data_25720
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 25720
_Entry.Title
;
Regnase-1 C-terminal domain
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2015-07-18
_Entry.Accession_date 2015-07-27
_Entry.Last_release_date 2016-03-14
_Entry.Original_release_date 2016-03-14
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.99
_Entry.Original_NMR_STAR_version 3.1.1.61
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.ORCID
_Entry_author.Entry_ID
1 Mariko Yokogawa . . . . 25720
2 Takashi Tsushima . . . . 25720
3 Nobuo Noda . N. . . 25720
4 Hiroyuki Kumeta . . . . 25720
5 Wakana Adachi . . . . 25720
6 Yoshiaki Enokizono . . . . 25720
7 Kazuo Yamashita . . . . 25720
8 Daron Standley . M. . . 25720
9 Osamu Takeuchi . . . . 25720
10 Shizuo Akira . . . . 25720
11 Fuyuhiko Inagaki . . . . 25720
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
1 'not applicable' 'not applicable' . 25720
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
Regnase . 25720
Regnase-1 . 25720
Zc3h12a . 25720
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 25720
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 268 25720
'15N chemical shifts' 58 25720
'1H chemical shifts' 418 25720
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 . . 2016-03-14 . original BMRB . 25720
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 25718 'Regnase-1 N-terminal domain' 25720
BMRB 25719 'Regnase-1 Zinc finger domain' 25720
PDB 2N5K 'BMRB Entry Tracking System' 25720
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 25720
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 26927947
_Citation.Full_citation .
_Citation.Title
;
Structural basis for the regulation of enzymatic activity of Regnase-1 by domain-domain interactions
;
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Sci. Rep.'
_Citation.Journal_name_full .
_Citation.Journal_volume 6
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first 22324
_Citation.Page_last 22324
_Citation.Year 2016
_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 Mariko Yokogawa . . . . 25720 1
2 Takashi Tsushima . . . . 25720 1
3 Nobuo Noda . N. . . 25720 1
4 Hiroyuki Kumeta . . . . 25720 1
5 Wakana Adachi . . . . 25720 1
6 Yoshiaki Enokizono . . . . 25720 1
7 Kazuo Yamashita . . . . 25720 1
8 Daron Standley . M. . . 25720 1
9 Osamu Takeuchi . . . . 25720 1
10 Shizuo Akira . . . . 25720 1
11 Fuyuhiko Inagaki . . . . 25720 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 25720
_Assembly.ID 1
_Assembly.Name 'Regnase-1 C-terminal domain'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 entity 1 $entity A . yes native no no . . . 25720 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity
_Entity.Sf_category entity
_Entity.Sf_framecode entity
_Entity.Entry_ID 25720
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name entity
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
GPHMGDLAKERAGVYTKLCG
VFPPHLVEAVMRRFPQLLDP
QQLAAEILSYKSQHLSE
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 57
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 6383.458
_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
1 540 GLY . 25720 1
2 541 PRO . 25720 1
3 542 HIS . 25720 1
4 543 MET . 25720 1
5 544 GLY . 25720 1
6 545 ASP . 25720 1
7 546 LEU . 25720 1
8 547 ALA . 25720 1
9 548 LYS . 25720 1
10 549 GLU . 25720 1
11 550 ARG . 25720 1
12 551 ALA . 25720 1
13 552 GLY . 25720 1
14 553 VAL . 25720 1
15 554 TYR . 25720 1
16 555 THR . 25720 1
17 556 LYS . 25720 1
18 557 LEU . 25720 1
19 558 CYS . 25720 1
20 559 GLY . 25720 1
21 560 VAL . 25720 1
22 561 PHE . 25720 1
23 562 PRO . 25720 1
24 563 PRO . 25720 1
25 564 HIS . 25720 1
26 565 LEU . 25720 1
27 566 VAL . 25720 1
28 567 GLU . 25720 1
29 568 ALA . 25720 1
30 569 VAL . 25720 1
31 570 MET . 25720 1
32 571 ARG . 25720 1
33 572 ARG . 25720 1
34 573 PHE . 25720 1
35 574 PRO . 25720 1
36 575 GLN . 25720 1
37 576 LEU . 25720 1
38 577 LEU . 25720 1
39 578 ASP . 25720 1
40 579 PRO . 25720 1
41 580 GLN . 25720 1
42 581 GLN . 25720 1
43 582 LEU . 25720 1
44 583 ALA . 25720 1
45 584 ALA . 25720 1
46 585 GLU . 25720 1
47 586 ILE . 25720 1
48 587 LEU . 25720 1
49 588 SER . 25720 1
50 589 TYR . 25720 1
51 590 LYS . 25720 1
52 591 SER . 25720 1
53 592 GLN . 25720 1
54 593 HIS . 25720 1
55 594 LEU . 25720 1
56 595 SER . 25720 1
57 596 GLU . 25720 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 25720 1
. PRO 2 2 25720 1
. HIS 3 3 25720 1
. MET 4 4 25720 1
. GLY 5 5 25720 1
. ASP 6 6 25720 1
. LEU 7 7 25720 1
. ALA 8 8 25720 1
. LYS 9 9 25720 1
. GLU 10 10 25720 1
. ARG 11 11 25720 1
. ALA 12 12 25720 1
. GLY 13 13 25720 1
. VAL 14 14 25720 1
. TYR 15 15 25720 1
. THR 16 16 25720 1
. LYS 17 17 25720 1
. LEU 18 18 25720 1
. CYS 19 19 25720 1
. GLY 20 20 25720 1
. VAL 21 21 25720 1
. PHE 22 22 25720 1
. PRO 23 23 25720 1
. PRO 24 24 25720 1
. HIS 25 25 25720 1
. LEU 26 26 25720 1
. VAL 27 27 25720 1
. GLU 28 28 25720 1
. ALA 29 29 25720 1
. VAL 30 30 25720 1
. MET 31 31 25720 1
. ARG 32 32 25720 1
. ARG 33 33 25720 1
. PHE 34 34 25720 1
. PRO 35 35 25720 1
. GLN 36 36 25720 1
. LEU 37 37 25720 1
. LEU 38 38 25720 1
. ASP 39 39 25720 1
. PRO 40 40 25720 1
. GLN 41 41 25720 1
. GLN 42 42 25720 1
. LEU 43 43 25720 1
. ALA 44 44 25720 1
. ALA 45 45 25720 1
. GLU 46 46 25720 1
. ILE 47 47 25720 1
. LEU 48 48 25720 1
. SER 49 49 25720 1
. TYR 50 50 25720 1
. LYS 51 51 25720 1
. SER 52 52 25720 1
. GLN 53 53 25720 1
. HIS 54 54 25720 1
. LEU 55 55 25720 1
. SER 56 56 25720 1
. GLU 57 57 25720 1
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID 25720
_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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . 25720 1
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID 25720
_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 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . pGEX6p . . . 25720 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 25720
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 Reg1_CTD '[U-99% 13C; U-99% 15N]' . . 1 $entity . protein 2.3 . . mM . . . . 25720 1
2 DSS 'natural abundance' . . . . . . 10 . . '% v/v' . . . . 25720 1
