 4
4 1 . . . . . . 4.5 1.8 5.0 rr_1a93 4
5 1 . . . . . . 3.5 1.8 5.0 rr_1a93 4
6 2 . . . . . . 2.8 1.8 5.2 rr_1a93 4
6 3 . . . . . . 2.8 1.8 5.2 rr_1a93 4
7 1 . . . . . . 4.5 1.8 5.5 rr_1a93 4
8 2 . . . . . . 2.8 1.8 5.2 rr_1a93 4
8 3 . . . . . . 2.8 1.8 5.2 rr_1a93 4
9 2 . . . . . . 4.5 1.8 5.5 rr_1a93 4
9 3 . . . . . . 4.5 1.8 5.5 rr_1a93 4
10 2 . . . . . . 4.5 1.8 5.5 rr_1a93 4
10 3 . . . . . . 4.5 1.8 5.5 rr_1a93 4
11 2 . . . . . . 4.5 1.8 5.5 rr_1a93 4
11 3 . . . . . . 4.5 1.8 5.5 rr_1a93 4
12 1 . . . . . . 3.5 1.8 4.5 rr_1a93 4
13 1 . . . . . . 3.5 1.8 4.5 rr_1a93 4
14 1 . . . . . . 3.5 1.8 4.5 rr_1a93 4
15 1 . . . . . . 4.0 1.8 4.5 rr_1a93 4
16 2 . . . . . . 3.5 1.8 4.0 rr_1a93 4
16 3 . . . . . . 3.5 1.8 4.0 rr_1a93 4
17 1 . . . . . . 4.0 1.8 4.5 rr_1a93 4
18 1 . . . . . . 4.0 1.8 4.5 rr_1a93 4
19 1 . . . . . . 4.0 1.8 4.5 rr_1a93 4
20 1 . . . . . . 4.0 1.8 4.5 rr_1a93 4
21 1 . . . . . . 3.5 1.8 4.5 rr_1a93 4
22 1 . . . . . . 4.5 1.8 5.5 rr_1a93 4
23 1 . . . . . . 3.5 1.8 4.5 rr_1a93 4
24 1 . . . . . . 3.5 1.8 4.5 rr_1a93 4
25 1 . . . . . . 4.0 1.8 4.5 rr_1a93 4
26 1 . . . . . . 3.5 1.8 4.0 rr_1a93 4
27 1 . . . . . . 3.5 1.8 4.5 rr_1a93 4
28 1 . . . . . . 3.5 1.8 4.5 rr_1a93 4
29 2 . . . . . . 4.3 3.1 4.8 rr_1a93 4
29 3 . . . . . . 4.3 3.1 4.8 rr_1a93 4
30 1 . . . . . . 4.0 1.8 4.5 rr_1a93 4
31 1 . . . . . . 3.5 2.3 4.3 rr_1a93 4
32 1 . . . . . . 3.5 2.3 4.3 rr_1a93 4
33 1 . . . . . . 3.5 1.8 4.5 rr_1a93 4
34 1 . . . . . . 4.5 1.8 5.0 rr_1a93 4
35 2 . . . . . . 4.5 1.8 5.5 rr_1a93 4
35 3 . . . . . . 4.5 1.8 5.5 rr_1a93 4
36 1 . . . . . . 4.5 1.8 5.5 rr_1a93 4
37 1 . . . . . . 4.0 1.8 5.0 rr_1a93 4
38 1 . . . . . . 4.0 1.8 5.0 rr_1a93 4
39 1 . . . . . . 4.0 1.8 5.0 rr_1a93 4
40 2 . . . . . . 4.5 1.8 5.5 rr_1a93 4
40 3 . . . . . . 4.5 1.8 5.5 rr_1a93 4
41 2 . . . . . . 4.5 1.8 5.5 rr_1a93 4
41 3 . . . . . . 4.5 1.8 5.5 rr_1a93 4
42 1 . . . . . . 3.5 1.8 4.5 rr_1a93 4
43 1 . . . . . . 3.5 1.8 4.5 rr_1a93 4
44 1 . . . . . . 4.0 1.8 4.5 rr_1a93 4
45 1 . . . . . . 4.0 1.8 4.5 rr_1a93 4
46 1 . . . . . . 4.0 1.8 4.5 rr_1a93 4
47 1 . . . . . . 4.0 1.8 4.5 rr_1a93 4
48 2 . . . . . . 3.5 1.8 4.0 rr_1a93 4
48 3 . . . . . . 3.5 1.8 4.0 rr_1a93 4
49 2 . . . . . . 3.5 1.8 4.0 rr_1a93 4
49 3 . . . . . . 3.5 1.8 4.0 rr_1a93 4
50 1 . . . . . . 3.5 1.8 4.0 rr_1a93 4
51 1 . . . . . . 3.5 1.8 4.0 rr_1a93 4
52 1 . . . . . . 3.5 1.8 4.5 rr_1a93 4
53 1 . . . . . . 2.8 1.8 3.8 rr_1a93 4
54 1 . . . . . . 4.0 1.8 4.5 rr_1a93 4
55 1 . . . . . . 4.0 1.8 4.5 rr_1a93 4
56 1 . . . . . . 3.5 1.8 4.0 rr_1a93 4
57 1 . . . . . . 3.5 1.8 4.0 rr_1a93 4
58 1 . . . . . . 4.5 1.8 5.0 rr_1a93 4
59 1 . . . . . . 3.5 1.8 4.5 rr_1a93 4
60 2 . . . . . . 4.0 1.8 5.0 rr_1a93 4
60 3 . . . . . . 4.0 1.8 5.0 rr_1a93 4
61 2 . . . . . . 4.0 2.8 4.5 rr_1a93 4
61 3 . . . . . . 4.0 2.8 4.5 rr_1a93 4
62 2 . . . . . . 4.2 3.0 4.7 rr_1a93 4
62 3 . . . . . . 4.2 3.0 4.7 rr_1a93 4
63 1 . . . . . . 4.5 3.3 5.0 rr_1a93 4
64 1 . . . . . . 4.5 3.3 5.3 rr_1a93 4
65 1 . . . . . . 4.5 3.3 5.3 rr_1a93 4
66 1 . . . . . . 3.5 2.3 4.3 rr_1a93 4
67 1 . . . . . . 4.5 3.3 5.3 rr_1a93 4
68 1 . . . . . . 4.5 2.3 5.3 rr_1a93 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
;b. INTERMONOMER NOEs (Dimer contacts)
asn-10
;
1 1 4 8 rr_1a93 4
2 cLeu-13 18 1 18 9 rr_1a93 4
3 His-13 22 1 22 8 rr_1a93 4
4 xGln-14 44 1 44 9 rr_1a93 4
5 xIle-17 50 1 50 9 rr_1a93 4
6 cArg-21 54 1 54 9 rr_1a93 4
7 xLys-21 59 1 59 9 rr_1a93 4
8 xasn-24 67 1 67 9 rr_1a93 4
9
;cArg-23
cArg-24
;
90 1 94 9 rr_1a93 4
10
;xLeu-27
assign ( resid 27 and name HD1* and segid "b" )( resid 28 and name HN and segid "a" ) 3.5 1.2 0.5
xGlu-28
;
100 1 104 9 rr_1a93 4
11 xVal-31 111 1 111 9 rr_1a93 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 8 11 1 "Not handling restraint 11, item 1, resonance(s) 'a.10.HD1*' (nmrStar names) not linked" rr_1a93 4
stop_
save_
save_CNS/XPLOR_distance_constraints_10_1
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Sf_framecode CNS/XPLOR_distance_constraints_10_1
_Distance_constraint_list.Entry_ID rr_1a93
_Distance_constraint_list.ID 5
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Details "Generated by Wattos"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 10
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_1a93 5
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_1a93 5
2 1 . . . rr_1a93 5
3 1 . . . rr_1a93 5
4 1 . . . rr_1a93 5
5 1 . . . rr_1a93 5
6 1 . . . rr_1a93 5
7 1 . . . rr_1a93 5
8 1 . . . rr_1a93 5
9 1 . . . rr_1a93 5
10 1 . . . rr_1a93 5
11 1 . . . rr_1a93 5
12 1 . . . rr_1a93 5
13 1 . . . rr_1a93 5
14 1 . . . rr_1a93 5
15 1 . . . rr_1a93 5
16 1 . . . rr_1a93 5
