data_51487
#######################
# Entry information #
#######################
save_entry_information_1
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information_1
_Entry.ID 51487
_Entry.Title
;
Chemical Shift Assignments RECQ4(322-400)
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2022-06-10
_Entry.Accession_date 2022-06-10
_Entry.Last_release_date 2022-06-10
_Entry.Original_release_date 2022-06-10
_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 .
_Entry.Generated_software_label .
_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 Anna Papageorgiou . . . . 51487
2 Konstantinos Tripsianes . . . . 51487
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 51487
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 299 51487
'15N chemical shifts' 73 51487
'1H chemical shifts' 436 51487
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 . . 2023-10-27 . original BMRB . 51487
stop_
save_
###############
# Citations #
###############
save_citations_1
_Citation.Sf_category citations
_Citation.Sf_framecode citations_1
_Citation.Entry_ID 51487
_Citation.ID 1
_Citation.Name .
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.PubMed_ID 37875529
_Citation.DOI .
_Citation.Full_citation .
_Citation.Title
;
Recognition and coacervation of G-quadruplexes by a multifunctional disordered region in RECQ4 helicase
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Nat. Commun.'
_Citation.Journal_name_full 'Nature communications'
_Citation.Journal_volume 14
_Citation.Journal_issue 1
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 2041-1723
_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 6751
_Citation.Page_last 6751
_Citation.Year 2023
_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 Anna Papageorgiou A. C. . . 51487 1
2 Michaela Pospisilova M. . . . 51487 1
3 Jakub Cibulka J. . . . 51487 1
4 Raghib Ashraf R. . . . 51487 1
5 Christopher Waudby C. A. . . 51487 1
6 Pavel Kaderavek P. . . . 51487 1
7 Volha Maroz V. . . . 51487 1
8 Karel Kubicek K. . . . 51487 1
9 Zbynek Prokop Z. . . . 51487 1
10 Lumir Krejci L. . . . 51487 1
11 Konstantinos Tripsianes K. . . . 51487 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly_1
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly_1
_Assembly.Entry_ID 51487
_Assembly.ID 1
_Assembly.Name 'RECQ4 322-400'
_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 RECQ4 1 $entity_1 . . yes native no no . . . 51487 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 51487
_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
;
LSPSSQARAGKAEGTAPLHI
FPRLARHDRGNYVRLNMKQK
HYVRGRALRSRLLRKQAWKQ
KWRKKGECFGGGGATVTTK
;
_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 79
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not available'
_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_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
1 322 LEU . 51487 1
2 323 SER . 51487 1
3 324 PRO . 51487 1
4 325 SER . 51487 1
5 326 SER . 51487 1
6 327 GLN . 51487 1
7 328 ALA . 51487 1
8 329 ARG . 51487 1
9 330 ALA . 51487 1
10 331 GLY . 51487 1
11 332 LYS . 51487 1
12 333 ALA . 51487 1
13 334 GLU . 51487 1
14 335 GLY . 51487 1
15 336 THR . 51487 1
16 337 ALA . 51487 1
17 338 PRO . 51487 1
18 339 LEU . 51487 1
19 340 HIS . 51487 1
20 341 ILE . 51487 1
21 342 PHE . 51487 1
22 343 PRO . 51487 1
23 344 ARG . 51487 1
24 345 LEU . 51487 1
25 346 ALA . 51487 1
26 347 ARG . 51487 1
27 348 HIS . 51487 1
28 349 ASP . 51487 1
29 350 ARG . 51487 1
30 351 GLY . 51487 1
31 352 ASN . 51487 1
32 353 TYR . 51487 1
33 354 VAL . 51487 1
34 355 ARG . 51487 1
35 356 LEU . 51487 1
36 357 ASN . 51487 1
37 358 MET . 51487 1
38 359 LYS . 51487 1
39 360 GLN . 51487 1
40 361 LYS . 51487 1
41 362 HIS . 51487 1
42 363 TYR . 51487 1
43 364 VAL . 51487 1
44 365 ARG . 51487 1
45 366 GLY . 51487 1
46 367 ARG . 51487 1
47 368 ALA . 51487 1
48 369 LEU . 51487 1
49 370 ARG . 51487 1
50 371 SER . 51487 1
51 372 ARG . 51487 1
52 373 LEU . 51487 1
53 374 LEU . 51487 1
54 375 ARG . 51487 1
55 376 LYS . 51487 1
56 377 GLN . 51487 1
57 378 ALA . 51487 1
58 379 TRP . 51487 1
59 380 LYS . 51487 1
60 381 GLN . 51487 1
61 382 LYS . 51487 1
62 383 TRP . 51487 1
63 384 ARG . 51487 1
64 385 LYS . 51487 1
65 386 LYS . 51487 1
66 387 GLY . 51487 1
67 388 GLU . 51487 1
68 389 CYS . 51487 1
69 390 PHE . 51487 1
70 391 GLY . 51487 1
71 392 GLY . 51487 1
72 393 GLY . 51487 1
73 394 GLY . 51487 1
74 395 ALA . 51487 1
75 396 THR . 51487 1
76 397 VAL . 51487 1
77 398 THR . 51487 1
78 399 THR . 51487 1
79 400 LYS . 51487 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
. LEU 1 1 51487 1
. SER 2 2 51487 1
. PRO 3 3 51487 1
. SER 4 4 51487 1
. SER 5 5 51487 1
. GLN 6 6 51487 1
. ALA 7 7 51487 1
. ARG 8 8 51487 1
. ALA 9 9 51487 1
. GLY 10 10 51487 1
. LYS 11 11 51487 1
. ALA 12 12 51487 1
. GLU 13 13 51487 1
. GLY 14 14 51487 1
. THR 15 15 51487 1
. ALA 16 16 51487 1
. PRO 17 17 51487 1
. LEU 18 18 51487 1
. HIS 19 19 51487 1
. ILE 20 20 51487 1
. PHE 21 21 51487 1
. PRO 22 22 51487 1
. ARG 23 23 51487 1
. LEU 24 24 51487 1
. ALA 25 25 51487 1
. ARG 26 26 51487 1
. HIS 27 27 51487 1
. ASP 28 28 51487 1
. ARG 29 29 51487 1
. GLY 30 30 51487 1
. ASN 31 31 51487 1
. TYR 32 32 51487 1
. VAL 33 33 51487 1
. ARG 34 34 51487 1
. LEU 35 35 51487 1
. ASN 36 36 51487 1
. MET 37 37 51487 1
. LYS 38 38 51487 1
. GLN 39 39 51487 1
. LYS 40 40 51487 1
. HIS 41 41 51487 1
. TYR 42 42 51487 1
. VAL 43 43 51487 1
. ARG 44 44 51487 1
. GLY 45 45 51487 1
. ARG 46 46 51487 1
. ALA 47 47 51487 1
. LEU 48 48 51487 1
. ARG 49 49 51487 1
. SER 50 50 51487 1
. ARG 51 51 51487 1
. LEU 52 52 51487 1
. LEU 53 53 51487 1
. ARG 54 54 51487 1
. LYS 55 55 51487 1
. GLN 56 56 51487 1
. ALA 57 57 51487 1
. TRP 58 58 51487 1
. LYS 59 59 51487 1
. GLN 60 60 51487 1
. LYS 61 61 51487 1
. TRP 62 62 51487 1
. ARG 63 63 51487 1
. LYS 64 64 51487 1
. LYS 65 65 51487 1
. GLY 66 66 51487 1
. GLU 67 67 51487 1
. CYS 68 68 51487 1
. PHE 69 69 51487 1
. GLY 70 70 51487 1
. GLY 71 71 51487 1
. GLY 72 72 51487 1
. GLY 73 73 51487 1
. ALA 74 74 51487 1
. THR 75 75 51487 1
. VAL 76 76 51487 1
. THR 77 77 51487 1
. THR 78 78 51487 1
. LYS 79 79 51487 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 51487
_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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 51487 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 51487
_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 . . pET-M11 . . . 51487 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 51487
_Sample.ID 1
_Sample.Name '13C 15N sample'
_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 'RECQ4 322-400' '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 51487 1
2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 51487 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 51487
_Sample_condition_list.ID 1
_Sample_condition_list.Name NMR
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 0.1 . M 51487 1
pH 6.0 . pH 51487 1
pressure 1 . atm 51487 1
temperature 298 . K 51487 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 51487
_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
'data analysis' . 51487 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 51487
_Software.ID 2
_Software.Type .
_Software.Name TOPSPIN
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
collection . 51487 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 51487
_Software.ID 3
_Software.Type .
_Software.Name SSA
_Software.Version .
_Software.DOI .
_Software.Details .
loop_
_Task.Task
_Task.Software_module
_Task.Entry_ID
_Task.Software_ID
processing . 51487 3
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 51487
_NMR_spectrometer.ID 1
_NMR_spectrometer.Name 'Bruker 700'
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model 'AVANCE III'
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 700
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 51487
_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 no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51487 1
2 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51487 1
3 '3D HNCB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51487 1
4 '3D CBCA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51487 1
5 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51487 1
6 '3D HNCACO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51487 1
7 '4D HCNH TOCSY' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51487 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 51487
_Chem_shift_reference.ID 1
_Chem_shift_reference.Name RECQ4
_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 na indirect 0.251449530 . . . . . 51487 1
H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51487 1
N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 51487 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 51487
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name RECQ4
_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