3 D2O [U-2H] . . . . . solvent 20 . . uL . . . . 25720 1
4 HEPES 'natural abundance' . . . . . buffer 20 . . mM . . . . 25720 1
5 'sodium chloride' 'natural abundance' . . . . . salt 150 . . mM . . . . 25720 1
6 H2O 'natural abundance' . . . . . solvent 90 . . '% v/v' . . . . 25720 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 25720
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
'ionic strength' 170 . mM 25720 1
pH 6.8 . pH 25720 1
pressure 1 . atm 25720 1
temperature 298 . K 25720 1
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Software.Sf_category software
_Software.Sf_framecode VNMR
_Software.Entry_ID 25720
_Software.ID 1
_Software.Name VNMR
_Software.Version 6,1C
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Varian . . 25720 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 25720 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 25720
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 2008
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25720 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 25720 2
stop_
save_
save_Olivia
_Software.Sf_category software
_Software.Sf_framecode Olivia
_Software.Entry_ID 25720
_Software.ID 3
_Software.Name Olivia
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Masashi Yokochi' . . 25720 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' 25720 3
'data analysis' 25720 3
'peak picking' 25720 3
stop_
save_
save_TALOS
_Software.Sf_category software
_Software.Sf_framecode TALOS
_Software.Entry_ID 25720
_Software.ID 4
_Software.Name TALOS
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Cornilescu, Delaglio and Bax' . . 25720 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 25720 4
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 25720
_Software.ID 5
_Software.Name CYANA
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 25720 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 25720 5
'structure solution' 25720 5
stop_
save_
save_rnmrtk
_Software.Sf_category software
_Software.Sf_framecode rnmrtk
_Software.Entry_ID 25720
_Software.ID 6
_Software.Name rnmrtk
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'JC Hoch and AS Sterm' . . 25720 6
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 25720 6
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_pegasus600
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode pegasus600
_NMR_spectrometer.Entry_ID 25720
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Agilent
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 25720
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 pegasus600 Agilent INOVA . 600 . . . 25720 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 25720
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
5 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
8 '3D (HCA)CO(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
10 '3D HN(CA)HA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
11 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
12 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
13 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
14 '2D HbCbCgCdHd' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
15 '2D HbCbCgCdCeHe' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
16 '3D HCCH-TOCSY Aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
17 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
18 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
19 '3D HCCH-TOCSY Aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
20 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $pegasus600 . . . . . . . . . . . . . . . . 25720 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference_1
_Chem_shift_reference.Entry_ID 25720
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25720 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . . . . . . . 25720 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25720 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25720
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.001
_Assigned_chem_shift_list.Chem_shift_13C_err 0.01
_Assigned_chem_shift_list.Chem_shift_15N_err 0.03
_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' 1 $sample_1 isotropic 25720 1
2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 25720 1
3 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 25720 1
4 '3D 1H-15N NOESY' 1 $sample_1 isotropic 25720 1
5 '3D 1H-13C NOESY aliphatic' 1 $sample_1 isotropic 25720 1
8 '3D (HCA)CO(CA)NH' 1 $sample_1 isotropic 25720 1
12 '3D HNCO' 1 $sample_1 isotropic 25720 1
20 '3D 1H-13C NOESY aromatic' 1 $sample_1 isotropic 25720 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
3 $Olivia . . 25720 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY HA2 H 1 4.044 0.001 . . . . . A 540 GLY HA2 . 25720 1
2 . 1 1 1 1 GLY HA3 H 1 4.044 0.001 . . . . . A 540 GLY HA3 . 25720 1
3 . 1 1 1 1 GLY CA C 13 43.435 0.01 . . . . . A 540 GLY CA . 25720 1
4 . 1 1 2 2 PRO HA H 1 4.522 0.001 . . . . . A 541 PRO HA . 25720 1
5 . 1 1 2 2 PRO HB2 H 1 2.330 0.001 . . . . . A 541 PRO HB2 . 25720 1
6 . 1 1 2 2 PRO HB3 H 1 1.911 0.001 . . . . . A 541 PRO HB3 . 25720 1
7 . 1 1 2 2 PRO HG2 H 1 2.059 0.001 . . . . . A 541 PRO HG2 . 25720 1
8 . 1 1 2 2 PRO HG3 H 1 1.999 0.001 . . . . . A 541 PRO HG3 . 25720 1
9 . 1 1 2 2 PRO HD2 H 1 3.618 0.001 . . . . . A 541 PRO HD2 . 25720 1
10 . 1 1 2 2 PRO HD3 H 1 3.618 0.001 . . . . . A 541 PRO HD3 . 25720 1
11 . 1 1 2 2 PRO C C 13 176.657 0.01 . . . . . A 541 PRO C . 25720 1
12 . 1 1 2 2 PRO CA C 13 63.068 0.01 . . . . . A 541 PRO CA . 25720 1
13 . 1 1 2 2 PRO CB C 13 32.427 0.01 . . . . . A 541 PRO CB . 25720 1
14 . 1 1 2 2 PRO CG C 13 27.056 0.01 . . . . . A 541 PRO CG . 25720 1
15 . 1 1 2 2 PRO CD C 13 49.699 0.01 . . . . . A 541 PRO CD . 25720 1
16 . 1 1 3 3 HIS H H 1 8.743 0.001 . . . . . A 542 HIS H . 25720 1
17 . 1 1 3 3 HIS HA H 1 4.728 0.001 . . . . . A 542 HIS HA . 25720 1
18 . 1 1 3 3 HIS HB2 H 1 3.283 0.001 . . . . . A 542 HIS HB2 . 25720 1
19 . 1 1 3 3 HIS HB3 H 1 3.234 0.001 . . . . . A 542 HIS HB3 . 25720 1
20 . 1 1 3 3 HIS HD2 H 1 7.254 0.001 . . . . . A 542 HIS HD2 . 25720 1
