data_52218
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 52218
_Entry.Title
;
NMR assignments of capsid protein protrusion domain of Dragon grouper nervous necrosis virus at pH 5
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2023-11-29
_Entry.Accession_date 2023-11-29
_Entry.Last_release_date 2023-11-29
_Entry.Original_release_date 2023-11-29
_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 Petra Sterbova . . . . 52218
2 Yuan-Chao Lou . . . . 52218
3 Der-Lii Tzou . . . . 52218
4 Wei-Hau Chang . . . . 52218
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 2 52218
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 376 52218
'15N chemical shifts' 120 52218
'1H chemical shifts' 120 52218
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
2 . . 2024-09-23 2023-11-29 update BMRB 'update entry citation' 52218
1 . . 2024-08-05 2023-11-29 original author 'original release' 52218
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 27925 'capsid protrusion domain of dragon grouper nervous necrosis virus' 52218
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 52218
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID 39087906
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
Molecular Mechanism of pH-Induced Protrusion Configuration Switching in Piscine Betanodavirus Implies a Novel Antiviral Strategy
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'ACS Infect. Dis.'
_Citation.Journal_name_full 'ACS infectious diseases'
_Citation.Journal_volume 10
_Citation.Journal_issue 9
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 2373-8227
_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 3304
_Citation.Page_last 3319
_Citation.Year 2024
_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 Petra Sterbova P. . . . 52218 1
2 Chun-Hsiung Wang C. H. . . 52218 1
3 Kathleen Carillo . . . . 52218 1
4 Yuan-Chao Lou Y. C. . . 52218 1
5 Takayuki Kato T. . . . 52218 1
6 Keiichi Namba K. . . . 52218 1
7 Der-Lii Tzou D. M. . . 52218 1
8 Wei-Hau Chang W. H. . . 52218 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 52218
_Assembly.ID 1
_Assembly.Name 'Protrusion domain trimer'
_Assembly.BMRB_code .
_Assembly.Number_of_components 3
_Assembly.Organic_ligands 0
_Assembly.Metal_ions 0
_Assembly.Non_standard_bonds no
_Assembly.Ambiguous_conformational_states yes
_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 'protrusion domain, chain 1' 1 $entity_1 . . yes native yes no . . . 52218 1
2 'protrusion domain, chain 2' 1 $entity_1 . . no native yes no . . . 52218 1
3 'protrusion domain, chain 3' 1 $entity_1 . . no native yes no . . . 52218 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 52218
_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
;
TPEETTAPIMTQGSLYNDSL
STNDFKSILLGSTPLDIAPD
GAVFQLDRPLSIDYSLGTGD
VDRAVYWHLKKFAGNAGTPA
GWFRWGIWDNFNKTFTDGVA
YYSDEQPRQILLPVGTVCTR
VDSEN
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states yes
_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 125
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 13809.3
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
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
1 214 THR . 52218 1
2 215 PRO . 52218 1
3 216 GLU . 52218 1
4 217 GLU . 52218 1
5 218 THR . 52218 1
6 219 THR . 52218 1
7 220 ALA . 52218 1
8 221 PRO . 52218 1
9 222 ILE . 52218 1
10 223 MET . 52218 1
11 224 THR . 52218 1
12 225 GLN . 52218 1
13 226 GLY . 52218 1
14 227 SER . 52218 1
15 228 LEU . 52218 1
16 229 TYR . 52218 1
17 230 ASN . 52218 1
18 231 ASP . 52218 1
19 232 SER . 52218 1
20 233 LEU . 52218 1
21 234 SER . 52218 1
22 235 THR . 52218 1
23 236 ASN . 52218 1
24 237 ASP . 52218 1
25 238 PHE . 52218 1
26 239 LYS . 52218 1
27 240 SER . 52218 1
28 241 ILE . 52218 1
29 242 LEU . 52218 1
30 243 LEU . 52218 1
31 244 GLY . 52218 1
32 245 SER . 52218 1
33 246 THR . 52218 1
34 247 PRO . 52218 1
35 248 LEU . 52218 1
36 249 ASP . 52218 1
37 250 ILE . 52218 1
38 251 ALA . 52218 1
39 252 PRO . 52218 1
40 253 ASP . 52218 1
41 254 GLY . 52218 1
42 255 ALA . 52218 1
43 256 VAL . 52218 1
44 257 PHE . 52218 1
45 258 GLN . 52218 1
46 259 LEU . 52218 1
47 260 ASP . 52218 1
48 261 ARG . 52218 1
49 262 PRO . 52218 1
50 263 LEU . 52218 1
51 264 SER . 52218 1
52 265 ILE . 52218 1
53 266 ASP . 52218 1
54 267 TYR . 52218 1
55 268 SER . 52218 1
56 269 LEU . 52218 1
57 270 GLY . 52218 1
58 271 THR . 52218 1
59 272 GLY . 52218 1
60 273 ASP . 52218 1
61 274 VAL . 52218 1
62 275 ASP . 52218 1
63 276 ARG . 52218 1
64 277 ALA . 52218 1
65 278 VAL . 52218 1
66 279 TYR . 52218 1
67 280 TRP . 52218 1
68 281 HIS . 52218 1
69 282 LEU . 52218 1
70 283 LYS . 52218 1
71 284 LYS . 52218 1
72 285 PHE . 52218 1
73 286 ALA . 52218 1
74 287 GLY . 52218 1
75 288 ASN . 52218 1
76 289 ALA . 52218 1
77 290 GLY . 52218 1
78 291 THR . 52218 1
79 292 PRO . 52218 1
80 293 ALA . 52218 1
81 294 GLY . 52218 1
82 295 TRP . 52218 1
83 296 PHE . 52218 1
84 297 ARG . 52218 1
85 298 TRP . 52218 1
86 299 GLY . 52218 1
87 300 ILE . 52218 1
88 301 TRP . 52218 1
89 302 ASP . 52218 1
90 303 ASN . 52218 1
91 304 PHE . 52218 1
92 305 ASN . 52218 1
93 306 LYS . 52218 1
94 307 THR . 52218 1
95 308 PHE . 52218 1
96 309 THR . 52218 1
97 310 ASP . 52218 1
98 311 GLY . 52218 1
99 312 VAL . 52218 1
100 313 ALA . 52218 1
101 314 TYR . 52218 1
102 315 TYR . 52218 1
103 316 SER . 52218 1
104 317 ASP . 52218 1
105 318 GLU . 52218 1
106 319 GLN . 52218 1
107 320 PRO . 52218 1
108 321 ARG . 52218 1
109 322 GLN . 52218 1
110 323 ILE . 52218 1
111 324 LEU . 52218 1
112 325 LEU . 52218 1
113 326 PRO . 52218 1
114 327 VAL . 52218 1
115 328 GLY . 52218 1
116 329 THR . 52218 1
117 330 VAL . 52218 1
118 331 CYS . 52218 1
119 332 THR . 52218 1
120 333 ARG . 52218 1
121 334 VAL . 52218 1
122 335 ASP . 52218 1
123 336 SER . 52218 1
124 337 GLU . 52218 1
125 338 ASN . 52218 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
. THR 1 1 52218 1
. PRO 2 2 52218 1
. GLU 3 3 52218 1
. GLU 4 4 52218 1
. THR 5 5 52218 1
. THR 6 6 52218 1
. ALA 7 7 52218 1
. PRO 8 8 52218 1
. ILE 9 9 52218 1
. MET 10 10 52218 1
. THR 11 11 52218 1
. GLN 12 12 52218 1
. GLY 13 13 52218 1
. SER 14 14 52218 1
. LEU 15 15 52218 1
. TYR 16 16 52218 1
. ASN 17 17 52218 1
. ASP 18 18 52218 1
. SER 19 19 52218 1
. LEU 20 20 52218 1
. SER 21 21 52218 1
. THR 22 22 52218 1
. ASN 23 23 52218 1
. ASP 24 24 52218 1
. PHE 25 25 52218 1
. LYS 26 26 52218 1
. SER 27 27 52218 1
. ILE 28 28 52218 1
. LEU 29 29 52218 1
. LEU 30 30 52218 1
. GLY 31 31 52218 1
. SER 32 32 52218 1
. THR 33 33 52218 1
. PRO 34 34 52218 1
. LEU 35 35 52218 1
. ASP 36 36 52218 1
. ILE 37 37 52218 1
. ALA 38 38 52218 1
. PRO 39 39 52218 1
. ASP 40 40 52218 1
. GLY 41 41 52218 1
. ALA 42 42 52218 1
. VAL 43 43 52218 1
. PHE 44 44 52218 1
. GLN 45 45 52218 1
. LEU 46 46 52218 1
. ASP 47 47 52218 1
. ARG 48 48 52218 1
. PRO 49 49 52218 1
. LEU 50 50 52218 1
. SER 51 51 52218 1
. ILE 52 52 52218 1
. ASP 53 53 52218 1
. TYR 54 54 52218 1
. SER 55 55 52218 1
. LEU 56 56 52218 1
. GLY 57 57 52218 1
. THR 58 58 52218 1
. GLY 59 59 52218 1
. ASP 60 60 52218 1
. VAL 61 61 52218 1
. ASP 62 62 52218 1
. ARG 63 63 52218 1
. ALA 64 64 52218 1
. VAL 65 65 52218 1
. TYR 66 66 52218 1
. TRP 67 67 52218 1
. HIS 68 68 52218 1
. LEU 69 69 52218 1
. LYS 70 70 52218 1
. LYS 71 71 52218 1
. PHE 72 72 52218 1
. ALA 73 73 52218 1
. GLY 74 74 52218 1
. ASN 75 75 52218 1
. ALA 76 76 52218 1
. GLY 77 77 52218 1
. THR 78 78 52218 1
. PRO 79 79 52218 1
. ALA 80 80 52218 1
. GLY 81 81 52218 1
. TRP 82 82 52218 1
. PHE 83 83 52218 1
. ARG 84 84 52218 1
. TRP 85 85 52218 1
. GLY 86 86 52218 1
. ILE 87 87 52218 1
. TRP 88 88 52218 1
. ASP 89 89 52218 1
. ASN 90 90 52218 1
. PHE 91 91 52218 1
. ASN 92 92 52218 1
. LYS 93 93 52218 1
. THR 94 94 52218 1
. PHE 95 95 52218 1
. THR 96 96 52218 1
. ASP 97 97 52218 1
. GLY 98 98 52218 1
. VAL 99 99 52218 1
. ALA 100 100 52218 1
. TYR 101 101 52218 1
. TYR 102 102 52218 1
. SER 103 103 52218 1
. ASP 104 104 52218 1
. GLU 105 105 52218 1
. GLN 106 106 52218 1
. PRO 107 107 52218 1
. ARG 108 108 52218 1
. GLN 109 109 52218 1
. ILE 110 110 52218 1
. LEU 111 111 52218 1
. LEU 112 112 52218 1
. PRO 113 113 52218 1
. VAL 114 114 52218 1
. GLY 115 115 52218 1
. THR 116 116 52218 1
. VAL 117 117 52218 1
. CYS 118 118 52218 1
. THR 119 119 52218 1
. ARG 120 120 52218 1
. VAL 121 121 52218 1
. ASP 122 122 52218 1
. SER 123 123 52218 1
. GLU 124 124 52218 1
. ASN 125 125 52218 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 52218
_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 . 292633 virus . 'Dragon grouper nervous necrosis virus' 'Dragon grouper nervous necrosis virus' . . Viruses . Betanodavirus 'Redspotted grouper nervous necrosis virus' . . . . . . . . . . . . . 52218 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 52218
_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 . . pETDuet . . . 52218 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 52218
_Sample.ID 1
_Sample.Name 'Protrusion domain'
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number 1
_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 'Protrusion domain' '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 1.0 . . mM . . . . 52218 1
2 'sodium acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 52218 1
3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 52218 1
4 EDTA 'natural abundance' . . . . . . 0.5 . . mM . . . . 52218 1
5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 52218 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 52218
_Sample_condition_list.ID 1
_Sample_condition_list.Name 'pH 5'
_Sample_condition_list.Details 'sodium acetate 20mM, sodium chloride 50 mM, EDTA 0.5 mM, sodium azide 0.02%'
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' 0.07 . M 52218 1
pH 5.0 . pH 52218 1
pressure 1 . atm 52218 1
temperature 298 . K 52218 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 52218
_Software.ID 1
_Software.Type .