2 '3D HNCA' . . . 51487 1
3 '3D HNCB' . . . 51487 1
4 '3D CBCA(CO)NH' . . . 51487 1
5 '3D HNCO' . . . 51487 1
6 '3D HNCACO' . . . 51487 1
7 '4D HCNH TOCSY' . . . 51487 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 . . 51487 1
2 $software_2 . . 51487 1
3 $software_3 . . 51487 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 1 1 LEU H H 1 8.142 0.020 . 1 . . . . . 322 LEU H . 51487 1
2 . 1 . 1 1 1 LEU HA H 1 4.383 0.020 . 1 . . . . . 322 LEU HA . 51487 1
3 . 1 . 1 1 1 LEU HB2 H 1 1.627 0.020 . 1 . . . . . 322 LEU HB2 . 51487 1
4 . 1 . 1 1 1 LEU HB3 H 1 1.573 0.020 . 1 . . . . . 322 LEU HB3 . 51487 1
5 . 1 . 1 1 1 LEU HG H 1 1.623 0.020 . 1 . . . . . 322 LEU HG . 51487 1
6 . 1 . 1 1 1 LEU HD11 H 1 0.924 0.020 . 2 . . . . . 322 LEU QD1 . 51487 1
7 . 1 . 1 1 1 LEU HD12 H 1 0.924 0.020 . 2 . . . . . 322 LEU QD1 . 51487 1
8 . 1 . 1 1 1 LEU HD13 H 1 0.924 0.020 . 2 . . . . . 322 LEU QD1 . 51487 1
9 . 1 . 1 1 1 LEU HD21 H 1 0.877 0.020 . 2 . . . . . 322 LEU QD2 . 51487 1
10 . 1 . 1 1 1 LEU HD22 H 1 0.877 0.020 . 2 . . . . . 322 LEU QD2 . 51487 1
11 . 1 . 1 1 1 LEU HD23 H 1 0.877 0.020 . 2 . . . . . 322 LEU QD2 . 51487 1
12 . 1 . 1 1 1 LEU C C 13 177.228 0.200 . 1 . . . . . 322 LEU C . 51487 1
13 . 1 . 1 1 1 LEU CA C 13 54.993 0.200 . 1 . . . . . 322 LEU CA . 51487 1
14 . 1 . 1 1 1 LEU CB C 13 42.663 0.009 . 1 . . . . . 322 LEU CB . 51487 1
15 . 1 . 1 1 1 LEU CG C 13 26.888 0.200 . 1 . . . . . 322 LEU CG . 51487 1
16 . 1 . 1 1 1 LEU CD1 C 13 24.894 0.200 . 1 . . . . . 322 LEU CD1 . 51487 1
17 . 1 . 1 1 1 LEU CD2 C 13 23.675 0.200 . 1 . . . . . 322 LEU CD2 . 51487 1
18 . 1 . 1 1 1 LEU N N 15 121.654 0.002 . 1 . . . . . 322 LEU N . 51487 1
19 . 1 . 1 2 2 SER H H 1 8.260 0.003 . 1 . . . . . 323 SER H . 51487 1
20 . 1 . 1 2 2 SER C C 13 173.179 0.200 . 1 . . . . . 323 SER C . 51487 1
21 . 1 . 1 2 2 SER CA C 13 56.360 0.200 . 1 . . . . . 323 SER CA . 51487 1
22 . 1 . 1 2 2 SER CB C 13 63.578 0.200 . 1 . . . . . 323 SER CB . 51487 1
23 . 1 . 1 2 2 SER N N 15 117.870 0.020 . 1 . . . . . 323 SER N . 51487 1
24 . 1 . 1 3 3 PRO HA H 1 4.465 0.020 . 1 . . . . . 324 PRO HA . 51487 1
25 . 1 . 1 3 3 PRO HB2 H 1 2.342 0.020 . 1 . . . . . 324 PRO HB2 . 51487 1
26 . 1 . 1 3 3 PRO HB3 H 1 1.991 0.020 . 1 . . . . . 324 PRO HB3 . 51487 1
27 . 1 . 1 3 3 PRO HG2 H 1 2.049 0.020 . 2 . . . . . 324 PRO QG . 51487 1
28 . 1 . 1 3 3 PRO HG3 H 1 2.049 0.020 . 2 . . . . . 324 PRO QG . 51487 1
29 . 1 . 1 3 3 PRO HD2 H 1 3.836 0.020 . 1 . . . . . 324 PRO HD2 . 51487 1
30 . 1 . 1 3 3 PRO HD3 H 1 3.761 0.020 . 1 . . . . . 324 PRO HD3 . 51487 1
31 . 1 . 1 3 3 PRO C C 13 177.497 0.200 . 1 . . . . . 324 PRO C . 51487 1
32 . 1 . 1 3 3 PRO CA C 13 63.887 0.200 . 1 . . . . . 324 PRO CA . 51487 1
33 . 1 . 1 3 3 PRO CB C 13 32.209 0.060 . 1 . . . . . 324 PRO CB . 51487 1
34 . 1 . 1 3 3 PRO CG C 13 27.782 0.200 . 1 . . . . . 324 PRO CG . 51487 1
35 . 1 . 1 3 3 PRO CD C 13 50.900 0.017 . 1 . . . . . 324 PRO CD . 51487 1
36 . 1 . 1 4 4 SER H H 1 8.285 0.005 . 1 . . . . . 325 SER H . 51487 1
37 . 1 . 1 4 4 SER HA H 1 4.450 0.020 . 1 . . . . . 325 SER HA . 51487 1
38 . 1 . 1 4 4 SER HB2 H 1 3.940 0.020 . 1 . . . . . 325 SER HB2 . 51487 1
39 . 1 . 1 4 4 SER HB3 H 1 3.892 0.020 . 1 . . . . . 325 SER HB3 . 51487 1
40 . 1 . 1 4 4 SER C C 13 175.169 0.200 . 1 . . . . . 325 SER C . 51487 1
41 . 1 . 1 4 4 SER CA C 13 58.825 0.200 . 1 . . . . . 325 SER CA . 51487 1
42 . 1 . 1 4 4 SER CB C 13 63.395 0.045 . 1 . . . . . 325 SER CB . 51487 1
43 . 1 . 1 4 4 SER N N 15 115.081 0.012 . 1 . . . . . 325 SER N . 51487 1
44 . 1 . 1 5 5 SER H H 1 8.211 0.001 . 1 . . . . . 326 SER H . 51487 1
45 . 1 . 1 5 5 SER HA H 1 4.434 0.020 . 1 . . . . . 326 SER HA . 51487 1
46 . 1 . 1 5 5 SER HB2 H 1 3.948 0.020 . 1 . . . . . 326 SER HB2 . 51487 1
47 . 1 . 1 5 5 SER HB3 H 1 3.898 0.020 . 1 . . . . . 326 SER HB3 . 51487 1
48 . 1 . 1 5 5 SER C C 13 174.933 0.200 . 1 . . . . . 326 SER C . 51487 1
49 . 1 . 1 5 5 SER CA C 13 59.032 0.200 . 1 . . . . . 326 SER CA . 51487 1
50 . 1 . 1 5 5 SER CB C 13 63.454 0.022 . 1 . . . . . 326 SER CB . 51487 1
51 . 1 . 1 5 5 SER N N 15 117.673 0.007 . 1 . . . . . 326 SER N . 51487 1
52 . 1 . 1 6 6 GLN H H 1 8.221 0.001 . 1 . . . . . 327 GLN H . 51487 1
53 . 1 . 1 6 6 GLN HA H 1 4.318 0.020 . 1 . . . . . 327 GLN HA . 51487 1
54 . 1 . 1 6 6 GLN HB2 H 1 2.142 0.020 . 1 . . . . . 327 GLN HB2 . 51487 1
55 . 1 . 1 6 6 GLN HB3 H 1 1.972 0.020 . 1 . . . . . 327 GLN HB3 . 51487 1
56 . 1 . 1 6 6 GLN HG2 H 1 2.375 0.020 . 2 . . . . . 327 GLN QG . 51487 1
57 . 1 . 1 6 6 GLN HG3 H 1 2.375 0.020 . 2 . . . . . 327 GLN QG . 51487 1
58 . 1 . 1 6 6 GLN C C 13 175.997 0.200 . 1 . . . . . 327 GLN C . 51487 1
59 . 1 . 1 6 6 GLN CA C 13 56.265 0.200 . 1 . . . . . 327 GLN CA . 51487 1
60 . 1 . 1 6 6 GLN CB C 13 29.589 0.090 . 1 . . . . . 327 GLN CB . 51487 1
61 . 1 . 1 6 6 GLN CG C 13 33.998 0.200 . 1 . . . . . 327 GLN CG . 51487 1
62 . 1 . 1 6 6 GLN N N 15 121.795 0.016 . 1 . . . . . 327 GLN N . 51487 1
63 . 1 . 1 7 7 ALA H H 1 8.131 0.004 . 1 . . . . . 328 ALA H . 51487 1
64 . 1 . 1 7 7 ALA HA H 1 4.294 0.020 . 1 . . . . . 328 ALA HA . 51487 1
65 . 1 . 1 7 7 ALA HB1 H 1 1.398 0.020 . 1 . . . . . 328 ALA HB# . 51487 1
66 . 1 . 1 7 7 ALA HB2 H 1 1.398 0.020 . 1 . . . . . 328 ALA HB# . 51487 1
67 . 1 . 1 7 7 ALA HB3 H 1 1.398 0.020 . 1 . . . . . 328 ALA HB# . 51487 1
68 . 1 . 1 7 7 ALA C C 13 177.908 0.200 . 1 . . . . . 328 ALA C . 51487 1
69 . 1 . 1 7 7 ALA CA C 13 52.944 0.200 . 1 . . . . . 328 ALA CA . 51487 1
70 . 1 . 1 7 7 ALA CB C 13 19.177 0.200 . 1 . . . . . 328 ALA CB . 51487 1
71 . 1 . 1 7 7 ALA N N 15 124.617 0.027 . 1 . . . . . 328 ALA N . 51487 1
72 . 1 . 1 8 8 ARG H H 1 8.142 0.020 . 1 . . . . . 329 ARG H . 51487 1
73 . 1 . 1 8 8 ARG HA H 1 4.318 0.020 . 1 . . . . . 329 ARG HA . 51487 1
74 . 1 . 1 8 8 ARG HB2 H 1 1.887 0.020 . 1 . . . . . 329 ARG HB2 . 51487 1
75 . 1 . 1 8 8 ARG HB3 H 1 1.771 0.020 . 1 . . . . . 329 ARG HB3 . 51487 1
76 . 1 . 1 8 8 ARG HG2 H 1 1.650 0.020 . 2 . . . . . 329 ARG QG . 51487 1
77 . 1 . 1 8 8 ARG HG3 H 1 1.650 0.020 . 2 . . . . . 329 ARG QG . 51487 1
78 . 1 . 1 8 8 ARG HD2 H 1 3.211 0.020 . 2 . . . . . 329 ARG QD . 51487 1
79 . 1 . 1 8 8 ARG HD3 H 1 3.211 0.020 . 2 . . . . . 329 ARG QD . 51487 1
80 . 1 . 1 8 8 ARG C C 13 176.109 0.200 . 1 . . . . . 329 ARG C . 51487 1
81 . 1 . 1 8 8 ARG CA C 13 56.139 0.200 . 1 . . . . . 329 ARG CA . 51487 1
82 . 1 . 1 8 8 ARG CB C 13 30.910 0.200 . 1 . . . . . 329 ARG CB . 51487 1
83 . 1 . 1 8 8 ARG CG C 13 27.203 0.200 . 1 . . . . . 329 ARG CG . 51487 1
84 . 1 . 1 8 8 ARG CD C 13 43.553 0.200 . 1 . . . . . 329 ARG CD . 51487 1
85 . 1 . 1 8 8 ARG N N 15 119.834 0.007 . 1 . . . . . 329 ARG N . 51487 1
86 . 1 . 1 9 9 ALA H H 1 8.172 0.002 . 1 . . . . . 330 ALA H . 51487 1
87 . 1 . 1 9 9 ALA HA H 1 4.335 0.020 . 1 . . . . . 330 ALA HA . 51487 1
88 . 1 . 1 9 9 ALA HB1 H 1 1.411 0.020 . 1 . . . . . 330 ALA HB# . 51487 1
89 . 1 . 1 9 9 ALA HB2 H 1 1.411 0.020 . 1 . . . . . 330 ALA HB# . 51487 1
90 . 1 . 1 9 9 ALA HB3 H 1 1.411 0.020 . 1 . . . . . 330 ALA HB# . 51487 1
91 . 1 . 1 9 9 ALA C C 13 178.189 0.200 . 1 . . . . . 330 ALA C . 51487 1
92 . 1 . 1 9 9 ALA CA C 13 52.720 0.200 . 1 . . . . . 330 ALA CA . 51487 1
93 . 1 . 1 9 9 ALA CB C 13 19.401 0.200 . 1 . . . . . 330 ALA CB . 51487 1
94 . 1 . 1 9 9 ALA N N 15 124.867 0.005 . 1 . . . . . 330 ALA N . 51487 1
95 . 1 . 1 10 10 GLY H H 1 8.287 0.001 . 1 . . . . . 331 GLY H . 51487 1
96 . 1 . 1 10 10 GLY HA2 H 1 3.958 0.020 . 2 . . . . . 331 GLY QA . 51487 1
97 . 1 . 1 10 10 GLY HA3 H 1 3.958 0.020 . 2 . . . . . 331 GLY QA . 51487 1
98 . 1 . 1 10 10 GLY C C 13 174.104 0.200 . 1 . . . . . 331 GLY C . 51487 1
99 . 1 . 1 10 10 GLY CA C 13 45.396 0.200 . 1 . . . . . 331 GLY CA . 51487 1
100 . 1 . 1 10 10 GLY N N 15 108.269 0.001 . 1 . . . . . 331 GLY N . 51487 1
101 . 1 . 1 11 11 LYS H H 1 8.068 0.020 . 1 . . . . . 332 LYS H . 51487 1
102 . 1 . 1 11 11 LYS HA H 1 4.340 0.020 . 1 . . . . . 332 LYS HA . 51487 1
103 . 1 . 1 11 11 LYS HB2 H 1 1.848 0.020 . 1 . . . . . 332 LYS HB2 . 51487 1
104 . 1 . 1 11 11 LYS HB3 H 1 1.749 0.020 . 1 . . . . . 332 LYS HB3 . 51487 1
105 . 1 . 1 11 11 LYS HG2 H 1 1.417 0.020 . 2 . . . . . 332 LYS QG . 51487 1
106 . 1 . 1 11 11 LYS HG3 H 1 1.417 0.020 . 2 . . . . . 332 LYS QG . 51487 1
107 . 1 . 1 11 11 LYS HD2 H 1 1.684 0.020 . 2 . . . . . 332 LYS QD . 51487 1
108 . 1 . 1 11 11 LYS HD3 H 1 1.684 0.020 . 2 . . . . . 332 LYS QD . 51487 1
109 . 1 . 1 11 11 LYS HE2 H 1 3.006 0.020 . 2 . . . . . 332 LYS QE . 51487 1
110 . 1 . 1 11 11 LYS HE3 H 1 3.006 0.020 . 2 . . . . . 332 LYS QE . 51487 1
111 . 1 . 1 11 11 LYS C C 13 176.385 0.200 . 1 . . . . . 332 LYS C . 51487 1
112 . 1 . 1 11 11 LYS CA C 13 56.233 0.200 . 1 . . . . . 332 LYS CA . 51487 1
113 . 1 . 1 11 11 LYS CB C 13 33.365 0.006 . 1 . . . . . 332 LYS CB . 51487 1
114 . 1 . 1 11 11 LYS CG C 13 24.754 0.200 . 1 . . . . . 332 LYS CG . 51487 1
115 . 1 . 1 11 11 LYS CD C 13 29.120 0.200 . 1 . . . . . 332 LYS CD . 51487 1