21 . 1 1 3 3 HIS HE1 H 1 8.288 0.001 . . . . . A 542 HIS HE1 . 25720 1
22 . 1 1 3 3 HIS C C 13 175.238 0.01 . . . . . A 542 HIS C . 25720 1
23 . 1 1 3 3 HIS CA C 13 56.021 0.01 . . . . . A 542 HIS CA . 25720 1
24 . 1 1 3 3 HIS CB C 13 29.922 0.01 . . . . . A 542 HIS CB . 25720 1
25 . 1 1 3 3 HIS CD2 C 13 120.089 0.01 . . . . . A 542 HIS CD2 . 25720 1
26 . 1 1 3 3 HIS CE1 C 13 137.580 0.01 . . . . . A 542 HIS CE1 . 25720 1
27 . 1 1 3 3 HIS N N 15 120.098 0.03 . . . . . A 542 HIS N . 25720 1
28 . 1 1 4 4 MET H H 1 8.546 0.001 . . . . . A 543 MET H . 25720 1
29 . 1 1 4 4 MET HA H 1 4.507 0.001 . . . . . A 543 MET HA . 25720 1
30 . 1 1 4 4 MET HB2 H 1 2.130 0.001 . . . . . A 543 MET HB2 . 25720 1
31 . 1 1 4 4 MET HB3 H 1 2.056 0.001 . . . . . A 543 MET HB3 . 25720 1
32 . 1 1 4 4 MET HG2 H 1 2.635 0.001 . . . . . A 543 MET HG2 . 25720 1
33 . 1 1 4 4 MET HG3 H 1 2.559 0.001 . . . . . A 543 MET HG3 . 25720 1
34 . 1 1 4 4 MET HE1 H 1 2.133 0.001 . . . . . A 543 MET HE1 . 25720 1
35 . 1 1 4 4 MET HE2 H 1 2.133 0.001 . . . . . A 543 MET HE2 . 25720 1
36 . 1 1 4 4 MET HE3 H 1 2.133 0.001 . . . . . A 543 MET HE3 . 25720 1
37 . 1 1 4 4 MET C C 13 176.770 0.01 . . . . . A 543 MET C . 25720 1
38 . 1 1 4 4 MET CA C 13 55.942 0.01 . . . . . A 543 MET CA . 25720 1
39 . 1 1 4 4 MET CB C 13 32.832 0.01 . . . . . A 543 MET CB . 25720 1
40 . 1 1 4 4 MET CG C 13 32.030 0.01 . . . . . A 543 MET CG . 25720 1
41 . 1 1 4 4 MET CE C 13 17.030 0.01 . . . . . A 543 MET CE . 25720 1
42 . 1 1 4 4 MET N N 15 122.677 0.03 . . . . . A 543 MET N . 25720 1
43 . 1 1 5 5 GLY H H 1 8.547 0.001 . . . . . A 544 GLY H . 25720 1
44 . 1 1 5 5 GLY HA2 H 1 4.026 0.001 . . . . . A 544 GLY HA2 . 25720 1
45 . 1 1 5 5 GLY HA3 H 1 4.026 0.001 . . . . . A 544 GLY HA3 . 25720 1
46 . 1 1 5 5 GLY C C 13 174.076 0.01 . . . . . A 544 GLY C . 25720 1
47 . 1 1 5 5 GLY CA C 13 45.535 0.01 . . . . . A 544 GLY CA . 25720 1
48 . 1 1 5 5 GLY N N 15 110.158 0.03 . . . . . A 544 GLY N . 25720 1
49 . 1 1 6 6 ASP H H 1 8.329 0.001 . . . . . A 545 ASP H . 25720 1
50 . 1 1 6 6 ASP HA H 1 4.652 0.001 . . . . . A 545 ASP HA . 25720 1
51 . 1 1 6 6 ASP HB2 H 1 2.857 0.001 . . . . . A 545 ASP HB2 . 25720 1
52 . 1 1 6 6 ASP HB3 H 1 2.723 0.001 . . . . . A 545 ASP HB3 . 25720 1
53 . 1 1 6 6 ASP C C 13 177.117 0.01 . . . . . A 545 ASP C . 25720 1
54 . 1 1 6 6 ASP CA C 13 54.923 0.01 . . . . . A 545 ASP CA . 25720 1
55 . 1 1 6 6 ASP CB C 13 41.081 0.01 . . . . . A 545 ASP CB . 25720 1
56 . 1 1 6 6 ASP N N 15 120.935 0.03 . . . . . A 545 ASP N . 25720 1
57 . 1 1 7 7 LEU H H 1 8.367 0.001 . . . . . A 546 LEU H . 25720 1
58 . 1 1 7 7 LEU HA H 1 4.289 0.001 . . . . . A 546 LEU HA . 25720 1
59 . 1 1 7 7 LEU HB2 H 1 1.746 0.001 . . . . . A 546 LEU HB2 . 25720 1
60 . 1 1 7 7 LEU HB3 H 1 1.682 0.001 . . . . . A 546 LEU HB3 . 25720 1
61 . 1 1 7 7 LEU HG H 1 1.681 0.001 . . . . . A 546 LEU HG . 25720 1
62 . 1 1 7 7 LEU HD11 H 1 0.967 0.001 . . . . . A 546 LEU HD11 . 25720 1
63 . 1 1 7 7 LEU HD12 H 1 0.967 0.001 . . . . . A 546 LEU HD12 . 25720 1
64 . 1 1 7 7 LEU HD13 H 1 0.967 0.001 . . . . . A 546 LEU HD13 . 25720 1
65 . 1 1 7 7 LEU HD21 H 1 0.916 0.001 . . . . . A 546 LEU HD21 . 25720 1
66 . 1 1 7 7 LEU HD22 H 1 0.916 0.001 . . . . . A 546 LEU HD22 . 25720 1
67 . 1 1 7 7 LEU HD23 H 1 0.916 0.001 . . . . . A 546 LEU HD23 . 25720 1
68 . 1 1 7 7 LEU C C 13 178.116 0.01 . . . . . A 546 LEU C . 25720 1
69 . 1 1 7 7 LEU CA C 13 57.050 0.01 . . . . . A 546 LEU CA . 25720 1
70 . 1 1 7 7 LEU CB C 13 41.920 0.01 . . . . . A 546 LEU CB . 25720 1
71 . 1 1 7 7 LEU CG C 13 27.145 0.01 . . . . . A 546 LEU CG . 25720 1
72 . 1 1 7 7 LEU CD1 C 13 24.895 0.01 . . . . . A 546 LEU CD1 . 25720 1
73 . 1 1 7 7 LEU CD2 C 13 24.136 0.01 . . . . . A 546 LEU CD2 . 25720 1
74 . 1 1 7 7 LEU N N 15 123.845 0.03 . . . . . A 546 LEU N . 25720 1
75 . 1 1 8 8 ALA H H 1 8.206 0.001 . . . . . A 547 ALA H . 25720 1
76 . 1 1 8 8 ALA HA H 1 4.159 0.001 . . . . . A 547 ALA HA . 25720 1
77 . 1 1 8 8 ALA HB1 H 1 1.524 0.001 . . . . . A 547 ALA HB1 . 25720 1
78 . 1 1 8 8 ALA HB2 H 1 1.524 0.001 . . . . . A 547 ALA HB2 . 25720 1
79 . 1 1 8 8 ALA HB3 H 1 1.524 0.001 . . . . . A 547 ALA HB3 . 25720 1
80 . 1 1 8 8 ALA C C 13 180.596 0.01 . . . . . A 547 ALA C . 25720 1
81 . 1 1 8 8 ALA CA C 13 54.963 0.01 . . . . . A 547 ALA CA . 25720 1
82 . 1 1 8 8 ALA CB C 13 18.410 0.01 . . . . . A 547 ALA CB . 25720 1
83 . 1 1 8 8 ALA N N 15 121.881 0.03 . . . . . A 547 ALA N . 25720 1
84 . 1 1 9 9 LYS H H 1 8.146 0.001 . . . . . A 548 LYS H . 25720 1
85 . 1 1 9 9 LYS HA H 1 4.166 0.001 . . . . . A 548 LYS HA . 25720 1
86 . 1 1 9 9 LYS HB2 H 1 1.969 0.001 . . . . . A 548 LYS HB2 . 25720 1
87 . 1 1 9 9 LYS HB3 H 1 1.969 0.001 . . . . . A 548 LYS HB3 . 25720 1
88 . 1 1 9 9 LYS HG2 H 1 1.600 0.001 . . . . . A 548 LYS HG2 . 25720 1
89 . 1 1 9 9 LYS HG3 H 1 1.482 0.001 . . . . . A 548 LYS HG3 . 25720 1
90 . 1 1 9 9 LYS HD2 H 1 1.773 0.001 . . . . . A 548 LYS HD2 . 25720 1
91 . 1 1 9 9 LYS HD3 H 1 1.773 0.001 . . . . . A 548 LYS HD3 . 25720 1
92 . 1 1 9 9 LYS HE2 H 1 3.067 0.001 . . . . . A 548 LYS HE2 . 25720 1
93 . 1 1 9 9 LYS HE3 H 1 3.067 0.001 . . . . . A 548 LYS HE3 . 25720 1
94 . 1 1 9 9 LYS C C 13 179.449 0.01 . . . . . A 548 LYS C . 25720 1
95 . 1 1 9 9 LYS CA C 13 59.141 0.01 . . . . . A 548 LYS CA . 25720 1
96 . 1 1 9 9 LYS CB C 13 32.491 0.01 . . . . . A 548 LYS CB . 25720 1
97 . 1 1 9 9 LYS CG C 13 25.225 0.01 . . . . . A 548 LYS CG . 25720 1
98 . 1 1 9 9 LYS CD C 13 29.366 0.01 . . . . . A 548 LYS CD . 25720 1
99 . 1 1 9 9 LYS CE C 13 42.183 0.01 . . . . . A 548 LYS CE . 25720 1
100 . 1 1 9 9 LYS N N 15 119.751 0.03 . . . . . A 548 LYS N . 25720 1
101 . 1 1 10 10 GLU H H 1 8.539 0.001 . . . . . A 549 GLU H . 25720 1
102 . 1 1 10 10 GLU HA H 1 4.222 0.001 . . . . . A 549 GLU HA . 25720 1
103 . 1 1 10 10 GLU HB2 H 1 2.189 0.001 . . . . . A 549 GLU HB2 . 25720 1
104 . 1 1 10 10 GLU HB3 H 1 2.189 0.001 . . . . . A 549 GLU HB3 . 25720 1
105 . 1 1 10 10 GLU HG2 H 1 2.403 0.001 . . . . . A 549 GLU HG2 . 25720 1
106 . 1 1 10 10 GLU HG3 H 1 2.403 0.001 . . . . . A 549 GLU HG3 . 25720 1
107 . 1 1 10 10 GLU C C 13 179.495 0.01 . . . . . A 549 GLU C . 25720 1
