data_19294
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 19294
_Entry.Title
;
DNA-binding domain of T. brucei telomeric protein tbTRF
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2013-06-09
_Entry.Accession_date 2013-06-09
_Entry.Last_release_date 2014-07-14
_Entry.Original_release_date 2014-07-14
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Xiaohua LI . . . 19294
2 Fei YE . . . 19294
3 Mingjie ZHANG . . . 19294
4 Yanxiang ZHAO . . . 19294
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'not applicable' 'not applicable' . 19294
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
DNA-binding . 19294
'T. brucei' . 19294
'telomeric protein' . 19294
VSG . 19294
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 19294
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'15N chemical shifts' 98 19294
'1H chemical shifts' 97 19294
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2014-07-14 2013-06-09 original author . 19294
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2m9h 'BMRB Entry Tracking System' 19294
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 19294
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'DNA-binding domain of T. brucei telomeric protein tbTRF'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Not known'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Xiaohua LI . . . 19294 1
2 Fei YE . . . 19294 1
3 Mingjie ZHANG . . . 19294 1
4 Yanxiang ZHAO . . . 19294 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 19294
_Assembly.ID 1
_Assembly.Name 'DNA-binding domain of T. brucei telomeric protein tbTRF'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
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 'DNA-binding domain of T. brucei telomeric protein tbTRF' 1 $entity A . yes native no no . . . 19294 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity
_Entity.Sf_category entity
_Entity.Sf_framecode entity
_Entity.Entry_ID 19294
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GPGSLSNFANVGVGTSSGKQ
KRYKFSASEDEAIIKGLARF
TKGQQRFQQIYYAYRSVWHP
ARTVSQLYDHWRGTLRYKVI
QQQGYRGKNSVAARSPEKAS
NMENNE
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 106
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 12054.533
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no PDB 2M9H . "Dna-binding Domain Of T. Brucei Telomeric Protein Tbtrf" . . . . . 100.00 106 100.00 100.00 6.97e-71 . . . . 19294 1
2 no EMBL CBH16451 . "hypothetical protein, conserved [Trypanosoma brucei gambiense DAL972]" . . . . . 96.23 382 100.00 100.00 1.04e-65 . . . . 19294 1
3 no GB AAX86992 . "TTAGGG binding factor [Trypanosoma brucei]" . . . . . 96.23 382 100.00 100.00 1.09e-65 . . . . 19294 1
4 no GB EAN78659 . "hypothetical protein, conserved [Trypanosoma brucei brucei TREU927]" . . . . . 96.23 382 99.02 100.00 5.46e-65 . . . . 19294 1