116 . 1 . 1 11 11 LYS CE C 13 42.209 0.200 . 1 . . . . . 332 LYS CE . 51487 1
117 . 1 . 1 11 11 LYS N N 15 120.836 0.200 . 1 . . . . . 332 LYS N . 51487 1
118 . 1 . 1 12 12 ALA H H 1 8.329 0.002 . 1 . . . . . 333 ALA H . 51487 1
119 . 1 . 1 12 12 ALA HA H 1 4.343 0.020 . 1 . . . . . 333 ALA HA . 51487 1
120 . 1 . 1 12 12 ALA HB1 H 1 1.388 0.020 . 1 . . . . . 333 ALA HB# . 51487 1
121 . 1 . 1 12 12 ALA HB2 H 1 1.388 0.020 . 1 . . . . . 333 ALA HB# . 51487 1
122 . 1 . 1 12 12 ALA HB3 H 1 1.388 0.020 . 1 . . . . . 333 ALA HB# . 51487 1
123 . 1 . 1 12 12 ALA C C 13 177.728 0.200 . 1 . . . . . 333 ALA C . 51487 1
124 . 1 . 1 12 12 ALA CA C 13 52.572 0.200 . 1 . . . . . 333 ALA CA . 51487 1
125 . 1 . 1 12 12 ALA CB C 13 19.290 0.200 . 1 . . . . . 333 ALA CB . 51487 1
126 . 1 . 1 12 12 ALA N N 15 125.587 0.010 . 1 . . . . . 333 ALA N . 51487 1
127 . 1 . 1 13 13 GLU H H 1 8.385 0.020 . 1 . . . . . 334 GLU H . 51487 1
128 . 1 . 1 13 13 GLU HA H 1 4.307 0.020 . 1 . . . . . 334 GLU HA . 51487 1
129 . 1 . 1 13 13 GLU HB2 H 1 2.077 0.020 . 1 . . . . . 334 GLU HB2 . 51487 1
130 . 1 . 1 13 13 GLU HB3 H 1 1.963 0.020 . 1 . . . . . 334 GLU HB3 . 51487 1
131 . 1 . 1 13 13 GLU HG2 H 1 2.279 0.020 . 2 . . . . . 334 GLU QG . 51487 1
132 . 1 . 1 13 13 GLU HG3 H 1 2.279 0.020 . 2 . . . . . 334 GLU QG . 51487 1
133 . 1 . 1 13 13 GLU C C 13 177.118 0.200 . 1 . . . . . 334 GLU C . 51487 1
134 . 1 . 1 13 13 GLU CA C 13 56.859 0.200 . 1 . . . . . 334 GLU CA . 51487 1
135 . 1 . 1 13 13 GLU CB C 13 30.595 0.057 . 1 . . . . . 334 GLU CB . 51487 1
136 . 1 . 1 13 13 GLU CG C 13 36.390 0.200 . 1 . . . . . 334 GLU CG . 51487 1
137 . 1 . 1 13 13 GLU N N 15 120.639 0.200 . 1 . . . . . 334 GLU N . 51487 1
138 . 1 . 1 14 14 GLY H H 1 8.372 0.003 . 1 . . . . . 335 GLY H . 51487 1
139 . 1 . 1 14 14 GLY HA2 H 1 4.016 0.020 . 2 . . . . . 335 GLY QA . 51487 1
140 . 1 . 1 14 14 GLY HA3 H 1 4.016 0.020 . 2 . . . . . 335 GLY QA . 51487 1
141 . 1 . 1 14 14 GLY C C 13 174.341 0.200 . 1 . . . . . 335 GLY C . 51487 1
142 . 1 . 1 14 14 GLY CA C 13 45.516 0.200 . 1 . . . . . 335 GLY CA . 51487 1
143 . 1 . 1 14 14 GLY N N 15 109.755 0.007 . 1 . . . . . 335 GLY N . 51487 1
144 . 1 . 1 15 15 THR H H 1 7.964 0.020 . 1 . . . . . 336 THR H . 51487 1
145 . 1 . 1 15 15 THR HA H 1 4.338 0.020 . 1 . . . . . 336 THR HA . 51487 1
146 . 1 . 1 15 15 THR HB H 1 4.209 0.020 . 1 . . . . . 336 THR HB . 51487 1
147 . 1 . 1 15 15 THR HG21 H 1 1.195 0.020 . 1 . . . . . 336 THR QG2 . 51487 1
148 . 1 . 1 15 15 THR HG22 H 1 1.195 0.020 . 1 . . . . . 336 THR QG2 . 51487 1
149 . 1 . 1 15 15 THR HG23 H 1 1.195 0.020 . 1 . . . . . 336 THR QG2 . 51487 1
150 . 1 . 1 15 15 THR C C 13 174.181 0.200 . 1 . . . . . 336 THR C . 51487 1
151 . 1 . 1 15 15 THR CA C 13 61.753 0.200 . 1 . . . . . 336 THR CA . 51487 1
152 . 1 . 1 15 15 THR CB C 13 70.047 0.200 . 1 . . . . . 336 THR CB . 51487 1
153 . 1 . 1 15 15 THR CG2 C 13 21.708 0.200 . 1 . . . . . 336 THR CG2 . 51487 1
154 . 1 . 1 15 15 THR N N 15 113.285 0.200 . 1 . . . . . 336 THR N . 51487 1
155 . 1 . 1 16 16 ALA H H 1 8.240 0.020 . 1 . . . . . 337 ALA H . 51487 1
156 . 1 . 1 16 16 ALA C C 13 175.517 0.200 . 1 . . . . . 337 ALA C . 51487 1
157 . 1 . 1 16 16 ALA CA C 13 50.825 0.200 . 1 . . . . . 337 ALA CA . 51487 1
158 . 1 . 1 16 16 ALA CB C 13 18.380 0.200 . 1 . . . . . 337 ALA CB . 51487 1
159 . 1 . 1 16 16 ALA N N 15 127.838 0.005 . 1 . . . . . 337 ALA N . 51487 1
160 . 1 . 1 17 17 PRO HA H 1 4.403 0.020 . 1 . . . . . 338 PRO HA . 51487 1
161 . 1 . 1 17 17 PRO HB2 H 1 2.260 0.020 . 1 . . . . . 338 PRO HB2 . 51487 1
162 . 1 . 1 17 17 PRO HB3 H 1 1.804 0.020 . 1 . . . . . 338 PRO HB3 . 51487 1
163 . 1 . 1 17 17 PRO HG2 H 1 2.003 0.020 . 2 . . . . . 338 PRO QG . 51487 1
164 . 1 . 1 17 17 PRO HG3 H 1 2.003 0.020 . 2 . . . . . 338 PRO QG . 51487 1
165 . 1 . 1 17 17 PRO HD2 H 1 3.793 0.020 . 1 . . . . . 338 PRO HD2 . 51487 1
166 . 1 . 1 17 17 PRO HD3 H 1 3.622 0.020 . 1 . . . . . 338 PRO HD3 . 51487 1
167 . 1 . 1 17 17 PRO C C 13 176.747 0.200 . 1 . . . . . 338 PRO C . 51487 1
168 . 1 . 1 17 17 PRO CA C 13 63.053 0.200 . 1 . . . . . 338 PRO CA . 51487 1
169 . 1 . 1 17 17 PRO CB C 13 32.100 0.035 . 1 . . . . . 338 PRO CB . 51487 1
170 . 1 . 1 17 17 PRO CG C 13 27.392 0.200 . 1 . . . . . 338 PRO CG . 51487 1
171 . 1 . 1 17 17 PRO CD C 13 50.552 0.026 . 1 . . . . . 338 PRO CD . 51487 1
172 . 1 . 1 18 18 LEU H H 1 8.141 0.001 . 1 . . . . . 339 LEU H . 51487 1
173 . 1 . 1 18 18 LEU HA H 1 4.239 0.020 . 1 . . . . . 339 LEU HA . 51487 1
174 . 1 . 1 18 18 LEU HD11 H 1 0.913 0.020 . 2 . . . . . 339 LEU QD1 . 51487 1
175 . 1 . 1 18 18 LEU HD12 H 1 0.913 0.020 . 2 . . . . . 339 LEU QD1 . 51487 1
176 . 1 . 1 18 18 LEU HD13 H 1 0.913 0.020 . 2 . . . . . 339 LEU QD1 . 51487 1
177 . 1 . 1 18 18 LEU HD21 H 1 0.855 0.020 . 2 . . . . . 339 LEU QD2 . 51487 1
178 . 1 . 1 18 18 LEU HD22 H 1 0.855 0.020 . 2 . . . . . 339 LEU QD2 . 51487 1
179 . 1 . 1 18 18 LEU HD23 H 1 0.855 0.020 . 2 . . . . . 339 LEU QD2 . 51487 1
180 . 1 . 1 18 18 LEU C C 13 177.160 0.200 . 1 . . . . . 339 LEU C . 51487 1
181 . 1 . 1 18 18 LEU CA C 13 55.426 0.200 . 1 . . . . . 339 LEU CA . 51487 1
182 . 1 . 1 18 18 LEU CB C 13 42.607 0.200 . 1 . . . . . 339 LEU CB . 51487 1
183 . 1 . 1 18 18 LEU CD1 C 13 24.633 0.200 . 1 . . . . . 339 LEU CD1 . 51487 1
184 . 1 . 1 18 18 LEU CD2 C 13 23.859 0.200 . 1 . . . . . 339 LEU CD2 . 51487 1
185 . 1 . 1 18 18 LEU N N 15 121.620 0.010 . 1 . . . . . 339 LEU N . 51487 1
186 . 1 . 1 19 19 HIS H H 1 8.213 0.012 . 1 . . . . . 340 HIS H . 51487 1
187 . 1 . 1 19 19 HIS HB2 H 1 3.036 0.020 . 2 . . . . . 340 HIS QB . 51487 1
188 . 1 . 1 19 19 HIS HB3 H 1 3.036 0.020 . 2 . . . . . 340 HIS QB . 51487 1
189 . 1 . 1 19 19 HIS C C 13 174.409 0.200 . 1 . . . . . 340 HIS C . 51487 1
190 . 1 . 1 19 19 HIS CA C 13 55.651 0.200 . 1 . . . . . 340 HIS CA . 51487 1
191 . 1 . 1 19 19 HIS CB C 13 30.349 0.200 . 1 . . . . . 340 HIS CB . 51487 1
192 . 1 . 1 19 19 HIS N N 15 119.362 0.029 . 1 . . . . . 340 HIS N . 51487 1
193 . 1 . 1 20 20 ILE H H 1 7.777 0.020 . 1 . . . . . 341 ILE H . 51487 1
194 . 1 . 1 20 20 ILE HA H 1 4.106 0.020 . 1 . . . . . 341 ILE HA . 51487 1
195 . 1 . 1 20 20 ILE HB H 1 1.707 0.020 . 1 . . . . . 341 ILE HB . 51487 1
196 . 1 . 1 20 20 ILE HG21 H 1 0.742 0.020 . 1 . . . . . 341 ILE QG2 . 51487 1
197 . 1 . 1 20 20 ILE HG22 H 1 0.742 0.020 . 1 . . . . . 341 ILE QG2 . 51487 1
198 . 1 . 1 20 20 ILE HG23 H 1 0.742 0.020 . 1 . . . . . 341 ILE QG2 . 51487 1
199 . 1 . 1 20 20 ILE HD11 H 1 0.778 0.020 . 1 . . . . . 341 ILE QD1 . 51487 1
200 . 1 . 1 20 20 ILE HD12 H 1 0.778 0.020 . 1 . . . . . 341 ILE QD1 . 51487 1
201 . 1 . 1 20 20 ILE HD13 H 1 0.778 0.020 . 1 . . . . . 341 ILE QD1 . 51487 1
202 . 1 . 1 20 20 ILE C C 13 175.382 0.200 . 1 . . . . . 341 ILE C . 51487 1
203 . 1 . 1 20 20 ILE CA C 13 60.828 0.200 . 1 . . . . . 341 ILE CA . 51487 1
204 . 1 . 1 20 20 ILE CB C 13 38.959 0.200 . 1 . . . . . 341 ILE CB . 51487 1
205 . 1 . 1 20 20 ILE CG2 C 13 17.488 0.200 . 1 . . . . . 341 ILE CG2 . 51487 1
206 . 1 . 1 20 20 ILE CD1 C 13 12.872 0.200 . 1 . . . . . 341 ILE CD1 . 51487 1
207 . 1 . 1 20 20 ILE N N 15 121.323 0.200 . 1 . . . . . 341 ILE N . 51487 1
208 . 1 . 1 21 21 PHE H H 1 8.200 0.003 . 1 . . . . . 342 PHE H . 51487 1
209 . 1 . 1 21 21 PHE C C 13 173.961 0.200 . 1 . . . . . 342 PHE C . 51487 1
210 . 1 . 1 21 21 PHE CA C 13 55.724 0.200 . 1 . . . . . 342 PHE CA . 51487 1
211 . 1 . 1 21 21 PHE CB C 13 39.119 0.200 . 1 . . . . . 342 PHE CB . 51487 1
212 . 1 . 1 21 21 PHE N N 15 124.834 0.008 . 1 . . . . . 342 PHE N . 51487 1
213 . 1 . 1 22 22 PRO HA H 1 4.417 0.020 . 1 . . . . . 343 PRO HA . 51487 1
214 . 1 . 1 22 22 PRO HB2 H 1 2.282 0.020 . 1 . . . . . 343 PRO HB2 . 51487 1
215 . 1 . 1 22 22 PRO HB3 H 1 1.901 0.020 . 1 . . . . . 343 PRO HB3 . 51487 1
216 . 1 . 1 22 22 PRO HG2 H 1 2.014 0.020 . 2 . . . . . 343 PRO QG . 51487 1
217 . 1 . 1 22 22 PRO HG3 H 1 2.014 0.020 . 2 . . . . . 343 PRO QG . 51487 1
218 . 1 . 1 22 22 PRO HD2 H 1 3.808 0.020 . 1 . . . . . 343 PRO HD2 . 51487 1
219 . 1 . 1 22 22 PRO HD3 H 1 3.633 0.020 . 1 . . . . . 343 PRO HD3 . 51487 1
220 . 1 . 1 22 22 PRO C C 13 176.802 0.200 . 1 . . . . . 343 PRO C . 51487 1
221 . 1 . 1 22 22 PRO CA C 13 63.443 0.200 . 1 . . . . . 343 PRO CA . 51487 1
222 . 1 . 1 22 22 PRO CB C 13 32.175 0.022 . 1 . . . . . 343 PRO CB . 51487 1
223 . 1 . 1 22 22 PRO CG C 13 27.363 0.200 . 1 . . . . . 343 PRO CG . 51487 1
224 . 1 . 1 22 22 PRO CD C 13 50.841 0.007 . 1 . . . . . 343 PRO CD . 51487 1
225 . 1 . 1 23 23 ARG H H 1 8.273 0.004 . 1 . . . . . 344 ARG H . 51487 1
226 . 1 . 1 23 23 ARG C C 13 176.356 0.200 . 1 . . . . . 344 ARG C . 51487 1
227 . 1 . 1 23 23 ARG CA C 13 56.406 0.200 . 1 . . . . . 344 ARG CA . 51487 1
228 . 1 . 1 23 23 ARG CB C 13 30.734 0.200 . 1 . . . . . 344 ARG CB . 51487 1
229 . 1 . 1 23 23 ARG N N 15 120.902 0.035 . 1 . . . . . 344 ARG N . 51487 1
230 . 1 . 1 24 24 LEU H H 1 8.132 0.020 . 1 . . . . . 345 LEU H . 51487 1
231 . 1 . 1 24 24 LEU HA H 1 4.360 0.020 . 1 . . . . . 345 LEU HA . 51487 1