17 1 . . . rr_1a93 5
18 1 . . . rr_1a93 5
19 1 . . . rr_1a93 5
20 1 . . . rr_1a93 5
21 1 . . . rr_1a93 5
22 1 . . . rr_1a93 5
23 1 . . . rr_1a93 5
24 1 . . . rr_1a93 5
25 1 . . . rr_1a93 5
26 1 . . . rr_1a93 5
27 1 . . . rr_1a93 5
28 1 . . . rr_1a93 5
29 1 . . . rr_1a93 5
30 1 . . . rr_1a93 5
31 1 . . . rr_1a93 5
32 1 . . . rr_1a93 5
33 1 . . . rr_1a93 5
34 1 . . . rr_1a93 5
35 1 . . . rr_1a93 5
36 1 . . . rr_1a93 5
37 1 . . . rr_1a93 5
38 1 . . . rr_1a93 5
39 1 . . . rr_1a93 5
40 1 . . . rr_1a93 5
41 1 . . . rr_1a93 5
42 1 . . . rr_1a93 5
43 1 . . . rr_1a93 5
44 1 . . . rr_1a93 5
45 1 . . . rr_1a93 5
46 1 . . . rr_1a93 5
47 1 . . . rr_1a93 5
48 1 . . . rr_1a93 5
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 4 4 GLY O O . . a . 5 . O rr_1a93 5
1 1 . 2 . 1 1 8 8 GLU N N . . a . 9 . N rr_1a93 5
2 1 . 1 . 1 1 5 5 VAL O O . . a . 6 . O rr_1a93 5
2 1 . 2 . 1 1 9 9 GLU N N . . a . 10 . N rr_1a93 5
3 1 . 1 . 1 1 6 6 GLN O O . . a . 7 . O rr_1a93 5
3 1 . 2 . 1 1 10 10 GLN N N . . a . 11 . N rr_1a93 5
4 1 . 1 . 1 1 7 7 ALA O O . . a . 8 . O rr_1a93 5
4 1 . 2 . 1 1 11 11 LYS N N . . a . 12 . N rr_1a93 5
5 1 . 1 . 1 1 8 8 GLU O O . . a . 9 . O rr_1a93 5
5 1 . 2 . 1 1 12 12 LEU N N . . a . 13 . N rr_1a93 5
6 1 . 1 . 1 1 9 9 GLU O O . . a . 10 . O rr_1a93 5
6 1 . 2 . 1 1 13 13 ILE N N . . a . 14 . N rr_1a93 5
7 1 . 1 . 1 1 10 10 GLN O O . . a . 11 . O rr_1a93 5
7 1 . 2 . 1 1 14 14 SER N N . . a . 15 . N rr_1a93 5
8 1 . 1 . 1 1 11 11 LYS O O . . a . 12 . O rr_1a93 5
8 1 . 2 . 1 1 15 15 GLU N N . . a . 16 . N rr_1a93 5
9 1 . 1 . 1 1 12 12 LEU O O . . a . 13 . O rr_1a93 5
9 1 . 2 . 1 1 16 16 GLU N N . . a . 17 . N rr_1a93 5
10 1 . 1 . 1 1 13 13 ILE O O . . a . 14 . O rr_1a93 5
10 1 . 2 . 1 1 17 17 ASP N N . . a . 18 . N rr_1a93 5
11 1 . 1 . 1 1 14 14 SER O O . . a . 15 . O rr_1a93 5
11 1 . 2 . 1 1 18 18 LEU N N . . a . 19 . N rr_1a93 5
12 1 . 1 . 1 1 15 15 GLU O O . . a . 16 . O rr_1a93 5
12 1 . 2 . 1 1 19 19 LEU N N . . a . 20 . N rr_1a93 5
13 1 . 1 . 1 1 16 16 GLU O O . . a . 17 . O rr_1a93 5
13 1 . 2 . 1 1 20 20 ARG N N . . a . 21 . N rr_1a93 5
14 1 . 1 . 1 1 17 17 ASP O O . . a . 18 . O rr_1a93 5
14 1 . 2 . 1 1 21 21 LYS N N . . a . 22 . N rr_1a93 5
15 1 . 1 . 1 1 18 18 LEU O O . . a . 19 . O rr_1a93 5
15 1 . 2 . 1 1 22 22 ARG N N . . a . 23 . N rr_1a93 5
16 1 . 1 . 1 1 19 19 LEU O O . . a . 20 . O rr_1a93 5
16 1 . 2 . 1 1 23 23 ARG N N . . a . 24 . N rr_1a93 5
17 1 . 1 . 1 1 20 20 ARG O O . . a . 21 . O rr_1a93 5
17 1 . 2 . 1 1 24 24 GLU N N . . a . 25 . N rr_1a93 5
18 1 . 1 . 1 1 21 21 LYS O O . . a . 22 . O rr_1a93 5
18 1 . 2 . 1 1 25 25 GLN N N . . a . 26 . N rr_1a93 5
19 1 . 1 . 1 1 22 22 ARG O O . . a . 23 . O rr_1a93 5
19 1 . 2 . 1 1 26 26 LEU N N . . a . 27 . N rr_1a93 5
20 1 . 1 . 1 1 23 23 ARG O O . . a . 24 . O rr_1a93 5
20 1 . 2 . 1 1 27 27 LYS N N . . a . 28 . N rr_1a93 5
21 1 . 1 . 1 1 24 24 GLU O O . . a . 25 . O rr_1a93 5
21 1 . 2 . 1 1 28 28 HIS N N . . a . 29 . N rr_1a93 5
22 1 . 1 . 1 1 25 25 GLN O O . . a . 26 . O rr_1a93 5
22 1 . 2 . 1 1 29 29 LYS N N . . a . 30 . N rr_1a93 5
23 1 . 1 . 1 1 26 26 LEU O O . . a . 27 . O rr_1a93 5
23 1 . 2 . 1 1 30 30 LEU N N . . a . 31 . N rr_1a93 5
24 1 . 1 . 1 1 27 27 LYS O O . . a . 28 . O rr_1a93 5
24 1 . 2 . 1 1 31 31 GLU N N . . a . 32 . N rr_1a93 5
25 1 . 1 . 2 2 4 4 GLY O O . . b . 5 . O rr_1a93 5
25 1 . 2 . 2 2 8 8 LYS N N . . b . 9 . N rr_1a93 5
26 1 . 1 . 2 2 5 5 MET O O . . b . 6 . O rr_1a93 5
26 1 . 2 . 2 2 9 9 ASN N N . . b . 10 . N rr_1a93 5
27 1 . 1 . 2 2 6 6 ARG O O . . b . 7 . O rr_1a93 5
27 1 . 2 . 2 2 10 10 ASP N N . . b . 11 . N rr_1a93 5
28 1 . 1 . 2 2 7 7 ARG O O . . b . 8 . O rr_1a93 5
28 1 . 2 . 2 2 11 11 THR N N . . b . 12 . N rr_1a93 5
29 1 . 1 . 2 2 8 8 LYS O O . . b . 9 . O rr_1a93 5
29 1 . 2 . 2 2 12 12 HIS N N . . b . 13 . N rr_1a93 5
30 1 . 1 . 2 2 9 9 ASN O O . . b . 10 . O rr_1a93 5
30 1 . 2 . 2 2 13 13 GLN N N . . b . 14 . N rr_1a93 5
31 1 . 1 . 2 2 10 10 ASP O O . . b . 11 . O rr_1a93 5
31 1 . 2 . 2 2 14 14 GLN N N . . b . 15 . N rr_1a93 5
32 1 . 1 . 2 2 11 11 THR O O . . b . 12 . O rr_1a93 5
32 1 . 2 . 2 2 15 15 ASP N N . . b . 16 . N rr_1a93 5
33 1 . 1 . 2 2 12 12 HIS O O . . b . 13 . O rr_1a93 5
33 1 . 2 . 2 2 16 16 ILE N N . . b . 17 . N rr_1a93 5
34 1 . 1 . 2 2 13 13 GLN O O . . b . 14 . O rr_1a93 5
34 1 . 2 . 2 2 17 17 ASP N N . . b . 18 . N rr_1a93 5
35 1 . 1 . 2 2 14 14 GLN O O . . b . 15 . O rr_1a93 5
35 1 . 2 . 2 2 18 18 ASP N N . . b . 19 . N rr_1a93 5
36 1 . 1 . 2 2 15 15 ASP O O . . b . 16 . O rr_1a93 5
36 1 . 2 . 2 2 19 19 LEU N N . . b . 20 . N rr_1a93 5
37 1 . 1 . 2 2 16 16 ILE O O . . b . 17 . O rr_1a93 5