5 no REF XP_011778715 . "hypothetical protein, conserved [Trypanosoma brucei gambiense DAL972]" . . . . . 96.23 382 100.00 100.00 1.04e-65 . . . . 19294 1
6 no REF XP_823487 . "hypothetical protein [Trypanosoma brucei brucei TREU927]" . . . . . 96.23 382 99.02 100.00 5.46e-65 . . . . 19294 1
stop_
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 . GLY . 19294 1
2 . PRO . 19294 1
3 . GLY . 19294 1
4 . SER . 19294 1
5 . LEU . 19294 1
6 . SER . 19294 1
7 . ASN . 19294 1
8 . PHE . 19294 1
9 . ALA . 19294 1
10 . ASN . 19294 1
11 . VAL . 19294 1
12 . GLY . 19294 1
13 . VAL . 19294 1
14 . GLY . 19294 1
15 . THR . 19294 1
16 . SER . 19294 1
17 . SER . 19294 1
18 . GLY . 19294 1
19 . LYS . 19294 1
20 . GLN . 19294 1
21 . LYS . 19294 1
22 . ARG . 19294 1
23 . TYR . 19294 1
24 . LYS . 19294 1
25 . PHE . 19294 1
26 . SER . 19294 1
27 . ALA . 19294 1
28 . SER . 19294 1
29 . GLU . 19294 1
30 . ASP . 19294 1
31 . GLU . 19294 1
32 . ALA . 19294 1
33 . ILE . 19294 1
34 . ILE . 19294 1
35 . LYS . 19294 1
36 . GLY . 19294 1
37 . LEU . 19294 1
38 . ALA . 19294 1
39 . ARG . 19294 1
40 . PHE . 19294 1
41 . THR . 19294 1
42 . LYS . 19294 1
43 . GLY . 19294 1
44 . GLN . 19294 1
45 . GLN . 19294 1
46 . ARG . 19294 1
47 . PHE . 19294 1
48 . GLN . 19294 1
49 . GLN . 19294 1
50 . ILE . 19294 1
51 . TYR . 19294 1
52 . TYR . 19294 1
53 . ALA . 19294 1
54 . TYR . 19294 1
55 . ARG . 19294 1
56 . SER . 19294 1
57 . VAL . 19294 1
58 . TRP . 19294 1
59 . HIS . 19294 1
60 . PRO . 19294 1
61 . ALA . 19294 1
62 . ARG . 19294 1
63 . THR . 19294 1
64 . VAL . 19294 1
65 . SER . 19294 1
66 . GLN . 19294 1
67 . LEU . 19294 1
68 . TYR . 19294 1
69 . ASP . 19294 1
70 . HIS . 19294 1
71 . TRP . 19294 1
72 . ARG . 19294 1
73 . GLY . 19294 1
74 . THR . 19294 1
75 . LEU . 19294 1
76 . ARG . 19294 1
77 . TYR . 19294 1
78 . LYS . 19294 1
79 . VAL . 19294 1
80 . ILE . 19294 1
81 . GLN . 19294 1
82 . GLN . 19294 1
83 . GLN . 19294 1
84 . GLY . 19294 1
85 . TYR . 19294 1
86 . ARG . 19294 1
87 . GLY . 19294 1
88 . LYS . 19294 1
89 . ASN . 19294 1
90 . SER . 19294 1
91 . VAL . 19294 1
92 . ALA . 19294 1
93 . ALA . 19294 1
94 . ARG . 19294 1
95 . SER . 19294 1
96 . PRO . 19294 1
97 . GLU . 19294 1
98 . LYS . 19294 1
99 . ALA . 19294 1
100 . SER . 19294 1
101 . ASN . 19294 1
102 . MET . 19294 1
103 . GLU . 19294 1
104 . ASN . 19294 1
105 . ASN . 19294 1
106 . GLU . 19294 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
. GLY 1 1 19294 1
. PRO 2 2 19294 1
. GLY 3 3 19294 1
. SER 4 4 19294 1
. LEU 5 5 19294 1
. SER 6 6 19294 1
. ASN 7 7 19294 1
. PHE 8 8 19294 1
. ALA 9 9 19294 1
. ASN 10 10 19294 1
. VAL 11 11 19294 1
. GLY 12 12 19294 1
. VAL 13 13 19294 1
. GLY 14 14 19294 1
. THR 15 15 19294 1
. SER 16 16 19294 1
. SER 17 17 19294 1
. GLY 18 18 19294 1
. LYS 19 19 19294 1
. GLN 20 20 19294 1
. LYS 21 21 19294 1
. ARG 22 22 19294 1
. TYR 23 23 19294 1
. LYS 24 24 19294 1
. PHE 25 25 19294 1
. SER 26 26 19294 1
. ALA 27 27 19294 1
. SER 28 28 19294 1