108 . 1 1 10 10 GLU CA C 13 59.313 0.01 . . . . . A 549 GLU CA . 25720 1
109 . 1 1 10 10 GLU CB C 13 29.474 0.01 . . . . . A 549 GLU CB . 25720 1
110 . 1 1 10 10 GLU CG C 13 36.300 0.01 . . . . . A 549 GLU CG . 25720 1
111 . 1 1 10 10 GLU N N 15 121.677 0.03 . . . . . A 549 GLU N . 25720 1
112 . 1 1 11 11 ARG H H 1 8.671 0.001 . . . . . A 550 ARG H . 25720 1
113 . 1 1 11 11 ARG HA H 1 3.904 0.001 . . . . . A 550 ARG HA . 25720 1
114 . 1 1 11 11 ARG HB2 H 1 1.961 0.001 . . . . . A 550 ARG HB2 . 25720 1
115 . 1 1 11 11 ARG HB3 H 1 1.889 0.001 . . . . . A 550 ARG HB3 . 25720 1
116 . 1 1 11 11 ARG HG2 H 1 1.766 0.001 . . . . . A 550 ARG HG2 . 25720 1
117 . 1 1 11 11 ARG HG3 H 1 1.629 0.001 . . . . . A 550 ARG HG3 . 25720 1
118 . 1 1 11 11 ARG HD2 H 1 3.203 0.001 . . . . . A 550 ARG HD2 . 25720 1
119 . 1 1 11 11 ARG HD3 H 1 3.203 0.001 . . . . . A 550 ARG HD3 . 25720 1
120 . 1 1 11 11 ARG HE H 1 7.425 0.001 . . . . . A 550 ARG HE . 25720 1
121 . 1 1 11 11 ARG C C 13 177.602 0.01 . . . . . A 550 ARG C . 25720 1
122 . 1 1 11 11 ARG CA C 13 59.656 0.01 . . . . . A 550 ARG CA . 25720 1
123 . 1 1 11 11 ARG CB C 13 30.179 0.01 . . . . . A 550 ARG CB . 25720 1
124 . 1 1 11 11 ARG CG C 13 28.302 0.01 . . . . . A 550 ARG CG . 25720 1
125 . 1 1 11 11 ARG CD C 13 43.392 0.01 . . . . . A 550 ARG CD . 25720 1
126 . 1 1 11 11 ARG CZ C 13 159.678 0.01 . . . . . A 550 ARG CZ . 25720 1
127 . 1 1 11 11 ARG N N 15 119.928 0.03 . . . . . A 550 ARG N . 25720 1
128 . 1 1 11 11 ARG NE N 15 84.565 0.03 . . . . . A 550 ARG NE . 25720 1
129 . 1 1 12 12 ALA H H 1 7.995 0.001 . . . . . A 551 ALA H . 25720 1
130 . 1 1 12 12 ALA HA H 1 4.271 0.001 . . . . . A 551 ALA HA . 25720 1
131 . 1 1 12 12 ALA HB1 H 1 1.576 0.001 . . . . . A 551 ALA HB1 . 25720 1
132 . 1 1 12 12 ALA HB2 H 1 1.576 0.001 . . . . . A 551 ALA HB2 . 25720 1
133 . 1 1 12 12 ALA HB3 H 1 1.576 0.001 . . . . . A 551 ALA HB3 . 25720 1
134 . 1 1 12 12 ALA C C 13 180.678 0.01 . . . . . A 551 ALA C . 25720 1
135 . 1 1 12 12 ALA CA C 13 55.224 0.01 . . . . . A 551 ALA CA . 25720 1
136 . 1 1 12 12 ALA CB C 13 18.058 0.01 . . . . . A 551 ALA CB . 25720 1
137 . 1 1 12 12 ALA N N 15 121.418 0.03 . . . . . A 551 ALA N . 25720 1
138 . 1 1 13 13 GLY H H 1 8.130 0.001 . . . . . A 552 GLY H . 25720 1
139 . 1 1 13 13 GLY HA2 H 1 4.093 0.001 . . . . . A 552 GLY HA2 . 25720 1
140 . 1 1 13 13 GLY HA3 H 1 4.034 0.001 . . . . . A 552 GLY HA3 . 25720 1
141 . 1 1 13 13 GLY C C 13 176.364 0.01 . . . . . A 552 GLY C . 25720 1
142 . 1 1 13 13 GLY CA C 13 47.264 0.01 . . . . . A 552 GLY CA . 25720 1
143 . 1 1 13 13 GLY N N 15 106.609 0.03 . . . . . A 552 GLY N . 25720 1
144 . 1 1 14 14 VAL H H 1 8.013 0.001 . . . . . A 553 VAL H . 25720 1
145 . 1 1 14 14 VAL HA H 1 3.724 0.001 . . . . . A 553 VAL HA . 25720 1
146 . 1 1 14 14 VAL HB H 1 2.246 0.001 . . . . . A 553 VAL HB . 25720 1
147 . 1 1 14 14 VAL HG11 H 1 1.240 0.001 . . . . . A 553 VAL HG11 . 25720 1
148 . 1 1 14 14 VAL HG12 H 1 1.240 0.001 . . . . . A 553 VAL HG12 . 25720 1
149 . 1 1 14 14 VAL HG13 H 1 1.240 0.001 . . . . . A 553 VAL HG13 . 25720 1
150 . 1 1 14 14 VAL HG21 H 1 0.988 0.001 . . . . . A 553 VAL HG21 . 25720 1
151 . 1 1 14 14 VAL HG22 H 1 0.988 0.001 . . . . . A 553 VAL HG22 . 25720 1
152 . 1 1 14 14 VAL HG23 H 1 0.988 0.001 . . . . . A 553 VAL HG23 . 25720 1
153 . 1 1 14 14 VAL C C 13 177.093 0.01 . . . . . A 553 VAL C . 25720 1
154 . 1 1 14 14 VAL CA C 13 66.952 0.01 . . . . . A 553 VAL CA . 25720 1
155 . 1 1 14 14 VAL CB C 13 32.078 0.01 . . . . . A 553 VAL CB . 25720 1
156 . 1 1 14 14 VAL CG1 C 13 23.899 0.01 . . . . . A 553 VAL CG1 . 25720 1
157 . 1 1 14 14 VAL CG2 C 13 21.893 0.01 . . . . . A 553 VAL CG2 . 25720 1
158 . 1 1 14 14 VAL N N 15 123.365 0.03 . . . . . A 553 VAL N . 25720 1
159 . 1 1 15 15 TYR H H 1 8.466 0.001 . . . . . A 554 TYR H . 25720 1
160 . 1 1 15 15 TYR HA H 1 4.151 0.001 . . . . . A 554 TYR HA . 25720 1
161 . 1 1 15 15 TYR HB2 H 1 3.330 0.001 . . . . . A 554 TYR HB2 . 25720 1
162 . 1 1 15 15 TYR HB3 H 1 3.052 0.001 . . . . . A 554 TYR HB3 . 25720 1
163 . 1 1 15 15 TYR HD1 H 1 7.204 0.001 . . . . . A 554 TYR HD1 . 25720 1
164 . 1 1 15 15 TYR HD2 H 1 7.204 0.001 . . . . . A 554 TYR HD2 . 25720 1
165 . 1 1 15 15 TYR HE1 H 1 6.727 0.001 . . . . . A 554 TYR HE1 . 25720 1
166 . 1 1 15 15 TYR HE2 H 1 6.727 0.001 . . . . . A 554 TYR HE2 . 25720 1
167 . 1 1 15 15 TYR C C 13 177.675 0.01 . . . . . A 554 TYR C . 25720 1
168 . 1 1 15 15 TYR CA C 13 62.103 0.01 . . . . . A 554 TYR CA . 25720 1
169 . 1 1 15 15 TYR CB C 13 38.332 0.01 . . . . . A 554 TYR CB . 25720 1
170 . 1 1 15 15 TYR CD1 C 13 133.562 0.01 . . . . . A 554 TYR CD1 . 25720 1
171 . 1 1 15 15 TYR CD2 C 13 133.562 0.01 . . . . . A 554 TYR CD2 . 25720 1
172 . 1 1 15 15 TYR CE1 C 13 118.638 0.01 . . . . . A 554 TYR CE1 . 25720 1
173 . 1 1 15 15 TYR CE2 C 13 118.638 0.01 . . . . . A 554 TYR CE2 . 25720 1
174 . 1 1 15 15 TYR N N 15 121.204 0.03 . . . . . A 554 TYR N . 25720 1
175 . 1 1 16 16 THR H H 1 8.349 0.001 . . . . . A 555 THR H . 25720 1
176 . 1 1 16 16 THR HA H 1 3.710 0.001 . . . . . A 555 THR HA . 25720 1
177 . 1 1 16 16 THR HB H 1 4.371 0.001 . . . . . A 555 THR HB . 25720 1
178 . 1 1 16 16 THR HG21 H 1 1.344 0.001 . . . . . A 555 THR HG21 . 25720 1
179 . 1 1 16 16 THR HG22 H 1 1.344 0.001 . . . . . A 555 THR HG22 . 25720 1
180 . 1 1 16 16 THR HG23 H 1 1.344 0.001 . . . . . A 555 THR HG23 . 25720 1
181 . 1 1 16 16 THR C C 13 177.299 0.01 . . . . . A 555 THR C . 25720 1
182 . 1 1 16 16 THR CA C 13 67.315 0.01 . . . . . A 555 THR CA . 25720 1
183 . 1 1 16 16 THR CB C 13 68.936 0.01 . . . . . A 555 THR CB . 25720 1
184 . 1 1 16 16 THR CG2 C 13 21.913 0.01 . . . . . A 555 THR CG2 . 25720 1
185 . 1 1 16 16 THR N N 15 116.248 0.03 . . . . . A 555 THR N . 25720 1
186 . 1 1 17 17 LYS H H 1 7.929 0.001 . . . . . A 556 LYS H . 25720 1
187 . 1 1 17 17 LYS HA H 1 3.946 0.001 . . . . . A 556 LYS HA . 25720 1
188 . 1 1 17 17 LYS HB2 H 1 1.685 0.001 . . . . . A 556 LYS HB2 . 25720 1
189 . 1 1 17 17 LYS HB3 H 1 1.685 0.001 . . . . . A 556 LYS HB3 . 25720 1
190 . 1 1 17 17 LYS HG2 H 1 1.710 0.001 . . . . . A 556 LYS HG2 . 25720 1
191 . 1 1 17 17 LYS HG3 H 1 1.521 0.001 . . . . . A 556 LYS HG3 . 25720 1