37 1 . 2 . 2 2 20 20 LYS N N . . b . 21 . N rr_1a93 5
38 1 . 1 . 2 2 17 17 ASP O O . . b . 18 . O rr_1a93 5
38 1 . 2 . 2 2 21 21 ARG N N . . b . 22 . N rr_1a93 5
39 1 . 1 . 2 2 18 18 ASP O O . . b . 19 . O rr_1a93 5
39 1 . 2 . 2 2 22 22 GLN N N . . b . 23 . N rr_1a93 5
40 1 . 1 . 2 2 19 19 LEU O O . . b . 20 . O rr_1a93 5
40 1 . 2 . 2 2 23 23 ASN N N . . b . 24 . N rr_1a93 5
41 1 . 1 . 2 2 20 20 LYS O O . . b . 21 . O rr_1a93 5
41 1 . 2 . 2 2 24 24 ALA N N . . b . 25 . N rr_1a93 5
42 1 . 1 . 2 2 21 21 ARG O O . . b . 22 . O rr_1a93 5
42 1 . 2 . 2 2 25 25 LEU N N . . b . 26 . N rr_1a93 5
43 1 . 1 . 2 2 22 22 GLN O O . . b . 23 . O rr_1a93 5
43 1 . 2 . 2 2 26 26 LEU N N . . b . 27 . N rr_1a93 5
44 1 . 1 . 2 2 23 23 ASN O O . . b . 24 . O rr_1a93 5
44 1 . 2 . 2 2 27 27 GLU N N . . b . 28 . N rr_1a93 5
45 1 . 1 . 2 2 24 24 ALA O O . . b . 25 . O rr_1a93 5
45 1 . 2 . 2 2 28 28 GLN N N . . b . 29 . N rr_1a93 5
46 1 . 1 . 2 2 25 25 LEU O O . . b . 26 . O rr_1a93 5
46 1 . 2 . 2 2 29 29 GLN N N . . b . 30 . N rr_1a93 5
47 1 . 1 . 2 2 26 26 LEU O O . . b . 27 . O rr_1a93 5
47 1 . 2 . 2 2 30 30 VAL N N . . b . 31 . N rr_1a93 5
48 1 . 1 . 2 2 27 27 GLU O O . . b . 28 . O rr_1a93 5
48 1 . 2 . 2 2 31 31 ARG N N . . b . 32 . N rr_1a93 5
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Spectral_peak_list_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
2 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
3 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
4 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
5 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
6 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
7 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
8 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
9 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
10 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
11 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
12 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
13 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
14 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
15 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
16 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
17 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
18 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
19 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
20 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
21 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
22 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
23 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
24 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
25 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
26 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
27 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
28 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
29 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
30 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
31 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
32 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
33 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
34 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
35 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
36 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
37 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
38 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
39 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
40 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
41 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
42 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
43 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
44 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
45 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
46 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
47 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
48 1 . . . . . . 2.8 2.4 3.3 rr_1a93 5
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 "Hbonds: intramonomer A" 1 1 1 25 rr_1a93 5
2 "Hbonds intramonomers B" 29 1 29 25 rr_1a93 5
stop_
save_
save_CNS/XPLOR_dihedral_12
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Sf_framecode CNS/XPLOR_dihedral_12
_Torsion_angle_constraint_list.Entry_ID rr_1a93
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Details "Generated by Wattos"
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 12
loop_
_Torsion_angle_constraint_software.Software_ID
_Torsion_angle_constraint_software.Software_label
_Torsion_angle_constraint_software.Method_ID