. GLU 29 29 19294 1
. ASP 30 30 19294 1
. GLU 31 31 19294 1
. ALA 32 32 19294 1
. ILE 33 33 19294 1
. ILE 34 34 19294 1
. LYS 35 35 19294 1
. GLY 36 36 19294 1
. LEU 37 37 19294 1
. ALA 38 38 19294 1
. ARG 39 39 19294 1
. PHE 40 40 19294 1
. THR 41 41 19294 1
. LYS 42 42 19294 1
. GLY 43 43 19294 1
. GLN 44 44 19294 1
. GLN 45 45 19294 1
. ARG 46 46 19294 1
. PHE 47 47 19294 1
. GLN 48 48 19294 1
. GLN 49 49 19294 1
. ILE 50 50 19294 1
. TYR 51 51 19294 1
. TYR 52 52 19294 1
. ALA 53 53 19294 1
. TYR 54 54 19294 1
. ARG 55 55 19294 1
. SER 56 56 19294 1
. VAL 57 57 19294 1
. TRP 58 58 19294 1
. HIS 59 59 19294 1
. PRO 60 60 19294 1
. ALA 61 61 19294 1
. ARG 62 62 19294 1
. THR 63 63 19294 1
. VAL 64 64 19294 1
. SER 65 65 19294 1
. GLN 66 66 19294 1
. LEU 67 67 19294 1
. TYR 68 68 19294 1
. ASP 69 69 19294 1
. HIS 70 70 19294 1
. TRP 71 71 19294 1
. ARG 72 72 19294 1
. GLY 73 73 19294 1
. THR 74 74 19294 1
. LEU 75 75 19294 1
. ARG 76 76 19294 1
. TYR 77 77 19294 1
. LYS 78 78 19294 1
. VAL 79 79 19294 1
. ILE 80 80 19294 1
. GLN 81 81 19294 1
. GLN 82 82 19294 1
. GLN 83 83 19294 1
. GLY 84 84 19294 1
. TYR 85 85 19294 1
. ARG 86 86 19294 1
. GLY 87 87 19294 1
. LYS 88 88 19294 1
. ASN 89 89 19294 1
. SER 90 90 19294 1
. VAL 91 91 19294 1
. ALA 92 92 19294 1
. ALA 93 93 19294 1
. ARG 94 94 19294 1
. SER 95 95 19294 1
. PRO 96 96 19294 1
. GLU 97 97 19294 1
. LYS 98 98 19294 1
. ALA 99 99 19294 1
. SER 100 100 19294 1
. ASN 101 101 19294 1
. MET 102 102 19294 1
. GLU 103 103 19294 1
. ASN 104 104 19294 1
. ASN 105 105 19294 1
. GLU 106 106 19294 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 19294
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity . 9615 organism . 'Canis familiaris' dog . . Eukaryota Metazoa Canis familiaris . . . . . . . . . . . . . . . . . . . . . 19294 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 19294
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETM . . . . . . 19294 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 19294
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'DNA-binding domain of T. brucei telomeric protein tbTRF' 'natural abundance' . . 1 $entity . . . . . mM . . . . 19294 1
2 'potassium phosphate' 'natural abundance' . . . . . . 100 . . mM . . . . 19294 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 19294
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.1 . M 19294 1
pH 5.6 . pH 19294 1
pressure 1 . atm 19294 1
temperature 303 . K 19294 1
stop_
save_
############################
# Computer software used #
############################
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 19294
_Software.ID 1
_Software.Name CNS
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19294 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 19294 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 19294
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 19294