192 . 1 1 17 17 LYS HD2 H 1 1.890 0.001 . . . . . A 556 LYS HD2 . 25720 1
193 . 1 1 17 17 LYS HD3 H 1 1.621 0.001 . . . . . A 556 LYS HD3 . 25720 1
194 . 1 1 17 17 LYS HE2 H 1 3.025 0.001 . . . . . A 556 LYS HE2 . 25720 1
195 . 1 1 17 17 LYS HE3 H 1 3.025 0.001 . . . . . A 556 LYS HE3 . 25720 1
196 . 1 1 17 17 LYS C C 13 180.830 0.01 . . . . . A 556 LYS C . 25720 1
197 . 1 1 17 17 LYS CA C 13 59.729 0.01 . . . . . A 556 LYS CA . 25720 1
198 . 1 1 17 17 LYS CB C 13 32.545 0.01 . . . . . A 556 LYS CB . 25720 1
199 . 1 1 17 17 LYS CG C 13 26.029 0.01 . . . . . A 556 LYS CG . 25720 1
200 . 1 1 17 17 LYS CD C 13 29.250 0.01 . . . . . A 556 LYS CD . 25720 1
201 . 1 1 17 17 LYS CE C 13 42.362 0.01 . . . . . A 556 LYS CE . 25720 1
202 . 1 1 17 17 LYS N N 15 120.916 0.03 . . . . . A 556 LYS N . 25720 1
203 . 1 1 18 18 LEU H H 1 8.593 0.001 . . . . . A 557 LEU H . 25720 1
204 . 1 1 18 18 LEU HA H 1 4.023 0.001 . . . . . A 557 LEU HA . 25720 1
205 . 1 1 18 18 LEU HB2 H 1 2.139 0.001 . . . . . A 557 LEU HB2 . 25720 1
206 . 1 1 18 18 LEU HB3 H 1 1.370 0.001 . . . . . A 557 LEU HB3 . 25720 1
207 . 1 1 18 18 LEU HG H 1 1.795 0.001 . . . . . A 557 LEU HG . 25720 1
208 . 1 1 18 18 LEU HD11 H 1 1.033 0.001 . . . . . A 557 LEU HD11 . 25720 1
209 . 1 1 18 18 LEU HD12 H 1 1.033 0.001 . . . . . A 557 LEU HD12 . 25720 1
210 . 1 1 18 18 LEU HD13 H 1 1.033 0.001 . . . . . A 557 LEU HD13 . 25720 1
211 . 1 1 18 18 LEU HD21 H 1 0.962 0.001 . . . . . A 557 LEU HD21 . 25720 1
212 . 1 1 18 18 LEU HD22 H 1 0.962 0.001 . . . . . A 557 LEU HD22 . 25720 1
213 . 1 1 18 18 LEU HD23 H 1 0.962 0.001 . . . . . A 557 LEU HD23 . 25720 1
214 . 1 1 18 18 LEU C C 13 179.910 0.01 . . . . . A 557 LEU C . 25720 1
215 . 1 1 18 18 LEU CA C 13 58.239 0.01 . . . . . A 557 LEU CA . 25720 1
216 . 1 1 18 18 LEU CB C 13 43.218 0.01 . . . . . A 557 LEU CB . 25720 1
217 . 1 1 18 18 LEU CG C 13 27.728 0.01 . . . . . A 557 LEU CG . 25720 1
218 . 1 1 18 18 LEU CD1 C 13 23.146 0.01 . . . . . A 557 LEU CD1 . 25720 1
219 . 1 1 18 18 LEU CD2 C 13 28.617 0.01 . . . . . A 557 LEU CD2 . 25720 1
220 . 1 1 18 18 LEU N N 15 120.367 0.03 . . . . . A 557 LEU N . 25720 1
221 . 1 1 19 19 CYS H H 1 8.233 0.001 . . . . . A 558 CYS H . 25720 1
222 . 1 1 19 19 CYS HA H 1 4.895 0.001 . . . . . A 558 CYS HA . 25720 1
223 . 1 1 19 19 CYS HB2 H 1 2.879 0.001 . . . . . A 558 CYS HB2 . 25720 1
224 . 1 1 19 19 CYS HB3 H 1 2.750 0.001 . . . . . A 558 CYS HB3 . 25720 1
225 . 1 1 19 19 CYS HG H 1 2.016 0.001 . . . . . A 558 CYS HG . 25720 1
226 . 1 1 19 19 CYS C C 13 175.287 0.01 . . . . . A 558 CYS C . 25720 1
227 . 1 1 19 19 CYS CA C 13 62.182 0.01 . . . . . A 558 CYS CA . 25720 1
228 . 1 1 19 19 CYS CB C 13 26.997 0.01 . . . . . A 558 CYS CB . 25720 1
229 . 1 1 19 19 CYS N N 15 118.220 0.03 . . . . . A 558 CYS N . 25720 1
230 . 1 1 20 20 GLY H H 1 7.522 0.001 . . . . . A 559 GLY H . 25720 1
231 . 1 1 20 20 GLY HA2 H 1 4.103 0.001 . . . . . A 559 GLY HA2 . 25720 1
232 . 1 1 20 20 GLY HA3 H 1 3.867 0.001 . . . . . A 559 GLY HA3 . 25720 1
233 . 1 1 20 20 GLY C C 13 173.106 0.01 . . . . . A 559 GLY C . 25720 1
234 . 1 1 20 20 GLY CA C 13 46.037 0.01 . . . . . A 559 GLY CA . 25720 1
235 . 1 1 20 20 GLY N N 15 105.334 0.03 . . . . . A 559 GLY N . 25720 1
236 . 1 1 21 21 VAL H H 1 7.218 0.001 . . . . . A 560 VAL H . 25720 1
237 . 1 1 21 21 VAL HA H 1 3.763 0.001 . . . . . A 560 VAL HA . 25720 1
238 . 1 1 21 21 VAL HB H 1 1.532 0.001 . . . . . A 560 VAL HB . 25720 1
239 . 1 1 21 21 VAL HG11 H 1 0.683 0.001 . . . . . A 560 VAL HG11 . 25720 1
240 . 1 1 21 21 VAL HG12 H 1 0.683 0.001 . . . . . A 560 VAL HG12 . 25720 1
241 . 1 1 21 21 VAL HG13 H 1 0.683 0.001 . . . . . A 560 VAL HG13 . 25720 1
242 . 1 1 21 21 VAL HG21 H 1 -0.100 0.001 . . . . . A 560 VAL HG21 . 25720 1
243 . 1 1 21 21 VAL HG22 H 1 -0.100 0.001 . . . . . A 560 VAL HG22 . 25720 1
244 . 1 1 21 21 VAL HG23 H 1 -0.100 0.001 . . . . . A 560 VAL HG23 . 25720 1
245 . 1 1 21 21 VAL C C 13 173.393 0.01 . . . . . A 560 VAL C . 25720 1
246 . 1 1 21 21 VAL CA C 13 63.239 0.01 . . . . . A 560 VAL CA . 25720 1
247 . 1 1 21 21 VAL CB C 13 35.199 0.01 . . . . . A 560 VAL CB . 25720 1
248 . 1 1 21 21 VAL CG1 C 13 23.224 0.01 . . . . . A 560 VAL CG1 . 25720 1
249 . 1 1 21 21 VAL CG2 C 13 21.324 0.01 . . . . . A 560 VAL CG2 . 25720 1
250 . 1 1 21 21 VAL N N 15 117.434 0.03 . . . . . A 560 VAL N . 25720 1
251 . 1 1 22 22 PHE H H 1 8.333 0.001 . . . . . A 561 PHE H . 25720 1
252 . 1 1 22 22 PHE HA H 1 4.939 0.001 . . . . . A 561 PHE HA . 25720 1
253 . 1 1 22 22 PHE HB2 H 1 2.860 0.001 . . . . . A 561 PHE HB2 . 25720 1
254 . 1 1 22 22 PHE HB3 H 1 2.418 0.001 . . . . . A 561 PHE HB3 . 25720 1
255 . 1 1 22 22 PHE HD1 H 1 7.397 0.001 . . . . . A 561 PHE HD1 . 25720 1
256 . 1 1 22 22 PHE HD2 H 1 7.397 0.001 . . . . . A 561 PHE HD2 . 25720 1
257 . 1 1 22 22 PHE HE1 H 1 7.157 0.001 . . . . . A 561 PHE HE1 . 25720 1
258 . 1 1 22 22 PHE HE2 H 1 7.157 0.001 . . . . . A 561 PHE HE2 . 25720 1
259 . 1 1 22 22 PHE HZ H 1 7.154 0.001 . . . . . A 561 PHE HZ . 25720 1
260 . 1 1 22 22 PHE C C 13 172.117 0.01 . . . . . A 561 PHE C . 25720 1
261 . 1 1 22 22 PHE CA C 13 54.990 0.01 . . . . . A 561 PHE CA . 25720 1
262 . 1 1 22 22 PHE CB C 13 41.239 0.01 . . . . . A 561 PHE CB . 25720 1
263 . 1 1 22 22 PHE CD1 C 13 133.469 0.01 . . . . . A 561 PHE CD1 . 25720 1
264 . 1 1 22 22 PHE CD2 C 13 133.469 0.01 . . . . . A 561 PHE CD2 . 25720 1
265 . 1 1 22 22 PHE CE1 C 13 130.102 0.01 . . . . . A 561 PHE CE1 . 25720 1
266 . 1 1 22 22 PHE CE2 C 13 130.102 0.01 . . . . . A 561 PHE CE2 . 25720 1
267 . 1 1 22 22 PHE CZ C 13 129.758 0.01 . . . . . A 561 PHE CZ . 25720 1
268 . 1 1 22 22 PHE N N 15 116.627 0.03 . . . . . A 561 PHE N . 25720 1
269 . 1 1 23 23 PRO HB2 H 1 1.834 0.001 . . . . . A 562 PRO HB2 . 25720 1
270 . 1 1 23 23 PRO HB3 H 1 2.653 0.001 . . . . . A 562 PRO HB3 . 25720 1
271 . 1 1 23 23 PRO HG2 H 1 2.277 0.001 . . . . . A 562 PRO HG2 . 25720 1
272 . 1 1 23 23 PRO HD2 H 1 4.069 0.001 . . . . . A 562 PRO HD2 . 25720 1
273 . 1 1 23 23 PRO HD3 H 1 3.666 0.001 . . . . . A 562 PRO HD3 . 25720 1
274 . 1 1 23 23 PRO CB C 13 32.412 0.01 . . . . . A 562 PRO CB . 25720 1
