data_51889
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 51889
_Entry.Title
;
Larimichthys crocea IFNd
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2023-03-29
_Entry.Accession_date 2023-03-29
_Entry.Last_release_date 2023-03-29
_Entry.Original_release_date 2023-03-29
_Entry.Origination author
_Entry.Format_name .
_Entry.NMR_STAR_version 3.2.14.0
_Entry.NMR_STAR_dict_location .
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype solution
_Entry.Source_data_format .
_Entry.Source_data_format_version .
_Entry.Generated_software_name .
_Entry.Generated_software_version .
_Entry.Generated_software_ID 1
_Entry.Generated_software_label $software_1
_Entry.Generated_date .
_Entry.DOI .
_Entry.UUID .
_Entry.Related_coordinate_file_name .
_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.ORCID
_Entry_author.Entry_ID
1 Jingjie Chen . . . . 51889
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
spectral_peak_list 1 51889
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 . . 2024-04-03 . original BMRB . 51889
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 51889
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID .
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
1H and 15N Assigned Chemical Shifts for Larimichthys crocea interferon d
;
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'J. Immunol.'
_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.ORCID
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Jingjie Chen . . . . 51889 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 51889
_Assembly.ID 1
_Assembly.Name interferon
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states no
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange no
_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 interferon 1 $entity_1 . . yes native no no . . . 51889 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 51889
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity_1
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MLSRILFVCLSLSLYSAGSS
LSCRWVDHKFRQHSETSLDL
LNTMANNSTNSTEDAQVEDT
VAFPNDLYSQASKASAEDKL
HFTVQVLEEAAALFEEDHSN
ASWEENTVENFVNVVNQQAD
GLRSCTGSHGHKKKNKKLHM
YFKRLSSHVLKKMSHSAEAW
ELIRKEIRTHLMRADQLVSS
LRNTN
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 185
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all disulfide bound'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
antiviral 51889 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 . MET . 51889 1
2 . LEU . 51889 1
3 . SER . 51889 1
4 . ARG . 51889 1
5 . ILE . 51889 1
6 . LEU . 51889 1
7 . PHE . 51889 1
8 . VAL . 51889 1
9 . CYS . 51889 1
10 . LEU . 51889 1
11 . SER . 51889 1
12 . LEU . 51889 1
13 . SER . 51889 1
14 . LEU . 51889 1
15 . TYR . 51889 1
16 . SER . 51889 1
17 . ALA . 51889 1
18 . GLY . 51889 1
19 . SER . 51889 1
20 . SER . 51889 1
21 . LEU . 51889 1
22 . SER . 51889 1
23 . CYS . 51889 1
24 . ARG . 51889 1
25 . TRP . 51889 1
26 . VAL . 51889 1
27 . ASP . 51889 1
28 . HIS . 51889 1
29 . LYS . 51889 1
30 . PHE . 51889 1
31 . ARG . 51889 1
32 . GLN . 51889 1
33 . HIS . 51889 1
34 . SER . 51889 1
35 . GLU . 51889 1
36 . THR . 51889 1
37 . SER . 51889 1
38 . LEU . 51889 1
39 . ASP . 51889 1
40 . LEU . 51889 1
41 . LEU . 51889 1