_Software.Name NMRViewJ
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' . 52218 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 52218
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 'Avance III 850'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 850
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 52218
_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 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52218 1
2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52218 1
3 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52218 1
4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52218 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chem_shift_reference_1
_Chem_shift_reference.Entry_ID 52218
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name 'chemical shift reference'
_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.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 52218 1
H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 52218 1
N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 52218 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_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 52218
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Protrusion domain_CS_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 $chem_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' . . . 52218 1
2 '3D HNCACB' . . . 52218 1
3 '3D HN(CA)CO' . . . 52218 1
4 '3D HNCO' . . . 52218 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52218 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 2 2 PRO C C 13 176.1000 0.0000 . 1 . . . . . 215 PRO C . 52218 1
2 . 1 . 1 2 2 PRO CA C 13 62.4700 0.0000 . 1 . . . . . 215 PRO CA . 52218 1
3 . 1 . 1 2 2 PRO CB C 13 33.6300 0.0000 . 1 . . . . . 215 PRO CB . 52218 1
4 . 1 . 1 3 3 GLU H H 1 8.7900 0.0000 . 1 . . . . . 216 GLU H . 52218 1
5 . 1 . 1 3 3 GLU C C 13 176.3900 0.0000 . 1 . . . . . 216 GLU C . 52218 1
6 . 1 . 1 3 3 GLU CA C 13 56.1800 0.0000 . 1 . . . . . 216 GLU CA . 52218 1
7 . 1 . 1 3 3 GLU CB C 13 29.0200 0.0000 . 1 . . . . . 216 GLU CB . 52218 1
8 . 1 . 1 3 3 GLU N N 15 121.7100 0.0000 . 1 . . . . . 216 GLU N . 52218 1
9 . 1 . 1 4 4 GLU H H 1 8.6858 0.0000 . 1 . . . . . 217 GLU H . 52218 1
10 . 1 . 1 4 4 GLU C C 13 176.6937 0.0000 . 1 . . . . . 217 GLU C . 52218 1
11 . 1 . 1 4 4 GLU CA C 13 55.9557 0.0000 . 1 . . . . . 217 GLU CA . 52218 1
12 . 1 . 1 4 4 GLU CB C 13 29.2700 0.0000 . 1 . . . . . 217 GLU CB . 52218 1
13 . 1 . 1 4 4 GLU N N 15 122.2100 0.0000 . 1 . . . . . 217 GLU N . 52218 1
14 . 1 . 1 5 5 THR H H 1 8.2600 0.0000 . 1 . . . . . 218 THR H . 52218 1
15 . 1 . 1 5 5 THR C C 13 174.7600 0.0000 . 1 . . . . . 218 THR C . 52218 1
16 . 1 . 1 5 5 THR CA C 13 61.5500 0.0000 . 1 . . . . . 218 THR CA . 52218 1
17 . 1 . 1 5 5 THR CB C 13 69.0770 0.0000 . 1 . . . . . 218 THR CB . 52218 1
18 . 1 . 1 5 5 THR N N 15 115.4500 0.0000 . 1 . . . . . 218 THR N . 52218 1
19 . 1 . 1 6 6 THR H H 1 8.1800 0.0000 . 1 . . . . . 219 THR H . 52218 1
20 . 1 . 1 6 6 THR C C 13 173.7920 0.0000 . 1 . . . . . 219 THR C . 52218 1
21 . 1 . 1 6 6 THR CA C 13 61.4685 0.0000 . 1 . . . . . 219 THR CA . 52218 1
22 . 1 . 1 6 6 THR CB C 13 69.0836 0.0000 . 1 . . . . . 219 THR CB . 52218 1
23 . 1 . 1 6 6 THR N N 15 116.5740 0.0000 . 1 . . . . . 219 THR N . 52218 1
24 . 1 . 1 7 7 ALA H H 1 8.2184 0.0000 . 1 . . . . . 220 ALA H . 52218 1
25 . 1 . 1 7 7 ALA C C 13 175.3699 0.0000 . 1 . . . . . 220 ALA C . 52218 1
26 . 1 . 1 7 7 ALA CA C 13 50.1936 0.0000 . 1 . . . . . 220 ALA CA . 52218 1
27 . 1 . 1 7 7 ALA CB C 13 17.5607 0.0000 . 1 . . . . . 220 ALA CB . 52218 1
28 . 1 . 1 7 7 ALA N N 15 128.1180 0.0000 . 1 . . . . . 220 ALA N . 52218 1
29 . 1 . 1 8 8 PRO C C 13 176.3962 0.0000 . 1 . . . . . 221 PRO C . 52218 1
30 . 1 . 1 8 8 PRO CA C 13 62.3595 0.0000 . 1 . . . . . 221 PRO CA . 52218 1
31 . 1 . 1 8 8 PRO CB C 13 31.6942 0.0000 . 1 . . . . . 221 PRO CB . 52218 1
32 . 1 . 1 9 9 ILE H H 1 8.6801 0.0000 . 1 . . . . . 222 ILE H . 52218 1
33 . 1 . 1 9 9 ILE C C 13 174.4739 0.0000 . 1 . . . . . 222 ILE C . 52218 1
34 . 1 . 1 9 9 ILE CA C 13 60.9577 0.0000 . 1 . . . . . 222 ILE CA . 52218 1
35 . 1 . 1 9 9 ILE CB C 13 38.5316 0.0000 . 1 . . . . . 222 ILE CB . 52218 1
36 . 1 . 1 9 9 ILE N N 15 123.6228 0.0000 . 1 . . . . . 222 ILE N . 52218 1
37 . 1 . 1 10 10 MET H H 1 8.0998 0.0000 . 1 . . . . . 223 MET H . 52218 1
38 . 1 . 1 10 10 MET C C 13 177.2893 0.0000 . 1 . . . . . 223 MET C . 52218 1
39 . 1 . 1 10 10 MET CA C 13 53.1597 0.0000 . 1 . . . . . 223 MET CA . 52218 1
40 . 1 . 1 10 10 MET CB C 13 34.9046 0.0000 . 1 . . . . . 223 MET CB . 52218 1
41 . 1 . 1 10 10 MET N N 15 124.7159 0.0000 . 1 . . . . . 223 MET N . 52218 1
42 . 1 . 1 11 11 THR H H 1 9.4036 0.0000 . 1 . . . . . 224 THR H . 52218 1
43 . 1 . 1 11 11 THR C C 13 175.7869 0.0000 . 1 . . . . . 224 THR C . 52218 1
44 . 1 . 1 11 11 THR CA C 13 62.3898 0.0000 . 1 . . . . . 224 THR CA . 52218 1
45 . 1 . 1 11 11 THR CB C 13 68.4949 0.0000 . 1 . . . . . 224 THR CB . 52218 1
46 . 1 . 1 11 11 THR N N 15 115.5896 0.0000 . 1 . . . . . 224 THR N . 52218 1
47 . 1 . 1 12 12 GLN H H 1 8.3903 0.0000 . 1 . . . . . 225 GLN H . 52218 1
48 . 1 . 1 12 12 GLN C C 13 174.1862 0.0000 . 1 . . . . . 225 GLN C . 52218 1
49 . 1 . 1 12 12 GLN CA C 13 54.8949 0.0000 . 1 . . . . . 225 GLN CA . 52218 1
50 . 1 . 1 12 12 GLN CB C 13 30.1161 0.0000 . 1 . . . . . 225 GLN CB . 52218 1
51 . 1 . 1 12 12 GLN N N 15 118.0135 0.0000 . 1 . . . . . 225 GLN N . 52218 1
52 . 1 . 1 13 13 GLY H H 1 7.4316 0.0000 . 1 . . . . . 226 GLY H . 52218 1
53 . 1 . 1 13 13 GLY C C 13 171.7113 0.0000 . 1 . . . . . 226 GLY C . 52218 1
54 . 1 . 1 13 13 GLY CA C 13 43.3421 0.0000 . 1 . . . . . 226 GLY CA . 52218 1
55 . 1 . 1 13 13 GLY N N 15 109.5922 0.0000 . 1 . . . . . 226 GLY N . 52218 1
56 . 1 . 1 14 14 SER H H 1 8.5988 0.0000 . 1 . . . . . 227 SER H . 52218 1
57 . 1 . 1 14 14 SER C C 13 172.1698 0.0000 . 1 . . . . . 227 SER C . 52218 1
58 . 1 . 1 14 14 SER CA C 13 58.4747 0.0000 . 1 . . . . . 227 SER CA . 52218 1
59 . 1 . 1 14 14 SER CB C 13 63.9331 0.0000 . 1 . . . . . 227 SER CB . 52218 1
60 . 1 . 1 14 14 SER N N 15 119.2760 0.0000 . 1 . . . . . 227 SER N . 52218 1
61 . 1 . 1 15 15 LEU H H 1 8.0130 0.0000 . 1 . . . . . 228 LEU H . 52218 1
62 . 1 . 1 15 15 LEU C C 13 175.1261 0.0000 . 1 . . . . . 228 LEU C . 52218 1
63 . 1 . 1 15 15 LEU CA C 13 52.2713 0.0000 . 1 . . . . . 228 LEU CA . 52218 1
64 . 1 . 1 15 15 LEU CB C 13 42.5274 0.0000 . 1 . . . . . 228 LEU CB . 52218 1
65 . 1 . 1 15 15 LEU N N 15 123.8198 0.0000 . 1 . . . . . 228 LEU N . 52218 1
66 . 1 . 1 16 16 TYR H H 1 9.1231 0.0000 . 1 . . . . . 229 TYR H . 52218 1
67 . 1 . 1 16 16 TYR C C 13 177.5613 0.0000 . 1 . . . . . 229 TYR C . 52218 1
68 . 1 . 1 16 16 TYR CA C 13 56.8494 0.0000 . 1 . . . . . 229 TYR CA . 52218 1
69 . 1 . 1 16 16 TYR CB C 13 40.0988 0.0000 . 1 . . . . . 229 TYR CB . 52218 1
70 . 1 . 1 16 16 TYR N N 15 127.2412 0.0000 . 1 . . . . . 229 TYR N . 52218 1
71 . 1 . 1 17 17 ASN H H 1 9.3649 0.0000 . 1 . . . . . 230 ASN H . 52218 1
72 . 1 . 1 17 17 ASN C C 13 175.9697 0.0000 . 1 . . . . . 230 ASN C . 52218 1
73 . 1 . 1 17 17 ASN CA C 13 55.0525 0.0000 . 1 . . . . . 230 ASN CA . 52218 1
74 . 1 . 1 17 17 ASN CB C 13 34.7064 0.0000 . 1 . . . . . 230 ASN CB . 52218 1