275 . 1 1 23 23 PRO CG C 13 28.112 0.01 . . . . . A 562 PRO CG . 25720 1
276 . 1 1 23 23 PRO CD C 13 50.549 0.01 . . . . . A 562 PRO CD . 25720 1
277 . 1 1 24 24 PRO HA H 1 4.426 0.001 . . . . . A 563 PRO HA . 25720 1
278 . 1 1 24 24 PRO HB2 H 1 2.167 0.001 . . . . . A 563 PRO HB2 . 25720 1
279 . 1 1 24 24 PRO HB3 H 1 2.694 0.001 . . . . . A 563 PRO HB3 . 25720 1
280 . 1 1 24 24 PRO HG2 H 1 2.339 0.001 . . . . . A 563 PRO HG2 . 25720 1
281 . 1 1 24 24 PRO HG3 H 1 2.037 0.001 . . . . . A 563 PRO HG3 . 25720 1
282 . 1 1 24 24 PRO HD2 H 1 4.234 0.001 . . . . . A 563 PRO HD2 . 25720 1
283 . 1 1 24 24 PRO HD3 H 1 4.010 0.001 . . . . . A 563 PRO HD3 . 25720 1
284 . 1 1 24 24 PRO C C 13 178.231 0.01 . . . . . A 563 PRO C . 25720 1
285 . 1 1 24 24 PRO CA C 13 66.033 0.01 . . . . . A 563 PRO CA . 25720 1
286 . 1 1 24 24 PRO CB C 13 32.646 0.01 . . . . . A 563 PRO CB . 25720 1
287 . 1 1 24 24 PRO CG C 13 27.847 0.01 . . . . . A 563 PRO CG . 25720 1
288 . 1 1 24 24 PRO CD C 13 51.279 0.01 . . . . . A 563 PRO CD . 25720 1
289 . 1 1 25 25 HIS H H 1 8.599 0.001 . . . . . A 564 HIS H . 25720 1
290 . 1 1 25 25 HIS HA H 1 4.574 0.001 . . . . . A 564 HIS HA . 25720 1
291 . 1 1 25 25 HIS HB2 H 1 3.310 0.001 . . . . . A 564 HIS HB2 . 25720 1
292 . 1 1 25 25 HIS HB3 H 1 3.228 0.001 . . . . . A 564 HIS HB3 . 25720 1
293 . 1 1 25 25 HIS HD2 H 1 7.189 0.001 . . . . . A 564 HIS HD2 . 25720 1
294 . 1 1 25 25 HIS HE1 H 1 8.077 0.001 . . . . . A 564 HIS HE1 . 25720 1
295 . 1 1 25 25 HIS C C 13 178.456 0.01 . . . . . A 564 HIS C . 25720 1
296 . 1 1 25 25 HIS CA C 13 59.283 0.01 . . . . . A 564 HIS CA . 25720 1
297 . 1 1 25 25 HIS CB C 13 28.889 0.01 . . . . . A 564 HIS CB . 25720 1
298 . 1 1 25 25 HIS CD2 C 13 119.384 0.01 . . . . . A 564 HIS CD2 . 25720 1
299 . 1 1 25 25 HIS CE1 C 13 138.706 0.01 . . . . . A 564 HIS CE1 . 25720 1
300 . 1 1 25 25 HIS N N 15 113.418 0.03 . . . . . A 564 HIS N . 25720 1
301 . 1 1 26 26 LEU H H 1 6.986 0.001 . . . . . A 565 LEU H . 25720 1
302 . 1 1 26 26 LEU HA H 1 4.069 0.001 . . . . . A 565 LEU HA . 25720 1
303 . 1 1 26 26 LEU HB2 H 1 1.698 0.001 . . . . . A 565 LEU HB2 . 25720 1
304 . 1 1 26 26 LEU HB3 H 1 1.408 0.001 . . . . . A 565 LEU HB3 . 25720 1
305 . 1 1 26 26 LEU HG H 1 1.165 0.001 . . . . . A 565 LEU HG . 25720 1
306 . 1 1 26 26 LEU HD11 H 1 0.978 0.001 . . . . . A 565 LEU HD11 . 25720 1
307 . 1 1 26 26 LEU HD12 H 1 0.978 0.001 . . . . . A 565 LEU HD12 . 25720 1
308 . 1 1 26 26 LEU HD13 H 1 0.978 0.001 . . . . . A 565 LEU HD13 . 25720 1
309 . 1 1 26 26 LEU HD21 H 1 0.931 0.001 . . . . . A 565 LEU HD21 . 25720 1
310 . 1 1 26 26 LEU HD22 H 1 0.931 0.001 . . . . . A 565 LEU HD22 . 25720 1
311 . 1 1 26 26 LEU HD23 H 1 0.931 0.001 . . . . . A 565 LEU HD23 . 25720 1
312 . 1 1 26 26 LEU C C 13 177.647 0.01 . . . . . A 565 LEU C . 25720 1
313 . 1 1 26 26 LEU CA C 13 56.798 0.01 . . . . . A 565 LEU CA . 25720 1
314 . 1 1 26 26 LEU CB C 13 42.437 0.01 . . . . . A 565 LEU CB . 25720 1
315 . 1 1 26 26 LEU CG C 13 26.969 0.01 . . . . . A 565 LEU CG . 25720 1
316 . 1 1 26 26 LEU CD1 C 13 25.048 0.01 . . . . . A 565 LEU CD1 . 25720 1
317 . 1 1 26 26 LEU CD2 C 13 23.511 0.01 . . . . . A 565 LEU CD2 . 25720 1
318 . 1 1 26 26 LEU N N 15 121.397 0.03 . . . . . A 565 LEU N . 25720 1
319 . 1 1 27 27 VAL H H 1 7.378 0.001 . . . . . A 566 VAL H . 25720 1
320 . 1 1 27 27 VAL HA H 1 3.202 0.001 . . . . . A 566 VAL HA . 25720 1
321 . 1 1 27 27 VAL HB H 1 2.173 0.001 . . . . . A 566 VAL HB . 25720 1
322 . 1 1 27 27 VAL HG11 H 1 0.992 0.001 . . . . . A 566 VAL HG11 . 25720 1
323 . 1 1 27 27 VAL HG12 H 1 0.992 0.001 . . . . . A 566 VAL HG12 . 25720 1
324 . 1 1 27 27 VAL HG13 H 1 0.992 0.001 . . . . . A 566 VAL HG13 . 25720 1
325 . 1 1 27 27 VAL HG21 H 1 0.869 0.001 . . . . . A 566 VAL HG21 . 25720 1
326 . 1 1 27 27 VAL HG22 H 1 0.869 0.001 . . . . . A 566 VAL HG22 . 25720 1
327 . 1 1 27 27 VAL HG23 H 1 0.869 0.001 . . . . . A 566 VAL HG23 . 25720 1
328 . 1 1 27 27 VAL C C 13 178.100 0.01 . . . . . A 566 VAL C . 25720 1
329 . 1 1 27 27 VAL CA C 13 66.837 0.01 . . . . . A 566 VAL CA . 25720 1
330 . 1 1 27 27 VAL CB C 13 31.902 0.01 . . . . . A 566 VAL CB . 25720 1
331 . 1 1 27 27 VAL CG1 C 13 24.180 0.01 . . . . . A 566 VAL CG1 . 25720 1
332 . 1 1 27 27 VAL CG2 C 13 23.440 0.01 . . . . . A 566 VAL CG2 . 25720 1
333 . 1 1 27 27 VAL N N 15 118.805 0.03 . . . . . A 566 VAL N . 25720 1
334 . 1 1 28 28 GLU H H 1 8.787 0.001 . . . . . A 567 GLU H . 25720 1
335 . 1 1 28 28 GLU HA H 1 3.950 0.001 . . . . . A 567 GLU HA . 25720 1
336 . 1 1 28 28 GLU HB2 H 1 2.244 0.001 . . . . . A 567 GLU HB2 . 25720 1
337 . 1 1 28 28 GLU HB3 H 1 2.078 0.001 . . . . . A 567 GLU HB3 . 25720 1
338 . 1 1 28 28 GLU HG2 H 1 2.496 0.001 . . . . . A 567 GLU HG2 . 25720 1
339 . 1 1 28 28 GLU HG3 H 1 2.331 0.001 . . . . . A 567 GLU HG3 . 25720 1
340 . 1 1 28 28 GLU C C 13 178.367 0.01 . . . . . A 567 GLU C . 25720 1
341 . 1 1 28 28 GLU CA C 13 59.647 0.01 . . . . . A 567 GLU CA . 25720 1
342 . 1 1 28 28 GLU CB C 13 29.836 0.01 . . . . . A 567 GLU CB . 25720 1
343 . 1 1 28 28 GLU CG C 13 36.702 0.01 . . . . . A 567 GLU CG . 25720 1
344 . 1 1 28 28 GLU N N 15 117.532 0.03 . . . . . A 567 GLU N . 25720 1
345 . 1 1 29 29 ALA H H 1 7.327 0.001 . . . . . A 568 ALA H . 25720 1
346 . 1 1 29 29 ALA HA H 1 3.977 0.001 . . . . . A 568 ALA HA . 25720 1
347 . 1 1 29 29 ALA HB1 H 1 1.340 0.001 . . . . . A 568 ALA HB1 . 25720 1
348 . 1 1 29 29 ALA HB2 H 1 1.340 0.001 . . . . . A 568 ALA HB2 . 25720 1
349 . 1 1 29 29 ALA HB3 H 1 1.340 0.001 . . . . . A 568 ALA HB3 . 25720 1
350 . 1 1 29 29 ALA C C 13 180.553 0.01 . . . . . A 568 ALA C . 25720 1
351 . 1 1 29 29 ALA CA C 13 55.183 0.01 . . . . . A 568 ALA CA . 25720 1
352 . 1 1 29 29 ALA CB C 13 17.972 0.01 . . . . . A 568 ALA CB . 25720 1
353 . 1 1 29 29 ALA N N 15 119.136 0.03 . . . . . A 568 ALA N . 25720 1
354 . 1 1 30 30 VAL H H 1 7.694 0.001 . . . . . A 569 VAL H . 25720 1
355 . 1 1 30 30 VAL HA H 1 3.611 0.001 . . . . . A 569 VAL HA . 25720 1
356 . 1 1 30 30 VAL HB H 1 1.843 0.001 . . . . . A 569 VAL HB . 25720 1
357 . 1 1 30 30 VAL HG11 H 1 0.950 0.001 . . . . . A 569 VAL HG11 . 25720 1