42 . ASN . 51889 1
43 . THR . 51889 1
44 . MET . 51889 1
45 . ALA . 51889 1
46 . ASN . 51889 1
47 . ASN . 51889 1
48 . SER . 51889 1
49 . THR . 51889 1
50 . ASN . 51889 1
51 . SER . 51889 1
52 . THR . 51889 1
53 . GLU . 51889 1
54 . ASP . 51889 1
55 . ALA . 51889 1
56 . GLN . 51889 1
57 . VAL . 51889 1
58 . GLU . 51889 1
59 . ASP . 51889 1
60 . THR . 51889 1
61 . VAL . 51889 1
62 . ALA . 51889 1
63 . PHE . 51889 1
64 . PRO . 51889 1
65 . ASN . 51889 1
66 . ASP . 51889 1
67 . LEU . 51889 1
68 . TYR . 51889 1
69 . SER . 51889 1
70 . GLN . 51889 1
71 . ALA . 51889 1
72 . SER . 51889 1
73 . LYS . 51889 1
74 . ALA . 51889 1
75 . SER . 51889 1
76 . ALA . 51889 1
77 . GLU . 51889 1
78 . ASP . 51889 1
79 . LYS . 51889 1
80 . LEU . 51889 1
81 . HIS . 51889 1
82 . PHE . 51889 1
83 . THR . 51889 1
84 . VAL . 51889 1
85 . GLN . 51889 1
86 . VAL . 51889 1
87 . LEU . 51889 1
88 . GLU . 51889 1
89 . GLU . 51889 1
90 . ALA . 51889 1
91 . ALA . 51889 1
92 . ALA . 51889 1
93 . LEU . 51889 1
94 . PHE . 51889 1
95 . GLU . 51889 1
96 . GLU . 51889 1
97 . ASP . 51889 1
98 . HIS . 51889 1
99 . SER . 51889 1
100 . ASN . 51889 1
101 . ALA . 51889 1
102 . SER . 51889 1
103 . TRP . 51889 1
104 . GLU . 51889 1
105 . GLU . 51889 1
106 . ASN . 51889 1
107 . THR . 51889 1
108 . VAL . 51889 1
109 . GLU . 51889 1
110 . ASN . 51889 1
111 . PHE . 51889 1
112 . VAL . 51889 1
113 . ASN . 51889 1
114 . VAL . 51889 1
115 . VAL . 51889 1
116 . ASN . 51889 1
117 . GLN . 51889 1
118 . GLN . 51889 1
119 . ALA . 51889 1
120 . ASP . 51889 1
121 . GLY . 51889 1
122 . LEU . 51889 1
123 . ARG . 51889 1
124 . SER . 51889 1
125 . CYS . 51889 1
126 . THR . 51889 1
127 . GLY . 51889 1
128 . SER . 51889 1
129 . HIS . 51889 1
130 . GLY . 51889 1
131 . HIS . 51889 1
132 . LYS . 51889 1
133 . LYS . 51889 1
134 . LYS . 51889 1
135 . ASN . 51889 1
136 . LYS . 51889 1
137 . LYS . 51889 1
138 . LEU . 51889 1
139 . HIS . 51889 1
140 . MET . 51889 1
141 . TYR . 51889 1
142 . PHE . 51889 1
143 . LYS . 51889 1
144 . ARG . 51889 1
145 . LEU . 51889 1
146 . SER . 51889 1
147 . SER . 51889 1
148 . HIS . 51889 1
149 . VAL . 51889 1
150 . LEU . 51889 1
151 . LYS . 51889 1
152 . LYS . 51889 1
153 . MET . 51889 1
154 . SER . 51889 1
155 . HIS . 51889 1
156 . SER . 51889 1
157 . ALA . 51889 1
158 . GLU . 51889 1
159 . ALA . 51889 1
160 . TRP . 51889 1
161 . GLU . 51889 1
162 . LEU . 51889 1
163 . ILE . 51889 1
164 . ARG . 51889 1
165 . LYS . 51889 1
166 . GLU . 51889 1
167 . ILE . 51889 1
168 . ARG . 51889 1
169 . THR . 51889 1
170 . HIS . 51889 1
171 . LEU . 51889 1
172 . MET . 51889 1
173 . ARG . 51889 1
174 . ALA . 51889 1
175 . ASP . 51889 1
176 . GLN . 51889 1
177 . LEU . 51889 1
178 . VAL . 51889 1
179 . SER . 51889 1
180 . SER . 51889 1
181 . LEU . 51889 1
182 . ARG . 51889 1
183 . ASN . 51889 1
184 . THR . 51889 1
185 . ASN . 51889 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
. MET 1 1 51889 1
. LEU 2 2 51889 1
. SER 3 3 51889 1
. ARG 4 4 51889 1
. ILE 5 5 51889 1
. LEU 6 6 51889 1
. PHE 7 7 51889 1
. VAL 8 8 51889 1
. CYS 9 9 51889 1
. LEU 10 10 51889 1
. SER 11 11 51889 1
. LEU 12 12 51889 1
. SER 13 13 51889 1
. LEU 14 14 51889 1
. TYR 15 15 51889 1
. SER 16 16 51889 1
. ALA 17 17 51889 1
. GLY 18 18 51889 1