75 . 1 . 1 17 17 ASN N N 15 120.6588 0.0000 . 1 . . . . . 230 ASN N . 52218 1
76 . 1 . 1 18 18 ASP H H 1 7.9312 0.0000 . 1 . . . . . 231 ASP H . 52218 1
77 . 1 . 1 18 18 ASP C C 13 177.0745 0.0000 . 1 . . . . . 231 ASP C . 52218 1
78 . 1 . 1 18 18 ASP CA C 13 54.2628 0.0000 . 1 . . . . . 231 ASP CA . 52218 1
79 . 1 . 1 18 18 ASP CB C 13 38.7057 0.0000 . 1 . . . . . 231 ASP CB . 52218 1
80 . 1 . 1 18 18 ASP N N 15 116.8774 0.0000 . 1 . . . . . 231 ASP N . 52218 1
81 . 1 . 1 19 19 SER H H 1 7.8112 0.0000 . 1 . . . . . 232 SER H . 52218 1
82 . 1 . 1 19 19 SER C C 13 173.8233 0.0000 . 1 . . . . . 232 SER C . 52218 1
83 . 1 . 1 19 19 SER CA C 13 58.7742 0.0000 . 1 . . . . . 232 SER CA . 52218 1
84 . 1 . 1 19 19 SER CB C 13 64.4225 0.0000 . 1 . . . . . 232 SER CB . 52218 1
85 . 1 . 1 19 19 SER N N 15 114.3035 0.0000 . 1 . . . . . 232 SER N . 52218 1
86 . 1 . 1 20 20 LEU H H 1 7.2504 0.0000 . 1 . . . . . 233 LEU H . 52218 1
87 . 1 . 1 20 20 LEU C C 13 179.5742 0.0000 . 1 . . . . . 233 LEU C . 52218 1
88 . 1 . 1 20 20 LEU CA C 13 55.9785 0.0000 . 1 . . . . . 233 LEU CA . 52218 1
89 . 1 . 1 20 20 LEU CB C 13 41.1908 0.0000 . 1 . . . . . 233 LEU CB . 52218 1
90 . 1 . 1 20 20 LEU N N 15 120.9104 0.0000 . 1 . . . . . 233 LEU N . 52218 1
91 . 1 . 1 21 21 SER H H 1 8.8760 0.0000 . 1 . . . . . 234 SER H . 52218 1
92 . 1 . 1 21 21 SER C C 13 173.1759 0.0000 . 1 . . . . . 234 SER C . 52218 1
93 . 1 . 1 21 21 SER CA C 13 56.6734 0.0000 . 1 . . . . . 234 SER CA . 52218 1
94 . 1 . 1 21 21 SER CB C 13 63.0368 0.0000 . 1 . . . . . 234 SER CB . 52218 1
95 . 1 . 1 21 21 SER N N 15 118.7326 0.0000 . 1 . . . . . 234 SER N . 52218 1
96 . 1 . 1 22 22 THR H H 1 7.9725 0.0000 . 1 . . . . . 235 THR H . 52218 1
97 . 1 . 1 22 22 THR C C 13 175.3791 0.0000 . 1 . . . . . 235 THR C . 52218 1
98 . 1 . 1 22 22 THR CA C 13 66.1426 0.0000 . 1 . . . . . 235 THR CA . 52218 1
99 . 1 . 1 22 22 THR CB C 13 68.5326 0.0000 . 1 . . . . . 235 THR CB . 52218 1
100 . 1 . 1 22 22 THR N N 15 110.9413 0.0000 . 1 . . . . . 235 THR N . 52218 1
101 . 1 . 1 23 23 ASN H H 1 8.3464 0.0000 . 1 . . . . . 236 ASN H . 52218 1
102 . 1 . 1 23 23 ASN C C 13 172.9335 0.0000 . 1 . . . . . 236 ASN C . 52218 1
103 . 1 . 1 23 23 ASN CA C 13 53.1644 0.0000 . 1 . . . . . 236 ASN CA . 52218 1
104 . 1 . 1 23 23 ASN CB C 13 41.3337 0.0000 . 1 . . . . . 236 ASN CB . 52218 1
105 . 1 . 1 23 23 ASN N N 15 112.8458 0.0000 . 1 . . . . . 236 ASN N . 52218 1
106 . 1 . 1 24 24 ASP H H 1 7.4652 0.0000 . 1 . . . . . 237 ASP H . 52218 1
107 . 1 . 1 24 24 ASP C C 13 173.9987 0.0000 . 1 . . . . . 237 ASP C . 52218 1
108 . 1 . 1 24 24 ASP CA C 13 52.0288 0.0000 . 1 . . . . . 237 ASP CA . 52218 1
109 . 1 . 1 24 24 ASP CB C 13 43.4196 0.0000 . 1 . . . . . 237 ASP CB . 52218 1
110 . 1 . 1 24 24 ASP N N 15 116.3419 0.0000 . 1 . . . . . 237 ASP N . 52218 1
111 . 1 . 1 25 25 PHE H H 1 8.2387 0.0000 . 1 . . . . . 238 PHE H . 52218 1
112 . 1 . 1 25 25 PHE C C 13 174.4321 0.0000 . 1 . . . . . 238 PHE C . 52218 1
113 . 1 . 1 25 25 PHE CA C 13 56.0924 0.0000 . 1 . . . . . 238 PHE CA . 52218 1
114 . 1 . 1 25 25 PHE CB C 13 41.2972 0.0000 . 1 . . . . . 238 PHE CB . 52218 1
115 . 1 . 1 25 25 PHE N N 15 108.1368 0.0000 . 1 . . . . . 238 PHE N . 52218 1
116 . 1 . 1 26 26 LYS H H 1 8.7375 0.0000 . 1 . . . . . 239 LYS H . 52218 1
117 . 1 . 1 26 26 LYS C C 13 176.2906 0.0000 . 1 . . . . . 239 LYS C . 52218 1
118 . 1 . 1 26 26 LYS CA C 13 57.6446 0.0000 . 1 . . . . . 239 LYS CA . 52218 1
119 . 1 . 1 26 26 LYS CB C 13 32.3854 0.0000 . 1 . . . . . 239 LYS CB . 52218 1
120 . 1 . 1 26 26 LYS N N 15 120.9525 0.0000 . 1 . . . . . 239 LYS N . 52218 1
121 . 1 . 1 27 27 SER H H 1 8.2754 0.0000 . 1 . . . . . 240 SER H . 52218 1
122 . 1 . 1 27 27 SER C C 13 178.2100 0.0000 . 1 . . . . . 240 SER C . 52218 1
123 . 1 . 1 27 27 SER CA C 13 61.6383 0.0000 . 1 . . . . . 240 SER CA . 52218 1
124 . 1 . 1 27 27 SER CB C 13 63.8877 0.0000 . 1 . . . . . 240 SER CB . 52218 1
125 . 1 . 1 27 27 SER N N 15 117.8521 0.0000 . 1 . . . . . 240 SER N . 52218 1
126 . 1 . 1 28 28 ILE H H 1 8.6219 0.0000 . 1 . . . . . 241 ILE H . 52218 1
127 . 1 . 1 28 28 ILE C C 13 178.0000 0.0000 . 1 . . . . . 241 ILE C . 52218 1
128 . 1 . 1 28 28 ILE CA C 13 62.5823 0.0000 . 1 . . . . . 241 ILE CA . 52218 1
129 . 1 . 1 28 28 ILE CB C 13 37.6738 0.0000 . 1 . . . . . 241 ILE CB . 52218 1
130 . 1 . 1 28 28 ILE N N 15 114.7637 0.0000 . 1 . . . . . 241 ILE N . 52218 1
131 . 1 . 1 29 29 LEU H H 1 7.4045 0.0000 . 1 . . . . . 242 LEU H . 52218 1
132 . 1 . 1 29 29 LEU C C 13 178.0521 0.0000 . 1 . . . . . 242 LEU C . 52218 1
133 . 1 . 1 29 29 LEU CA C 13 56.4915 0.0000 . 1 . . . . . 242 LEU CA . 52218 1
134 . 1 . 1 29 29 LEU CB C 13 41.0284 0.0000 . 1 . . . . . 242 LEU CB . 52218 1
135 . 1 . 1 29 29 LEU N N 15 121.7595 0.0000 . 1 . . . . . 242 LEU N . 52218 1
136 . 1 . 1 30 30 LEU H H 1 7.8261 0.0000 . 1 . . . . . 243 LEU H . 52218 1
137 . 1 . 1 30 30 LEU C C 13 178.6251 0.0000 . 1 . . . . . 243 LEU C . 52218 1
138 . 1 . 1 30 30 LEU CA C 13 54.3761 0.0000 . 1 . . . . . 243 LEU CA . 52218 1
139 . 1 . 1 30 30 LEU CB C 13 38.9155 0.0000 . 1 . . . . . 243 LEU CB . 52218 1
140 . 1 . 1 30 30 LEU N N 15 111.2913 0.0000 . 1 . . . . . 243 LEU N . 52218 1
141 . 1 . 1 31 31 GLY H H 1 7.7390 0.0000 . 1 . . . . . 244 GLY H . 52218 1
142 . 1 . 1 31 31 GLY C C 13 172.4695 0.0000 . 1 . . . . . 244 GLY C . 52218 1
143 . 1 . 1 31 31 GLY CA C 13 46.9457 0.0000 . 1 . . . . . 244 GLY CA . 52218 1
144 . 1 . 1 31 31 GLY N N 15 106.8878 0.0000 . 1 . . . . . 244 GLY N . 52218 1
145 . 1 . 1 32 32 SER H H 1 9.3366 0.0000 . 1 . . . . . 245 SER H . 52218 1
146 . 1 . 1 32 32 SER C C 13 175.1381 0.0000 . 1 . . . . . 245 SER C . 52218 1
147 . 1 . 1 32 32 SER CA C 13 54.8242 0.0000 . 1 . . . . . 245 SER CA . 52218 1
148 . 1 . 1 32 32 SER CB C 13 63.5301 0.0000 . 1 . . . . . 245 SER CB . 52218 1
149 . 1 . 1 32 32 SER N N 15 116.0664 0.0000 . 1 . . . . . 245 SER N . 52218 1
150 . 1 . 1 33 33 THR H H 1 9.3901 0.0000 . 1 . . . . . 246 THR H . 52218 1
151 . 1 . 1 33 33 THR C C 13 173.3278 0.0000 . 1 . . . . . 246 THR C . 52218 1
152 . 1 . 1 33 33 THR CA C 13 54.6100 0.0000 . 1 . . . . . 246 THR CA . 52218 1
153 . 1 . 1 33 33 THR CB C 13 66.1009 0.0000 . 1 . . . . . 246 THR CB . 52218 1
154 . 1 . 1 33 33 THR N N 15 128.1061 0.0000 . 1 . . . . . 246 THR N . 52218 1
155 . 1 . 1 34 34 PRO C C 13 179.0316 0.0000 . 1 . . . . . 247 PRO C . 52218 1
156 . 1 . 1 34 34 PRO CA C 13 65.6086 0.0000 . 1 . . . . . 247 PRO CA . 52218 1
157 . 1 . 1 34 34 PRO CB C 13 31.0198 0.0000 . 1 . . . . . 247 PRO CB . 52218 1
158 . 1 . 1 35 35 LEU H H 1 7.0100 0.0000 . 1 . . . . . 248 LEU H . 52218 1
159 . 1 . 1 35 35 LEU C C 13 179.3094 0.0000 . 1 . . . . . 248 LEU C . 52218 1
160 . 1 . 1 35 35 LEU CA C 13 56.9421 0.0000 . 1 . . . . . 248 LEU CA . 52218 1
161 . 1 . 1 35 35 LEU CB C 13 38.6801 0.0000 . 1 . . . . . 248 LEU CB . 52218 1
162 . 1 . 1 35 35 LEU N N 15 114.3042 0.0000 . 1 . . . . . 248 LEU N . 52218 1
163 . 1 . 1 36 36 ASP H H 1 8.1492 0.0000 . 1 . . . . . 249 ASP H . 52218 1
164 . 1 . 1 36 36 ASP C C 13 178.9674 0.0000 . 1 . . . . . 249 ASP C . 52218 1
165 . 1 . 1 36 36 ASP CA C 13 56.9657 0.0000 . 1 . . . . . 249 ASP CA . 52218 1
166 . 1 . 1 36 36 ASP CB C 13 39.2086 0.0000 . 1 . . . . . 249 ASP CB . 52218 1