358 . 1 1 30 30 VAL HG12 H 1 0.950 0.001 . . . . . A 569 VAL HG12 . 25720 1
359 . 1 1 30 30 VAL HG13 H 1 0.950 0.001 . . . . . A 569 VAL HG13 . 25720 1
360 . 1 1 30 30 VAL HG21 H 1 0.762 0.001 . . . . . A 569 VAL HG21 . 25720 1
361 . 1 1 30 30 VAL HG22 H 1 0.762 0.001 . . . . . A 569 VAL HG22 . 25720 1
362 . 1 1 30 30 VAL HG23 H 1 0.762 0.001 . . . . . A 569 VAL HG23 . 25720 1
363 . 1 1 30 30 VAL C C 13 177.821 0.01 . . . . . A 569 VAL C . 25720 1
364 . 1 1 30 30 VAL CA C 13 66.573 0.01 . . . . . A 569 VAL CA . 25720 1
365 . 1 1 30 30 VAL CB C 13 31.344 0.01 . . . . . A 569 VAL CB . 25720 1
366 . 1 1 30 30 VAL CG1 C 13 22.286 0.01 . . . . . A 569 VAL CG1 . 25720 1
367 . 1 1 30 30 VAL CG2 C 13 24.238 0.01 . . . . . A 569 VAL CG2 . 25720 1
368 . 1 1 30 30 VAL N N 15 117.417 0.03 . . . . . A 569 VAL N . 25720 1
369 . 1 1 31 31 MET H H 1 8.689 0.001 . . . . . A 570 MET H . 25720 1
370 . 1 1 31 31 MET HA H 1 4.023 0.001 . . . . . A 570 MET HA . 25720 1
371 . 1 1 31 31 MET HB2 H 1 2.242 0.001 . . . . . A 570 MET HB2 . 25720 1
372 . 1 1 31 31 MET HB3 H 1 1.989 0.001 . . . . . A 570 MET HB3 . 25720 1
373 . 1 1 31 31 MET HG2 H 1 2.954 0.001 . . . . . A 570 MET HG2 . 25720 1
374 . 1 1 31 31 MET HG3 H 1 2.529 0.001 . . . . . A 570 MET HG3 . 25720 1
375 . 1 1 31 31 MET HE1 H 1 2.191 0.001 . . . . . A 570 MET HE1 . 25720 1
376 . 1 1 31 31 MET HE2 H 1 2.191 0.001 . . . . . A 570 MET HE2 . 25720 1
377 . 1 1 31 31 MET HE3 H 1 2.191 0.001 . . . . . A 570 MET HE3 . 25720 1
378 . 1 1 31 31 MET C C 13 178.707 0.01 . . . . . A 570 MET C . 25720 1
379 . 1 1 31 31 MET CA C 13 60.668 0.01 . . . . . A 570 MET CA . 25720 1
380 . 1 1 31 31 MET CB C 13 32.661 0.01 . . . . . A 570 MET CB . 25720 1
381 . 1 1 31 31 MET CG C 13 34.367 0.01 . . . . . A 570 MET CG . 25720 1
382 . 1 1 31 31 MET CE C 13 16.757 0.01 . . . . . A 570 MET CE . 25720 1
383 . 1 1 31 31 MET N N 15 119.233 0.03 . . . . . A 570 MET N . 25720 1
384 . 1 1 32 32 ARG H H 1 7.736 0.001 . . . . . A 571 ARG H . 25720 1
385 . 1 1 32 32 ARG HA H 1 4.074 0.001 . . . . . A 571 ARG HA . 25720 1
386 . 1 1 32 32 ARG HB2 H 1 1.909 0.001 . . . . . A 571 ARG HB2 . 25720 1
387 . 1 1 32 32 ARG HB3 H 1 1.829 0.001 . . . . . A 571 ARG HB3 . 25720 1
388 . 1 1 32 32 ARG HG2 H 1 1.800 0.001 . . . . . A 571 ARG HG2 . 25720 1
389 . 1 1 32 32 ARG HG3 H 1 1.639 0.001 . . . . . A 571 ARG HG3 . 25720 1
390 . 1 1 32 32 ARG HD2 H 1 3.206 0.001 . . . . . A 571 ARG HD2 . 25720 1
391 . 1 1 32 32 ARG HD3 H 1 3.206 0.001 . . . . . A 571 ARG HD3 . 25720 1
392 . 1 1 32 32 ARG HE H 1 7.428 0.001 . . . . . A 571 ARG HE . 25720 1
393 . 1 1 32 32 ARG C C 13 177.978 0.01 . . . . . A 571 ARG C . 25720 1
394 . 1 1 32 32 ARG CA C 13 58.627 0.01 . . . . . A 571 ARG CA . 25720 1
395 . 1 1 32 32 ARG CB C 13 30.350 0.01 . . . . . A 571 ARG CB . 25720 1
396 . 1 1 32 32 ARG CG C 13 27.940 0.01 . . . . . A 571 ARG CG . 25720 1
397 . 1 1 32 32 ARG CD C 13 43.616 0.01 . . . . . A 571 ARG CD . 25720 1
398 . 1 1 32 32 ARG CZ C 13 159.628 0.01 . . . . . A 571 ARG CZ . 25720 1
399 . 1 1 32 32 ARG N N 15 116.087 0.03 . . . . . A 571 ARG N . 25720 1
400 . 1 1 32 32 ARG NE N 15 84.854 0.03 . . . . . A 571 ARG NE . 25720 1
401 . 1 1 33 33 ARG H H 1 7.257 0.001 . . . . . A 572 ARG H . 25720 1
402 . 1 1 33 33 ARG HA H 1 3.957 0.001 . . . . . A 572 ARG HA . 25720 1
403 . 1 1 33 33 ARG HB2 H 1 1.741 0.001 . . . . . A 572 ARG HB2 . 25720 1
404 . 1 1 33 33 ARG HB3 H 1 1.582 0.001 . . . . . A 572 ARG HB3 . 25720 1
405 . 1 1 33 33 ARG HG2 H 1 1.440 0.001 . . . . . A 572 ARG HG2 . 25720 1
406 . 1 1 33 33 ARG HG3 H 1 1.190 0.001 . . . . . A 572 ARG HG3 . 25720 1
407 . 1 1 33 33 ARG HD2 H 1 3.055 0.001 . . . . . A 572 ARG HD2 . 25720 1
408 . 1 1 33 33 ARG HD3 H 1 3.055 0.001 . . . . . A 572 ARG HD3 . 25720 1
409 . 1 1 33 33 ARG HE H 1 7.257 0.001 . . . . . A 572 ARG HE . 25720 1
410 . 1 1 33 33 ARG C C 13 175.737 0.01 . . . . . A 572 ARG C . 25720 1
411 . 1 1 33 33 ARG CA C 13 57.700 0.01 . . . . . A 572 ARG CA . 25720 1
412 . 1 1 33 33 ARG CB C 13 30.837 0.01 . . . . . A 572 ARG CB . 25720 1
413 . 1 1 33 33 ARG CG C 13 27.635 0.01 . . . . . A 572 ARG CG . 25720 1
414 . 1 1 33 33 ARG CD C 13 43.516 0.01 . . . . . A 572 ARG CD . 25720 1
415 . 1 1 33 33 ARG CZ C 13 159.569 0.01 . . . . . A 572 ARG CZ . 25720 1
416 . 1 1 33 33 ARG N N 15 118.791 0.03 . . . . . A 572 ARG N . 25720 1
417 . 1 1 33 33 ARG NE N 15 84.685 0.03 . . . . . A 572 ARG NE . 25720 1
418 . 1 1 34 34 PHE H H 1 7.547 0.001 . . . . . A 573 PHE H . 25720 1
419 . 1 1 34 34 PHE HA H 1 5.109 0.001 . . . . . A 573 PHE HA . 25720 1
420 . 1 1 34 34 PHE HB2 H 1 3.156 0.001 . . . . . A 573 PHE HB2 . 25720 1
421 . 1 1 34 34 PHE HB3 H 1 2.857 0.001 . . . . . A 573 PHE HB3 . 25720 1
422 . 1 1 34 34 PHE HD1 H 1 7.393 0.001 . . . . . A 573 PHE HD1 . 25720 1
423 . 1 1 34 34 PHE HD2 H 1 7.393 0.001 . . . . . A 573 PHE HD2 . 25720 1
424 . 1 1 34 34 PHE HE1 H 1 7.323 0.001 . . . . . A 573 PHE HE1 . 25720 1
425 . 1 1 34 34 PHE HE2 H 1 7.323 0.001 . . . . . A 573 PHE HE2 . 25720 1
426 . 1 1 34 34 PHE HZ H 1 7.276 0.001 . . . . . A 573 PHE HZ . 25720 1
427 . 1 1 34 34 PHE C C 13 174.244 0.01 . . . . . A 573 PHE C . 25720 1
428 . 1 1 34 34 PHE CA C 13 55.178 0.01 . . . . . A 573 PHE CA . 25720 1
429 . 1 1 34 34 PHE CB C 13 39.703 0.01 . . . . . A 573 PHE CB . 25720 1
430 . 1 1 34 34 PHE CD1 C 13 132.375 0.01 . . . . . A 573 PHE CD1 . 25720 1
431 . 1 1 34 34 PHE CD2 C 13 132.375 0.01 . . . . . A 573 PHE CD2 . 25720 1
432 . 1 1 34 34 PHE CE1 C 13 130.780 0.01 . . . . . A 573 PHE CE1 . 25720 1
433 . 1 1 34 34 PHE CE2 C 13 130.780 0.01 . . . . . A 573 PHE CE2 . 25720 1
434 . 1 1 34 34 PHE CZ C 13 129.808 0.01 . . . . . A 573 PHE CZ . 25720 1
435 . 1 1 34 34 PHE N N 15 116.580 0.03 . . . . . A 573 PHE N . 25720 1
436 . 1 1 35 35 PRO HA H 1 4.634 0.001 . . . . . A 574 PRO HA . 25720 1
437 . 1 1 35 35 PRO HB2 H 1 2.044 0.001 . . . . . A 574 PRO HB2 . 25720 1
438 . 1 1 35 35 PRO HB3 H 1 2.342 0.001 . . . . . A 574 PRO HB3 . 25720 1
439 . 1 1 35 35 PRO HG2 H 1 2.059 0.001 . . . . . A 574 PRO HG2 . 25720 1
440 . 1 1 35 35 PRO HG3 H 1 1.968 0.001 . . . . . A 574 PRO HG3 . 25720 1
441 . 1 1 35 35 PRO HD2 H 1 3.651 0.001 . . . . . A 574 PRO HD2 . 25720 1