232 . 1 . 1 24 24 LEU HB2 H 1 1.588 0.020 . 1 . . . . . 345 LEU HB2 . 51487 1
233 . 1 . 1 24 24 LEU HB3 H 1 1.632 0.020 . 1 . . . . . 345 LEU HB3 . 51487 1
234 . 1 . 1 24 24 LEU HG H 1 1.618 0.020 . 1 . . . . . 345 LEU HG . 51487 1
235 . 1 . 1 24 24 LEU HD11 H 1 0.915 0.020 . 2 . . . . . 345 LEU QD1 . 51487 1
236 . 1 . 1 24 24 LEU HD12 H 1 0.915 0.020 . 2 . . . . . 345 LEU QD1 . 51487 1
237 . 1 . 1 24 24 LEU HD13 H 1 0.915 0.020 . 2 . . . . . 345 LEU QD1 . 51487 1
238 . 1 . 1 24 24 LEU HD21 H 1 0.864 0.020 . 2 . . . . . 345 LEU QD2 . 51487 1
239 . 1 . 1 24 24 LEU HD22 H 1 0.864 0.020 . 2 . . . . . 345 LEU QD2 . 51487 1
240 . 1 . 1 24 24 LEU HD23 H 1 0.864 0.020 . 2 . . . . . 345 LEU QD2 . 51487 1
241 . 1 . 1 24 24 LEU C C 13 176.971 0.200 . 1 . . . . . 345 LEU C . 51487 1
242 . 1 . 1 24 24 LEU CA C 13 55.085 0.200 . 1 . . . . . 345 LEU CA . 51487 1
243 . 1 . 1 24 24 LEU CB C 13 42.558 0.081 . 1 . . . . . 345 LEU CB . 51487 1
244 . 1 . 1 24 24 LEU CG C 13 27.329 0.200 . 1 . . . . . 345 LEU CG . 51487 1
245 . 1 . 1 24 24 LEU CD1 C 13 24.916 0.200 . 1 . . . . . 345 LEU CD1 . 51487 1
246 . 1 . 1 24 24 LEU CD2 C 13 23.654 0.200 . 1 . . . . . 345 LEU CD2 . 51487 1
247 . 1 . 1 24 24 LEU N N 15 123.075 0.200 . 1 . . . . . 345 LEU N . 51487 1
248 . 1 . 1 25 25 ALA H H 1 8.197 0.002 . 1 . . . . . 346 ALA H . 51487 1
249 . 1 . 1 25 25 ALA HA H 1 4.309 0.020 . 1 . . . . . 346 ALA HA . 51487 1
250 . 1 . 1 25 25 ALA HB1 H 1 1.341 0.020 . 1 . . . . . 346 ALA HB# . 51487 1
251 . 1 . 1 25 25 ALA HB2 H 1 1.341 0.020 . 1 . . . . . 346 ALA HB# . 51487 1
252 . 1 . 1 25 25 ALA HB3 H 1 1.341 0.020 . 1 . . . . . 346 ALA HB# . 51487 1
253 . 1 . 1 25 25 ALA C C 13 177.546 0.200 . 1 . . . . . 346 ALA C . 51487 1
254 . 1 . 1 25 25 ALA CA C 13 52.458 0.200 . 1 . . . . . 346 ALA CA . 51487 1
255 . 1 . 1 25 25 ALA CB C 13 19.395 0.200 . 1 . . . . . 346 ALA CB . 51487 1
256 . 1 . 1 25 25 ALA N N 15 125.014 0.008 . 1 . . . . . 346 ALA N . 51487 1
257 . 1 . 1 26 26 ARG H H 1 8.161 0.002 . 1 . . . . . 347 ARG H . 51487 1
258 . 1 . 1 26 26 ARG CA C 13 56.308 0.200 . 1 . . . . . 347 ARG CA . 51487 1
259 . 1 . 1 26 26 ARG N N 15 119.858 0.003 . 1 . . . . . 347 ARG N . 51487 1
260 . 1 . 1 27 27 HIS H H 1 8.270 0.001 . 1 . . . . . 348 HIS H . 51487 1
261 . 1 . 1 27 27 HIS HB2 H 1 3.174 0.020 . 1 . . . . . 348 HIS HB2 . 51487 1
262 . 1 . 1 27 27 HIS HB3 H 1 3.087 0.020 . 1 . . . . . 348 HIS HB3 . 51487 1
263 . 1 . 1 27 27 HIS C C 13 174.859 0.200 . 1 . . . . . 348 HIS C . 51487 1
264 . 1 . 1 27 27 HIS CB C 13 30.420 0.050 . 1 . . . . . 348 HIS CB . 51487 1
265 . 1 . 1 27 27 HIS N N 15 119.856 0.200 . 1 . . . . . 348 HIS N . 51487 1
266 . 1 . 1 28 28 ASP H H 1 8.269 0.002 . 1 . . . . . 349 ASP H . 51487 1
267 . 1 . 1 28 28 ASP HA H 1 4.618 0.020 . 1 . . . . . 349 ASP HA . 51487 1
268 . 1 . 1 28 28 ASP HB2 H 1 2.666 0.020 . 2 . . . . . 349 ASP QB . 51487 1
269 . 1 . 1 28 28 ASP HB3 H 1 2.666 0.020 . 2 . . . . . 349 ASP QB . 51487 1
270 . 1 . 1 28 28 ASP C C 13 176.339 0.200 . 1 . . . . . 349 ASP C . 51487 1
271 . 1 . 1 28 28 ASP CA C 13 54.404 0.200 . 1 . . . . . 349 ASP CA . 51487 1
272 . 1 . 1 28 28 ASP CB C 13 41.327 0.200 . 1 . . . . . 349 ASP CB . 51487 1
273 . 1 . 1 28 28 ASP N N 15 121.495 0.007 . 1 . . . . . 349 ASP N . 51487 1
274 . 1 . 1 29 29 ARG H H 1 8.322 0.020 . 1 . . . . . 350 ARG H . 51487 1
275 . 1 . 1 29 29 ARG HA H 1 4.318 0.020 . 1 . . . . . 350 ARG HA . 51487 1
276 . 1 . 1 29 29 ARG HB2 H 1 1.939 0.020 . 2 . . . . . 350 ARG QB . 51487 1
277 . 1 . 1 29 29 ARG HB3 H 1 1.939 0.020 . 2 . . . . . 350 ARG QB . 51487 1
278 . 1 . 1 29 29 ARG HG2 H 1 1.660 0.020 . 2 . . . . . 350 ARG QG . 51487 1
279 . 1 . 1 29 29 ARG HG3 H 1 1.660 0.020 . 2 . . . . . 350 ARG QG . 51487 1
280 . 1 . 1 29 29 ARG HD2 H 1 3.188 0.020 . 2 . . . . . 350 ARG QD . 51487 1
281 . 1 . 1 29 29 ARG HD3 H 1 3.188 0.020 . 2 . . . . . 350 ARG QD . 51487 1
282 . 1 . 1 29 29 ARG C C 13 176.991 0.200 . 1 . . . . . 350 ARG C . 51487 1
283 . 1 . 1 29 29 ARG CA C 13 56.589 0.200 . 1 . . . . . 350 ARG CA . 51487 1
284 . 1 . 1 29 29 ARG CB C 13 30.722 0.200 . 1 . . . . . 350 ARG CB . 51487 1
285 . 1 . 1 29 29 ARG CG C 13 27.247 0.200 . 1 . . . . . 350 ARG CG . 51487 1
286 . 1 . 1 29 29 ARG CD C 13 43.578 0.200 . 1 . . . . . 350 ARG CD . 51487 1
287 . 1 . 1 29 29 ARG N N 15 121.227 0.001 . 1 . . . . . 350 ARG N . 51487 1
288 . 1 . 1 30 30 GLY H H 1 8.392 0.004 . 1 . . . . . 351 GLY H . 51487 1
289 . 1 . 1 30 30 GLY HA2 H 1 3.907 0.020 . 2 . . . . . 351 GLY QA . 51487 1
290 . 1 . 1 30 30 GLY HA3 H 1 3.907 0.020 . 2 . . . . . 351 GLY QA . 51487 1
291 . 1 . 1 30 30 GLY C C 13 174.023 0.200 . 1 . . . . . 351 GLY C . 51487 1
292 . 1 . 1 30 30 GLY CA C 13 45.653 0.200 . 1 . . . . . 351 GLY CA . 51487 1
293 . 1 . 1 30 30 GLY N N 15 108.840 0.017 . 1 . . . . . 351 GLY N . 51487 1
294 . 1 . 1 31 31 ASN H H 1 8.174 0.020 . 1 . . . . . 352 ASN H . 51487 1
295 . 1 . 1 31 31 ASN HA H 1 4.675 0.020 . 1 . . . . . 352 ASN HA . 51487 1
296 . 1 . 1 31 31 ASN HB2 H 1 2.743 0.020 . 1 . . . . . 352 ASN HB2 . 51487 1
297 . 1 . 1 31 31 ASN HB3 H 1 2.676 0.020 . 1 . . . . . 352 ASN HB3 . 51487 1
298 . 1 . 1 31 31 ASN C C 13 175.010 0.200 . 1 . . . . . 352 ASN C . 51487 1
299 . 1 . 1 31 31 ASN CA C 13 53.398 0.200 . 1 . . . . . 352 ASN CA . 51487 1
300 . 1 . 1 31 31 ASN CB C 13 39.047 0.032 . 1 . . . . . 352 ASN CB . 51487 1
301 . 1 . 1 31 31 ASN N N 15 118.571 0.200 . 1 . . . . . 352 ASN N . 51487 1
302 . 1 . 1 32 32 TYR H H 1 8.026 0.020 . 1 . . . . . 353 TYR H . 51487 1
303 . 1 . 1 32 32 TYR HA H 1 4.542 0.020 . 1 . . . . . 353 TYR HA . 51487 1
304 . 1 . 1 32 32 TYR HB2 H 1 3.047 0.020 . 1 . . . . . 353 TYR HB2 . 51487 1
305 . 1 . 1 32 32 TYR HB3 H 1 2.962 0.020 . 1 . . . . . 353 TYR HB3 . 51487 1
306 . 1 . 1 32 32 TYR C C 13 175.802 0.200 . 1 . . . . . 353 TYR C . 51487 1
307 . 1 . 1 32 32 TYR CA C 13 58.266 0.200 . 1 . . . . . 353 TYR CA . 51487 1
308 . 1 . 1 32 32 TYR CB C 13 38.838 0.012 . 1 . . . . . 353 TYR CB . 51487 1
309 . 1 . 1 32 32 TYR N N 15 120.569 0.004 . 1 . . . . . 353 TYR N . 51487 1
310 . 1 . 1 33 33 VAL H H 1 7.897 0.002 . 1 . . . . . 354 VAL H . 51487 1
311 . 1 . 1 33 33 VAL HA H 1 3.987 0.020 . 1 . . . . . 354 VAL HA . 51487 1
312 . 1 . 1 33 33 VAL HB H 1 2.007 0.020 . 1 . . . . . 354 VAL HB . 51487 1
313 . 1 . 1 33 33 VAL HG11 H 1 0.904 0.020 . 2 . . . . . 354 VAL QG1 . 51487 1
314 . 1 . 1 33 33 VAL HG12 H 1 0.904 0.020 . 2 . . . . . 354 VAL QG1 . 51487 1
315 . 1 . 1 33 33 VAL HG13 H 1 0.904 0.020 . 2 . . . . . 354 VAL QG1 . 51487 1
316 . 1 . 1 33 33 VAL HG21 H 1 0.889 0.020 . 2 . . . . . 354 VAL QG2 . 51487 1
317 . 1 . 1 33 33 VAL HG22 H 1 0.889 0.020 . 2 . . . . . 354 VAL QG2 . 51487 1
318 . 1 . 1 33 33 VAL HG23 H 1 0.889 0.020 . 2 . . . . . 354 VAL QG2 . 51487 1
319 . 1 . 1 33 33 VAL C C 13 175.899 0.200 . 1 . . . . . 354 VAL C . 51487 1
320 . 1 . 1 33 33 VAL CA C 13 62.832 0.200 . 1 . . . . . 354 VAL CA . 51487 1
321 . 1 . 1 33 33 VAL CB C 13 32.800 0.200 . 1 . . . . . 354 VAL CB . 51487 1
322 . 1 . 1 33 33 VAL CG1 C 13 21.035 0.200 . 1 . . . . . 354 VAL CG1 . 51487 1
323 . 1 . 1 33 33 VAL CG2 C 13 21.165 0.200 . 1 . . . . . 354 VAL CG2 . 51487 1
324 . 1 . 1 33 33 VAL N N 15 121.796 0.020 . 1 . . . . . 354 VAL N . 51487 1
325 . 1 . 1 34 34 ARG H H 1 8.154 0.001 . 1 . . . . . 355 ARG H . 51487 1
326 . 1 . 1 34 34 ARG HA H 1 4.308 0.020 . 1 . . . . . 355 ARG HA . 51487 1
327 . 1 . 1 34 34 ARG HB2 H 1 1.846 0.020 . 1 . . . . . 355 ARG HB2 . 51487 1
328 . 1 . 1 34 34 ARG HB3 H 1 1.768 0.020 . 1 . . . . . 355 ARG HB3 . 51487 1
329 . 1 . 1 34 34 ARG HG2 H 1 1.652 0.020 . 2 . . . . . 355 ARG QG . 51487 1
330 . 1 . 1 34 34 ARG HG3 H 1 1.652 0.020 . 2 . . . . . 355 ARG QG . 51487 1
331 . 1 . 1 34 34 ARG HD2 H 1 3.208 0.020 . 2 . . . . . 355 ARG QD . 51487 1
332 . 1 . 1 34 34 ARG HD3 H 1 3.208 0.020 . 2 . . . . . 355 ARG QD . 51487 1
333 . 1 . 1 34 34 ARG C C 13 176.358 0.200 . 1 . . . . . 355 ARG C . 51487 1
334 . 1 . 1 34 34 ARG CA C 13 56.407 0.200 . 1 . . . . . 355 ARG CA . 51487 1
335 . 1 . 1 34 34 ARG CB C 13 30.777 0.023 . 1 . . . . . 355 ARG CB . 51487 1
336 . 1 . 1 34 34 ARG CG C 13 27.433 0.200 . 1 . . . . . 355 ARG CG . 51487 1
337 . 1 . 1 34 34 ARG CD C 13 43.606 0.200 . 1 . . . . . 355 ARG CD . 51487 1
338 . 1 . 1 34 34 ARG N N 15 124.106 0.004 . 1 . . . . . 355 ARG N . 51487 1
339 . 1 . 1 35 35 LEU H H 1 8.129 0.003 . 1 . . . . . 356 LEU H . 51487 1
340 . 1 . 1 35 35 LEU HA H 1 4.297 0.020 . 1 . . . . . 356 LEU HA . 51487 1
341 . 1 . 1 35 35 LEU HB2 H 1 1.630 0.020 . 1 . . . . . 356 LEU HB2 . 51487 1
342 . 1 . 1 35 35 LEU HB3 H 1 1.550 0.020 . 1 . . . . . 356 LEU HB3 . 51487 1
343 . 1 . 1 35 35 LEU HD11 H 1 0.904 0.020 . 2 . . . . . 356 LEU QD1 . 51487 1
344 . 1 . 1 35 35 LEU HD12 H 1 0.904 0.020 . 2 . . . . . 356 LEU QD1 . 51487 1
345 . 1 . 1 35 35 LEU HD13 H 1 0.904 0.020 . 2 . . . . . 356 LEU QD1 . 51487 1
346 . 1 . 1 35 35 LEU HD21 H 1 0.850 0.020 . 2 . . . . . 356 LEU QD2 . 51487 1