167 . 1 . 1 36 36 ASP N N 15 122.6117 0.0000 . 1 . . . . . 249 ASP N . 52218 1
168 . 1 . 1 37 37 ILE H H 1 8.0268 0.0000 . 1 . . . . . 250 ILE H . 52218 1
169 . 1 . 1 37 37 ILE C C 13 176.0335 0.0000 . 1 . . . . . 250 ILE C . 52218 1
170 . 1 . 1 37 37 ILE CA C 13 60.3749 0.0000 . 1 . . . . . 250 ILE CA . 52218 1
171 . 1 . 1 37 37 ILE CB C 13 37.1206 0.0000 . 1 . . . . . 250 ILE CB . 52218 1
172 . 1 . 1 37 37 ILE N N 15 111.1563 0.0000 . 1 . . . . . 250 ILE N . 52218 1
173 . 1 . 1 38 38 ALA H H 1 7.1384 0.0000 . 1 . . . . . 251 ALA H . 52218 1
174 . 1 . 1 38 38 ALA C C 13 174.4473 0.0000 . 1 . . . . . 251 ALA C . 52218 1
175 . 1 . 1 38 38 ALA CA C 13 50.2770 0.0000 . 1 . . . . . 251 ALA CA . 52218 1
176 . 1 . 1 38 38 ALA CB C 13 15.9132 0.0000 . 1 . . . . . 251 ALA CB . 52218 1
177 . 1 . 1 38 38 ALA N N 15 127.1448 0.0000 . 1 . . . . . 251 ALA N . 52218 1
178 . 1 . 1 39 39 PRO C C 13 175.4390 0.0000 . 1 . . . . . 252 PRO C . 52218 1
179 . 1 . 1 39 39 PRO CA C 13 61.2656 0.0000 . 1 . . . . . 252 PRO CA . 52218 1
180 . 1 . 1 39 39 PRO CB C 13 31.7034 0.0000 . 1 . . . . . 252 PRO CB . 52218 1
181 . 1 . 1 40 40 ASP H H 1 8.1837 0.0000 . 1 . . . . . 253 ASP H . 52218 1
182 . 1 . 1 40 40 ASP C C 13 176.9186 0.0000 . 1 . . . . . 253 ASP C . 52218 1
183 . 1 . 1 40 40 ASP CA C 13 55.7990 0.0000 . 1 . . . . . 253 ASP CA . 52218 1
184 . 1 . 1 40 40 ASP CB C 13 41.8586 0.0000 . 1 . . . . . 253 ASP CB . 52218 1
185 . 1 . 1 40 40 ASP N N 15 117.1780 0.0000 . 1 . . . . . 253 ASP N . 52218 1
186 . 1 . 1 41 41 GLY H H 1 8.5154 0.0000 . 1 . . . . . 254 GLY H . 52218 1
187 . 1 . 1 41 41 GLY C C 13 172.9086 0.0000 . 1 . . . . . 254 GLY C . 52218 1
188 . 1 . 1 41 41 GLY CA C 13 44.4939 0.0000 . 1 . . . . . 254 GLY CA . 52218 1
189 . 1 . 1 41 41 GLY N N 15 114.8271 0.0000 . 1 . . . . . 254 GLY N . 52218 1
190 . 1 . 1 42 42 ALA H H 1 7.6750 0.0000 . 1 . . . . . 255 ALA H . 52218 1
191 . 1 . 1 42 42 ALA C C 13 175.4177 0.0000 . 1 . . . . . 255 ALA C . 52218 1
192 . 1 . 1 42 42 ALA CA C 13 52.2237 0.0000 . 1 . . . . . 255 ALA CA . 52218 1
193 . 1 . 1 42 42 ALA CB C 13 18.4759 0.0000 . 1 . . . . . 255 ALA CB . 52218 1
194 . 1 . 1 42 42 ALA N N 15 122.2471 0.0000 . 1 . . . . . 255 ALA N . 52218 1
195 . 1 . 1 43 43 VAL H H 1 8.1242 0.0000 . 1 . . . . . 256 VAL H . 52218 1
196 . 1 . 1 43 43 VAL C C 13 174.8638 0.0000 . 1 . . . . . 256 VAL C . 52218 1
197 . 1 . 1 43 43 VAL CA C 13 59.5901 0.0000 . 1 . . . . . 256 VAL CA . 52218 1
198 . 1 . 1 43 43 VAL CB C 13 33.3134 0.0000 . 1 . . . . . 256 VAL CB . 52218 1
199 . 1 . 1 43 43 VAL N N 15 121.0750 0.0000 . 1 . . . . . 256 VAL N . 52218 1
200 . 1 . 1 44 44 PHE H H 1 9.4799 0.0000 . 1 . . . . . 257 PHE H . 52218 1
201 . 1 . 1 44 44 PHE C C 13 174.9430 0.0000 . 1 . . . . . 257 PHE C . 52218 1
202 . 1 . 1 44 44 PHE CA C 13 55.6581 0.0000 . 1 . . . . . 257 PHE CA . 52218 1
203 . 1 . 1 44 44 PHE CB C 13 42.0859 0.0000 . 1 . . . . . 257 PHE CB . 52218 1
204 . 1 . 1 44 44 PHE N N 15 123.3526 0.0000 . 1 . . . . . 257 PHE N . 52218 1
205 . 1 . 1 45 45 GLN H H 1 9.9005 0.0000 . 1 . . . . . 258 GLN H . 52218 1
206 . 1 . 1 45 45 GLN C C 13 175.0641 0.0000 . 1 . . . . . 258 GLN C . 52218 1
207 . 1 . 1 45 45 GLN CA C 13 53.9402 0.0000 . 1 . . . . . 258 GLN CA . 52218 1
208 . 1 . 1 45 45 GLN CB C 13 31.3004 0.0000 . 1 . . . . . 258 GLN CB . 52218 1
209 . 1 . 1 45 45 GLN N N 15 122.1116 0.0000 . 1 . . . . . 258 GLN N . 52218 1
210 . 1 . 1 46 46 LEU H H 1 8.9579 0.0000 . 1 . . . . . 259 LEU H . 52218 1
211 . 1 . 1 46 46 LEU C C 13 177.9721 0.0000 . 1 . . . . . 259 LEU C . 52218 1
212 . 1 . 1 46 46 LEU CA C 13 53.4270 0.0000 . 1 . . . . . 259 LEU CA . 52218 1
213 . 1 . 1 46 46 LEU CB C 13 45.2091 0.0000 . 1 . . . . . 259 LEU CB . 52218 1
214 . 1 . 1 46 46 LEU N N 15 126.9312 0.0000 . 1 . . . . . 259 LEU N . 52218 1
215 . 1 . 1 47 47 ASP H H 1 8.6011 0.0000 . 1 . . . . . 260 ASP H . 52218 1
216 . 1 . 1 47 47 ASP C C 13 174.7649 0.0000 . 1 . . . . . 260 ASP C . 52218 1
217 . 1 . 1 47 47 ASP CA C 13 52.9670 0.0000 . 1 . . . . . 260 ASP CA . 52218 1
218 . 1 . 1 47 47 ASP CB C 13 39.8263 0.0000 . 1 . . . . . 260 ASP CB . 52218 1
219 . 1 . 1 47 47 ASP N N 15 118.3630 0.0000 . 1 . . . . . 260 ASP N . 52218 1
220 . 1 . 1 48 48 ARG H H 1 7.4091 0.0000 . 1 . . . . . 261 ARG H . 52218 1
221 . 1 . 1 48 48 ARG C C 13 170.5319 0.0000 . 1 . . . . . 261 ARG C . 52218 1
222 . 1 . 1 48 48 ARG CA C 13 52.1595 0.0000 . 1 . . . . . 261 ARG CA . 52218 1
223 . 1 . 1 48 48 ARG CB C 13 30.4992 0.0000 . 1 . . . . . 261 ARG CB . 52218 1
224 . 1 . 1 48 48 ARG N N 15 118.3920 0.0000 . 1 . . . . . 261 ARG N . 52218 1
225 . 1 . 1 49 49 PRO C C 13 175.3716 0.0000 . 1 . . . . . 262 PRO C . 52218 1
226 . 1 . 1 49 49 PRO CA C 13 61.2400 0.0000 . 1 . . . . . 262 PRO CA . 52218 1
227 . 1 . 1 49 49 PRO CB C 13 31.4729 0.0000 . 1 . . . . . 262 PRO CB . 52218 1
228 . 1 . 1 50 50 LEU H H 1 8.0694 0.0000 . 1 . . . . . 263 LEU H . 52218 1
229 . 1 . 1 50 50 LEU C C 13 174.8580 0.0000 . 1 . . . . . 263 LEU C . 52218 1
230 . 1 . 1 50 50 LEU CA C 13 52.7173 0.0000 . 1 . . . . . 263 LEU CA . 52218 1
231 . 1 . 1 50 50 LEU CB C 13 41.3341 0.0000 . 1 . . . . . 263 LEU CB . 52218 1
232 . 1 . 1 50 50 LEU N N 15 121.6654 0.0000 . 1 . . . . . 263 LEU N . 52218 1
233 . 1 . 1 51 51 SER H H 1 7.7676 0.0000 . 1 . . . . . 264 SER H . 52218 1
234 . 1 . 1 51 51 SER C C 13 172.3214 0.0000 . 1 . . . . . 264 SER C . 52218 1
235 . 1 . 1 51 51 SER CA C 13 58.2345 0.0000 . 1 . . . . . 264 SER CA . 52218 1
236 . 1 . 1 51 51 SER CB C 13 62.5721 0.0000 . 1 . . . . . 264 SER CB . 52218 1
237 . 1 . 1 51 51 SER N N 15 123.7544 0.0000 . 1 . . . . . 264 SER N . 52218 1
238 . 1 . 1 52 52 ILE H H 1 9.0200 0.0000 . 1 . . . . . 265 ILE H . 52218 1
239 . 1 . 1 52 52 ILE C C 13 176.3532 0.0000 . 1 . . . . . 265 ILE C . 52218 1
240 . 1 . 1 52 52 ILE CA C 13 55.9295 0.0000 . 1 . . . . . 265 ILE CA . 52218 1
241 . 1 . 1 52 52 ILE CB C 13 38.9133 0.0000 . 1 . . . . . 265 ILE CB . 52218 1
242 . 1 . 1 52 52 ILE N N 15 124.4289 0.0000 . 1 . . . . . 265 ILE N . 52218 1
243 . 1 . 1 53 53 ASP H H 1 8.1270 0.0000 . 1 . . . . . 266 ASP H . 52218 1
244 . 1 . 1 53 53 ASP C C 13 173.9913 0.0000 . 1 . . . . . 266 ASP C . 52218 1
245 . 1 . 1 53 53 ASP CA C 13 54.3847 0.0000 . 1 . . . . . 266 ASP CA . 52218 1
246 . 1 . 1 53 53 ASP CB C 13 41.4075 0.0000 . 1 . . . . . 266 ASP CB . 52218 1
247 . 1 . 1 53 53 ASP N N 15 128.5585 0.0000 . 1 . . . . . 266 ASP N . 52218 1
248 . 1 . 1 54 54 TYR H H 1 9.2059 0.0000 . 1 . . . . . 267 TYR H . 52218 1
249 . 1 . 1 54 54 TYR C C 13 172.3971 0.0000 . 1 . . . . . 267 TYR C . 52218 1
250 . 1 . 1 54 54 TYR CA C 13 55.6626 0.0000 . 1 . . . . . 267 TYR CA . 52218 1
251 . 1 . 1 54 54 TYR CB C 13 42.2148 0.0000 . 1 . . . . . 267 TYR CB . 52218 1
252 . 1 . 1 54 54 TYR N N 15 117.2629 0.0000 . 1 . . . . . 267 TYR N . 52218 1
253 . 1 . 1 55 55 SER H H 1 7.8900 0.0000 . 1 . . . . . 268 SER H . 52218 1
254 . 1 . 1 55 55 SER C C 13 174.7814 0.0000 . 1 . . . . . 268 SER C . 52218 1
255 . 1 . 1 55 55 SER CA C 13 54.7582 0.0000 . 1 . . . . . 268 SER CA . 52218 1
256 . 1 . 1 55 55 SER CB C 13 62.8580 0.0000 . 1 . . . . . 268 SER CB . 52218 1
257 . 1 . 1 55 55 SER N N 15 111.3863 0.0000 . 1 . . . . . 268 SER N . 52218 1
258 . 1 . 1 56 56 LEU H H 1 8.3086 0.0000 . 1 . . . . . 269 LEU H . 52218 1