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian INOVA . 500 . . . 19294 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 19294
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19294 1
2 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19294 1
3 '2D 1H-1H NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19294 1
4 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19294 1
5 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19294 1
6 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19294 1
stop_
save_
save_NMR_spectrometer_expt
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spectrometer_expt
_NMR_spec_expt.Entry_ID 19294
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name .
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $spectrometer_1
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID 1
_NMR_spec_expt.Software_label $CNS
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 19294
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19294 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19294 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19294 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 19294
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 19294 1
2 '3D 1H-15N NOESY' . . . 19294 1
4 '3D HNCACB' . . . 19294 1
5 '3D 1H-13C NOESY' . . . 19294 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY N N 15 110.7530 . . . . . . A 1 GLY N . 19294 1
2 . 1 1 3 3 GLY H H 1 8.5850 . . . . . . . 3 GLY HN . 19294 1
3 . 1 1 3 3 GLY N N 15 109.8510 . . . . . . A 3 GLY N . 19294 1
4 . 1 1 4 4 SER H H 1 8.1290 . . . . . . . 4 SER HN . 19294 1
5 . 1 1 4 4 SER N N 15 115.5420 . . . . . . A 4 SER N . 19294 1
6 . 1 1 5 5 LEU H H 1 8.3150 . . . . . . . 5 LEU HN . 19294 1
7 . 1 1 5 5 LEU N N 15 123.9290 . . . . . . A 5 LEU N . 19294 1
8 . 1 1 6 6 SER H H 1 8.1910 . . . . . . . 6 SER HN . 19294 1
9 . 1 1 6 6 SER N N 15 115.9120 . . . . . . A 6 SER N . 19294 1
10 . 1 1 7 7 ASN H H 1 8.4000 . . . . . . . 7 ASN HN . 19294 1
11 . 1 1 7 7 ASN N N 15 120.4070 . . . . . . A 7 ASN N . 19294 1
12 . 1 1 8 8 PHE H H 1 8.0830 . . . . . . . 8 PHE HN . 19294 1
13 . 1 1 8 8 PHE N N 15 120.0590 . . . . . . A 8 PHE N . 19294 1
14 . 1 1 9 9 ALA H H 1 8.0720 . . . . . . . 9 ALA HN . 19294 1
15 . 1 1 9 9 ALA N N 15 124.3250 . . . . . . A 9 ALA N . 19294 1
16 . 1 1 10 10 ASN H H 1 8.2370 . . . . . . . 10 ASN HN . 19294 1
17 . 1 1 10 10 ASN N N 15 117.5590 . . . . . . A 10 ASN N . 19294 1
18 . 1 1 11 11 VAL H H 1 7.9490 . . . . . . . 11 VAL HN . 19294 1
19 . 1 1 11 11 VAL N N 15 119.3910 . . . . . . A 11 VAL N . 19294 1
20 . 1 1 12 12 GLY H H 1 8.4260 . . . . . . . 12 GLY HN . 19294 1
21 . 1 1 12 12 GLY N N 15 112.1240 . . . . . . A 12 GLY N . 19294 1
22 . 1 1 13 13 VAL H H 1 7.9800 . . . . . . . 13 VAL HN . 19294 1
23 . 1 1 13 13 VAL N N 15 118.9780 . . . . . . A 13 VAL N . 19294 1
24 . 1 1 14 14 GLY H H 1 8.5100 . . . . . . . 14 GLY HN . 19294 1