347 . 1 . 1 35 35 LEU HD22 H 1 0.850 0.020 . 2 . . . . . 356 LEU QD2 . 51487 1
348 . 1 . 1 35 35 LEU HD23 H 1 0.850 0.020 . 2 . . . . . 356 LEU QD2 . 51487 1
349 . 1 . 1 35 35 LEU C C 13 177.148 0.200 . 1 . . . . . 356 LEU C . 51487 1
350 . 1 . 1 35 35 LEU CA C 13 55.559 0.200 . 1 . . . . . 356 LEU CA . 51487 1
351 . 1 . 1 35 35 LEU CB C 13 42.541 0.059 . 1 . . . . . 356 LEU CB . 51487 1
352 . 1 . 1 35 35 LEU CD1 C 13 24.897 0.200 . 1 . . . . . 356 LEU CD1 . 51487 1
353 . 1 . 1 35 35 LEU CD2 C 13 23.630 0.200 . 1 . . . . . 356 LEU CD2 . 51487 1
354 . 1 . 1 35 35 LEU N N 15 123.021 0.010 . 1 . . . . . 356 LEU N . 51487 1
355 . 1 . 1 36 36 ASN H H 1 8.337 0.007 . 1 . . . . . 357 ASN H . 51487 1
356 . 1 . 1 36 36 ASN HA H 1 4.671 0.020 . 1 . . . . . 357 ASN HA . 51487 1
357 . 1 . 1 36 36 ASN HB2 H 1 2.840 0.020 . 1 . . . . . 357 ASN HB2 . 51487 1
358 . 1 . 1 36 36 ASN HB3 H 1 2.763 0.020 . 1 . . . . . 357 ASN HB3 . 51487 1
359 . 1 . 1 36 36 ASN C C 13 175.394 0.200 . 1 . . . . . 357 ASN C . 51487 1
360 . 1 . 1 36 36 ASN CA C 13 53.428 0.200 . 1 . . . . . 357 ASN CA . 51487 1
361 . 1 . 1 36 36 ASN CB C 13 38.901 0.005 . 1 . . . . . 357 ASN CB . 51487 1
362 . 1 . 1 36 36 ASN N N 15 118.991 0.024 . 1 . . . . . 357 ASN N . 51487 1
363 . 1 . 1 37 37 MET H H 1 8.171 0.001 . 1 . . . . . 358 MET H . 51487 1
364 . 1 . 1 37 37 MET HA H 1 4.429 0.020 . 1 . . . . . 358 MET HA . 51487 1
365 . 1 . 1 37 37 MET HB2 H 1 2.096 0.020 . 1 . . . . . 358 MET HB2 . 51487 1
366 . 1 . 1 37 37 MET HB3 H 1 2.006 0.020 . 1 . . . . . 358 MET HB3 . 51487 1
367 . 1 . 1 37 37 MET HG2 H 1 2.603 0.020 . 1 . . . . . 358 MET HG2 . 51487 1
368 . 1 . 1 37 37 MET HG3 H 1 2.513 0.020 . 1 . . . . . 358 MET HG3 . 51487 1
369 . 1 . 1 37 37 MET C C 13 176.438 0.200 . 1 . . . . . 358 MET C . 51487 1
370 . 1 . 1 37 37 MET CA C 13 56.037 0.200 . 1 . . . . . 358 MET CA . 51487 1
371 . 1 . 1 37 37 MET CB C 13 32.976 0.032 . 1 . . . . . 358 MET CB . 51487 1
372 . 1 . 1 37 37 MET CG C 13 32.146 0.032 . 1 . . . . . 358 MET CG . 51487 1
373 . 1 . 1 37 37 MET N N 15 120.467 0.014 . 1 . . . . . 358 MET N . 51487 1
374 . 1 . 1 38 38 LYS H H 1 8.200 0.004 . 1 . . . . . 359 LYS H . 51487 1
375 . 1 . 1 38 38 LYS HA H 1 4.273 0.020 . 1 . . . . . 359 LYS HA . 51487 1
376 . 1 . 1 38 38 LYS HB2 H 1 1.842 0.020 . 1 . . . . . 359 LYS HB2 . 51487 1
377 . 1 . 1 38 38 LYS HB3 H 1 1.781 0.020 . 1 . . . . . 359 LYS HB3 . 51487 1
378 . 1 . 1 38 38 LYS HG2 H 1 1.471 0.020 . 1 . . . . . 359 LYS HG2 . 51487 1
379 . 1 . 1 38 38 LYS HG3 H 1 1.404 0.020 . 1 . . . . . 359 LYS HG3 . 51487 1
380 . 1 . 1 38 38 LYS HD2 H 1 1.686 0.020 . 2 . . . . . 359 LYS QD . 51487 1
381 . 1 . 1 38 38 LYS HD3 H 1 1.686 0.020 . 2 . . . . . 359 LYS QD . 51487 1
382 . 1 . 1 38 38 LYS HE2 H 1 3.002 0.020 . 2 . . . . . 359 LYS QE . 51487 1
383 . 1 . 1 38 38 LYS HE3 H 1 3.002 0.020 . 2 . . . . . 359 LYS QE . 51487 1
384 . 1 . 1 38 38 LYS C C 13 176.749 0.200 . 1 . . . . . 359 LYS C . 51487 1
385 . 1 . 1 38 38 LYS CA C 13 56.783 0.200 . 1 . . . . . 359 LYS CA . 51487 1
386 . 1 . 1 38 38 LYS CB C 13 32.894 0.067 . 1 . . . . . 359 LYS CB . 51487 1
387 . 1 . 1 38 38 LYS CG C 13 25.047 0.071 . 1 . . . . . 359 LYS CG . 51487 1
388 . 1 . 1 38 38 LYS CD C 13 29.144 0.200 . 1 . . . . . 359 LYS CD . 51487 1
389 . 1 . 1 38 38 LYS CE C 13 42.202 0.200 . 1 . . . . . 359 LYS CE . 51487 1
390 . 1 . 1 38 38 LYS N N 15 121.570 0.014 . 1 . . . . . 359 LYS N . 51487 1
391 . 1 . 1 39 39 GLN H H 1 8.157 0.003 . 1 . . . . . 360 GLN H . 51487 1
392 . 1 . 1 39 39 GLN HA H 1 4.282 0.020 . 1 . . . . . 360 GLN HA . 51487 1
393 . 1 . 1 39 39 GLN HG2 H 1 2.341 0.020 . 2 . . . . . 360 GLN QG . 51487 1
394 . 1 . 1 39 39 GLN HG3 H 1 2.341 0.020 . 2 . . . . . 360 GLN QG . 51487 1
395 . 1 . 1 39 39 GLN C C 13 176.022 0.200 . 1 . . . . . 360 GLN C . 51487 1
396 . 1 . 1 39 39 GLN CA C 13 56.079 0.200 . 1 . . . . . 360 GLN CA . 51487 1
397 . 1 . 1 39 39 GLN CB C 13 29.636 0.001 . 1 . . . . . 360 GLN CB . 51487 1
398 . 1 . 1 39 39 GLN CG C 13 33.941 0.200 . 1 . . . . . 360 GLN CG . 51487 1
399 . 1 . 1 39 39 GLN N N 15 120.694 0.013 . 1 . . . . . 360 GLN N . 51487 1
400 . 1 . 1 40 40 LYS H H 1 8.215 0.001 . 1 . . . . . 361 LYS H . 51487 1
401 . 1 . 1 40 40 LYS C C 13 176.309 0.200 . 1 . . . . . 361 LYS C . 51487 1
402 . 1 . 1 40 40 LYS CA C 13 56.674 0.200 . 1 . . . . . 361 LYS CA . 51487 1
403 . 1 . 1 40 40 LYS CB C 13 33.097 0.200 . 1 . . . . . 361 LYS CB . 51487 1
404 . 1 . 1 40 40 LYS N N 15 122.096 0.200 . 1 . . . . . 361 LYS N . 51487 1
405 . 1 . 1 41 41 HIS HB2 H 1 3.090 0.020 . 1 . . . . . 362 HIS HB2 . 51487 1
406 . 1 . 1 41 41 HIS HB3 H 1 3.034 0.020 . 1 . . . . . 362 HIS HB3 . 51487 1
407 . 1 . 1 41 41 HIS C C 13 174.741 0.200 . 1 . . . . . 362 HIS C . 51487 1
408 . 1 . 1 41 41 HIS CA C 13 56.000 0.200 . 1 . . . . . 362 HIS CA . 51487 1
409 . 1 . 1 41 41 HIS CB C 13 30.700 0.031 . 1 . . . . . 362 HIS CB . 51487 1
410 . 1 . 1 42 42 TYR H H 1 8.085 0.001 . 1 . . . . . 363 TYR H . 51487 1
411 . 1 . 1 42 42 TYR HA H 1 4.577 0.020 . 1 . . . . . 363 TYR HA . 51487 1
412 . 1 . 1 42 42 TYR HB2 H 1 2.963 0.020 . 1 . . . . . 363 TYR HB2 . 51487 1
413 . 1 . 1 42 42 TYR HB3 H 1 2.942 0.020 . 1 . . . . . 363 TYR HB3 . 51487 1
414 . 1 . 1 42 42 TYR C C 13 175.466 0.200 . 1 . . . . . 363 TYR C . 51487 1
415 . 1 . 1 42 42 TYR CA C 13 57.892 0.200 . 1 . . . . . 363 TYR CA . 51487 1
416 . 1 . 1 42 42 TYR CB C 13 39.136 0.027 . 1 . . . . . 363 TYR CB . 51487 1
417 . 1 . 1 42 42 TYR N N 15 122.094 0.009 . 1 . . . . . 363 TYR N . 51487 1
418 . 1 . 1 43 43 VAL H H 1 8.020 0.001 . 1 . . . . . 364 VAL H . 51487 1
419 . 1 . 1 43 43 VAL HA H 1 4.027 0.020 . 1 . . . . . 364 VAL HA . 51487 1
420 . 1 . 1 43 43 VAL HB H 1 1.993 0.020 . 1 . . . . . 364 VAL HB . 51487 1
421 . 1 . 1 43 43 VAL HG11 H 1 0.901 0.020 . 2 . . . . . 364 VAL QG1 . 51487 1
422 . 1 . 1 43 43 VAL HG12 H 1 0.901 0.020 . 2 . . . . . 364 VAL QG1 . 51487 1
423 . 1 . 1 43 43 VAL HG13 H 1 0.901 0.020 . 2 . . . . . 364 VAL QG1 . 51487 1
424 . 1 . 1 43 43 VAL HG21 H 1 0.897 0.020 . 2 . . . . . 364 VAL QG2 . 51487 1
425 . 1 . 1 43 43 VAL HG22 H 1 0.897 0.020 . 2 . . . . . 364 VAL QG2 . 51487 1
426 . 1 . 1 43 43 VAL HG23 H 1 0.897 0.020 . 2 . . . . . 364 VAL QG2 . 51487 1
427 . 1 . 1 43 43 VAL C C 13 175.802 0.200 . 1 . . . . . 364 VAL C . 51487 1
428 . 1 . 1 43 43 VAL CA C 13 62.380 0.200 . 1 . . . . . 364 VAL CA . 51487 1
429 . 1 . 1 43 43 VAL CB C 13 33.149 0.200 . 1 . . . . . 364 VAL CB . 51487 1
430 . 1 . 1 43 43 VAL CG1 C 13 20.938 0.200 . 1 . . . . . 364 VAL CG1 . 51487 1
431 . 1 . 1 43 43 VAL CG2 C 13 21.215 0.200 . 1 . . . . . 364 VAL CG2 . 51487 1
432 . 1 . 1 43 43 VAL N N 15 122.830 0.003 . 1 . . . . . 364 VAL N . 51487 1
433 . 1 . 1 44 44 ARG H H 1 8.293 0.001 . 1 . . . . . 365 ARG H . 51487 1
434 . 1 . 1 44 44 ARG HG2 H 1 1.666 0.020 . 2 . . . . . 365 ARG QG . 51487 1
435 . 1 . 1 44 44 ARG HG3 H 1 1.666 0.020 . 2 . . . . . 365 ARG QG . 51487 1
436 . 1 . 1 44 44 ARG HD2 H 1 3.211 0.020 . 2 . . . . . 365 ARG QD . 51487 1
437 . 1 . 1 44 44 ARG HD3 H 1 3.211 0.020 . 2 . . . . . 365 ARG QD . 51487 1
438 . 1 . 1 44 44 ARG C C 13 176.848 0.200 . 1 . . . . . 365 ARG C . 51487 1
439 . 1 . 1 44 44 ARG CA C 13 56.582 0.200 . 1 . . . . . 365 ARG CA . 51487 1
440 . 1 . 1 44 44 ARG CB C 13 30.905 0.200 . 1 . . . . . 365 ARG CB . 51487 1
441 . 1 . 1 44 44 ARG CG C 13 27.395 0.200 . 1 . . . . . 365 ARG CG . 51487 1
442 . 1 . 1 44 44 ARG CD C 13 43.598 0.200 . 1 . . . . . 365 ARG CD . 51487 1
443 . 1 . 1 44 44 ARG N N 15 124.914 0.007 . 1 . . . . . 365 ARG N . 51487 1
444 . 1 . 1 45 45 GLY H H 1 8.355 0.005 . 1 . . . . . 366 GLY H . 51487 1
445 . 1 . 1 45 45 GLY HA2 H 1 3.925 0.020 . 2 . . . . . 366 GLY QA . 51487 1
446 . 1 . 1 45 45 GLY HA3 H 1 3.925 0.020 . 2 . . . . . 366 GLY QA . 51487 1
447 . 1 . 1 45 45 GLY C C 13 174.126 0.200 . 1 . . . . . 366 GLY C . 51487 1
448 . 1 . 1 45 45 GLY CA C 13 45.560 0.200 . 1 . . . . . 366 GLY CA . 51487 1
449 . 1 . 1 45 45 GLY N N 15 109.913 0.015 . 1 . . . . . 366 GLY N . 51487 1
450 . 1 . 1 46 46 ARG H H 1 8.180 0.020 . 1 . . . . . 367 ARG H . 51487 1
451 . 1 . 1 46 46 ARG HA H 1 4.288 0.020 . 1 . . . . . 367 ARG HA . 51487 1
452 . 1 . 1 46 46 ARG HB2 H 1 1.841 0.020 . 1 . . . . . 367 ARG HB2 . 51487 1
453 . 1 . 1 46 46 ARG HB3 H 1 1.745 0.020 . 1 . . . . . 367 ARG HB3 . 51487 1
454 . 1 . 1 46 46 ARG HG2 H 1 1.638 0.020 . 2 . . . . . 367 ARG QG . 51487 1
455 . 1 . 1 46 46 ARG HG3 H 1 1.638 0.020 . 2 . . . . . 367 ARG QG . 51487 1
456 . 1 . 1 46 46 ARG HD2 H 1 3.181 0.020 . 2 . . . . . 367 ARG QD . 51487 1
457 . 1 . 1 46 46 ARG HD3 H 1 3.181 0.020 . 2 . . . . . 367 ARG QD . 51487 1
458 . 1 . 1 46 46 ARG C C 13 176.343 0.200 . 1 . . . . . 367 ARG C . 51487 1
459 . 1 . 1 46 46 ARG CA C 13 56.466 0.200 . 1 . . . . . 367 ARG CA . 51487 1
460 . 1 . 1 46 46 ARG CB C 13 31.060 0.076 . 1 . . . . . 367 ARG CB . 51487 1
461 . 1 . 1 46 46 ARG CG C 13 27.137 0.200 . 1 . . . . . 367 ARG CG . 51487 1
462 . 1 . 1 46 46 ARG CD C 13 43.585 0.200 . 1 . . . . . 367 ARG CD . 51487 1