259 . 1 . 1 56 56 LEU C C 13 177.4951 0.0000 . 1 . . . . . 269 LEU C . 52218 1
260 . 1 . 1 56 56 LEU CA C 13 54.6235 0.0000 . 1 . . . . . 269 LEU CA . 52218 1
261 . 1 . 1 56 56 LEU CB C 13 41.8185 0.0000 . 1 . . . . . 269 LEU CB . 52218 1
262 . 1 . 1 56 56 LEU N N 15 129.5642 0.0000 . 1 . . . . . 269 LEU N . 52218 1
263 . 1 . 1 57 57 GLY H H 1 8.4510 0.0000 . 1 . . . . . 270 GLY H . 52218 1
264 . 1 . 1 57 57 GLY C C 13 174.4718 0.0000 . 1 . . . . . 270 GLY C . 52218 1
265 . 1 . 1 57 57 GLY CA C 13 45.3438 0.0000 . 1 . . . . . 270 GLY CA . 52218 1
266 . 1 . 1 57 57 GLY N N 15 108.5940 0.0000 . 1 . . . . . 270 GLY N . 52218 1
267 . 1 . 1 58 58 THR H H 1 8.0657 0.0000 . 1 . . . . . 271 THR H . 52218 1
268 . 1 . 1 58 58 THR C C 13 175.8194 0.0000 . 1 . . . . . 271 THR C . 52218 1
269 . 1 . 1 58 58 THR CA C 13 61.6865 0.0000 . 1 . . . . . 271 THR CA . 52218 1
270 . 1 . 1 58 58 THR CB C 13 68.6012 0.0000 . 1 . . . . . 271 THR CB . 52218 1
271 . 1 . 1 58 58 THR N N 15 112.9941 0.0000 . 1 . . . . . 271 THR N . 52218 1
272 . 1 . 1 59 59 GLY H H 1 8.3808 0.0000 . 1 . . . . . 272 GLY H . 52218 1
273 . 1 . 1 59 59 GLY C C 13 173.2938 0.0000 . 1 . . . . . 272 GLY C . 52218 1
274 . 1 . 1 59 59 GLY CA C 13 45.1612 0.0000 . 1 . . . . . 272 GLY CA . 52218 1
275 . 1 . 1 59 59 GLY N N 15 111.9295 0.0000 . 1 . . . . . 272 GLY N . 52218 1
276 . 1 . 1 60 60 ASP H H 1 7.5291 0.0000 . 1 . . . . . 273 ASP H . 52218 1
277 . 1 . 1 60 60 ASP C C 13 173.5941 0.0000 . 1 . . . . . 273 ASP C . 52218 1
278 . 1 . 1 60 60 ASP CA C 13 52.0449 0.0000 . 1 . . . . . 273 ASP CA . 52218 1
279 . 1 . 1 60 60 ASP CB C 13 40.4810 0.0000 . 1 . . . . . 273 ASP CB . 52218 1
280 . 1 . 1 60 60 ASP N N 15 118.1472 0.0000 . 1 . . . . . 273 ASP N . 52218 1
281 . 1 . 1 61 61 VAL H H 1 8.6890 0.0000 . 1 . . . . . 274 VAL H . 52218 1
282 . 1 . 1 61 61 VAL C C 13 173.7077 0.0000 . 1 . . . . . 274 VAL C . 52218 1
283 . 1 . 1 61 61 VAL CA C 13 61.1352 0.0000 . 1 . . . . . 274 VAL CA . 52218 1
284 . 1 . 1 61 61 VAL CB C 13 32.8762 0.0000 . 1 . . . . . 274 VAL CB . 52218 1
285 . 1 . 1 61 61 VAL N N 15 125.5747 0.0000 . 1 . . . . . 274 VAL N . 52218 1
286 . 1 . 1 62 62 ASP H H 1 8.0039 0.0000 . 1 . . . . . 275 ASP H . 52218 1
287 . 1 . 1 62 62 ASP C C 13 171.7761 0.0000 . 1 . . . . . 275 ASP C . 52218 1
288 . 1 . 1 62 62 ASP CA C 13 49.4194 0.0000 . 1 . . . . . 275 ASP CA . 52218 1
289 . 1 . 1 62 62 ASP CB C 13 39.9476 0.0000 . 1 . . . . . 275 ASP CB . 52218 1
290 . 1 . 1 62 62 ASP N N 15 122.4236 0.0000 . 1 . . . . . 275 ASP N . 52218 1
291 . 1 . 1 63 63 ARG H H 1 7.6828 0.0000 . 1 . . . . . 276 ARG H . 52218 1
292 . 1 . 1 63 63 ARG C C 13 174.9312 0.0000 . 1 . . . . . 276 ARG C . 52218 1
293 . 1 . 1 63 63 ARG CA C 13 54.0198 0.0000 . 1 . . . . . 276 ARG CA . 52218 1
294 . 1 . 1 63 63 ARG CB C 13 33.0002 0.0000 . 1 . . . . . 276 ARG CB . 52218 1
295 . 1 . 1 63 63 ARG N N 15 116.2949 0.0000 . 1 . . . . . 276 ARG N . 52218 1
296 . 1 . 1 64 64 ALA H H 1 9.1046 0.0000 . 1 . . . . . 277 ALA H . 52218 1
297 . 1 . 1 64 64 ALA C C 13 175.1427 0.0000 . 1 . . . . . 277 ALA C . 52218 1
298 . 1 . 1 64 64 ALA CA C 13 48.7252 0.0000 . 1 . . . . . 277 ALA CA . 52218 1
299 . 1 . 1 64 64 ALA CB C 13 21.8745 0.0000 . 1 . . . . . 277 ALA CB . 52218 1
300 . 1 . 1 64 64 ALA N N 15 126.7004 0.0000 . 1 . . . . . 277 ALA N . 52218 1
301 . 1 . 1 65 65 VAL H H 1 7.8709 0.0000 . 1 . . . . . 278 VAL H . 52218 1
302 . 1 . 1 65 65 VAL C C 13 170.9447 0.0000 . 1 . . . . . 278 VAL C . 52218 1
303 . 1 . 1 65 65 VAL CA C 13 57.9592 0.0000 . 1 . . . . . 278 VAL CA . 52218 1
304 . 1 . 1 65 65 VAL CB C 13 33.4563 0.0000 . 1 . . . . . 278 VAL CB . 52218 1
305 . 1 . 1 65 65 VAL N N 15 117.8948 0.0000 . 1 . . . . . 278 VAL N . 52218 1
306 . 1 . 1 66 66 TYR H H 1 8.4718 0.0000 . 1 . . . . . 279 TYR H . 52218 1
307 . 1 . 1 66 66 TYR C C 13 173.3257 0.0000 . 1 . . . . . 279 TYR C . 52218 1
308 . 1 . 1 66 66 TYR CA C 13 57.7321 0.0000 . 1 . . . . . 279 TYR CA . 52218 1
309 . 1 . 1 66 66 TYR CB C 13 42.3369 0.0000 . 1 . . . . . 279 TYR CB . 52218 1
310 . 1 . 1 66 66 TYR N N 15 120.1582 0.0000 . 1 . . . . . 279 TYR N . 52218 1
311 . 1 . 1 67 67 TRP H H 1 9.6122 0.0000 . 1 . . . . . 280 TRP H . 52218 1
312 . 1 . 1 67 67 TRP C C 13 173.8442 0.0000 . 1 . . . . . 280 TRP C . 52218 1
313 . 1 . 1 67 67 TRP CA C 13 54.3521 0.0000 . 1 . . . . . 280 TRP CA . 52218 1
314 . 1 . 1 67 67 TRP CB C 13 30.0923 0.0000 . 1 . . . . . 280 TRP CB . 52218 1
315 . 1 . 1 67 67 TRP N N 15 117.2622 0.0000 . 1 . . . . . 280 TRP N . 52218 1
316 . 1 . 1 68 68 HIS H H 1 7.6831 0.0000 . 1 . . . . . 281 HIS H . 52218 1
317 . 1 . 1 68 68 HIS C C 13 173.6889 0.0000 . 1 . . . . . 281 HIS C . 52218 1
318 . 1 . 1 68 68 HIS CA C 13 56.0782 0.0000 . 1 . . . . . 281 HIS CA . 52218 1
319 . 1 . 1 68 68 HIS CB C 13 34.9239 0.0000 . 1 . . . . . 281 HIS CB . 52218 1
320 . 1 . 1 68 68 HIS N N 15 115.2467 0.0000 . 1 . . . . . 281 HIS N . 52218 1
321 . 1 . 1 69 69 LEU H H 1 9.0770 0.0000 . 1 . . . . . 282 LEU H . 52218 1
322 . 1 . 1 69 69 LEU C C 13 175.1619 0.0000 . 1 . . . . . 282 LEU C . 52218 1
323 . 1 . 1 69 69 LEU CA C 13 51.8363 0.0000 . 1 . . . . . 282 LEU CA . 52218 1
324 . 1 . 1 69 69 LEU CB C 13 46.8785 0.0000 . 1 . . . . . 282 LEU CB . 52218 1
325 . 1 . 1 69 69 LEU N N 15 118.5291 0.0000 . 1 . . . . . 282 LEU N . 52218 1
326 . 1 . 1 70 70 LYS H H 1 8.9811 0.0000 . 1 . . . . . 283 LYS H . 52218 1
327 . 1 . 1 70 70 LYS C C 13 175.2428 0.0000 . 1 . . . . . 283 LYS C . 52218 1
328 . 1 . 1 70 70 LYS CA C 13 53.4114 0.0000 . 1 . . . . . 283 LYS CA . 52218 1
329 . 1 . 1 70 70 LYS CB C 13 34.0457 0.0000 . 1 . . . . . 283 LYS CB . 52218 1
330 . 1 . 1 70 70 LYS N N 15 122.1798 0.0000 . 1 . . . . . 283 LYS N . 52218 1
331 . 1 . 1 71 71 LYS H H 1 9.3160 0.0000 . 1 . . . . . 284 LYS H . 52218 1
332 . 1 . 1 71 71 LYS C C 13 175.2949 0.0000 . 1 . . . . . 284 LYS C . 52218 1
333 . 1 . 1 71 71 LYS CA C 13 53.8987 0.0000 . 1 . . . . . 284 LYS CA . 52218 1
334 . 1 . 1 71 71 LYS CB C 13 32.4825 0.0000 . 1 . . . . . 284 LYS CB . 52218 1
335 . 1 . 1 71 71 LYS N N 15 128.2738 0.0000 . 1 . . . . . 284 LYS N . 52218 1
336 . 1 . 1 72 72 PHE H H 1 9.4308 0.0000 . 1 . . . . . 285 PHE H . 52218 1
337 . 1 . 1 72 72 PHE C C 13 174.8778 0.0000 . 1 . . . . . 285 PHE C . 52218 1
338 . 1 . 1 72 72 PHE CA C 13 56.2130 0.0000 . 1 . . . . . 285 PHE CA . 52218 1
339 . 1 . 1 72 72 PHE CB C 13 39.9267 0.0000 . 1 . . . . . 285 PHE CB . 52218 1
340 . 1 . 1 72 72 PHE N N 15 129.8267 0.0000 . 1 . . . . . 285 PHE N . 52218 1
341 . 1 . 1 73 73 ALA H H 1 8.9968 0.0000 . 1 . . . . . 286 ALA H . 52218 1
342 . 1 . 1 73 73 ALA C C 13 177.8949 0.0000 . 1 . . . . . 286 ALA C . 52218 1
343 . 1 . 1 73 73 ALA CA C 13 52.0596 0.0000 . 1 . . . . . 286 ALA CA . 52218 1
344 . 1 . 1 73 73 ALA CB C 13 19.4567 0.0000 . 1 . . . . . 286 ALA CB . 52218 1
345 . 1 . 1 73 73 ALA N N 15 124.6476 0.0000 . 1 . . . . . 286 ALA N . 52218 1
346 . 1 . 1 74 74 GLY H H 1 8.4252 0.0000 . 1 . . . . . 287 GLY H . 52218 1
347 . 1 . 1 74 74 GLY C C 13 173.1201 0.0000 . 1 . . . . . 287 GLY C . 52218 1
348 . 1 . 1 74 74 GLY CA C 13 43.5989 0.0000 . 1 . . . . . 287 GLY CA . 52218 1
349 . 1 . 1 74 74 GLY N N 15 104.4600 0.0000 . 1 . . . . . 287 GLY N . 52218 1