. SER 19 19 51889 1
. SER 20 20 51889 1
. LEU 21 21 51889 1
. SER 22 22 51889 1
. CYS 23 23 51889 1
. ARG 24 24 51889 1
. TRP 25 25 51889 1
. VAL 26 26 51889 1
. ASP 27 27 51889 1
. HIS 28 28 51889 1
. LYS 29 29 51889 1
. PHE 30 30 51889 1
. ARG 31 31 51889 1
. GLN 32 32 51889 1
. HIS 33 33 51889 1
. SER 34 34 51889 1
. GLU 35 35 51889 1
. THR 36 36 51889 1
. SER 37 37 51889 1
. LEU 38 38 51889 1
. ASP 39 39 51889 1
. LEU 40 40 51889 1
. LEU 41 41 51889 1
. ASN 42 42 51889 1
. THR 43 43 51889 1
. MET 44 44 51889 1
. ALA 45 45 51889 1
. ASN 46 46 51889 1
. ASN 47 47 51889 1
. SER 48 48 51889 1
. THR 49 49 51889 1
. ASN 50 50 51889 1
. SER 51 51 51889 1
. THR 52 52 51889 1
. GLU 53 53 51889 1
. ASP 54 54 51889 1
. ALA 55 55 51889 1
. GLN 56 56 51889 1
. VAL 57 57 51889 1
. GLU 58 58 51889 1
. ASP 59 59 51889 1
. THR 60 60 51889 1
. VAL 61 61 51889 1
. ALA 62 62 51889 1
. PHE 63 63 51889 1
. PRO 64 64 51889 1
. ASN 65 65 51889 1
. ASP 66 66 51889 1
. LEU 67 67 51889 1
. TYR 68 68 51889 1
. SER 69 69 51889 1
. GLN 70 70 51889 1
. ALA 71 71 51889 1
. SER 72 72 51889 1
. LYS 73 73 51889 1
. ALA 74 74 51889 1
. SER 75 75 51889 1
. ALA 76 76 51889 1
. GLU 77 77 51889 1
. ASP 78 78 51889 1
. LYS 79 79 51889 1
. LEU 80 80 51889 1
. HIS 81 81 51889 1
. PHE 82 82 51889 1
. THR 83 83 51889 1
. VAL 84 84 51889 1
. GLN 85 85 51889 1
. VAL 86 86 51889 1
. LEU 87 87 51889 1
. GLU 88 88 51889 1
. GLU 89 89 51889 1
. ALA 90 90 51889 1
. ALA 91 91 51889 1
. ALA 92 92 51889 1
. LEU 93 93 51889 1
. PHE 94 94 51889 1
. GLU 95 95 51889 1
. GLU 96 96 51889 1
. ASP 97 97 51889 1
. HIS 98 98 51889 1
. SER 99 99 51889 1
. ASN 100 100 51889 1
. ALA 101 101 51889 1
. SER 102 102 51889 1
. TRP 103 103 51889 1
. GLU 104 104 51889 1
. GLU 105 105 51889 1
. ASN 106 106 51889 1
. THR 107 107 51889 1
. VAL 108 108 51889 1
. GLU 109 109 51889 1
. ASN 110 110 51889 1
. PHE 111 111 51889 1
. VAL 112 112 51889 1
. ASN 113 113 51889 1
. VAL 114 114 51889 1
. VAL 115 115 51889 1
. ASN 116 116 51889 1
. GLN 117 117 51889 1
. GLN 118 118 51889 1
. ALA 119 119 51889 1
. ASP 120 120 51889 1
. GLY 121 121 51889 1
. LEU 122 122 51889 1
. ARG 123 123 51889 1
. SER 124 124 51889 1
. CYS 125 125 51889 1
. THR 126 126 51889 1
. GLY 127 127 51889 1
. SER 128 128 51889 1
. HIS 129 129 51889 1
. GLY 130 130 51889 1
. HIS 131 131 51889 1
. LYS 132 132 51889 1
. LYS 133 133 51889 1
. LYS 134 134 51889 1
. ASN 135 135 51889 1
. LYS 136 136 51889 1
. LYS 137 137 51889 1
. LEU 138 138 51889 1
. HIS 139 139 51889 1
. MET 140 140 51889 1
. TYR 141 141 51889 1
. PHE 142 142 51889 1
. LYS 143 143 51889 1
. ARG 144 144 51889 1
. LEU 145 145 51889 1
. SER 146 146 51889 1
. SER 147 147 51889 1
. HIS 148 148 51889 1
. VAL 149 149 51889 1
. LEU 150 150 51889 1
. LYS 151 151 51889 1
. LYS 152 152 51889 1
. MET 153 153 51889 1
. SER 154 154 51889 1
. HIS 155 155 51889 1
. SER 156 156 51889 1
. ALA 157 157 51889 1
. GLU 158 158 51889 1
. ALA 159 159 51889 1
. TRP 160 160 51889 1
. GLU 161 161 51889 1
. LEU 162 162 51889 1
. ILE 163 163 51889 1
. ARG 164 164 51889 1
. LYS 165 165 51889 1
. GLU 166 166 51889 1
. ILE 167 167 51889 1
. ARG 168 168 51889 1
. THR 169 169 51889 1
. HIS 170 170 51889 1
. LEU 171 171 51889 1
. MET 172 172 51889 1