25 . 1 1 14 14 GLY N N 15 112.2590 . . . . . . A 14 GLY N . 19294 1
26 . 1 1 15 15 THR H H 1 8.0580 . . . . . . . 15 THR HN . 19294 1
27 . 1 1 15 15 THR N N 15 113.2940 . . . . . . A 15 THR N . 19294 1
28 . 1 1 16 16 SER H H 1 8.4090 . . . . . . . 16 SER HN . 19294 1
29 . 1 1 16 16 SER N N 15 118.0150 . . . . . . A 16 SER N . 19294 1
30 . 1 1 17 17 SER H H 1 8.3360 . . . . . . . 17 SER HN . 19294 1
31 . 1 1 17 17 SER N N 15 117.6420 . . . . . . A 17 SER N . 19294 1
32 . 1 1 18 18 GLY H H 1 8.3690 . . . . . . . 18 GLY HN . 19294 1
33 . 1 1 18 18 GLY N N 15 110.6610 . . . . . . A 18 GLY N . 19294 1
34 . 1 1 19 19 LYS H H 1 8.1050 . . . . . . . 19 LYS HN . 19294 1
35 . 1 1 19 19 LYS N N 15 120.5100 . . . . . . . 19 LYS N . 19294 1
36 . 1 1 20 20 GLN H H 1 8.2550 . . . . . . . 20 GLN HN . 19294 1
37 . 1 1 20 20 GLN N N 15 120.8150 . . . . . . A 20 GLN N . 19294 1
38 . 1 1 21 21 LYS H H 1 8.2350 . . . . . . . 21 LYS HN . 19294 1
39 . 1 1 21 21 LYS N N 15 123.1900 . . . . . . . 21 LYS N . 19294 1
40 . 1 1 22 22 ARG H H 1 8.0050 . . . . . . . 22 ARG HN . 19294 1
41 . 1 1 22 22 ARG N N 15 122.0380 . . . . . . . 22 ARG N . 19294 1
42 . 1 1 23 23 TYR H H 1 8.3320 . . . . . . . 23 TYR HN . 19294 1
43 . 1 1 23 23 TYR N N 15 122.2490 . . . . . . A 23 TYR N . 19294 1
44 . 1 1 24 24 LYS H H 1 8.5910 . . . . . . . 24 LYS HN . 19294 1
45 . 1 1 24 24 LYS N N 15 125.906 . . . . . . . 24 LYS N . 19294 1
46 . 1 1 25 25 PHE H H 1 8.8750 . . . . . . . 25 PHE HN . 19294 1
47 . 1 1 25 25 PHE N N 15 124.526 . . . . . . A 25 PHE N . 19294 1
48 . 1 1 26 26 SER H H 1 9.5360 . . . . . . . 26 SER HN . 19294 1
49 . 1 1 26 26 SER N N 15 121.585 . . . . . . A 26 SER N . 19294 1
50 . 1 1 27 27 ALA H H 1 9.0420 . . . . . . . 27 ALA HN . 19294 1
51 . 1 1 27 27 ALA N N 15 124.035 . . . . . . A 27 ALA N . 19294 1
52 . 1 1 28 28 SER H H 1 8.3230 . . . . . . . 28 SER HN . 19294 1
53 . 1 1 28 28 SER N N 15 112.803 . . . . . . A 28 SER N . 19294 1
54 . 1 1 29 29 GLU H H 1 7.8600 . . . . . . . 29 GLU HN . 19294 1
55 . 1 1 29 29 GLU N N 15 123.527 . . . . . . A 29 GLU N . 19294 1
56 . 1 1 30 30 ASP H H 1 8.2620 . . . . . . . 30 ASP HN . 19294 1
57 . 1 1 30 30 ASP N N 15 120.1940 . . . . . . A 30 ASP N . 19294 1
58 . 1 1 31 31 GLU H H 1 8.1790 . . . . . . . 31 GLU HN . 19294 1
59 . 1 1 31 31 GLU N N 15 117.806 . . . . . . A 31 GLU N . 19294 1
60 . 1 1 32 32 ALA H H 1 7.6390 . . . . . . . 32 ALA HN . 19294 1
61 . 1 1 32 32 ALA N N 15 121.610 . . . . . . A 32 ALA N . 19294 1
62 . 1 1 33 33 ILE H H 1 8.1440 . . . . . . . 33 ILE HN . 19294 1
63 . 1 1 33 33 ILE N N 15 117.076 . . . . . . A 33 ILE N . 19294 1
64 . 1 1 34 34 ILE H H 1 7.925 . . . . . . . 34 ILE HN . 19294 1
65 . 1 1 34 34 ILE N N 15 118.607 . . . . . . A 34 ILE N . 19294 1
66 . 1 1 35 35 LYS H H 1 8.578 . . . . . . . 35 LYS HN . 19294 1
67 . 1 1 35 35 LYS N N 15 120.394 . . . . . . . 35 LYS N . 19294 1