350 . 1 . 1 75 75 ASN H H 1 7.1424 0.0000 . 1 . . . . . 288 ASN H . 52218 1
351 . 1 . 1 75 75 ASN C C 13 175.6609 0.0000 . 1 . . . . . 288 ASN C . 52218 1
352 . 1 . 1 75 75 ASN CA C 13 50.7518 0.0000 . 1 . . . . . 288 ASN CA . 52218 1
353 . 1 . 1 75 75 ASN CB C 13 38.8577 0.0000 . 1 . . . . . 288 ASN CB . 52218 1
354 . 1 . 1 75 75 ASN N N 15 116.2289 0.0000 . 1 . . . . . 288 ASN N . 52218 1
355 . 1 . 1 76 76 ALA H H 1 8.2971 0.0000 . 1 . . . . . 289 ALA H . 52218 1
356 . 1 . 1 76 76 ALA C C 13 179.6727 0.0000 . 1 . . . . . 289 ALA C . 52218 1
357 . 1 . 1 76 76 ALA CA C 13 54.8180 0.0000 . 1 . . . . . 289 ALA CA . 52218 1
358 . 1 . 1 76 76 ALA CB C 13 17.4749 0.0000 . 1 . . . . . 289 ALA CB . 52218 1
359 . 1 . 1 76 76 ALA N N 15 118.5938 0.0000 . 1 . . . . . 289 ALA N . 52218 1
360 . 1 . 1 77 77 GLY H H 1 7.9960 0.0000 . 1 . . . . . 290 GLY H . 52218 1
361 . 1 . 1 77 77 GLY C C 13 174.9620 0.0000 . 1 . . . . . 290 GLY C . 52218 1
362 . 1 . 1 77 77 GLY CA C 13 45.5836 0.0000 . 1 . . . . . 290 GLY CA . 52218 1
363 . 1 . 1 77 77 GLY N N 15 102.7387 0.0000 . 1 . . . . . 290 GLY N . 52218 1
364 . 1 . 1 78 78 THR H H 1 7.4413 0.0000 . 1 . . . . . 291 THR H . 52218 1
365 . 1 . 1 78 78 THR C C 13 173.8200 0.0000 . 1 . . . . . 291 THR C . 52218 1
366 . 1 . 1 78 78 THR CA C 13 58.7957 0.0000 . 1 . . . . . 291 THR CA . 52218 1
367 . 1 . 1 78 78 THR CB C 13 69.0697 0.0000 . 1 . . . . . 291 THR CB . 52218 1
368 . 1 . 1 78 78 THR N N 15 116.3398 0.0000 . 1 . . . . . 291 THR N . 52218 1
369 . 1 . 1 79 79 PRO C C 13 178.3065 0.0000 . 1 . . . . . 292 PRO C . 52218 1
370 . 1 . 1 79 79 PRO CA C 13 65.0842 0.0000 . 1 . . . . . 292 PRO CA . 52218 1
371 . 1 . 1 79 79 PRO CB C 13 30.9857 0.0000 . 1 . . . . . 292 PRO CB . 52218 1
372 . 1 . 1 80 80 ALA H H 1 7.7875 0.0000 . 1 . . . . . 293 ALA H . 52218 1
373 . 1 . 1 80 80 ALA C C 13 176.8003 0.0000 . 1 . . . . . 293 ALA C . 52218 1
374 . 1 . 1 80 80 ALA CA C 13 51.6669 0.0000 . 1 . . . . . 293 ALA CA . 52218 1
375 . 1 . 1 80 80 ALA CB C 13 17.7379 0.0000 . 1 . . . . . 293 ALA CB . 52218 1
376 . 1 . 1 80 80 ALA N N 15 117.1776 0.0000 . 1 . . . . . 293 ALA N . 52218 1
377 . 1 . 1 81 81 GLY H H 1 7.0802 0.0000 . 1 . . . . . 294 GLY H . 52218 1
378 . 1 . 1 81 81 GLY C C 13 173.2888 0.0000 . 1 . . . . . 294 GLY C . 52218 1
379 . 1 . 1 81 81 GLY CA C 13 44.3922 0.0000 . 1 . . . . . 294 GLY CA . 52218 1
380 . 1 . 1 81 81 GLY N N 15 101.6706 0.0000 . 1 . . . . . 294 GLY N . 52218 1
381 . 1 . 1 82 82 TRP H H 1 8.6660 0.0000 . 1 . . . . . 295 TRP H . 52218 1
382 . 1 . 1 82 82 TRP C C 13 174.0559 0.0000 . 1 . . . . . 295 TRP C . 52218 1
383 . 1 . 1 82 82 TRP CA C 13 58.1942 0.0000 . 1 . . . . . 295 TRP CA . 52218 1
384 . 1 . 1 82 82 TRP CB C 13 34.7996 0.0000 . 1 . . . . . 295 TRP CB . 52218 1
385 . 1 . 1 82 82 TRP N N 15 118.3421 0.0000 . 1 . . . . . 295 TRP N . 52218 1
386 . 1 . 1 83 83 PHE H H 1 8.7131 0.0000 . 1 . . . . . 296 PHE H . 52218 1
387 . 1 . 1 83 83 PHE C C 13 175.2735 0.0000 . 1 . . . . . 296 PHE C . 52218 1
388 . 1 . 1 83 83 PHE CA C 13 57.0341 0.0000 . 1 . . . . . 296 PHE CA . 52218 1
389 . 1 . 1 83 83 PHE CB C 13 42.9233 0.0000 . 1 . . . . . 296 PHE CB . 52218 1
390 . 1 . 1 83 83 PHE N N 15 115.0225 0.0000 . 1 . . . . . 296 PHE N . 52218 1
391 . 1 . 1 84 84 ARG H H 1 8.6073 0.0000 . 1 . . . . . 297 ARG H . 52218 1
392 . 1 . 1 84 84 ARG C C 13 176.3407 0.0000 . 1 . . . . . 297 ARG C . 52218 1
393 . 1 . 1 84 84 ARG CA C 13 55.1498 0.0000 . 1 . . . . . 297 ARG CA . 52218 1
394 . 1 . 1 84 84 ARG CB C 13 31.5521 0.0000 . 1 . . . . . 297 ARG CB . 52218 1
395 . 1 . 1 84 84 ARG N N 15 114.4234 0.0000 . 1 . . . . . 297 ARG N . 52218 1
396 . 1 . 1 85 85 TRP H H 1 6.3545 0.0000 . 1 . . . . . 298 TRP H . 52218 1
397 . 1 . 1 85 85 TRP C C 13 176.0976 0.0000 . 1 . . . . . 298 TRP C . 52218 1
398 . 1 . 1 85 85 TRP CA C 13 55.5103 0.0000 . 1 . . . . . 298 TRP CA . 52218 1
399 . 1 . 1 85 85 TRP CB C 13 29.6349 0.0000 . 1 . . . . . 298 TRP CB . 52218 1
400 . 1 . 1 85 85 TRP N N 15 117.8841 0.0000 . 1 . . . . . 298 TRP N . 52218 1
401 . 1 . 1 86 86 GLY H H 1 8.3884 0.0000 . 1 . . . . . 299 GLY H . 52218 1
402 . 1 . 1 86 86 GLY C C 13 171.6878 0.0000 . 1 . . . . . 299 GLY C . 52218 1
403 . 1 . 1 86 86 GLY CA C 13 46.8409 0.0000 . 1 . . . . . 299 GLY CA . 52218 1
404 . 1 . 1 86 86 GLY N N 15 106.6044 0.0000 . 1 . . . . . 299 GLY N . 52218 1
405 . 1 . 1 87 87 ILE H H 1 8.7309 0.0000 . 1 . . . . . 300 ILE H . 52218 1
406 . 1 . 1 87 87 ILE C C 13 174.3205 0.0000 . 1 . . . . . 300 ILE C . 52218 1
407 . 1 . 1 87 87 ILE CA C 13 61.0971 0.0000 . 1 . . . . . 300 ILE CA . 52218 1
408 . 1 . 1 87 87 ILE CB C 13 41.2586 0.0000 . 1 . . . . . 300 ILE CB . 52218 1
409 . 1 . 1 87 87 ILE N N 15 121.4566 0.0000 . 1 . . . . . 300 ILE N . 52218 1
410 . 1 . 1 88 88 TRP H H 1 6.7318 0.0000 . 1 . . . . . 301 TRP H . 52218 1
411 . 1 . 1 88 88 TRP C C 13 172.9532 0.0000 . 1 . . . . . 301 TRP C . 52218 1
412 . 1 . 1 88 88 TRP CA C 13 53.8305 0.0000 . 1 . . . . . 301 TRP CA . 52218 1
413 . 1 . 1 88 88 TRP CB C 13 29.9465 0.0000 . 1 . . . . . 301 TRP CB . 52218 1
414 . 1 . 1 88 88 TRP N N 15 127.2091 0.0000 . 1 . . . . . 301 TRP N . 52218 1
415 . 1 . 1 89 89 ASP H H 1 8.1293 0.0000 . 1 . . . . . 302 ASP H . 52218 1
416 . 1 . 1 89 89 ASP C C 13 175.6365 0.0000 . 1 . . . . . 302 ASP C . 52218 1
417 . 1 . 1 89 89 ASP CA C 13 51.3209 0.0000 . 1 . . . . . 302 ASP CA . 52218 1
418 . 1 . 1 89 89 ASP CB C 13 41.0385 0.0000 . 1 . . . . . 302 ASP CB . 52218 1
419 . 1 . 1 89 89 ASP N N 15 126.7051 0.0000 . 1 . . . . . 302 ASP N . 52218 1
420 . 1 . 1 90 90 ASN H H 1 8.0234 0.0000 . 1 . . . . . 303 ASN H . 52218 1
421 . 1 . 1 90 90 ASN C C 13 174.9913 0.0000 . 1 . . . . . 303 ASN C . 52218 1
422 . 1 . 1 90 90 ASN CA C 13 54.7288 0.0000 . 1 . . . . . 303 ASN CA . 52218 1
423 . 1 . 1 90 90 ASN CB C 13 37.8701 0.0000 . 1 . . . . . 303 ASN CB . 52218 1
424 . 1 . 1 90 90 ASN N N 15 120.3916 0.0000 . 1 . . . . . 303 ASN N . 52218 1
425 . 1 . 1 91 91 PHE H H 1 8.2233 0.0000 . 1 . . . . . 304 PHE H . 52218 1
426 . 1 . 1 91 91 PHE C C 13 176.6634 0.0000 . 1 . . . . . 304 PHE C . 52218 1
427 . 1 . 1 91 91 PHE CA C 13 59.5568 0.0000 . 1 . . . . . 304 PHE CA . 52218 1
428 . 1 . 1 91 91 PHE CB C 13 38.4376 0.0000 . 1 . . . . . 304 PHE CB . 52218 1
429 . 1 . 1 91 91 PHE N N 15 119.0751 0.0000 . 1 . . . . . 304 PHE N . 52218 1
430 . 1 . 1 92 92 ASN H H 1 7.7063 0.0000 . 1 . . . . . 305 ASN H . 52218 1
431 . 1 . 1 92 92 ASN C C 13 174.2806 0.0000 . 1 . . . . . 305 ASN C . 52218 1
432 . 1 . 1 92 92 ASN CA C 13 52.5441 0.0000 . 1 . . . . . 305 ASN CA . 52218 1
433 . 1 . 1 92 92 ASN CB C 13 38.4630 0.0000 . 1 . . . . . 305 ASN CB . 52218 1
434 . 1 . 1 92 92 ASN N N 15 115.2262 0.0000 . 1 . . . . . 305 ASN N . 52218 1
435 . 1 . 1 93 93 LYS H H 1 7.5634 0.0000 . 1 . . . . . 306 LYS H . 52218 1
436 . 1 . 1 93 93 LYS C C 13 174.9099 0.0000 . 1 . . . . . 306 LYS C . 52218 1
437 . 1 . 1 93 93 LYS CA C 13 55.9041 0.0000 . 1 . . . . . 306 LYS CA . 52218 1
438 . 1 . 1 93 93 LYS CB C 13 27.2984 0.0000 . 1 . . . . . 306 LYS CB . 52218 1
439 . 1 . 1 93 93 LYS N N 15 116.6484 0.0000 . 1 . . . . . 306 LYS N . 52218 1
440 . 1 . 1 94 94 THR H H 1 6.4702 0.0000 . 1 . . . . . 307 THR H . 52218 1
441 . 1 . 1 94 94 THR C C 13 172.3039 0.0000 . 1 . . . . . 307 THR C . 52218 1