. ARG 173 173 51889 1
. ALA 174 174 51889 1
. ASP 175 175 51889 1
. GLN 176 176 51889 1
. LEU 177 177 51889 1
. VAL 178 178 51889 1
. SER 179 179 51889 1
. SER 180 180 51889 1
. LEU 181 181 51889 1
. ARG 182 182 51889 1
. ASN 183 183 51889 1
. THR 184 184 51889 1
. ASN 185 185 51889 1
stop_
save_
####################
# Natural source #
####################
save_natural_source_1
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source_1
_Entity_natural_src_list.Entry_ID 51889
_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.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.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Details
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity_1 . 215358 organism . 'Larimichthys crocea' 'large yellow croaker' . . Eukaryota Metazoa Larimichthys crocea . . . . . . . . . . . . . 51889 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source_1
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source_1
_Entity_experimental_src_list.Entry_ID 51889
_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_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.Details
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET28a . . . 51889 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 51889
_Sample.ID 1
_Sample.Name LcIFNd
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '150 mM NaCl, 50 mM Tris-HCl'
_Sample.Aggregate_sample_number 1
_Sample.Solvent_system '50% H2O/50% 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 interferon '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 500 . . mM . . . . 51889 1
2 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 51889 1
3 Tris-HCl 'natural abundance' . . . . . . 50 . . mM . . . . 51889 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 51889
_Sample_condition_list.ID 1
_Sample_condition_list.Name 'Room temperature'
_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
pH 7.5 . pH 51889 1
temperature 298.15 . K 51889 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 51889
_Software.ID 1
_Software.Type .
_Software.Name SPARKY
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 51889 1
collection . 51889 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer_1
_NMR_spectrometer.Entry_ID 51889
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 'Bruker 800 two'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DMX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list_1
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list_1
_Experiment_list.Entry_ID 51889
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NUS_flag
_Experiment.Interleaved_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.Details
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '1H-15N HSQC' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51889 1
2 '3D HN(CA)CO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51889 1
stop_
save_
#########################
# Spectral peak lists #
#########################
save_spectral_peak_list_1
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_1
_Spectral_peak_list.Entry_ID 51889
_Spectral_peak_list.ID 1
_Spectral_peak_list.Name '1H-15N HSQC'
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID .
_Spectral_peak_list.Chem_shift_reference_label .
_Spectral_peak_list.Experiment_ID 1
_Spectral_peak_list.Experiment_name '1H-15N HSQC'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 2
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID .
_Spectral_peak_list.Assigned_chem_shift_list_label .
_Spectral_peak_list.Details .
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
Assignment w1 w2
?-? 126.195 10.196
?-? 129.567 10.141
?-? 130.190 9.065
?-? 123.278 9.085
?-? 125.494 8.931
?-? 108.318 9.342
?-? 109.303 7.039
?-? 116.123 8.657
?-? 122.805 8.252
?-? 114.867 8.642
?-? 114.183 8.463
?-? 122.439 8.311
?-? 120.113 8.649
?-? 117.230 8.265
?-? 118.687 8.548
?-? 118.860 8.454
?-? 115.479 8.235
?-? 115.243 7.969
?-? 117.006 7.989
?-? 113.166 8.067
?-? 114.045 7.933
?-? 115.644 7.877
?-? 115.648 7.288
?-? 113.633 7.106
?-? 113.175 7.109
?-? 114.893 6.600
?-? 108.778 7.042
?-? 110.386 6.823
?-? 113.699 7.811
?-? 113.175 7.754
?-? 112.813 8.076
?-? 113.366 8.175
?-? 113.327 8.151
?-? 112.567 7.663
?-? 122.079 8.428
?-? 122.051 8.378
?-? 113.134 7.662
?-? 112.979 7.677
?-? 113.324 7.636
?-? 113.204 7.633
?-? 113.089 7.536
?-? 112.951 7.606
?-? 112.823 7.602
?-? 112.601 7.545
?-? 111.812 7.604
?-? 112.097 7.673
?-? 111.892 7.673
?-? 112.490 7.606
?-? 112.625 7.755
?-? 111.352 7.605
?-? 110.936 7.533
?-? 111.439 7.532
?-? 111.814 7.478
?-? 110.880 7.444
?-? 111.346 7.479
?-? 111.781 7.410
?-? 111.316 7.412
?-? 110.968 7.350
?-? 111.258 7.314
?-? 111.894 7.308
?-? 111.775 7.083
?-? 111.225 7.085
?-? 110.941 6.821
?-? 111.214 6.849
?-? 111.404 6.931
?-? 111.899 6.929
?-? 111.801 6.787
?-? 111.409 6.789
?-? 112.457 6.910
?-? 112.604 6.954
?-? 113.137 6.951
?-? 112.957 6.920
?-? 114.043 6.948
?-? 113.698 6.968
?-? 113.021 6.849
?-? 112.950 6.820
?-? 111.124 6.456
?-? 111.343 6.606
?-? 112.833 6.786
?-? 112.503 6.848
?-? 112.442 6.825
?-? 113.287 6.741
?-? 113.736 7.450
?-? 118.101 7.849
?-? 119.209 7.773
?-? 121.331 7.992
?-? 121.782 8.022
?-? 120.218 8.038
?-? 121.436 8.473
?-? 121.104 8.344
?-? 120.597 8.378
?-? 121.297 8.249
?-? 119.347 8.434
?-? 112.690 6.976
?-? 121.788 8.405
?-? 109.320 8.196
?-? 120.841 8.427
?-? 120.712 8.962
T23N-H 116.461 8.189
T23N-H 116.668 8.406
M24N-H 119.713 7.348
A25N-H 121.495 7.175
N26N-H 119.623 8.158
N27N-H 123.174 8.056
S31N-H 115.892 8.299
T32N-H 115.603 8.293
E33N-H 122.536 8.375
D34N-H 121.105 8.311
A35N-H 124.173 8.105
Q36N-H 119.313 8.387
V37N-H 121.289 8.390
E38N-H 122.972 8.532
D39N-H 119.457 8.173
T40N-H 112.911 7.934
V41N-H 120.679 8.123