_Torsion_angle_constraint_software.Method_label
_Torsion_angle_constraint_software.Entry_ID
_Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID
. . . . rr_1a93 1
stop_
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Atom_type_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Atom_type_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Atom_type_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Atom_type_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.PDB_record_ID_1
_Torsion_angle_constraint.PDB_model_num_1
_Torsion_angle_constraint.PDB_strand_ID_1
_Torsion_angle_constraint.PDB_ins_code_1
_Torsion_angle_constraint.PDB_residue_no_1
_Torsion_angle_constraint.PDB_residue_name_1
_Torsion_angle_constraint.PDB_atom_name_1
_Torsion_angle_constraint.PDB_record_ID_2
_Torsion_angle_constraint.PDB_model_num_2
_Torsion_angle_constraint.PDB_strand_ID_2
_Torsion_angle_constraint.PDB_ins_code_2
_Torsion_angle_constraint.PDB_residue_no_2
_Torsion_angle_constraint.PDB_residue_name_2
_Torsion_angle_constraint.PDB_atom_name_2
_Torsion_angle_constraint.PDB_record_ID_3
_Torsion_angle_constraint.PDB_model_num_3
_Torsion_angle_constraint.PDB_strand_ID_3
_Torsion_angle_constraint.PDB_ins_code_3
_Torsion_angle_constraint.PDB_residue_no_3
_Torsion_angle_constraint.PDB_residue_name_3
_Torsion_angle_constraint.PDB_atom_name_3
_Torsion_angle_constraint.PDB_record_ID_4
_Torsion_angle_constraint.PDB_model_num_4
_Torsion_angle_constraint.PDB_strand_ID_4
_Torsion_angle_constraint.PDB_ins_code_4
_Torsion_angle_constraint.PDB_residue_no_4
_Torsion_angle_constraint.PDB_residue_name_4
_Torsion_angle_constraint.PDB_atom_name_4
_Torsion_angle_constraint.Auth_entity_assembly_ID_1
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_chain_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_alt_ID_1
_Torsion_angle_constraint.Auth_atom_name_1
_Torsion_angle_constraint.Auth_entity_assembly_ID_2
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_chain_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_alt_ID_2
_Torsion_angle_constraint.Auth_atom_name_2
_Torsion_angle_constraint.Auth_entity_assembly_ID_3
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_chain_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_alt_ID_3
_Torsion_angle_constraint.Auth_atom_name_3
_Torsion_angle_constraint.Auth_entity_assembly_ID_4
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_chain_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Auth_alt_ID_4
_Torsion_angle_constraint.Auth_atom_name_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . 1 1 5 5 VAL C C . . 1 1 6 6 GLN N N . . 1 1 6 6 GLN CA C . . 1 1 6 6 GLN C C . -100.0 -20.0 . . . A . 6 VAL C . . A . 7 GLN N . . A . 7 GLN CA . . A . 7 GLN C . a . 6 . C . . . a . 7 . N . . . a . 7 . CA . . . a . 7 . C . . rr_1a93 1
2 . . 1 1 6 6 GLN C C . . 1 1 7 7 ALA N N . . 1 1 7 7 ALA CA C . . 1 1 7 7 ALA C C . -100.0 -20.0 . . . A . 7 GLN C . . A . 8 ALA N . . A . 8 ALA CA . . A . 8 ALA C . a . 7 . C . . . a . 8 . N . . . a . 8 . CA . . . a . 8 . C . . rr_1a93 1
3 . . 1 1 7 7 ALA C C . . 1 1 8 8 GLU N N . . 1 1 8 8 GLU CA C . . 1 1 8 8 GLU C C . -100.0 -20.0 . . . A . 8 ALA C . . A . 9 GLU N . . A . 9 GLU CA . . A . 9 GLU C . a . 8 . C . . . a . 9 . N . . . a . 9 . CA . . . a . 9 . C . . rr_1a93 1
4 . . 1 1 8 8 GLU C C . . 1 1 9 9 GLU N N . . 1 1 9 9 GLU CA C . . 1 1 9 9 GLU C C . -100.0 -20.0 . . . A . 9 GLU C . . A . 10 GLU N . . A . 10 GLU CA . . A . 10 GLU C . a . 9 . C . . . a . 10 . N . . . a . 10 . CA . . . a . 10 . C . . rr_1a93 1
5 . . 1 1 9 9 GLU C C . . 1 1 10 10 GLN N N . . 1 1 10 10 GLN CA C . . 1 1 10 10 GLN C C . -100.0 -20.0 . . . A . 10 GLU C . . A . 11 GLN N . . A . 11 GLN CA . . A . 11 GLN C . a . 10 . C . . . a . 11 . N . . . a . 11 . CA . . . a . 11 . C . . rr_1a93 1
6 . . 1 1 10 10 GLN C C . . 1 1 11 11 LYS N N . . 1 1 11 11 LYS CA C . . 1 1 11 11 LYS C C . -100.0 -20.0 . . . A . 11 GLN C . . A . 12 LYS N . . A . 12 LYS CA . . A . 12 LYS C . a . 11 . C . . . a . 12 . N . . . a . 12 . CA . . . a . 12 . C . . rr_1a93 1
7 . . 1 1 11 11 LYS C C . . 1 1 12 12 LEU N N . . 1 1 12 12 LEU CA C . . 1 1 12 12 LEU C C . -100.0 -20.0 . . . A . 12 LYS C . . A . 13 LEU N . . A . 13 LEU CA . . A . 13 LEU C . a . 12 . C . . . a . 13 . N . . . a . 13 . CA . . . a . 13 . C . . rr_1a93 1
8 . . 1 1 12 12 LEU C C . . 1 1 13 13 ILE N N . . 1 1 13 13 ILE CA C . . 1 1 13 13 ILE C C . -100.0 -20.0 . . . A . 13 LEU C . . A . 14 ILE N . . A . 14 ILE CA . . A . 14 ILE C . a . 13 . C . . . a . 14 . N . . . a . 14 . CA . . . a . 14 . C . . rr_1a93 1