442 . 1 . 1 94 94 THR CA C 13 58.7329 0.0000 . 1 . . . . . 307 THR CA . 52218 1
443 . 1 . 1 94 94 THR CB C 13 71.5299 0.0000 . 1 . . . . . 307 THR CB . 52218 1
444 . 1 . 1 94 94 THR N N 15 107.2294 0.0000 . 1 . . . . . 307 THR N . 52218 1
445 . 1 . 1 95 95 PHE H H 1 9.0963 0.0000 . 1 . . . . . 308 PHE H . 52218 1
446 . 1 . 1 95 95 PHE C C 13 175.1868 0.0000 . 1 . . . . . 308 PHE C . 52218 1
447 . 1 . 1 95 95 PHE CA C 13 55.7740 0.0000 . 1 . . . . . 308 PHE CA . 52218 1
448 . 1 . 1 95 95 PHE CB C 13 42.6549 0.0000 . 1 . . . . . 308 PHE CB . 52218 1
449 . 1 . 1 95 95 PHE N N 15 125.2179 0.0000 . 1 . . . . . 308 PHE N . 52218 1
450 . 1 . 1 96 96 THR H H 1 8.2601 0.0000 . 1 . . . . . 309 THR H . 52218 1
451 . 1 . 1 96 96 THR C C 13 172.5529 0.0000 . 1 . . . . . 309 THR C . 52218 1
452 . 1 . 1 96 96 THR CA C 13 60.5775 0.0000 . 1 . . . . . 309 THR CA . 52218 1
453 . 1 . 1 96 96 THR CB C 13 70.2899 0.0000 . 1 . . . . . 309 THR CB . 52218 1
454 . 1 . 1 96 96 THR N N 15 125.4244 0.0000 . 1 . . . . . 309 THR N . 52218 1
455 . 1 . 1 97 97 ASP H H 1 8.8489 0.0000 . 1 . . . . . 310 ASP H . 52218 1
456 . 1 . 1 97 97 ASP C C 13 177.6149 0.0000 . 1 . . . . . 310 ASP C . 52218 1
457 . 1 . 1 97 97 ASP CA C 13 55.4164 0.0000 . 1 . . . . . 310 ASP CA . 52218 1
458 . 1 . 1 97 97 ASP CB C 13 39.8523 0.0000 . 1 . . . . . 310 ASP CB . 52218 1
459 . 1 . 1 97 97 ASP N N 15 128.7558 0.0000 . 1 . . . . . 310 ASP N . 52218 1
460 . 1 . 1 98 98 GLY H H 1 8.5067 0.0000 . 1 . . . . . 311 GLY H . 52218 1
461 . 1 . 1 98 98 GLY C C 13 171.2107 0.0000 . 1 . . . . . 311 GLY C . 52218 1
462 . 1 . 1 98 98 GLY CA C 13 43.4237 0.0000 . 1 . . . . . 311 GLY CA . 52218 1
463 . 1 . 1 98 98 GLY N N 15 107.1983 0.0000 . 1 . . . . . 311 GLY N . 52218 1
464 . 1 . 1 99 99 VAL H H 1 7.9451 0.0000 . 1 . . . . . 312 VAL H . 52218 1
465 . 1 . 1 99 99 VAL C C 13 172.7074 0.0000 . 1 . . . . . 312 VAL C . 52218 1
466 . 1 . 1 99 99 VAL CA C 13 60.8507 0.0000 . 1 . . . . . 312 VAL CA . 52218 1
467 . 1 . 1 99 99 VAL CB C 13 32.3743 0.0000 . 1 . . . . . 312 VAL CB . 52218 1
468 . 1 . 1 99 99 VAL N N 15 119.0942 0.0000 . 1 . . . . . 312 VAL N . 52218 1
469 . 1 . 1 100 100 ALA H H 1 7.8727 0.0000 . 1 . . . . . 313 ALA H . 52218 1
470 . 1 . 1 100 100 ALA C C 13 177.9699 0.0000 . 1 . . . . . 313 ALA C . 52218 1
471 . 1 . 1 100 100 ALA CA C 13 51.8870 0.0000 . 1 . . . . . 313 ALA CA . 52218 1
472 . 1 . 1 100 100 ALA CB C 13 18.6703 0.0000 . 1 . . . . . 313 ALA CB . 52218 1
473 . 1 . 1 100 100 ALA N N 15 125.6791 0.0000 . 1 . . . . . 313 ALA N . 52218 1
474 . 1 . 1 101 101 TYR H H 1 9.7783 0.0000 . 1 . . . . . 314 TYR H . 52218 1
475 . 1 . 1 101 101 TYR C C 13 176.5289 0.0000 . 1 . . . . . 314 TYR C . 52218 1
476 . 1 . 1 101 101 TYR CA C 13 57.1322 0.0000 . 1 . . . . . 314 TYR CA . 52218 1
477 . 1 . 1 101 101 TYR CB C 13 38.3086 0.0000 . 1 . . . . . 314 TYR CB . 52218 1
478 . 1 . 1 101 101 TYR N N 15 123.0029 0.0000 . 1 . . . . . 314 TYR N . 52218 1
479 . 1 . 1 102 102 TYR H H 1 8.2489 0.0000 . 1 . . . . . 315 TYR H . 52218 1
480 . 1 . 1 102 102 TYR C C 13 171.2047 0.0000 . 1 . . . . . 315 TYR C . 52218 1
481 . 1 . 1 102 102 TYR CA C 13 54.6056 0.0000 . 1 . . . . . 315 TYR CA . 52218 1
482 . 1 . 1 102 102 TYR CB C 13 39.4549 0.0000 . 1 . . . . . 315 TYR CB . 52218 1
483 . 1 . 1 102 102 TYR N N 15 133.6700 0.0000 . 1 . . . . . 315 TYR N . 52218 1
484 . 1 . 1 103 103 SER H H 1 7.6763 0.0000 . 1 . . . . . 316 SER H . 52218 1
485 . 1 . 1 103 103 SER C C 13 174.1784 0.0000 . 1 . . . . . 316 SER C . 52218 1
486 . 1 . 1 103 103 SER CA C 13 56.9665 0.0000 . 1 . . . . . 316 SER CA . 52218 1
487 . 1 . 1 103 103 SER CB C 13 62.5960 0.0000 . 1 . . . . . 316 SER CB . 52218 1
488 . 1 . 1 103 103 SER N N 15 120.0085 0.0000 . 1 . . . . . 316 SER N . 52218 1
489 . 1 . 1 104 104 ASP H H 1 9.4066 0.0000 . 1 . . . . . 317 ASP H . 52218 1
490 . 1 . 1 104 104 ASP C C 13 173.8549 0.0000 . 1 . . . . . 317 ASP C . 52218 1
491 . 1 . 1 104 104 ASP CA C 13 52.4419 0.0000 . 1 . . . . . 317 ASP CA . 52218 1
492 . 1 . 1 104 104 ASP CB C 13 38.9220 0.0000 . 1 . . . . . 317 ASP CB . 52218 1
493 . 1 . 1 104 104 ASP N N 15 128.9972 0.0000 . 1 . . . . . 317 ASP N . 52218 1
494 . 1 . 1 105 105 GLU H H 1 8.8250 0.0000 . 1 . . . . . 318 GLU H . 52218 1
495 . 1 . 1 105 105 GLU C C 13 175.7301 0.0000 . 1 . . . . . 318 GLU C . 52218 1
496 . 1 . 1 105 105 GLU CA C 13 56.1774 0.0000 . 1 . . . . . 318 GLU CA . 52218 1
497 . 1 . 1 105 105 GLU CB C 13 26.0192 0.0000 . 1 . . . . . 318 GLU CB . 52218 1
498 . 1 . 1 105 105 GLU N N 15 114.5754 0.0000 . 1 . . . . . 318 GLU N . 52218 1
499 . 1 . 1 106 106 GLN H H 1 9.3069 0.0000 . 1 . . . . . 319 GLN H . 52218 1
500 . 1 . 1 106 106 GLN C C 13 174.5193 0.0000 . 1 . . . . . 319 GLN C . 52218 1
501 . 1 . 1 106 106 GLN CA C 13 56.4835 0.0000 . 1 . . . . . 319 GLN CA . 52218 1
502 . 1 . 1 106 106 GLN CB C 13 26.1751 0.0000 . 1 . . . . . 319 GLN CB . 52218 1
503 . 1 . 1 106 106 GLN N N 15 118.7869 0.0000 . 1 . . . . . 319 GLN N . 52218 1
504 . 1 . 1 107 107 PRO C C 13 175.3286 0.0000 . 1 . . . . . 320 PRO C . 52218 1
505 . 1 . 1 107 107 PRO CA C 13 57.5698 0.0000 . 1 . . . . . 320 PRO CA . 52218 1
506 . 1 . 1 107 107 PRO CB C 13 35.1100 0.0000 . 1 . . . . . 320 PRO CB . 52218 1
507 . 1 . 1 108 108 ARG H H 1 8.3199 0.0000 . 1 . . . . . 321 ARG H . 52218 1
508 . 1 . 1 108 108 ARG C C 13 175.3327 0.0000 . 1 . . . . . 321 ARG C . 52218 1
509 . 1 . 1 108 108 ARG CA C 13 53.9548 0.0000 . 1 . . . . . 321 ARG CA . 52218 1
510 . 1 . 1 108 108 ARG CB C 13 34.8723 0.0000 . 1 . . . . . 321 ARG CB . 52218 1
511 . 1 . 1 108 108 ARG N N 15 120.5750 0.0000 . 1 . . . . . 321 ARG N . 52218 1
512 . 1 . 1 109 109 GLN H H 1 10.3189 0.0000 . 1 . . . . . 322 GLN H . 52218 1
513 . 1 . 1 109 109 GLN C C 13 174.2606 0.0000 . 1 . . . . . 322 GLN C . 52218 1
514 . 1 . 1 109 109 GLN CA C 13 61.2646 0.0000 . 1 . . . . . 322 GLN CA . 52218 1
515 . 1 . 1 109 109 GLN CB C 13 37.2962 0.0000 . 1 . . . . . 322 GLN CB . 52218 1
516 . 1 . 1 109 109 GLN N N 15 123.8607 0.0000 . 1 . . . . . 322 GLN N . 52218 1
517 . 1 . 1 110 110 ILE H H 1 8.8062 0.0000 . 1 . . . . . 323 ILE H . 52218 1
518 . 1 . 1 110 110 ILE C C 13 178.4069 0.0000 . 1 . . . . . 323 ILE C . 52218 1
519 . 1 . 1 110 110 ILE CA C 13 55.9556 0.0000 . 1 . . . . . 323 ILE CA . 52218 1
520 . 1 . 1 110 110 ILE CB C 13 40.9169 0.0000 . 1 . . . . . 323 ILE CB . 52218 1
521 . 1 . 1 110 110 ILE N N 15 125.1036 0.0000 . 1 . . . . . 323 ILE N . 52218 1
522 . 1 . 1 111 111 LEU H H 1 6.6235 0.0000 . 1 . . . . . 324 LEU H . 52218 1
523 . 1 . 1 111 111 LEU C C 13 174.0260 0.0000 . 1 . . . . . 324 LEU C . 52218 1
524 . 1 . 1 111 111 LEU CA C 13 49.6029 0.0000 . 1 . . . . . 324 LEU CA . 52218 1
525 . 1 . 1 111 111 LEU CB C 13 43.7701 0.0000 . 1 . . . . . 324 LEU CB . 52218 1
526 . 1 . 1 111 111 LEU N N 15 112.1236 0.0000 . 1 . . . . . 324 LEU N . 52218 1
527 . 1 . 1 113 113 PRO C C 13 175.4979 0.0000 . 1 . . . . . 326 PRO C . 52218 1
528 . 1 . 1 113 113 PRO CA C 13 60.9437 0.0000 . 1 . . . . . 326 PRO CA . 52218 1
529 . 1 . 1 113 113 PRO CB C 13 31.8529 0.0000 . 1 . . . . . 326 PRO CB . 52218 1
530 . 1 . 1 114 114 VAL H H 1 8.3693 0.0000 . 1 . . . . . 327 VAL H . 52218 1
531 . 1 . 1 114 114 VAL C C 13 175.9508 0.0000 . 1 . . . . . 327 VAL C . 52218 1