A42N-H 128.458 7.962
F43N-H 125.043 8.898
D46N-H 116.782 8.203
L47N-H 120.268 7.667
Y48N-H 118.328 7.574
S49N-H 117.531 8.678
Q50N-H 120.903 7.841
A51N-H 122.605 7.544
S52N-H 110.731 7.958
K53N-H 118.786 7.047
A54N-H 124.336 7.282
S55N-H 114.618 8.777
A56N-H 123.472 8.831
E57N-H 114.959 8.789
D58N-H 120.035 7.681
K59N-H 123.758 8.980
L60N-H 121.147 8.144
H61N-H 118.250 8.461
F62N-H 120.929 8.357
T63N-H 115.175 8.009
V64N-H 120.302 8.565
Q65N-H 117.751 7.453
V66N-H 119.769 8.074
L67N-H 116.794 7.771
E68N-H 118.143 8.543
E69N-H 120.063 8.720
A70N-H 121.758 8.275
A71N-H 116.486 8.105
A72N-H 118.725 7.820
L73N-H 120.426 7.766
F74N-H 112.707 7.567
E75N-H 116.968 7.750
S79N-H 120.352 8.515
N80N-H 117.983 9.307
A81N-H 120.737 7.273
N86N-H 115.292 8.971
T87N-H 117.363 7.492
A99N-H 121.691 8.367
D100N-H 116.896 8.188
G101N-H 109.449 7.708
L102N-H 120.874 7.772
R103N-H 120.021 8.494
S104N-H 114.312 7.588
C105N-H 118.600 7.799
T106N-H 109.120 7.713
G107N-H 109.839 8.457
S108N-H 123.377 8.104
K112N-H 122.485 8.052
K113N-H 122.510 8.070
K114N-H 122.889 8.333
N115N-H 122.528 9.489
K117N-H 120.111 8.246
L118N-H 122.333 8.566
H119N-H 118.123 7.891
M120N-H 116.637 8.658
Y121N-H 121.923 7.882
F122N-H 120.492 7.862
K123N-H 119.769 8.142
R124N-H 122.234 7.915
L125N-H 120.400 7.782
S126N-H 110.374 7.250
S127N-H 114.368 8.646
H128N-H 121.409 9.448
V129N-H 115.847 7.000
L130N-H 115.035 7.085
K131N-H 117.263 8.562
K132N-H 118.893 6.560
M133N-H 114.253 7.132
S134N-H 113.329 7.873
H135N-H 112.154 9.265
S136N-H 113.224 7.227
A137N-H 122.318 9.200
E138N-H 117.879 8.767
A139N-H 125.038 7.903
W140N-H 116.797 8.168
E141N-H 121.262 8.060
L142N-H 120.368 7.682
I143N-H 119.271 8.188
R144N-H 122.716 9.386
K145N-H 116.344 8.077
E146N-H 119.608 8.096
I147N-H 119.435 9.412
R148N-H 121.560 8.490
T149N-H 116.270 7.769
H150N-H 120.574 8.578
L151N-H 118.108 8.958
M152N-H 120.595 8.536
R153N-H 121.001 8.747
A154N-H 124.764 9.725
D155N-H 118.034 8.010
Q156N-H 119.091 7.824
L157N-H 121.065 8.235
V158N-H 120.887 8.514
S159N-H 116.145 8.701
S160N-H 115.847 7.533
L161N-H 122.121 7.817
R162N-H 118.674 7.436
N163N-H 120.931 8.644
T164N-H 114.011 8.104
N165N-H 126.251 8.128
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . C 13 CA . aliased 6132.234 ppm . . . . . . 51889 1
stop_
loop_
_Spectral_peak_software.Software_ID
_Spectral_peak_software.Software_label
_Spectral_peak_software.Method_ID
_Spectral_peak_software.Method_label
_Spectral_peak_software.Entry_ID
_Spectral_peak_software.Spectral_peak_list_ID
1 $software_1 . . 51889 1
stop_
save_