463 . 1 . 1 46 46 ARG N N 15 120.235 0.200 . 1 . . . . . 367 ARG N . 51487 1
464 . 1 . 1 47 47 ALA H H 1 8.273 0.006 . 1 . . . . . 368 ALA H . 51487 1
465 . 1 . 1 47 47 ALA HA H 1 4.299 0.020 . 1 . . . . . 368 ALA HA . 51487 1
466 . 1 . 1 47 47 ALA HB1 H 1 1.384 0.020 . 1 . . . . . 368 ALA HB# . 51487 1
467 . 1 . 1 47 47 ALA HB2 H 1 1.384 0.020 . 1 . . . . . 368 ALA HB# . 51487 1
468 . 1 . 1 47 47 ALA HB3 H 1 1.384 0.020 . 1 . . . . . 368 ALA HB# . 51487 1
469 . 1 . 1 47 47 ALA C C 13 177.916 0.200 . 1 . . . . . 368 ALA C . 51487 1
470 . 1 . 1 47 47 ALA CA C 13 52.793 0.200 . 1 . . . . . 368 ALA CA . 51487 1
471 . 1 . 1 47 47 ALA CB C 13 19.144 0.200 . 1 . . . . . 368 ALA CB . 51487 1
472 . 1 . 1 47 47 ALA N N 15 124.811 0.014 . 1 . . . . . 368 ALA N . 51487 1
473 . 1 . 1 48 48 LEU H H 1 8.090 0.001 . 1 . . . . . 369 LEU H . 51487 1
474 . 1 . 1 48 48 LEU HA H 1 4.296 0.020 . 1 . . . . . 369 LEU HA . 51487 1
475 . 1 . 1 48 48 LEU HB2 H 1 1.618 0.020 . 2 . . . . . 369 LEU QB . 51487 1
476 . 1 . 1 48 48 LEU HB3 H 1 1.618 0.020 . 2 . . . . . 369 LEU QB . 51487 1
477 . 1 . 1 48 48 LEU HG H 1 1.622 0.020 . 1 . . . . . 369 LEU HG . 51487 1
478 . 1 . 1 48 48 LEU HD11 H 1 0.920 0.020 . 2 . . . . . 369 LEU QD1 . 51487 1
479 . 1 . 1 48 48 LEU HD12 H 1 0.920 0.020 . 2 . . . . . 369 LEU QD1 . 51487 1
480 . 1 . 1 48 48 LEU HD13 H 1 0.920 0.020 . 2 . . . . . 369 LEU QD1 . 51487 1
481 . 1 . 1 48 48 LEU HD21 H 1 0.875 0.020 . 2 . . . . . 369 LEU QD2 . 51487 1
482 . 1 . 1 48 48 LEU HD22 H 1 0.875 0.020 . 2 . . . . . 369 LEU QD2 . 51487 1
483 . 1 . 1 48 48 LEU HD23 H 1 0.875 0.020 . 2 . . . . . 369 LEU QD2 . 51487 1
484 . 1 . 1 48 48 LEU C C 13 177.738 0.200 . 1 . . . . . 369 LEU C . 51487 1
485 . 1 . 1 48 48 LEU CA C 13 55.676 0.200 . 1 . . . . . 369 LEU CA . 51487 1
486 . 1 . 1 48 48 LEU CB C 13 42.300 0.200 . 1 . . . . . 369 LEU CB . 51487 1
487 . 1 . 1 48 48 LEU CG C 13 27.122 0.200 . 1 . . . . . 369 LEU CG . 51487 1
488 . 1 . 1 48 48 LEU CD1 C 13 24.952 0.200 . 1 . . . . . 369 LEU CD1 . 51487 1
489 . 1 . 1 48 48 LEU CD2 C 13 23.908 0.200 . 1 . . . . . 369 LEU CD2 . 51487 1
490 . 1 . 1 48 48 LEU N N 15 121.569 0.002 . 1 . . . . . 369 LEU N . 51487 1
491 . 1 . 1 49 49 ARG H H 1 8.214 0.006 . 1 . . . . . 370 ARG H . 51487 1
492 . 1 . 1 49 49 ARG HA H 1 4.305 0.020 . 1 . . . . . 370 ARG HA . 51487 1
493 . 1 . 1 49 49 ARG HB2 H 1 1.883 0.020 . 2 . . . . . 370 ARG QB . 51487 1
494 . 1 . 1 49 49 ARG HB3 H 1 1.883 0.020 . 2 . . . . . 370 ARG QB . 51487 1
495 . 1 . 1 49 49 ARG HG2 H 1 1.634 0.020 . 2 . . . . . 370 ARG QG . 51487 1
496 . 1 . 1 49 49 ARG HG3 H 1 1.634 0.020 . 2 . . . . . 370 ARG QG . 51487 1
497 . 1 . 1 49 49 ARG HD2 H 1 3.203 0.020 . 2 . . . . . 370 ARG QD . 51487 1
498 . 1 . 1 49 49 ARG HD3 H 1 3.203 0.020 . 2 . . . . . 370 ARG QD . 51487 1
499 . 1 . 1 49 49 ARG C C 13 176.715 0.200 . 1 . . . . . 370 ARG C . 51487 1
500 . 1 . 1 49 49 ARG CA C 13 56.744 0.200 . 1 . . . . . 370 ARG CA . 51487 1
501 . 1 . 1 49 49 ARG CB C 13 30.495 0.200 . 1 . . . . . 370 ARG CB . 51487 1
502 . 1 . 1 49 49 ARG CG C 13 27.388 0.200 . 1 . . . . . 370 ARG CG . 51487 1
503 . 1 . 1 49 49 ARG CD C 13 43.543 0.200 . 1 . . . . . 370 ARG CD . 51487 1
504 . 1 . 1 49 49 ARG N N 15 121.166 0.048 . 1 . . . . . 370 ARG N . 51487 1
505 . 1 . 1 50 50 SER H H 1 8.155 0.022 . 1 . . . . . 371 SER H . 51487 1
506 . 1 . 1 50 50 SER HA H 1 4.387 0.020 . 1 . . . . . 371 SER HA . 51487 1
507 . 1 . 1 50 50 SER C C 13 175.014 0.200 . 1 . . . . . 371 SER C . 51487 1
508 . 1 . 1 50 50 SER CA C 13 58.985 0.200 . 1 . . . . . 371 SER CA . 51487 1
509 . 1 . 1 50 50 SER CB C 13 63.768 0.200 . 1 . . . . . 371 SER CB . 51487 1
510 . 1 . 1 50 50 SER N N 15 116.096 0.041 . 1 . . . . . 371 SER N . 51487 1
511 . 1 . 1 51 51 ARG H H 1 8.249 0.020 . 1 . . . . . 372 ARG H . 51487 1
512 . 1 . 1 51 51 ARG HA H 1 4.293 0.020 . 1 . . . . . 372 ARG HA . 51487 1
513 . 1 . 1 51 51 ARG HB2 H 1 1.878 0.020 . 1 . . . . . 372 ARG HB2 . 51487 1
514 . 1 . 1 51 51 ARG HB3 H 1 1.811 0.020 . 1 . . . . . 372 ARG HB3 . 51487 1
515 . 1 . 1 51 51 ARG HG2 H 1 1.663 0.020 . 1 . . . . . 372 ARG HG2 . 51487 1
516 . 1 . 1 51 51 ARG HG3 H 1 1.631 0.020 . 1 . . . . . 372 ARG HG3 . 51487 1
517 . 1 . 1 51 51 ARG HD2 H 1 3.199 0.020 . 2 . . . . . 372 ARG QD . 51487 1
518 . 1 . 1 51 51 ARG HD3 H 1 3.199 0.020 . 2 . . . . . 372 ARG QD . 51487 1
519 . 1 . 1 51 51 ARG C C 13 176.516 0.200 . 1 . . . . . 372 ARG C . 51487 1
520 . 1 . 1 51 51 ARG CA C 13 56.958 0.200 . 1 . . . . . 372 ARG CA . 51487 1
521 . 1 . 1 51 51 ARG CB C 13 30.850 0.004 . 1 . . . . . 372 ARG CB . 51487 1
522 . 1 . 1 51 51 ARG CG C 13 27.381 0.003 . 1 . . . . . 372 ARG CG . 51487 1
523 . 1 . 1 51 51 ARG CD C 13 43.631 0.200 . 1 . . . . . 372 ARG CD . 51487 1
524 . 1 . 1 51 51 ARG N N 15 122.814 0.200 . 1 . . . . . 372 ARG N . 51487 1
525 . 1 . 1 52 52 LEU H H 1 8.059 0.002 . 1 . . . . . 373 LEU H . 51487 1
526 . 1 . 1 52 52 LEU HA H 1 4.301 0.020 . 1 . . . . . 373 LEU HA . 51487 1
527 . 1 . 1 52 52 LEU HB2 H 1 1.647 0.020 . 1 . . . . . 373 LEU HB2 . 51487 1
528 . 1 . 1 52 52 LEU HB3 H 1 1.578 0.020 . 1 . . . . . 373 LEU HB3 . 51487 1
529 . 1 . 1 52 52 LEU HG H 1 1.610 0.020 . 1 . . . . . 373 LEU HG . 51487 1
530 . 1 . 1 52 52 LEU HD11 H 1 0.860 0.020 . 2 . . . . . 373 LEU QD1 . 51487 1
531 . 1 . 1 52 52 LEU HD12 H 1 0.860 0.020 . 2 . . . . . 373 LEU QD1 . 51487 1
532 . 1 . 1 52 52 LEU HD13 H 1 0.860 0.020 . 2 . . . . . 373 LEU QD1 . 51487 1
533 . 1 . 1 52 52 LEU HD21 H 1 0.919 0.020 . 2 . . . . . 373 LEU QD2 . 51487 1
534 . 1 . 1 52 52 LEU HD22 H 1 0.919 0.020 . 2 . . . . . 373 LEU QD2 . 51487 1
535 . 1 . 1 52 52 LEU HD23 H 1 0.919 0.020 . 2 . . . . . 373 LEU QD2 . 51487 1
536 . 1 . 1 52 52 LEU C C 13 177.399 0.200 . 1 . . . . . 373 LEU C . 51487 1
537 . 1 . 1 52 52 LEU CA C 13 55.663 0.200 . 1 . . . . . 373 LEU CA . 51487 1
538 . 1 . 1 52 52 LEU CB C 13 42.349 0.033 . 1 . . . . . 373 LEU CB . 51487 1
539 . 1 . 1 52 52 LEU CG C 13 27.106 0.200 . 1 . . . . . 373 LEU CG . 51487 1
540 . 1 . 1 52 52 LEU CD1 C 13 23.718 0.200 . 1 . . . . . 373 LEU CD1 . 51487 1
541 . 1 . 1 52 52 LEU CD2 C 13 24.926 0.200 . 1 . . . . . 373 LEU CD2 . 51487 1
542 . 1 . 1 52 52 LEU N N 15 122.113 0.020 . 1 . . . . . 373 LEU N . 51487 1
543 . 1 . 1 53 53 LEU H H 1 8.027 0.002 . 1 . . . . . 374 LEU H . 51487 1
544 . 1 . 1 53 53 LEU HA H 1 4.331 0.020 . 1 . . . . . 374 LEU HA . 51487 1
545 . 1 . 1 53 53 LEU HB2 H 1 1.674 0.020 . 2 . . . . . 374 LEU QB . 51487 1
546 . 1 . 1 53 53 LEU HB3 H 1 1.674 0.020 . 2 . . . . . 374 LEU QB . 51487 1
547 . 1 . 1 53 53 LEU HG H 1 1.617 0.020 . 1 . . . . . 374 LEU HG . 51487 1
548 . 1 . 1 53 53 LEU HD11 H 1 0.924 0.020 . 2 . . . . . 374 LEU QD1 . 51487 1
549 . 1 . 1 53 53 LEU HD12 H 1 0.924 0.020 . 2 . . . . . 374 LEU QD1 . 51487 1
550 . 1 . 1 53 53 LEU HD13 H 1 0.924 0.020 . 2 . . . . . 374 LEU QD1 . 51487 1
551 . 1 . 1 53 53 LEU HD21 H 1 0.862 0.020 . 2 . . . . . 374 LEU QD2 . 51487 1
552 . 1 . 1 53 53 LEU HD22 H 1 0.862 0.020 . 2 . . . . . 374 LEU QD2 . 51487 1
553 . 1 . 1 53 53 LEU HD23 H 1 0.862 0.020 . 2 . . . . . 374 LEU QD2 . 51487 1
554 . 1 . 1 53 53 LEU C C 13 177.473 0.200 . 1 . . . . . 374 LEU C . 51487 1
555 . 1 . 1 53 53 LEU CA C 13 55.456 0.200 . 1 . . . . . 374 LEU CA . 51487 1
556 . 1 . 1 53 53 LEU CB C 13 42.237 0.200 . 1 . . . . . 374 LEU CB . 51487 1
557 . 1 . 1 53 53 LEU CG C 13 27.168 0.200 . 1 . . . . . 374 LEU CG . 51487 1
558 . 1 . 1 53 53 LEU CD1 C 13 25.032 0.200 . 1 . . . . . 374 LEU CD1 . 51487 1
559 . 1 . 1 53 53 LEU CD2 C 13 23.615 0.200 . 1 . . . . . 374 LEU CD2 . 51487 1
560 . 1 . 1 53 53 LEU N N 15 122.635 0.025 . 1 . . . . . 374 LEU N . 51487 1
561 . 1 . 1 54 54 ARG H H 1 8.103 0.005 . 1 . . . . . 375 ARG H . 51487 1
562 . 1 . 1 54 54 ARG HA H 1 4.295 0.020 . 1 . . . . . 375 ARG HA . 51487 1
563 . 1 . 1 54 54 ARG HB2 H 1 1.781 0.020 . 2 . . . . . 375 ARG QB . 51487 1
564 . 1 . 1 54 54 ARG HB3 H 1 1.781 0.020 . 2 . . . . . 375 ARG QB . 51487 1
565 . 1 . 1 54 54 ARG HG2 H 1 1.635 0.020 . 1 . . . . . 375 ARG HG2 . 51487 1
566 . 1 . 1 54 54 ARG HG3 H 1 1.589 0.020 . 1 . . . . . 375 ARG HG3 . 51487 1
567 . 1 . 1 54 54 ARG HD2 H 1 3.170 0.020 . 2 . . . . . 375 ARG QD . 51487 1
568 . 1 . 1 54 54 ARG HD3 H 1 3.170 0.020 . 2 . . . . . 375 ARG QD . 51487 1
569 . 1 . 1 54 54 ARG C C 13 176.500 0.200 . 1 . . . . . 375 ARG C . 51487 1
570 . 1 . 1 54 54 ARG CA C 13 56.495 0.200 . 1 . . . . . 375 ARG CA . 51487 1
571 . 1 . 1 54 54 ARG CB C 13 30.888 0.200 . 1 . . . . . 375 ARG CB . 51487 1
572 . 1 . 1 54 54 ARG CG C 13 27.363 0.013 . 1 . . . . . 375 ARG CG . 51487 1
573 . 1 . 1 54 54 ARG CD C 13 43.577 0.200 . 1 . . . . . 375 ARG CD . 51487 1
574 . 1 . 1 54 54 ARG N N 15 121.528 0.037 . 1 . . . . . 375 ARG N . 51487 1
575 . 1 . 1 55 55 LYS H H 1 8.175 0.003 . 1 . . . . . 376 LYS H . 51487 1
576 . 1 . 1 55 55 LYS HA H 1 4.229 0.020 . 1 . . . . . 376 LYS HA . 51487 1
577 . 1 . 1 55 55 LYS HB2 H 1 1.757 0.020 . 2 . . . . . 376 LYS QB . 51487 1