9 . . 1 1 13 13 ILE C C . . 1 1 14 14 SER N N . . 1 1 14 14 SER CA C . . 1 1 14 14 SER C C . -100.0 -20.0 . . . A . 14 ILE C . . A . 15 SER N . . A . 15 SER CA . . A . 15 SER C . a . 14 . C . . . a . 15 . N . . . a . 15 . CA . . . a . 15 . C . . rr_1a93 1
10 . . 1 1 14 14 SER C C . . 1 1 15 15 GLU N N . . 1 1 15 15 GLU CA C . . 1 1 15 15 GLU C C . -100.0 -20.0 . . . A . 15 SER C . . A . 16 GLU N . . A . 16 GLU CA . . A . 16 GLU C . a . 15 . C . . . a . 16 . N . . . a . 16 . CA . . . a . 16 . C . . rr_1a93 1
11 . . 1 1 15 15 GLU C C . . 1 1 16 16 GLU N N . . 1 1 16 16 GLU CA C . . 1 1 16 16 GLU C C . -100.0 -20.0 . . . A . 16 GLU C . . A . 17 GLU N . . A . 17 GLU CA . . A . 17 GLU C . a . 16 . C . . . a . 17 . N . . . a . 17 . CA . . . a . 17 . C . . rr_1a93 1
12 . . 1 1 16 16 GLU C C . . 1 1 17 17 ASP N N . . 1 1 17 17 ASP CA C . . 1 1 17 17 ASP C C . -100.0 -20.0 . . . A . 17 GLU C . . A . 18 ASP N . . A . 18 ASP CA . . A . 18 ASP C . a . 17 . C . . . a . 18 . N . . . a . 18 . CA . . . a . 18 . C . . rr_1a93 1
13 . . 1 1 17 17 ASP C C . . 1 1 18 18 LEU N N . . 1 1 18 18 LEU CA C . . 1 1 18 18 LEU C C . -100.0 -20.0 . . . A . 18 ASP C . . A . 19 LEU N . . A . 19 LEU CA . . A . 19 LEU C . a . 18 . C . . . a . 19 . N . . . a . 19 . CA . . . a . 19 . C . . rr_1a93 1
14 . . 1 1 18 18 LEU C C . . 1 1 19 19 LEU N N . . 1 1 19 19 LEU CA C . . 1 1 19 19 LEU C C . -100.0 -20.0 . . . A . 19 LEU C . . A . 20 LEU N . . A . 20 LEU CA . . A . 20 LEU C . a . 19 . C . . . a . 20 . N . . . a . 20 . CA . . . a . 20 . C . . rr_1a93 1
15 . . 1 1 19 19 LEU C C . . 1 1 20 20 ARG N N . . 1 1 20 20 ARG CA C . . 1 1 20 20 ARG C C . -100.0 -20.0 . . . A . 20 LEU C . . A . 21 ARG N . . A . 21 ARG CA . . A . 21 ARG C . a . 20 . C . . . a . 21 . N . . . a . 21 . CA . . . a . 21 . C . . rr_1a93 1
16 . . 1 1 20 20 ARG C C . . 1 1 21 21 LYS N N . . 1 1 21 21 LYS CA C . . 1 1 21 21 LYS C C . -100.0 -20.0 . . . A . 21 ARG C . . A . 22 LYS N . . A . 22 LYS CA . . A . 22 LYS C . a . 21 . C . . . a . 22 . N . . . a . 22 . CA . . . a . 22 . C . . rr_1a93 1
17 . . 1 1 21 21 LYS C C . . 1 1 22 22 ARG N N . . 1 1 22 22 ARG CA C . . 1 1 22 22 ARG C C . -100.0 -20.0 . . . A . 22 LYS C . . A . 23 ARG N . . A . 23 ARG CA . . A . 23 ARG C . a . 22 . C . . . a . 23 . N . . . a . 23 . CA . . . a . 23 . C . . rr_1a93 1
18 . . 1 1 22 22 ARG C C . . 1 1 23 23 ARG N N . . 1 1 23 23 ARG CA C . . 1 1 23 23 ARG C C . -100.0 -20.0 . . . A . 23 ARG C . . A . 24 ARG N . . A . 24 ARG CA . . A . 24 ARG C . a . 23 . C . . . a . 24 . N . . . a . 24 . CA . . . a . 24 . C . . rr_1a93 1
19 . . 1 1 23 23 ARG C C . . 1 1 24 24 GLU N N . . 1 1 24 24 GLU CA C . . 1 1 24 24 GLU C C . -100.0 -20.0 . . . A . 24 ARG C . . A . 25 GLU N . . A . 25 GLU CA . . A . 25 GLU C . a . 24 . C . . . a . 25 . N . . . a . 25 . CA . . . a . 25 . C . . rr_1a93 1
20 . . 1 1 24 24 GLU C C . . 1 1 25 25 GLN N N . . 1 1 25 25 GLN CA C . . 1 1 25 25 GLN C C . -100.0 -20.0 . . . A . 25 GLU C . . A . 26 GLN N . . A . 26 GLN CA . . A . 26 GLN C . a . 25 . C . . . a . 26 . N . . . a . 26 . CA . . . a . 26 . C . . rr_1a93 1
21 . . 1 1 25 25 GLN C C . . 1 1 26 26 LEU N N . . 1 1 26 26 LEU CA C . . 1 1 26 26 LEU C C . -100.0 -20.0 . . . A . 26 GLN C . . A . 27 LEU N . . A . 27 LEU CA . . A . 27 LEU C . a . 26 . C . . . a . 27 . N . . . a . 27 . CA . . . a . 27 . C . . rr_1a93 1
22 . . 1 1 26 26 LEU C C . . 1 1 27 27 LYS N N . . 1 1 27 27 LYS CA C . . 1 1 27 27 LYS C C . -100.0 -20.0 . . . A . 27 LEU C . . A . 28 LYS N . . A . 28 LYS CA . . A . 28 LYS C . a . 27 . C . . . a . 28 . N . . . a . 28 . CA . . . a . 28 . C . . rr_1a93 1
23 . . 1 1 27 27 LYS C C . . 1 1 28 28 HIS N N . . 1 1 28 28 HIS CA C . . 1 1 28 28 HIS C C . -100.0 -20.0 . . . A . 28 LYS C . . A . 29 HIS N . . A . 29 HIS CA . . A . 29 HIS C . a . 28 . C . . . a . 29 . N . . . a . 29 . CA . . . a . 29 . C . . rr_1a93 1
24 . . 1 1 28 28 HIS C C . . 1 1 29 29 LYS N N . . 1 1 29 29 LYS CA C . . 1 1 29 29 LYS C C . -100.0 -20.0 . . . A . 29 HIS C . . A . 30 LYS N . . A . 30 LYS CA . . A . 30 LYS C . a . 29 . C . . . a . 30 . N . . . a . 30 . CA . . . a . 30 . C . . rr_1a93 1
25 . . 1 1 29 29 LYS C C . . 1 1 30 30 LEU N N . . 1 1 30 30 LEU CA C . . 1 1 30 30 LEU C C . -100.0 -20.0 . . . A . 30 LYS C . . A . 31 LEU N . . A . 31 LEU CA . . A . 31 LEU C . a . 30 . C . . . a . 31 . N . . . a . 31 . CA . . . a . 31 . C . . rr_1a93 1
26 . . 1 1 30 30 LEU C C . . 1 1 31 31 GLU N N . . 1 1 31 31 GLU CA C . . 1 1 31 31 GLU C C . -100.0 -20.0 . . . A . 31 LEU C . . A . 32 GLU N . . A . 32 GLU CA . . A . 32 GLU C . a . 31 . C . . . a . 32 . N . . . a . 32 . CA . . . a . 32 . C . . rr_1a93 1