68 . 1 1 36 36 GLY H H 1 8.8660 . . . . . . . 36 GLY HN . 19294 1
69 . 1 1 36 36 GLY N N 15 110.322 . . . . . . A 36 GLY N . 19294 1
70 . 1 1 37 37 LEU H H 1 8.6100 . . . . . . . 37 LEU HN . 19294 1
71 . 1 1 37 37 LEU N N 15 123.178 . . . . . . A 37 LEU N . 19294 1
72 . 1 1 38 38 ALA H H 1 7.0160 . . . . . . . 38 ALA HN . 19294 1
73 . 1 1 38 38 ALA N N 15 117.618 . . . . . . A 38 ALA N . 19294 1
74 . 1 1 39 39 ARG H H 1 7.2740 . . . . . . . 39 ARG HN . 19294 1
75 . 1 1 39 39 ARG N N 15 118.101 . . . . . . . 39 ARG N . 19294 1
76 . 1 1 40 40 PHE H H 1 8.3170 . . . . . . . 40 PHE HN . 19294 1
77 . 1 1 40 40 PHE N N 15 120.820 . . . . . . A 40 PHE N . 19294 1
78 . 1 1 41 41 THR H H 1 7.9670 . . . . . . . 41 THR HN . 19294 1
79 . 1 1 41 41 THR N N 15 111.784 . . . . . . A 41 THR N . 19294 1
80 . 1 1 42 42 LYS H H 1 7.909 . . . . . . . 42 LYS HN . 19294 1
81 . 1 1 42 42 LYS N N 15 119.745 . . . . . . . 42 LYS N . 19294 1
82 . 1 1 43 43 GLY H H 1 8.413 . . . . . . . 43 GLY HN . 19294 1
83 . 1 1 43 43 GLY N N 15 109.836 . . . . . . A 43 GLY N . 19294 1
84 . 1 1 44 44 GLN H H 1 8.7010 . . . . . . . 44 GLN HN . 19294 1
85 . 1 1 44 44 GLN N N 15 119.3850 . . . . . . A 44 GLN N . 19294 1
86 . 1 1 45 45 GLN H H 1 8.7010 . . . . . . . 45 GLN HN . 19294 1
87 . 1 1 45 45 GLN N N 15 117.9450 . . . . . . A 45 GLN N . 19294 1
88 . 1 1 46 46 ARG H H 1 7.5080 . . . . . . . 46 ARG HN . 19294 1
89 . 1 1 46 46 ARG N N 15 120.0310 . . . . . . . 46 ARG N . 19294 1
90 . 1 1 47 47 PHE H H 1 8.1920 . . . . . . . 47 PHE HN . 19294 1
91 . 1 1 47 47 PHE N N 15 114.9420 . . . . . . A 47 PHE N . 19294 1
92 . 1 1 48 48 GLN H H 1 7.9520 . . . . . . . 48 GLN HN . 19294 1
93 . 1 1 48 48 GLN N N 15 122.0790 . . . . . . A 48 GLN N . 19294 1
94 . 1 1 49 49 GLN H H 1 7.8730 . . . . . . . 49 GLN HN . 19294 1
95 . 1 1 49 49 GLN N N 15 117.5120 . . . . . . A 49 GLN N . 19294 1
96 . 1 1 50 50 ILE H H 1 8.0000 . . . . . . . 50 ILE HN . 19294 1
97 . 1 1 50 50 ILE N N 15 119.8700 . . . . . . A 50 ILE N . 19294 1
98 . 1 1 51 51 TYR H H 1 8.3490 . . . . . . . 51 TYR HN . 19294 1
99 . 1 1 51 51 TYR N N 15 119.3290 . . . . . . A 51 TYR N . 19294 1
100 . 1 1 52 52 TYR H H 1 8.0420 . . . . . . . 52 TYR HN . 19294 1
101 . 1 1 52 52 TYR N N 15 114.6380 . . . . . . A 52 TYR N . 19294 1
102 . 1 1 53 53 ALA H H 1 8.3320 . . . . . . . 53 ALA HN . 19294 1
103 . 1 1 53 53 ALA N N 15 122.2390 . . . . . . A 53 ALA N . 19294 1
104 . 1 1 54 54 TYR H H 1 7.3580 . . . . . . . 54 TYR HN . 19294 1
105 . 1 1 54 54 TYR N N 15 115.4350 . . . . . . A 54 TYR N . 19294 1
106 . 1 1 55 55 ARG H H 1 6.6250 . . . . . . . 55 ARG HN . 19294 1
107 . 1 1 55 55 ARG N N 15 118.1540 . . . . . . . 55 ARG N . 19294 1
108 . 1 1 56 56 SER H H 1 8.1490 . . . . . . . 56 SER HN . 19294 1
109 . 1 1 56 56 SER N N 15 110.8070 . . . . . . A 56 SER N . 19294 1
110 . 1 1 57 57 VAL H H 1 7.7900 . . . . . . . 57 VAL HN . 19294 1