578 . 1 . 1 55 55 LYS HB3 H 1 1.757 0.020 . 2 . . . . . 376 LYS QB . 51487 1
579 . 1 . 1 55 55 LYS HG2 H 1 1.369 0.020 . 2 . . . . . 376 LYS QG . 51487 1
580 . 1 . 1 55 55 LYS HG3 H 1 1.369 0.020 . 2 . . . . . 376 LYS QG . 51487 1
581 . 1 . 1 55 55 LYS HD2 H 1 1.661 0.020 . 2 . . . . . 376 LYS QD . 51487 1
582 . 1 . 1 55 55 LYS HD3 H 1 1.661 0.020 . 2 . . . . . 376 LYS QD . 51487 1
583 . 1 . 1 55 55 LYS HE2 H 1 2.976 0.020 . 2 . . . . . 376 LYS QE . 51487 1
584 . 1 . 1 55 55 LYS HE3 H 1 2.976 0.020 . 2 . . . . . 376 LYS QE . 51487 1
585 . 1 . 1 55 55 LYS C C 13 176.786 0.200 . 1 . . . . . 376 LYS C . 51487 1
586 . 1 . 1 55 55 LYS CA C 13 56.940 0.200 . 1 . . . . . 376 LYS CA . 51487 1
587 . 1 . 1 55 55 LYS CB C 13 33.121 0.200 . 1 . . . . . 376 LYS CB . 51487 1
588 . 1 . 1 55 55 LYS CG C 13 24.976 0.200 . 1 . . . . . 376 LYS CG . 51487 1
589 . 1 . 1 55 55 LYS CD C 13 29.145 0.200 . 1 . . . . . 376 LYS CD . 51487 1
590 . 1 . 1 55 55 LYS CE C 13 42.112 0.200 . 1 . . . . . 376 LYS CE . 51487 1
591 . 1 . 1 55 55 LYS N N 15 121.994 0.026 . 1 . . . . . 376 LYS N . 51487 1
592 . 1 . 1 56 56 GLN H H 1 8.253 0.004 . 1 . . . . . 377 GLN H . 51487 1
593 . 1 . 1 56 56 GLN HA H 1 4.217 0.020 . 1 . . . . . 377 GLN HA . 51487 1
594 . 1 . 1 56 56 GLN HB2 H 1 1.900 0.020 . 2 . . . . . 377 GLN QB . 51487 1
595 . 1 . 1 56 56 GLN HB3 H 1 1.900 0.020 . 2 . . . . . 377 GLN QB . 51487 1
596 . 1 . 1 56 56 GLN HG2 H 1 2.307 0.020 . 2 . . . . . 377 GLN QG . 51487 1
597 . 1 . 1 56 56 GLN HG3 H 1 2.307 0.020 . 2 . . . . . 377 GLN QG . 51487 1
598 . 1 . 1 56 56 GLN C C 13 175.994 0.200 . 1 . . . . . 377 GLN C . 51487 1
599 . 1 . 1 56 56 GLN CA C 13 56.176 0.200 . 1 . . . . . 377 GLN CA . 51487 1
600 . 1 . 1 56 56 GLN CB C 13 29.477 0.200 . 1 . . . . . 377 GLN CB . 51487 1
601 . 1 . 1 56 56 GLN CG C 13 33.924 0.200 . 1 . . . . . 377 GLN CG . 51487 1
602 . 1 . 1 56 56 GLN N N 15 120.857 0.023 . 1 . . . . . 377 GLN N . 51487 1
603 . 1 . 1 57 57 ALA H H 1 8.190 0.006 . 1 . . . . . 378 ALA H . 51487 1
604 . 1 . 1 57 57 ALA HA H 1 4.257 0.020 . 1 . . . . . 378 ALA HA . 51487 1
605 . 1 . 1 57 57 ALA HB1 H 1 1.361 0.020 . 1 . . . . . 378 ALA HB# . 51487 1
606 . 1 . 1 57 57 ALA HB2 H 1 1.361 0.020 . 1 . . . . . 378 ALA HB# . 51487 1
607 . 1 . 1 57 57 ALA HB3 H 1 1.361 0.020 . 1 . . . . . 378 ALA HB# . 51487 1
608 . 1 . 1 57 57 ALA C C 13 177.744 0.200 . 1 . . . . . 378 ALA C . 51487 1
609 . 1 . 1 57 57 ALA CA C 13 53.034 0.200 . 1 . . . . . 378 ALA CA . 51487 1
610 . 1 . 1 57 57 ALA CB C 13 19.176 0.200 . 1 . . . . . 378 ALA CB . 51487 1
611 . 1 . 1 57 57 ALA N N 15 124.773 0.015 . 1 . . . . . 378 ALA N . 51487 1
612 . 1 . 1 58 58 TRP H H 1 7.946 0.001 . 1 . . . . . 379 TRP H . 51487 1
613 . 1 . 1 58 58 TRP HA H 1 4.595 0.020 . 1 . . . . . 379 TRP HA . 51487 1
614 . 1 . 1 58 58 TRP HB2 H 1 3.285 0.020 . 2 . . . . . 379 TRP QB . 51487 1
615 . 1 . 1 58 58 TRP HB3 H 1 3.285 0.020 . 2 . . . . . 379 TRP QB . 51487 1
616 . 1 . 1 58 58 TRP HE1 H 1 10.104 0.020 . 1 . . . . . 379 TRP HE1 . 51487 1
617 . 1 . 1 58 58 TRP C C 13 176.394 0.200 . 1 . . . . . 379 TRP C . 51487 1
618 . 1 . 1 58 58 TRP CA C 13 57.658 0.200 . 1 . . . . . 379 TRP CA . 51487 1
619 . 1 . 1 58 58 TRP CB C 13 29.529 0.200 . 1 . . . . . 379 TRP CB . 51487 1
620 . 1 . 1 58 58 TRP N N 15 119.810 0.006 . 1 . . . . . 379 TRP N . 51487 1
621 . 1 . 1 58 58 TRP NE1 N 15 129.477 0.200 . 1 . . . . . 379 TRP NE1 . 51487 1
622 . 1 . 1 59 59 LYS H H 1 7.800 0.001 . 1 . . . . . 380 LYS H . 51487 1
623 . 1 . 1 59 59 LYS HA H 1 4.099 0.020 . 1 . . . . . 380 LYS HA . 51487 1
624 . 1 . 1 59 59 LYS HB2 H 1 1.689 0.020 . 2 . . . . . 380 LYS QB . 51487 1
625 . 1 . 1 59 59 LYS HB3 H 1 1.689 0.020 . 2 . . . . . 380 LYS QB . 51487 1
626 . 1 . 1 59 59 LYS HG2 H 1 1.164 0.020 . 2 . . . . . 380 LYS QG . 51487 1
627 . 1 . 1 59 59 LYS HG3 H 1 1.164 0.020 . 2 . . . . . 380 LYS QG . 51487 1
628 . 1 . 1 59 59 LYS HD2 H 1 1.576 0.020 . 2 . . . . . 380 LYS QD . 51487 1
629 . 1 . 1 59 59 LYS HD3 H 1 1.576 0.020 . 2 . . . . . 380 LYS QD . 51487 1
630 . 1 . 1 59 59 LYS HE2 H 1 2.907 0.020 . 2 . . . . . 380 LYS QE . 51487 1
631 . 1 . 1 59 59 LYS HE3 H 1 2.907 0.020 . 2 . . . . . 380 LYS QE . 51487 1
632 . 1 . 1 59 59 LYS C C 13 176.416 0.200 . 1 . . . . . 380 LYS C . 51487 1
633 . 1 . 1 59 59 LYS CA C 13 56.739 0.200 . 1 . . . . . 380 LYS CA . 51487 1
634 . 1 . 1 59 59 LYS CB C 13 33.025 0.200 . 1 . . . . . 380 LYS CB . 51487 1
635 . 1 . 1 59 59 LYS CG C 13 24.718 0.200 . 1 . . . . . 380 LYS CG . 51487 1
636 . 1 . 1 59 59 LYS CD C 13 29.148 0.200 . 1 . . . . . 380 LYS CD . 51487 1
637 . 1 . 1 59 59 LYS CE C 13 42.141 0.200 . 1 . . . . . 380 LYS CE . 51487 1
638 . 1 . 1 59 59 LYS N N 15 122.063 0.200 . 1 . . . . . 380 LYS N . 51487 1
639 . 1 . 1 60 60 GLN H H 1 7.954 0.010 . 1 . . . . . 381 GLN H . 51487 1
640 . 1 . 1 60 60 GLN HA H 1 4.129 0.020 . 1 . . . . . 381 GLN HA . 51487 1
641 . 1 . 1 60 60 GLN HG2 H 1 2.248 0.020 . 2 . . . . . 381 GLN QG . 51487 1
642 . 1 . 1 60 60 GLN HG3 H 1 2.248 0.020 . 2 . . . . . 381 GLN QG . 51487 1
643 . 1 . 1 60 60 GLN C C 13 176.112 0.200 . 1 . . . . . 381 GLN C . 51487 1
644 . 1 . 1 60 60 GLN CA C 13 56.256 0.200 . 1 . . . . . 381 GLN CA . 51487 1
645 . 1 . 1 60 60 GLN CB C 13 29.257 0.200 . 1 . . . . . 381 GLN CB . 51487 1
646 . 1 . 1 60 60 GLN CG C 13 33.860 0.200 . 1 . . . . . 381 GLN CG . 51487 1
647 . 1 . 1 60 60 GLN N N 15 120.195 0.035 . 1 . . . . . 381 GLN N . 51487 1
648 . 1 . 1 61 61 LYS H H 1 8.066 0.002 . 1 . . . . . 382 LYS H . 51487 1
649 . 1 . 1 61 61 LYS HA H 1 4.173 0.020 . 1 . . . . . 382 LYS HA . 51487 1
650 . 1 . 1 61 61 LYS HB2 H 1 1.650 0.020 . 2 . . . . . 382 LYS QB . 51487 1
651 . 1 . 1 61 61 LYS HB3 H 1 1.650 0.020 . 2 . . . . . 382 LYS QB . 51487 1
652 . 1 . 1 61 61 LYS HG2 H 1 1.274 0.020 . 1 . . . . . 382 LYS HG2 . 51487 1
653 . 1 . 1 61 61 LYS HG3 H 1 1.201 0.020 . 1 . . . . . 382 LYS HG3 . 51487 1
654 . 1 . 1 61 61 LYS HD2 H 1 1.571 0.020 . 2 . . . . . 382 LYS QD . 51487 1
655 . 1 . 1 61 61 LYS HD3 H 1 1.571 0.020 . 2 . . . . . 382 LYS QD . 51487 1
656 . 1 . 1 61 61 LYS HE2 H 1 2.880 0.020 . 2 . . . . . 382 LYS QE . 51487 1
657 . 1 . 1 61 61 LYS HE3 H 1 2.880 0.020 . 2 . . . . . 382 LYS QE . 51487 1
658 . 1 . 1 61 61 LYS C C 13 176.317 0.200 . 1 . . . . . 382 LYS C . 51487 1
659 . 1 . 1 61 61 LYS CA C 13 56.915 0.200 . 1 . . . . . 382 LYS CA . 51487 1
660 . 1 . 1 61 61 LYS CB C 13 33.038 0.200 . 1 . . . . . 382 LYS CB . 51487 1
661 . 1 . 1 61 61 LYS CG C 13 24.778 0.016 . 1 . . . . . 382 LYS CG . 51487 1
662 . 1 . 1 61 61 LYS CD C 13 29.164 0.200 . 1 . . . . . 382 LYS CD . 51487 1
663 . 1 . 1 61 61 LYS CE C 13 42.090 0.200 . 1 . . . . . 382 LYS CE . 51487 1
664 . 1 . 1 61 61 LYS N N 15 121.734 0.001 . 1 . . . . . 382 LYS N . 51487 1
665 . 1 . 1 62 62 TRP H H 1 7.903 0.004 . 1 . . . . . 383 TRP H . 51487 1
666 . 1 . 1 62 62 TRP HA H 1 4.675 0.020 . 1 . . . . . 383 TRP HA . 51487 1
667 . 1 . 1 62 62 TRP HB2 H 1 3.269 0.020 . 1 . . . . . 383 TRP HB2 . 51487 1
668 . 1 . 1 62 62 TRP HB3 H 1 3.173 0.020 . 1 . . . . . 383 TRP HB3 . 51487 1
669 . 1 . 1 62 62 TRP HE1 H 1 10.040 0.020 . 1 . . . . . 383 TRP HE1 . 51487 1
670 . 1 . 1 62 62 TRP C C 13 176.056 0.200 . 1 . . . . . 383 TRP C . 51487 1
671 . 1 . 1 62 62 TRP CA C 13 57.088 0.200 . 1 . . . . . 383 TRP CA . 51487 1
672 . 1 . 1 62 62 TRP CB C 13 29.758 0.001 . 1 . . . . . 383 TRP CB . 51487 1
673 . 1 . 1 62 62 TRP N N 15 120.932 0.023 . 1 . . . . . 383 TRP N . 51487 1
674 . 1 . 1 62 62 TRP NE1 N 15 129.268 0.200 . 1 . . . . . 383 TRP NE1 . 51487 1
675 . 1 . 1 63 63 ARG H H 1 7.944 0.003 . 1 . . . . . 384 ARG H . 51487 1
676 . 1 . 1 63 63 ARG HA H 1 4.243 0.020 . 1 . . . . . 384 ARG HA . 51487 1
677 . 1 . 1 63 63 ARG HB2 H 1 1.740 0.020 . 1 . . . . . 384 ARG HB2 . 51487 1
678 . 1 . 1 63 63 ARG HB3 H 1 1.626 0.020 . 1 . . . . . 384 ARG HB3 . 51487 1
679 . 1 . 1 63 63 ARG HG2 H 1 1.455 0.020 . 2 . . . . . 384 ARG QG . 51487 1
680 . 1 . 1 63 63 ARG HG3 H 1 1.455 0.020 . 2 . . . . . 384 ARG QG . 51487 1
681 . 1 . 1 63 63 ARG HD2 H 1 3.088 0.020 . 2 . . . . . 384 ARG QD . 51487 1
682 . 1 . 1 63 63 ARG HD3 H 1 3.088 0.020 . 2 . . . . . 384 ARG QD . 51487 1
683 . 1 . 1 63 63 ARG C C 13 175.885 0.200 . 1 . . . . . 384 ARG C . 51487 1
684 . 1 . 1 63 63 ARG CA C 13 56.132 0.200 . 1 . . . . . 384 ARG CA . 51487 1
685 . 1 . 1 63 63 ARG CB C 13 31.047 0.195 . 1 . . . . . 384 ARG CB . 51487 1
686 . 1 . 1 63 63 ARG CG C 13 27.172 0.200 . 1 . . . . . 384 ARG CG . 51487 1
687 . 1 . 1 63 63 ARG CD C 13 43.562 0.200 . 1 . . . . . 384 ARG CD . 51487 1
688 . 1 . 1 63 63 ARG N N 15 122.370 0.011 . 1 . . . . . 384 ARG N . 51487 1
689 . 1 . 1 64 64 LYS H H 1 8.127 0.006 . 1 . . . . . 385 LYS H . 51487 1
690 . 1 . 1 64 64 LYS HA H 1 4.203 0.020 . 1 . . . . . 385 LYS HA . 51487 1
691 . 1 . 1 64 64 LYS HB2 H 1 1.797 0.020 . 2 . . . . . 385 LYS QB . 51487 1
692 . 1 . 1 64 64 LYS HB3 H 1 1.797 0.020 . 2 . . . . . 385 LYS QB . 51487 1
693 . 1 . 1 64 64 LYS HG2 H 1 1.387 0.020 . 2 . . . . . 385 LYS QG . 51487 1