27 . . 1 1 31 31 GLU C C . . 1 1 32 32 GLN N N . . 1 1 32 32 GLN CA C . . 1 1 32 32 GLN C C . -100.0 -20.0 . . . A . 32 GLU C . . A . 33 GLN N . . A . 33 GLN CA . . A . 33 GLN C . a . 32 . C . . . a . 33 . N . . . a . 33 . CA . . . a . 33 . C . . rr_1a93 1
28 . . 2 2 5 5 MET C C . . 2 2 6 6 ARG N N . . 2 2 6 6 ARG CA C . . 2 2 6 6 ARG C C . -100.0 -20.0 . . . B . 6 MET C . . B . 7 ARG N . . B . 7 ARG CA . . B . 7 ARG C . b . 6 . C . . . b . 7 . N . . . b . 7 . CA . . . b . 7 . C . . rr_1a93 1
29 . . 2 2 6 6 ARG C C . . 2 2 7 7 ARG N N . . 2 2 7 7 ARG CA C . . 2 2 7 7 ARG C C . -100.0 -20.0 . . . B . 7 ARG C . . B . 8 ARG N . . B . 8 ARG CA . . B . 8 ARG C . b . 7 . C . . . b . 8 . N . . . b . 8 . CA . . . b . 8 . C . . rr_1a93 1
30 . . 2 2 7 7 ARG C C . . 2 2 8 8 LYS N N . . 2 2 8 8 LYS CA C . . 2 2 8 8 LYS C C . -100.0 -20.0 . . . B . 8 ARG C . . B . 9 LYS N . . B . 9 LYS CA . . B . 9 LYS C . b . 8 . C . . . b . 9 . N . . . b . 9 . CA . . . b . 9 . C . . rr_1a93 1
31 . . 2 2 8 8 LYS C C . . 2 2 9 9 ASN N N . . 2 2 9 9 ASN CA C . . 2 2 9 9 ASN C C . -100.0 -20.0 . . . B . 9 LYS C . . B . 10 ASN N . . B . 10 ASN CA . . B . 10 ASN C . b . 9 . C . . . b . 10 . N . . . b . 10 . CA . . . b . 10 . C . . rr_1a93 1
32 . . 2 2 9 9 ASN C C . . 2 2 10 10 ASP N N . . 2 2 10 10 ASP CA C . . 2 2 10 10 ASP C C . -100.0 -20.0 . . . B . 10 ASN C . . B . 11 ASP N . . B . 11 ASP CA . . B . 11 ASP C . b . 10 . C . . . b . 11 . N . . . b . 11 . CA . . . b . 11 . C . . rr_1a93 1
33 . . 2 2 10 10 ASP C C . . 2 2 11 11 THR N N . . 2 2 11 11 THR CA C . . 2 2 11 11 THR C C . -100.0 -20.0 . . . B . 11 ASP C . . B . 12 THR N . . B . 12 THR CA . . B . 12 THR C . b . 11 . C . . . b . 12 . N . . . b . 12 . CA . . . b . 12 . C . . rr_1a93 1
34 . . 2 2 11 11 THR C C . . 2 2 12 12 HIS N N . . 2 2 12 12 HIS CA C . . 2 2 12 12 HIS C C . -100.0 -20.0 . . . B . 12 THR C . . B . 13 HIS N . . B . 13 HIS CA . . B . 13 HIS C . b . 12 . C . . . b . 13 . N . . . b . 13 . CA . . . b . 13 . C . . rr_1a93 1
35 . . 2 2 12 12 HIS C C . . 2 2 13 13 GLN N N . . 2 2 13 13 GLN CA C . . 2 2 13 13 GLN C C . -100.0 -20.0 . . . B . 13 HIS C . . B . 14 GLN N . . B . 14 GLN CA . . B . 14 GLN C . b . 13 . C . . . b . 14 . N . . . b . 14 . CA . . . b . 14 . C . . rr_1a93 1
36 . . 2 2 13 13 GLN C C . . 2 2 14 14 GLN N N . . 2 2 14 14 GLN CA C . . 2 2 14 14 GLN C C . -100.0 -20.0 . . . B . 14 GLN C . . B . 15 GLN N . . B . 15 GLN CA . . B . 15 GLN C . b . 14 . C . . . b . 15 . N . . . b . 15 . CA . . . b . 15 . C . . rr_1a93 1
37 . . 2 2 14 14 GLN C C . . 2 2 15 15 ASP N N . . 2 2 15 15 ASP CA C . . 2 2 15 15 ASP C C . -100.0 -20.0 . . . B . 15 GLN C . . B . 16 ASP N . . B . 16 ASP CA . . B . 16 ASP C . b . 15 . C . . . b . 16 . N . . . b . 16 . CA . . . b . 16 . C . . rr_1a93 1
38 . . 2 2 15 15 ASP C C . . 2 2 16 16 ILE N N . . 2 2 16 16 ILE CA C . . 2 2 16 16 ILE C C . -100.0 -20.0 . . . B . 16 ASP C . . B . 17 ILE N . . B . 17 ILE CA . . B . 17 ILE C . b . 16 . C . . . b . 17 . N . . . b . 17 . CA . . . b . 17 . C . . rr_1a93 1
39 . . 2 2 16 16 ILE C C . . 2 2 17 17 ASP N N . . 2 2 17 17 ASP CA C . . 2 2 17 17 ASP C C . -100.0 -20.0 . . . B . 17 ILE C . . B . 18 ASP N . . B . 18 ASP CA . . B . 18 ASP C . b . 17 . C . . . b . 18 . N . . . b . 18 . CA . . . b . 18 . C . . rr_1a93 1
40 . . 2 2 17 17 ASP C C . . 2 2 18 18 ASP N N . . 2 2 18 18 ASP CA C . . 2 2 18 18 ASP C C . -100.0 -20.0 . . . B . 18 ASP C . . B . 19 ASP N . . B . 19 ASP CA . . B . 19 ASP C . b . 18 . C . . . b . 19 . N . . . b . 19 . CA . . . b . 19 . C . . rr_1a93 1
41 . . 2 2 18 18 ASP C C . . 2 2 19 19 LEU N N . . 2 2 19 19 LEU CA C . . 2 2 19 19 LEU C C . -100.0 -20.0 . . . B . 19 ASP C . . B . 20 LEU N . . B . 20 LEU CA . . B . 20 LEU C . b . 19 . C . . . b . 20 . N . . . b . 20 . CA . . . b . 20 . C . . rr_1a93 1
42 . . 2 2 19 19 LEU C C . . 2 2 20 20 LYS N N . . 2 2 20 20 LYS CA C . . 2 2 20 20 LYS C C . -100.0 -20.0 . . . B . 20 LEU C . . B . 21 LYS N . . B . 21 LYS CA . . B . 21 LYS C . b . 20 . C . . . b . 21 . N . . . b . 21 . CA . . . b . 21 . C . . rr_1a93 1
43 . . 2 2 21 21 ARG C C . . 2 2 22 22 GLN N N . . 2 2 22 22 GLN CA C . . 2 2 22 22 GLN C C . -100.0 -20.0 . . . B . 22 ARG C . . B . 23 GLN N . . B . 23 GLN CA . . B . 23 GLN C . b . 22 . C . . . b . 23 . N . . . b . 23 . CA . . . b . 23 . C . . rr_1a93 1
44 . . 2 2 22 22 GLN C C . . 2 2 23 23 ASN N N . . 2 2 23 23 ASN CA C . . 2 2 23 23 ASN C C . -100.0 -20.0 . . . B . 23 GLN C . . B . 24 ASN N . . B . 24 ASN CA . . B . 24 ASN C . b . 23 . C . . . b . 24 . N . . . b . 24 . CA . . . b . 24 . C . . rr_1a93 1