111 . 1 1 57 57 VAL N N 15 120.6480 . . . . . . A 57 VAL N . 19294 1
112 . 1 1 58 58 TRP H H 1 5.9020 . . . . . . . 58 TRP HN . 19294 1
113 . 1 1 58 58 TRP N N 15 114.0040 . . . . . . A 58 TRP N . 19294 1
114 . 1 1 59 59 HIS H H 1 8.6580 . . . . . . . 59 HIS HN . 19294 1
115 . 1 1 59 59 HIS N N 15 125.0340 . . . . . . . 59 HIS N . 19294 1
116 . 1 1 61 61 ALA H H 1 8.2200 . . . . . . . 61 ALA HN . 19294 1
117 . 1 1 61 61 ALA N N 15 123.7400 . . . . . . A 61 ALA N . 19294 1
118 . 1 1 62 62 ARG H H 1 8.2210 . . . . . . . 62 ARG HN . 19294 1
119 . 1 1 62 62 ARG N N 15 120.1180 . . . . . . . 62 ARG N . 19294 1
120 . 1 1 63 63 THR H H 1 6.8600 . . . . . . . 63 THR HN . 19294 1
121 . 1 1 63 63 THR N N 15 114.0280 . . . . . . A 63 THR N . 19294 1
122 . 1 1 64 64 VAL H H 1 8.1040 . . . . . . . 64 VAL HN . 19294 1
123 . 1 1 64 64 VAL N N 15 120.4980 . . . . . . A 64 VAL N . 19294 1
124 . 1 1 65 65 SER H H 1 8.2100 . . . . . . . 65 SER HN . 19294 1
125 . 1 1 65 65 SER N N 15 113.8180 . . . . . . A 65 SER N . 19294 1
126 . 1 1 66 66 GLN H H 1 7.4710 . . . . . . . 66 GLN HN . 19294 1
127 . 1 1 66 66 GLN N N 15 119.3040 . . . . . . A 66 GLN N . 19294 1
128 . 1 1 67 67 LEU H H 1 7.7240 . . . . . . . 67 LEU HN . 19294 1
129 . 1 1 67 67 LEU N N 15 118.9870 . . . . . . A 67 LEU N . 19294 1
130 . 1 1 68 68 TYR H H 1 7.5600 . . . . . . . 68 TYR HN . 19294 1
131 . 1 1 68 68 TYR N N 15 118.9180 . . . . . . A 68 TYR N . 19294 1
132 . 1 1 69 69 ASP H H 1 8.6110 . . . . . . . 69 ASP HN . 19294 1
133 . 1 1 69 69 ASP N N 15 119.0210 . . . . . . A 69 ASP N . 19294 1
134 . 1 1 70 70 HIS H H 1 8.2170 . . . . . . . 70 HIS HN . 19294 1
135 . 1 1 70 70 HIS N N 15 119.5660 . . . . . . . 70 HIS N . 19294 1
136 . 1 1 71 71 TRP H H 1 8.5100 . . . . . . . 71 TRP HN . 19294 1
137 . 1 1 71 71 TRP N N 15 122.0740 . . . . . . A 71 TRP N . 19294 1
138 . 1 1 73 73 GLY H H 1 7.9770 . . . . . . . 73 GLY HN . 19294 1
139 . 1 1 73 73 GLY N N 15 102.1710 . . . . . . A 73 GLY N . 19294 1
140 . 1 1 74 74 THR H H 1 7.1900 . . . . . . . 74 THR HN . 19294 1
141 . 1 1 74 74 THR N N 15 112.3060 . . . . . . A 74 THR N . 19294 1
142 . 1 1 75 75 LEU H H 1 7.7350 . . . . . . . 75 LEU HN . 19294 1
143 . 1 1 75 75 LEU N N 15 122.3190 . . . . . . A 75 LEU N . 19294 1
144 . 1 1 76 76 ARG H H 1 8.1880 . . . . . . . 76 ARG HN . 19294 1
145 . 1 1 76 76 ARG N N 15 116.9560 . . . . . . . 76 ARG N . 19294 1
146 . 1 1 80 80 ILE H H 1 7.8620 . . . . . . . 80 ILE HN . 19294 1
147 . 1 1 80 80 ILE N N 15 122.0690 . . . . . . A 80 ILE N . 19294 1
148 . 1 1 81 81 GLN H H 1 8.1610 . . . . . . . 81 GLN HN . 19294 1
149 . 1 1 81 81 GLN N N 15 122.5360 . . . . . . A 81 GLN N . 19294 1
150 . 1 1 83 83 GLN H H 1 8.3420 . . . . . . . 83 GLN HN . 19294 1
151 . 1 1 83 83 GLN N N 15 120.7320 . . . . . . A 83 GLN N . 19294 1
152 . 1 1 84 84 GLY H H 1 8.3100 . . . . . . . 84 GLY HN . 19294 1
153 . 1 1 84 84 GLY N N 15 109.3580 . . . . . . A 84 GLY N . 19294 1