694 . 1 . 1 64 64 LYS HG3 H 1 1.387 0.020 . 2 . . . . . 385 LYS QG . 51487 1
695 . 1 . 1 64 64 LYS HD2 H 1 1.656 0.020 . 2 . . . . . 385 LYS QD . 51487 1
696 . 1 . 1 64 64 LYS HD3 H 1 1.656 0.020 . 2 . . . . . 385 LYS QD . 51487 1
697 . 1 . 1 64 64 LYS HE2 H 1 2.962 0.020 . 2 . . . . . 385 LYS QE . 51487 1
698 . 1 . 1 64 64 LYS HE3 H 1 2.962 0.020 . 2 . . . . . 385 LYS QE . 51487 1
699 . 1 . 1 64 64 LYS C C 13 176.496 0.200 . 1 . . . . . 385 LYS C . 51487 1
700 . 1 . 1 64 64 LYS CA C 13 56.521 0.200 . 1 . . . . . 385 LYS CA . 51487 1
701 . 1 . 1 64 64 LYS CB C 13 33.354 0.200 . 1 . . . . . 385 LYS CB . 51487 1
702 . 1 . 1 64 64 LYS CG C 13 25.034 0.200 . 1 . . . . . 385 LYS CG . 51487 1
703 . 1 . 1 64 64 LYS CD C 13 29.197 0.200 . 1 . . . . . 385 LYS CD . 51487 1
704 . 1 . 1 64 64 LYS CE C 13 42.147 0.200 . 1 . . . . . 385 LYS CE . 51487 1
705 . 1 . 1 64 64 LYS N N 15 122.354 0.028 . 1 . . . . . 385 LYS N . 51487 1
706 . 1 . 1 65 65 LYS H H 1 8.253 0.004 . 1 . . . . . 386 LYS H . 51487 1
707 . 1 . 1 65 65 LYS HA H 1 4.233 0.020 . 1 . . . . . 386 LYS HA . 51487 1
708 . 1 . 1 65 65 LYS HB2 H 1 1.819 0.020 . 1 . . . . . 386 LYS HB2 . 51487 1
709 . 1 . 1 65 65 LYS HB3 H 1 1.753 0.020 . 1 . . . . . 386 LYS HB3 . 51487 1
710 . 1 . 1 65 65 LYS HD2 H 1 1.647 0.020 . 2 . . . . . 386 LYS QD . 51487 1
711 . 1 . 1 65 65 LYS HD3 H 1 1.647 0.020 . 2 . . . . . 386 LYS QD . 51487 1
712 . 1 . 1 65 65 LYS HE2 H 1 2.957 0.020 . 2 . . . . . 386 LYS QE . 51487 1
713 . 1 . 1 65 65 LYS HE3 H 1 2.957 0.020 . 2 . . . . . 386 LYS QE . 51487 1
714 . 1 . 1 65 65 LYS C C 13 177.047 0.200 . 1 . . . . . 386 LYS C . 51487 1
715 . 1 . 1 65 65 LYS CA C 13 56.990 0.200 . 1 . . . . . 386 LYS CA . 51487 1
716 . 1 . 1 65 65 LYS CB C 13 33.156 0.118 . 1 . . . . . 386 LYS CB . 51487 1
717 . 1 . 1 65 65 LYS CD C 13 29.099 0.200 . 1 . . . . . 386 LYS CD . 51487 1
718 . 1 . 1 65 65 LYS CE C 13 42.059 0.200 . 1 . . . . . 386 LYS CE . 51487 1
719 . 1 . 1 65 65 LYS N N 15 122.615 0.020 . 1 . . . . . 386 LYS N . 51487 1
720 . 1 . 1 66 66 GLY H H 1 8.349 0.004 . 1 . . . . . 387 GLY H . 51487 1
721 . 1 . 1 66 66 GLY HA2 H 1 3.980 0.020 . 2 . . . . . 387 GLY QA . 51487 1
722 . 1 . 1 66 66 GLY HA3 H 1 3.980 0.020 . 2 . . . . . 387 GLY QA . 51487 1
723 . 1 . 1 66 66 GLY C C 13 174.187 0.200 . 1 . . . . . 387 GLY C . 51487 1
724 . 1 . 1 66 66 GLY CA C 13 45.397 0.200 . 1 . . . . . 387 GLY CA . 51487 1
725 . 1 . 1 66 66 GLY N N 15 110.301 0.008 . 1 . . . . . 387 GLY N . 51487 1
726 . 1 . 1 67 67 GLU H H 1 8.136 0.020 . 1 . . . . . 388 GLU H . 51487 1
727 . 1 . 1 67 67 GLU C C 13 176.421 0.200 . 1 . . . . . 388 GLU C . 51487 1
728 . 1 . 1 67 67 GLU CA C 13 56.668 0.200 . 1 . . . . . 388 GLU CA . 51487 1
729 . 1 . 1 67 67 GLU CB C 13 30.726 0.200 . 1 . . . . . 388 GLU CB . 51487 1
730 . 1 . 1 67 67 GLU N N 15 120.510 0.200 . 1 . . . . . 388 GLU N . 51487 1
731 . 1 . 1 69 69 PHE H H 1 8.270 0.020 . 1 . . . . . 390 PHE H . 51487 1
732 . 1 . 1 69 69 PHE HA H 1 4.643 0.020 . 1 . . . . . 390 PHE HA . 51487 1
733 . 1 . 1 69 69 PHE HB2 H 1 3.143 0.020 . 1 . . . . . 390 PHE HB2 . 51487 1
734 . 1 . 1 69 69 PHE HB3 H 1 3.005 0.020 . 1 . . . . . 390 PHE HB3 . 51487 1
735 . 1 . 1 69 69 PHE C C 13 176.115 0.200 . 1 . . . . . 390 PHE C . 51487 1
736 . 1 . 1 69 69 PHE CA C 13 57.993 0.200 . 1 . . . . . 390 PHE CA . 51487 1
737 . 1 . 1 69 69 PHE CB C 13 39.706 0.021 . 1 . . . . . 390 PHE CB . 51487 1
738 . 1 . 1 69 69 PHE N N 15 121.764 0.200 . 1 . . . . . 390 PHE N . 51487 1
739 . 1 . 1 70 70 GLY H H 1 8.291 0.010 . 1 . . . . . 391 GLY H . 51487 1
740 . 1 . 1 70 70 GLY C C 13 174.599 0.200 . 1 . . . . . 391 GLY C . 51487 1
741 . 1 . 1 70 70 GLY CA C 13 45.501 0.200 . 1 . . . . . 391 GLY CA . 51487 1
742 . 1 . 1 70 70 GLY N N 15 110.800 0.009 . 1 . . . . . 391 GLY N . 51487 1
743 . 1 . 1 73 73 GLY HA2 H 1 3.946 0.020 . 2 . . . . . 394 GLY QA . 51487 1
744 . 1 . 1 73 73 GLY HA3 H 1 3.946 0.020 . 2 . . . . . 394 GLY QA . 51487 1
745 . 1 . 1 73 73 GLY C C 13 173.943 0.200 . 1 . . . . . 394 GLY C . 51487 1
746 . 1 . 1 73 73 GLY CA C 13 45.289 0.200 . 1 . . . . . 394 GLY CA . 51487 1
747 . 1 . 1 74 74 ALA H H 1 8.114 0.020 . 1 . . . . . 395 ALA H . 51487 1
748 . 1 . 1 74 74 ALA HA H 1 4.379 0.020 . 1 . . . . . 395 ALA HA . 51487 1
749 . 1 . 1 74 74 ALA HB1 H 1 1.377 0.020 . 1 . . . . . 395 ALA HB# . 51487 1
750 . 1 . 1 74 74 ALA HB2 H 1 1.377 0.020 . 1 . . . . . 395 ALA HB# . 51487 1
751 . 1 . 1 74 74 ALA HB3 H 1 1.377 0.020 . 1 . . . . . 395 ALA HB# . 51487 1
752 . 1 . 1 74 74 ALA C C 13 177.961 0.200 . 1 . . . . . 395 ALA C . 51487 1
753 . 1 . 1 74 74 ALA CA C 13 52.567 0.200 . 1 . . . . . 395 ALA CA . 51487 1
754 . 1 . 1 74 74 ALA CB C 13 19.569 0.200 . 1 . . . . . 395 ALA CB . 51487 1
755 . 1 . 1 74 74 ALA N N 15 123.582 0.200 . 1 . . . . . 395 ALA N . 51487 1
756 . 1 . 1 75 75 THR H H 1 8.110 0.020 . 1 . . . . . 396 THR H . 51487 1
757 . 1 . 1 75 75 THR HA H 1 4.355 0.020 . 1 . . . . . 396 THR HA . 51487 1
758 . 1 . 1 75 75 THR HB H 1 4.180 0.020 . 1 . . . . . 396 THR HB . 51487 1
759 . 1 . 1 75 75 THR HG21 H 1 1.186 0.020 . 1 . . . . . 396 THR QG2 . 51487 1
760 . 1 . 1 75 75 THR HG22 H 1 1.186 0.020 . 1 . . . . . 396 THR QG2 . 51487 1
761 . 1 . 1 75 75 THR HG23 H 1 1.186 0.020 . 1 . . . . . 396 THR QG2 . 51487 1
762 . 1 . 1 75 75 THR C C 13 174.569 0.200 . 1 . . . . . 396 THR C . 51487 1
763 . 1 . 1 75 75 THR CA C 13 62.032 0.200 . 1 . . . . . 396 THR CA . 51487 1
764 . 1 . 1 75 75 THR CB C 13 70.070 0.200 . 1 . . . . . 396 THR CB . 51487 1
765 . 1 . 1 75 75 THR CG2 C 13 21.745 0.200 . 1 . . . . . 396 THR CG2 . 51487 1
766 . 1 . 1 75 75 THR N N 15 113.891 0.003 . 1 . . . . . 396 THR N . 51487 1
767 . 1 . 1 76 76 VAL H H 1 8.111 0.020 . 1 . . . . . 397 VAL H . 51487 1
768 . 1 . 1 76 76 VAL HA H 1 4.241 0.020 . 1 . . . . . 397 VAL HA . 51487 1
769 . 1 . 1 76 76 VAL HB H 1 2.091 0.020 . 1 . . . . . 397 VAL HB . 51487 1
770 . 1 . 1 76 76 VAL HG11 H 1 0.930 0.020 . 2 . . . . . 397 VAL QG1 . 51487 1
771 . 1 . 1 76 76 VAL HG12 H 1 0.930 0.020 . 2 . . . . . 397 VAL QG1 . 51487 1
772 . 1 . 1 76 76 VAL HG13 H 1 0.930 0.020 . 2 . . . . . 397 VAL QG1 . 51487 1
773 . 1 . 1 76 76 VAL HG21 H 1 0.931 0.020 . 2 . . . . . 397 VAL QG2 . 51487 1
774 . 1 . 1 76 76 VAL HG22 H 1 0.931 0.020 . 2 . . . . . 397 VAL QG2 . 51487 1
775 . 1 . 1 76 76 VAL HG23 H 1 0.931 0.020 . 2 . . . . . 397 VAL QG2 . 51487 1
776 . 1 . 1 76 76 VAL C C 13 176.219 0.200 . 1 . . . . . 397 VAL C . 51487 1
777 . 1 . 1 76 76 VAL CA C 13 62.258 0.200 . 1 . . . . . 397 VAL CA . 51487 1
778 . 1 . 1 76 76 VAL CB C 13 33.011 0.200 . 1 . . . . . 397 VAL CB . 51487 1
779 . 1 . 1 76 76 VAL CG1 C 13 20.561 0.200 . 1 . . . . . 397 VAL CG1 . 51487 1
780 . 1 . 1 76 76 VAL CG2 C 13 21.322 0.200 . 1 . . . . . 397 VAL CG2 . 51487 1
781 . 1 . 1 76 76 VAL N N 15 122.539 0.003 . 1 . . . . . 397 VAL N . 51487 1
782 . 1 . 1 77 77 THR H H 1 8.244 0.002 . 1 . . . . . 398 THR H . 51487 1
783 . 1 . 1 77 77 THR HA H 1 4.463 0.020 . 1 . . . . . 398 THR HA . 51487 1
784 . 1 . 1 77 77 THR HB H 1 4.234 0.020 . 1 . . . . . 398 THR HB . 51487 1
785 . 1 . 1 77 77 THR HG21 H 1 1.202 0.020 . 1 . . . . . 398 THR QG2 . 51487 1
786 . 1 . 1 77 77 THR HG22 H 1 1.202 0.020 . 1 . . . . . 398 THR QG2 . 51487 1
787 . 1 . 1 77 77 THR HG23 H 1 1.202 0.020 . 1 . . . . . 398 THR QG2 . 51487 1
788 . 1 . 1 77 77 THR C C 13 174.616 0.200 . 1 . . . . . 398 THR C . 51487 1
789 . 1 . 1 77 77 THR CA C 13 61.777 0.200 . 1 . . . . . 398 THR CA . 51487 1
790 . 1 . 1 77 77 THR CB C 13 70.155 0.200 . 1 . . . . . 398 THR CB . 51487 1
791 . 1 . 1 77 77 THR CG2 C 13 21.655 0.200 . 1 . . . . . 398 THR CG2 . 51487 1
792 . 1 . 1 77 77 THR N N 15 118.085 0.005 . 1 . . . . . 398 THR N . 51487 1
793 . 1 . 1 78 78 THR H H 1 8.106 0.002 . 1 . . . . . 399 THR H . 51487 1
794 . 1 . 1 78 78 THR HA H 1 4.375 0.020 . 1 . . . . . 399 THR HA . 51487 1
795 . 1 . 1 78 78 THR HB H 1 4.245 0.020 . 1 . . . . . 399 THR HB . 51487 1
796 . 1 . 1 78 78 THR HG21 H 1 1.197 0.020 . 1 . . . . . 399 THR QG2 . 51487 1
797 . 1 . 1 78 78 THR HG22 H 1 1.197 0.020 . 1 . . . . . 399 THR QG2 . 51487 1
798 . 1 . 1 78 78 THR HG23 H 1 1.197 0.020 . 1 . . . . . 399 THR QG2 . 51487 1
799 . 1 . 1 78 78 THR C C 13 173.565 0.200 . 1 . . . . . 399 THR C . 51487 1
800 . 1 . 1 78 78 THR CA C 13 61.839 0.200 . 1 . . . . . 399 THR CA . 51487 1
801 . 1 . 1 78 78 THR CB C 13 70.162 0.200 . 1 . . . . . 399 THR CB . 51487 1
802 . 1 . 1 78 78 THR CG2 C 13 21.624 0.200 . 1 . . . . . 399 THR CG2 . 51487 1
803 . 1 . 1 78 78 THR N N 15 116.986 0.007 . 1 . . . . . 399 THR N . 51487 1
804 . 1 . 1 79 79 LYS H H 1 7.911 0.001 . 1 . . . . . 400 LYS H . 51487 1
805 . 1 . 1 79 79 LYS C C 13 172.079 0.200 . 1 . . . . . 400 LYS C . 51487 1
806 . 1 . 1 79 79 LYS CA C 13 57.939 0.200 . 1 . . . . . 400 LYS CA . 51487 1
807 . 1 . 1 79 79 LYS CB C 13 33.875 0.200 . 1 . . . . . 400 LYS CB . 51487 1
808 . 1 . 1 79 79 LYS N N 15 128.591 0.008 . 1 . . . . . 400 LYS N . 51487 1
stop_
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