45 . . 2 2 23 23 ASN C C . . 2 2 24 24 ALA N N . . 2 2 24 24 ALA CA C . . 2 2 24 24 ALA C C . -100.0 -20.0 . . . B . 24 ASN C . . B . 25 ALA N . . B . 25 ALA CA . . B . 25 ALA C . b . 24 . C . . . b . 25 . N . . . b . 25 . CA . . . b . 25 . C . . rr_1a93 1
46 . . 2 2 24 24 ALA C C . . 2 2 25 25 LEU N N . . 2 2 25 25 LEU CA C . . 2 2 25 25 LEU C C . -100.0 -20.0 . . . B . 25 ALA C . . B . 26 LEU N . . B . 26 LEU CA . . B . 26 LEU C . b . 25 . C . . . b . 26 . N . . . b . 26 . CA . . . b . 26 . C . . rr_1a93 1
47 . . 2 2 25 25 LEU C C . . 2 2 26 26 LEU N N . . 2 2 26 26 LEU CA C . . 2 2 26 26 LEU C C . -100.0 -20.0 . . . B . 26 LEU C . . B . 27 LEU N . . B . 27 LEU CA . . B . 27 LEU C . b . 26 . C . . . b . 27 . N . . . b . 27 . CA . . . b . 27 . C . . rr_1a93 1
48 . . 2 2 26 26 LEU C C . . 2 2 27 27 GLU N N . . 2 2 27 27 GLU CA C . . 2 2 27 27 GLU C C . -100.0 -20.0 . . . B . 27 LEU C . . B . 28 GLU N . . B . 28 GLU CA . . B . 28 GLU C . b . 27 . C . . . b . 28 . N . . . b . 28 . CA . . . b . 28 . C . . rr_1a93 1
49 . . 2 2 27 27 GLU C C . . 2 2 28 28 GLN N N . . 2 2 28 28 GLN CA C . . 2 2 28 28 GLN C C . -100.0 -20.0 . . . B . 28 GLU C . . B . 29 GLN N . . B . 29 GLN CA . . B . 29 GLN C . b . 28 . C . . . b . 29 . N . . . b . 29 . CA . . . b . 29 . C . . rr_1a93 1
50 . . 2 2 28 28 GLN C C . . 2 2 29 29 GLN N N . . 2 2 29 29 GLN CA C . . 2 2 29 29 GLN C C . -100.0 -20.0 . . . B . 29 GLN C . . B . 30 GLN N . . B . 30 GLN CA . . B . 30 GLN C . b . 29 . C . . . b . 30 . N . . . b . 30 . CA . . . b . 30 . C . . rr_1a93 1
51 . . 2 2 29 29 GLN C C . . 2 2 30 30 VAL N N . . 2 2 30 30 VAL CA C . . 2 2 30 30 VAL C C . -100.0 -20.0 . . . B . 30 GLN C . . B . 31 VAL N . . B . 31 VAL CA . . B . 31 VAL C . b . 30 . C . . . b . 31 . N . . . b . 31 . CA . . . b . 31 . C . . rr_1a93 1
52 . . 2 2 30 30 VAL C C . . 2 2 31 31 ARG N N . . 2 2 31 31 ARG CA C . . 2 2 31 31 ARG C C . -100.0 -20.0 . . . B . 31 VAL C . . B . 32 ARG N . . B . 32 ARG CA . . B . 32 ARG C . b . 31 . C . . . b . 32 . N . . . b . 32 . CA . . . b . 32 . C . . rr_1a93 1
53 . . 2 2 31 31 ARG C C . . 2 2 32 32 ALA N N . . 2 2 32 32 ALA CA C . . 2 2 32 32 ALA C C . -100.0 -20.0 . . . B . 32 ARG C . . B . 33 ALA N . . B . 33 ALA CA . . B . 33 ALA C . b . 32 . C . . . b . 33 . N . . . b . 33 . CA . . . b . 33 . C . . rr_1a93 1
54 . . 1 1 12 12 LEU N N . . 1 1 12 12 LEU CA C . . 1 1 12 12 LEU CB C . . 1 1 12 12 LEU CG C . -100.0 -20.0 . . . A . 13 LEU N . . A . 13 LEU CA . . A . 13 LEU CB . . A . 13 LEU CG . a . 13 . N . . . a . 13 . CA . . . a . 13 . CB . . . a . 13 . CG . . rr_1a93 1
55 . . 1 1 13 13 ILE N N . . 1 1 13 13 ILE CA C . . 1 1 13 13 ILE CB C . . 1 1 13 13 ILE CG1 C . -100.0 -20.0 . . . A . 14 ILE N . . A . 14 ILE CA . . A . 14 ILE CB . . A . 14 ILE CG1 . a . 14 . N . . . a . 14 . CA . . . a . 14 . CB . . . a . 14 . CG1 . . rr_1a93 1
56 . . 1 1 19 19 LEU N N . . 1 1 19 19 LEU CA C . . 1 1 19 19 LEU CB C . . 1 1 19 19 LEU CG C . -100.0 -20.0 . . . A . 20 LEU N . . A . 20 LEU CA . . A . 20 LEU CB . . A . 20 LEU CG . a . 20 . N . . . a . 20 . CA . . . a . 20 . CB . . . a . 20 . CG . . rr_1a93 1
57 . . 1 1 26 26 LEU N N . . 1 1 26 26 LEU CA C . . 1 1 26 26 LEU CB C . . 1 1 26 26 LEU CG C . -100.0 -20.0 . . . A . 27 LEU N . . A . 27 LEU CA . . A . 27 LEU CB . . A . 27 LEU CG . a . 27 . N . . . a . 27 . CA . . . a . 27 . CB . . . a . 27 . CG . . rr_1a93 1
58 . . 1 1 33 33 LEU N N . . 1 1 33 33 LEU CA C . . 1 1 33 33 LEU CB C . . 1 1 33 33 LEU CG C . -100.0 -20.0 . . . A . 34 LEU N . . A . 34 LEU CA . . A . 34 LEU CB . . A . 34 LEU CG . a . 34 . N . . . a . 34 . CA . . . a . 34 . CB . . . a . 34 . CG . . rr_1a93 1
59 . . 2 2 9 9 ASN N N . . 2 2 9 9 ASN CA C . . 2 2 9 9 ASN CB C . . 2 2 9 9 ASN CG C . -100.0 -20.0 . . . B . 10 ASN N . . B . 10 ASN CA . . B . 10 ASN CB . . B . 10 ASN CG . b . 10 . N . . . b . 10 . CA . . . b . 10 . CB . . . b . 10 . CG . . rr_1a93 1
60 . . 2 2 12 12 HIS N N . . 2 2 12 12 HIS CA C . . 2 2 12 12 HIS CB C . . 2 2 12 12 HIS CG C . -100.0 -20.0 . . . B . 13 HIS N . . B . 13 HIS CA . . B . 13 HIS CB . . B . 13 HIS CG . b . 13 . N . . . b . 13 . CA . . . b . 13 . CB . . . b . 13 . CG . . rr_1a93 1
61 . . 2 2 15 15 ASP N N . . 2 2 15 15 ASP CA C . . 2 2 15 15 ASP CB C . . 2 2 15 15 ASP CG C . 140.0 220.0 . . . B . 16 ASP N . . B . 16 ASP CA . . B . 16 ASP CB . . B . 16 ASP CG . b . 16 . N . . . b . 16 . CA . . . b . 16 . CB . . . b . 16 . CG . . rr_1a93 1
62 . . 2 2 16 16 ILE N N . . 2 2 16 16 ILE CA C . . 2 2 16 16 ILE CB C . . 2 2 16 16 ILE CG1 C . -100.0 -20.0 . . . B . 17 ILE N . . B . 17 ILE CA . . B . 17 ILE CB . . B . 17 ILE CG1 . b . 17 . N . . . b . 17 . CA . . . b . 17 . CB . . . b . 17 . CG1 . . rr_1a93 1