154 . 1 1 85 85 TYR H H 1 8.0260 . . . . . . . 85 TYR HN . 19294 1
155 . 1 1 85 85 TYR N N 15 120.2750 . . . . . . A 85 TYR N . 19294 1
156 . 1 1 86 86 ARG H H 1 8.2170 . . . . . . . 86 ARG HN . 19294 1
157 . 1 1 86 86 ARG N N 15 123.5130 . . . . . . . 86 ARG N . 19294 1
158 . 1 1 87 87 GLY H H 1 7.7600 . . . . . . . 87 GLY HN . 19294 1
159 . 1 1 87 87 GLY N N 15 108.9520 . . . . . . A 87 GLY N . 19294 1
160 . 1 1 88 88 LYS H H 1 8.1930 . . . . . . . 88 LYS HN . 19294 1
161 . 1 1 88 88 LYS N N 15 120.7040 . . . . . . . 88 LYS N . 19294 1
162 . 1 1 89 89 ASN H H 1 8.4690 . . . . . . . 89 ASN HN . 19294 1
163 . 1 1 89 89 ASN N N 15 119.2950 . . . . . . A 89 ASN N . 19294 1
164 . 1 1 90 90 SER H H 1 8.1640 . . . . . . . 90 SER HN . 19294 1
165 . 1 1 90 90 SER N N 15 116.1720 . . . . . . A 90 SER N . 19294 1
166 . 1 1 91 91 VAL H H 1 8.0760 . . . . . . . 91 VAL HN . 19294 1
167 . 1 1 91 91 VAL N N 15 121.4040 . . . . . . A 91 VAL N . 19294 1
168 . 1 1 92 92 ALA H H 1 8.2240 . . . . . . . 92 ALA HN . 19294 1
169 . 1 1 92 92 ALA N N 15 127.0630 . . . . . . A 92 ALA N . 19294 1
170 . 1 1 93 93 ALA H H 1 8.1280 . . . . . . . 93 ALA HN . 19294 1
171 . 1 1 93 93 ALA N N 15 123.1460 . . . . . . A 93 ALA N . 19294 1
172 . 1 1 94 94 ARG H H 1 8.1780 . . . . . . . 94 ARG HN . 19294 1
173 . 1 1 94 94 ARG N N 15 120.0400 . . . . . . . 94 ARG N . 19294 1
174 . 1 1 95 95 SER H H 1 8.3250 . . . . . . . 95 SER HN . 19294 1
175 . 1 1 95 95 SER N N 15 118.5240 . . . . . . A 95 SER N . 19294 1
176 . 1 1 97 97 GLU H H 1 8.4810 . . . . . . . 97 GLU HN . 19294 1
177 . 1 1 97 97 GLU N N 15 120.8280 . . . . . . A 97 GLU N . 19294 1
178 . 1 1 98 98 LYS H H 1 8.2110 . . . . . . . 98 LYS HN . 19294 1
179 . 1 1 98 98 LYS N N 15 122.0840 . . . . . . . 98 LYS N . 19294 1
180 . 1 1 99 99 ALA H H 1 8.2800 . . . . . . . 99 ALA HN . 19294 1
181 . 1 1 99 99 ALA N N 15 125.3180 . . . . . . A 99 ALA N . 19294 1
182 . 1 1 100 100 SER H H 1 8.2620 . . . . . . . 100 SER HN . 19294 1
183 . 1 1 100 100 SER N N 15 114.8430 . . . . . . A 100 SER N . 19294 1
184 . 1 1 101 101 ASN H H 1 8.2600 . . . . . . . 101 ASN HN . 19294 1
185 . 1 1 101 101 ASN N N 15 120.1690 . . . . . . A 101 ASN N . 19294 1
186 . 1 1 102 102 MET H H 1 8.2620 . . . . . . . 102 MET HN . 19294 1
187 . 1 1 102 102 MET N N 15 120.3090 . . . . . . A 102 MET N . 19294 1
188 . 1 1 103 103 GLU H H 1 8.3450 . . . . . . . 103 GLU HN . 19294 1
189 . 1 1 103 103 GLU N N 15 121.1990 . . . . . . A 103 GLU N . 19294 1
190 . 1 1 104 104 ASN H H 1 8.3850 . . . . . . . 104 ASN HN . 19294 1
191 . 1 1 104 104 ASN N N 15 119.1390 . . . . . . A 104 ASN N . 19294 1
192 . 1 1 105 105 ASN H H 1 8.4000 . . . . . . . 105 ASN HN . 19294 1
193 . 1 1 105 105 ASN N N 15 119.6400 . . . . . . A 105 ASN N . 19294 1
194 . 1 1 106 106 GLU H H 1 7.9260 . . . . . . . 106 GLU HN . 19294 1
195 . 1 1 106 106 GLU N N 15 125.7410 . . . . . . A 106 GLU N . 19294 1
stop_
save_