532 . 1 . 1 114 114 VAL CA C 13 63.9820 0.0000 . 1 . . . . . 327 VAL CA . 52218 1
533 . 1 . 1 114 114 VAL CB C 13 30.9816 0.0000 . 1 . . . . . 327 VAL CB . 52218 1
534 . 1 . 1 114 114 VAL N N 15 120.0927 0.0000 . 1 . . . . . 327 VAL N . 52218 1
535 . 1 . 1 115 115 GLY H H 1 7.9209 0.0000 . 1 . . . . . 328 GLY H . 52218 1
536 . 1 . 1 115 115 GLY C C 13 174.6230 0.0000 . 1 . . . . . 328 GLY C . 52218 1
537 . 1 . 1 115 115 GLY CA C 13 44.1428 0.0000 . 1 . . . . . 328 GLY CA . 52218 1
538 . 1 . 1 115 115 GLY N N 15 113.6907 0.0000 . 1 . . . . . 328 GLY N . 52218 1
539 . 1 . 1 116 116 THR H H 1 7.7011 0.0000 . 1 . . . . . 329 THR H . 52218 1
540 . 1 . 1 116 116 THR C C 13 173.3034 0.0000 . 1 . . . . . 329 THR C . 52218 1
541 . 1 . 1 116 116 THR CA C 13 65.4743 0.0000 . 1 . . . . . 329 THR CA . 52218 1
542 . 1 . 1 116 116 THR CB C 13 67.6432 0.0000 . 1 . . . . . 329 THR CB . 52218 1
543 . 1 . 1 116 116 THR N N 15 121.0411 0.0000 . 1 . . . . . 329 THR N . 52218 1
544 . 1 . 1 117 117 VAL H H 1 9.0667 0.0000 . 1 . . . . . 330 VAL H . 52218 1
545 . 1 . 1 117 117 VAL C C 13 176.2519 0.0000 . 1 . . . . . 330 VAL C . 52218 1
546 . 1 . 1 117 117 VAL CA C 13 61.9689 0.0000 . 1 . . . . . 330 VAL CA . 52218 1
547 . 1 . 1 117 117 VAL CB C 13 31.5904 0.0000 . 1 . . . . . 330 VAL CB . 52218 1
548 . 1 . 1 117 117 VAL N N 15 129.5671 0.0000 . 1 . . . . . 330 VAL N . 52218 1
549 . 1 . 1 118 118 CYS H H 1 8.8355 0.0000 . 1 . . . . . 331 CYS H . 52218 1
550 . 1 . 1 118 118 CYS C C 13 174.6730 0.0000 . 1 . . . . . 331 CYS C . 52218 1
551 . 1 . 1 118 118 CYS CA C 13 56.2798 0.0000 . 1 . . . . . 331 CYS CA . 52218 1
552 . 1 . 1 118 118 CYS CB C 13 29.3365 0.0000 . 1 . . . . . 331 CYS CB . 52218 1
553 . 1 . 1 118 118 CYS N N 15 125.7391 0.0000 . 1 . . . . . 331 CYS N . 52218 1
554 . 1 . 1 119 119 THR H H 1 9.4540 0.0000 . 1 . . . . . 332 THR H . 52218 1
555 . 1 . 1 119 119 THR C C 13 173.8587 0.0000 . 1 . . . . . 332 THR C . 52218 1
556 . 1 . 1 119 119 THR CA C 13 60.8809 0.0000 . 1 . . . . . 332 THR CA . 52218 1
557 . 1 . 1 119 119 THR CB C 13 70.1344 0.0000 . 1 . . . . . 332 THR CB . 52218 1
558 . 1 . 1 119 119 THR N N 15 119.9010 0.0000 . 1 . . . . . 332 THR N . 52218 1
559 . 1 . 1 120 120 ARG H H 1 9.4407 0.0000 . 1 . . . . . 333 ARG H . 52218 1
560 . 1 . 1 120 120 ARG C C 13 177.4065 0.0000 . 1 . . . . . 333 ARG C . 52218 1
561 . 1 . 1 120 120 ARG CA C 13 57.0792 0.0000 . 1 . . . . . 333 ARG CA . 52218 1
562 . 1 . 1 120 120 ARG CB C 13 28.5684 0.0000 . 1 . . . . . 333 ARG CB . 52218 1
563 . 1 . 1 120 120 ARG N N 15 130.7473 0.0000 . 1 . . . . . 333 ARG N . 52218 1
564 . 1 . 1 121 121 VAL H H 1 8.5952 0.0000 . 1 . . . . . 334 VAL H . 52218 1
565 . 1 . 1 121 121 VAL C C 13 176.2908 0.0000 . 1 . . . . . 334 VAL C . 52218 1
566 . 1 . 1 121 121 VAL CA C 13 60.5725 0.0000 . 1 . . . . . 334 VAL CA . 52218 1
567 . 1 . 1 121 121 VAL CB C 13 32.7880 0.0000 . 1 . . . . . 334 VAL CB . 52218 1
568 . 1 . 1 121 121 VAL N N 15 116.5600 0.0000 . 1 . . . . . 334 VAL N . 52218 1
569 . 1 . 1 122 122 ASP H H 1 8.3263 0.0000 . 1 . . . . . 335 ASP H . 52218 1
570 . 1 . 1 122 122 ASP C C 13 175.0419 0.0000 . 1 . . . . . 335 ASP C . 52218 1
571 . 1 . 1 122 122 ASP CA C 13 54.3957 0.0000 . 1 . . . . . 335 ASP CA . 52218 1
572 . 1 . 1 122 122 ASP CB C 13 40.3374 0.0000 . 1 . . . . . 335 ASP CB . 52218 1
573 . 1 . 1 122 122 ASP N N 15 119.6254 0.0000 . 1 . . . . . 335 ASP N . 52218 1
574 . 1 . 1 123 123 SER H H 1 7.6621 0.0000 . 1 . . . . . 336 SER H . 52218 1
575 . 1 . 1 123 123 SER C C 13 174.0916 0.0000 . 1 . . . . . 336 SER C . 52218 1
576 . 1 . 1 123 123 SER CA C 13 57.1470 0.0000 . 1 . . . . . 336 SER CA . 52218 1
577 . 1 . 1 123 123 SER CB C 13 63.5831 0.0000 . 1 . . . . . 336 SER CB . 52218 1
578 . 1 . 1 123 123 SER N N 15 112.7046 0.0000 . 1 . . . . . 336 SER N . 52218 1
579 . 1 . 1 124 124 GLU H H 1 8.3020 0.0000 . 1 . . . . . 337 GLU H . 52218 1
580 . 1 . 1 124 124 GLU C C 13 175.4488 0.0000 . 1 . . . . . 337 GLU C . 52218 1
581 . 1 . 1 124 124 GLU CA C 13 56.2718 0.0000 . 1 . . . . . 337 GLU CA . 52218 1
582 . 1 . 1 124 124 GLU CB C 13 29.3072 0.0000 . 1 . . . . . 337 GLU CB . 52218 1
583 . 1 . 1 124 124 GLU N N 15 122.2378 0.0000 . 1 . . . . . 337 GLU N . 52218 1
584 . 1 . 1 125 125 ASN H H 1 8.0929 0.0000 . 1 . . . . . 338 ASN H . 52218 1
585 . 1 . 1 125 125 ASN C C 13 179.5201 0.0000 . 1 . . . . . 338 ASN C . 52218 1
586 . 1 . 1 125 125 ASN CA C 13 54.6484 0.0000 . 1 . . . . . 338 ASN CA . 52218 1
587 . 1 . 1 125 125 ASN CB C 13 39.8761 0.0000 . 1 . . . . . 338 ASN CB . 52218 1
588 . 1 . 1 125 125 ASN N N 15 124.0868 0.0000 . 1 . . . . . 338 ASN N . 52218 1
stop_
save_
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 52218
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'Protrusion domain_CS_2'
_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 $chem_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' . . . 52218 2
2 '3D HNCACB' . . . 52218 2
3 '3D HN(CA)CO' . . . 52218 2
4 '3D HNCO' . . . 52218 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $software_1 . . 52218 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 2 2 PRO C C 13 176.8200 0.0000 . 1 . . . . . 215 PRO C . 52218 2
2 . 1 . 1 2 2 PRO CA C 13 63.2900 0.0000 . 1 . . . . . 215 PRO CA . 52218 2
3 . 1 . 1 2 2 PRO CB C 13 31.2700 0.0000 . 1 . . . . . 215 PRO CB . 52218 2
4 . 1 . 1 3 3 GLU H H 1 8.6100 0.0000 . 1 . . . . . 216 GLU H . 52218 2
5 . 1 . 1 3 3 GLU C C 13 176.6400 0.0000 . 1 . . . . . 216 GLU C . 52218 2
6 . 1 . 1 3 3 GLU CA C 13 56.3800 0.0000 . 1 . . . . . 216 GLU CA . 52218 2
7 . 1 . 1 3 3 GLU CB C 13 28.9601 0.0000 . 1 . . . . . 216 GLU CB . 52218 2
8 . 1 . 1 3 3 GLU N N 15 120.4700 0.0000 . 1 . . . . . 216 GLU N . 52218 2
9 . 1 . 1 4 4 GLU H H 1 8.3200 0.0000 . 1 . . . . . 217 GLU H . 52218 2
10 . 1 . 1 4 4 GLU C C 13 176.6937 0.0000 . 1 . . . . . 217 GLU C . 52218 2
11 . 1 . 1 4 4 GLU CA C 13 55.9557 0.0000 . 1 . . . . . 217 GLU CA . 52218 2
12 . 1 . 1 4 4 GLU CB C 13 29.4600 0.0000 . 1 . . . . . 217 GLU CB . 52218 2
13 . 1 . 1 4 4 GLU N N 15 121.3896 0.0000 . 1 . . . . . 217 GLU N . 52218 2
14 . 1 . 1 5 5 THR H H 1 8.3600 0.0000 . 1 . . . . . 218 THR H . 52218 2
15 . 1 . 1 5 5 THR C C 13 174.7300 0.0000 . 1 . . . . . 218 THR C . 52218 2
16 . 1 . 1 5 5 THR CA C 13 61.4117 0.0000 . 1 . . . . . 218 THR CA . 52218 2
17 . 1 . 1 5 5 THR CB C 13 69.0770 0.0000 . 1 . . . . . 218 THR CB . 52218 2
18 . 1 . 1 5 5 THR N N 15 115.7700 0.0000 . 1 . . . . . 218 THR N . 52218 2
19 . 1 . 1 6 6 THR H H 1 8.2200 0.0000 . 1 . . . . . 219 THR H . 52218 2
20 . 1 . 1 6 6 THR C C 13 173.7700 0.0000 . 1 . . . . . 219 THR C . 52218 2
21 . 1 . 1 6 6 THR CA C 13 61.2700 0.0000 . 1 . . . . . 219 THR CA . 52218 2
22 . 1 . 1 6 6 THR CB C 13 69.0836 0.0000 . 1 . . . . . 219 THR CB . 52218 2
23 . 1 . 1 6 6 THR N N 15 116.8100 0.0000 . 1 . . . . . 219 THR N . 52218 2
24 . 1 . 1 7 7 ALA H H 1 8.2600 0.0000 . 1 . . . . . 220 ALA H . 52218 2
25 . 1 . 1 7 7 ALA C C 13 175.3699 0.0000 . 1 . . . . . 220 ALA C . 52218 2
26 . 1 . 1 7 7 ALA CA C 13 50.1936 0.0000 . 1 . . . . . 220 ALA CA . 52218 2
27 . 1 . 1 7 7 ALA CB C 13 17.5100 0.0000 . 1 . . . . . 220 ALA CB . 52218 2
28 . 1 . 1 7 7 ALA N N 15 128.1700 0.0000 . 1 . . . . . 220 ALA N . 52218 2
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