63 . . 2 2 17 17 ASP N N . . 2 2 17 17 ASP CA C . . 2 2 17 17 ASP CB C . . 2 2 17 17 ASP CG C . -100.0 -20.0 . . . B . 18 ASP N . . B . 18 ASP CA . . B . 18 ASP CB . . B . 18 ASP CG . b . 18 . N . . . b . 18 . CA . . . b . 18 . CB . . . b . 18 . CG . . rr_1a93 1
64 . . 2 2 18 18 ASP N N . . 2 2 18 18 ASP CA C . . 2 2 18 18 ASP CB C . . 2 2 18 18 ASP CG C . 140.0 220.0 . . . B . 19 ASP N . . B . 19 ASP CA . . B . 19 ASP CB . . B . 19 ASP CG . b . 19 . N . . . b . 19 . CA . . . b . 19 . CB . . . b . 19 . CG . . rr_1a93 1
65 . . 2 2 19 19 LEU N N . . 2 2 19 19 LEU CA C . . 2 2 19 19 LEU CB C . . 2 2 19 19 LEU CG C . -100.0 -20.0 . . . B . 20 LEU N . . B . 20 LEU CA . . B . 20 LEU CB . . B . 20 LEU CG . b . 20 . N . . . b . 20 . CA . . . b . 20 . CB . . . b . 20 . CG . . rr_1a93 1
66 . . 2 2 23 23 ASN N N . . 2 2 23 23 ASN CA C . . 2 2 23 23 ASN CB C . . 2 2 23 23 ASN CG C . -100.0 -20.0 . . . B . 24 ASN N . . B . 24 ASN CA . . B . 24 ASN CB . . B . 24 ASN CG . b . 24 . N . . . b . 24 . CA . . . b . 24 . CB . . . b . 24 . CG . . rr_1a93 1
67 . . 2 2 26 26 LEU N N . . 2 2 26 26 LEU CA C . . 2 2 26 26 LEU CB C . . 2 2 26 26 LEU CG C . -100.0 -20.0 . . . B . 27 LEU N . . B . 27 LEU CA . . B . 27 LEU CB . . B . 27 LEU CG . b . 27 . N . . . b . 27 . CA . . . b . 27 . CB . . . b . 27 . CG . . rr_1a93 1
68 . . 2 2 33 33 LEU N N . . 2 2 33 33 LEU CA C . . 2 2 33 33 LEU CB C . . 2 2 33 33 LEU CG C . -100.0 -20.0 . . . B . 34 LEU N . . B . 34 LEU CA . . B . 34 LEU CB . . B . 34 LEU CG . b . 34 . N . . . b . 34 . CA . . . b . 34 . CB . . . b . 34 . CG . . rr_1a93 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "phi restraints c-Myc" 1 1 1 26 rr_1a93 1
2 "phi restraints Max" 86 1 86 21 rr_1a93 1
3 "chi 1 c-Myc" 167 1 167 13 rr_1a93 1
4 "chi 1 Max" 184 1 184 11 rr_1a93 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_framecode MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1a93
_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 LEUCINE ZIPPER 15-APR-98 1A93 *TITLE NMR SOLUTION STRUCTURE OF THE C-MYC-MAX HETERODIMERIC *TITLE 2 LEUCINE ZIPPER, NMR, MINIMIZED AVERAGE STRUCTURE *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: C-MYC-MAX; *COMPND 3 CHAIN: A, B; *COMPND 4 FRAGMENT: HETERODIMERIC LEUCINE ZIPPER; *COMPND 5 SYNONYM: COILED COIL, LZ; *COMPND 6 ENGINEERED: YES; *COMPND 7 BIOLOGICAL_UNIT: HETERODIMER; *COMPND 8 OTHER_DETAILS: BOTH C-MYC (CHAIN A) AND MAX (CHAIN B) HAVE *COMPND 9 A NON-BIOLOGICAL CGG LINKER AT THE N-TERMINUS OF THE *COMPND 10 PROTEIN *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 FRAGMENT: CHAIN A; *SOURCE 4 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 5 ORGANISM_COMMON: HUMAN; *SOURCE 6 FRAGMENT: CHAIN B; *SOURCE 7 ORGANISM_SCIENTIFIC: MUS MUSCULUS; *SOURCE 8 ORGANISM_COMMON: MOUSE *KEYWDS LEUCINE ZIPPER, 2D NMR, SOLUTION STRUCTURE, H-BONDS, *KEYWDS 2 BURIED SALT BRIDGE, PROTO-ONCOGENE, NUCLEAR PROTEIN *EXPDTA NMR, MINIMIZED AVERAGE STRUCTURE *AUTHOR P.LAVIGNE,M.P.CRUMP,S.M.GAGNE,R.S.HODGES,C.M.KAY,B.D.SYKES *REVDAT 2 18-NOV-98 1A93A 2 SOURCE COMPND REMARK TITLE *REVDAT 2 2 2 DBREF SEQADV JRNL EXPDTA *REVDAT 2 3 2 KEYWDS HEADER CONECT SLTBRG *REVDAT 1 21-OCT-98 1A93 0 !a INTRaMONOMER NOES clas sequential"
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_1a93
_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 "class intra"
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_1a93
_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 "clas short"
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_framecode MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1a93
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "clas hbonds"
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_framecode MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1a93
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "clas long"
save_
save_MR_file_comment_13
_Org_constr_file_comment.Sf_framecode MR_file_comment_13
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1a93
_Org_constr_file_comment.ID 7
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 13
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;end
set message=on echo=on end
;
save_
save_MR_file_comment_11
_Org_constr_file_comment.Sf_framecode MR_file_comment_11
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID rr_1a93
_Org_constr_file_comment.ID 6
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 11
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment "set message=on echo=on end set message=on echo=off end restraints dihedral reset"
save_
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