442 . 1 1 35 35 PRO HD3 H 1 3.389 0.001 . . . . . A 574 PRO HD3 . 25720 1
443 . 1 1 35 35 PRO C C 13 177.428 0.01 . . . . . A 574 PRO C . 25720 1
444 . 1 1 35 35 PRO CA C 13 64.843 0.01 . . . . . A 574 PRO CA . 25720 1
445 . 1 1 35 35 PRO CB C 13 32.189 0.01 . . . . . A 574 PRO CB . 25720 1
446 . 1 1 35 35 PRO CG C 13 27.365 0.01 . . . . . A 574 PRO CG . 25720 1
447 . 1 1 35 35 PRO CD C 13 50.395 0.01 . . . . . A 574 PRO CD . 25720 1
448 . 1 1 36 36 GLN H H 1 8.854 0.001 . . . . . A 575 GLN H . 25720 1
449 . 1 1 36 36 GLN HA H 1 4.483 0.001 . . . . . A 575 GLN HA . 25720 1
450 . 1 1 36 36 GLN HB2 H 1 2.340 0.001 . . . . . A 575 GLN HB2 . 25720 1
451 . 1 1 36 36 GLN HB3 H 1 2.070 0.001 . . . . . A 575 GLN HB3 . 25720 1
452 . 1 1 36 36 GLN HG2 H 1 2.485 0.001 . . . . . A 575 GLN HG2 . 25720 1
453 . 1 1 36 36 GLN HG3 H 1 2.359 0.001 . . . . . A 575 GLN HG3 . 25720 1
454 . 1 1 36 36 GLN HE21 H 1 6.946 0.001 . . . . . A 575 GLN HE21 . 25720 1
455 . 1 1 36 36 GLN HE22 H 1 7.643 0.001 . . . . . A 575 GLN HE22 . 25720 1
456 . 1 1 36 36 GLN C C 13 175.741 0.01 . . . . . A 575 GLN C . 25720 1
457 . 1 1 36 36 GLN CA C 13 55.387 0.01 . . . . . A 575 GLN CA . 25720 1
458 . 1 1 36 36 GLN CB C 13 28.737 0.01 . . . . . A 575 GLN CB . 25720 1
459 . 1 1 36 36 GLN CG C 13 34.330 0.01 . . . . . A 575 GLN CG . 25720 1
460 . 1 1 36 36 GLN CD C 13 180.681 0.01 . . . . . A 575 GLN CD . 25720 1
461 . 1 1 36 36 GLN N N 15 115.442 0.03 . . . . . A 575 GLN N . 25720 1
462 . 1 1 36 36 GLN NE2 N 15 111.905 0.03 . . . . . A 575 GLN NE2 . 25720 1
463 . 1 1 37 37 LEU H H 1 7.534 0.001 . . . . . A 576 LEU H . 25720 1
464 . 1 1 37 37 LEU HA H 1 4.460 0.001 . . . . . A 576 LEU HA . 25720 1
465 . 1 1 37 37 LEU HB2 H 1 1.852 0.001 . . . . . A 576 LEU HB2 . 25720 1
466 . 1 1 37 37 LEU HB3 H 1 1.695 0.001 . . . . . A 576 LEU HB3 . 25720 1
467 . 1 1 37 37 LEU HG H 1 1.539 0.001 . . . . . A 576 LEU HG . 25720 1
468 . 1 1 37 37 LEU HD11 H 1 0.930 0.001 . . . . . A 576 LEU HD11 . 25720 1
469 . 1 1 37 37 LEU HD12 H 1 0.930 0.001 . . . . . A 576 LEU HD12 . 25720 1
470 . 1 1 37 37 LEU HD13 H 1 0.930 0.001 . . . . . A 576 LEU HD13 . 25720 1
471 . 1 1 37 37 LEU HD21 H 1 0.746 0.001 . . . . . A 576 LEU HD21 . 25720 1
472 . 1 1 37 37 LEU HD22 H 1 0.746 0.001 . . . . . A 576 LEU HD22 . 25720 1
473 . 1 1 37 37 LEU HD23 H 1 0.746 0.001 . . . . . A 576 LEU HD23 . 25720 1
474 . 1 1 37 37 LEU C C 13 175.287 0.01 . . . . . A 576 LEU C . 25720 1
475 . 1 1 37 37 LEU CA C 13 55.180 0.01 . . . . . A 576 LEU CA . 25720 1
476 . 1 1 37 37 LEU CB C 13 43.533 0.01 . . . . . A 576 LEU CB . 25720 1
477 . 1 1 37 37 LEU CG C 13 27.363 0.01 . . . . . A 576 LEU CG . 25720 1
478 . 1 1 37 37 LEU CD1 C 13 23.511 0.01 . . . . . A 576 LEU CD1 . 25720 1
479 . 1 1 37 37 LEU CD2 C 13 24.424 0.01 . . . . . A 576 LEU CD2 . 25720 1
480 . 1 1 37 37 LEU N N 15 122.503 0.03 . . . . . A 576 LEU N . 25720 1
481 . 1 1 38 38 LEU H H 1 8.642 0.001 . . . . . A 577 LEU H . 25720 1
482 . 1 1 38 38 LEU HA H 1 4.609 0.001 . . . . . A 577 LEU HA . 25720 1
483 . 1 1 38 38 LEU HB2 H 1 1.755 0.001 . . . . . A 577 LEU HB2 . 25720 1
484 . 1 1 38 38 LEU HB3 H 1 1.598 0.001 . . . . . A 577 LEU HB3 . 25720 1
485 . 1 1 38 38 LEU HG H 1 1.605 0.001 . . . . . A 577 LEU HG . 25720 1
486 . 1 1 38 38 LEU HD11 H 1 0.955 0.001 . . . . . A 577 LEU HD11 . 25720 1
487 . 1 1 38 38 LEU HD12 H 1 0.955 0.001 . . . . . A 577 LEU HD12 . 25720 1
488 . 1 1 38 38 LEU HD13 H 1 0.955 0.001 . . . . . A 577 LEU HD13 . 25720 1
489 . 1 1 38 38 LEU HD21 H 1 0.857 0.001 . . . . . A 577 LEU HD21 . 25720 1
490 . 1 1 38 38 LEU HD22 H 1 0.857 0.001 . . . . . A 577 LEU HD22 . 25720 1
491 . 1 1 38 38 LEU HD23 H 1 0.857 0.001 . . . . . A 577 LEU HD23 . 25720 1
492 . 1 1 38 38 LEU C C 13 175.420 0.01 . . . . . A 577 LEU C . 25720 1
493 . 1 1 38 38 LEU CA C 13 53.569 0.01 . . . . . A 577 LEU CA . 25720 1
494 . 1 1 38 38 LEU CB C 13 43.988 0.01 . . . . . A 577 LEU CB . 25720 1
495 . 1 1 38 38 LEU CG C 13 26.995 0.01 . . . . . A 577 LEU CG . 25720 1
496 . 1 1 38 38 LEU CD1 C 13 25.596 0.01 . . . . . A 577 LEU CD1 . 25720 1
497 . 1 1 38 38 LEU CD2 C 13 23.739 0.01 . . . . . A 577 LEU CD2 . 25720 1
498 . 1 1 38 38 LEU N N 15 123.692 0.03 . . . . . A 577 LEU N . 25720 1
499 . 1 1 39 39 ASP H H 1 6.857 0.001 . . . . . A 578 ASP H . 25720 1
500 . 1 1 39 39 ASP HA H 1 5.008 0.001 . . . . . A 578 ASP HA . 25720 1
501 . 1 1 39 39 ASP HB2 H 1 2.801 0.001 . . . . . A 578 ASP HB2 . 25720 1
502 . 1 1 39 39 ASP HB3 H 1 2.801 0.001 . . . . . A 578 ASP HB3 . 25720 1
503 . 1 1 39 39 ASP C C 13 175.312 0.01 . . . . . A 578 ASP C . 25720 1
504 . 1 1 39 39 ASP CA C 13 51.303 0.01 . . . . . A 578 ASP CA . 25720 1
505 . 1 1 39 39 ASP CB C 13 42.825 0.01 . . . . . A 578 ASP CB . 25720 1
506 . 1 1 39 39 ASP N N 15 119.443 0.03 . . . . . A 578 ASP N . 25720 1
507 . 1 1 40 40 PRO HA H 1 4.171 0.001 . . . . . A 579 PRO HA . 25720 1
508 . 1 1 40 40 PRO HB2 H 1 2.243 0.001 . . . . . A 579 PRO HB2 . 25720 1
509 . 1 1 40 40 PRO HB3 H 1 2.243 0.001 . . . . . A 579 PRO HB3 . 25720 1
510 . 1 1 40 40 PRO HG2 H 1 2.377 0.001 . . . . . A 579 PRO HG2 . 25720 1
511 . 1 1 40 40 PRO HG3 H 1 2.119 0.001 . . . . . A 579 PRO HG3 . 25720 1
512 . 1 1 40 40 PRO HD2 H 1 4.461 0.001 . . . . . A 579 PRO HD2 . 25720 1
513 . 1 1 40 40 PRO HD3 H 1 4.090 0.001 . . . . . A 579 PRO HD3 . 25720 1
514 . 1 1 40 40 PRO C C 13 177.578 0.01 . . . . . A 579 PRO C . 25720 1
515 . 1 1 40 40 PRO CA C 13 65.395 0.01 . . . . . A 579 PRO CA . 25720 1
516 . 1 1 40 40 PRO CB C 13 32.554 0.01 . . . . . A 579 PRO CB . 25720 1
517 . 1 1 40 40 PRO CG C 13 27.603 0.01 . . . . . A 579 PRO CG . 25720 1
518 . 1 1 40 40 PRO CD C 13 51.360 0.01 . . . . . A 579 PRO CD . 25720 1
519 . 1 1 41 41 GLN H H 1 8.056 0.001 . . . . . A 580 GLN H . 25720 1
520 . 1 1 41 41 GLN HA H 1 3.692 0.001 . . . . . A 580 GLN HA . 25720 1
521 . 1 1 41 41 GLN HB2 H 1 2.300 0.001 . . . . . A 580 GLN HB2 . 25720 1
522 . 1 1 41 41 GLN HB3 H 1 2.216 0.001 . . . . . A 580 GLN HB3 . 25720 1
523 . 1 1 41 41 GLN HG2 H 1 2.616 0.001 . . . . . A 580 GLN HG2 . 25720 1
524 . 1 1 41 41 GLN HG3 H 1 2.178 0.001 . . . . . A 580 GLN HG3 . 25720 1
525 . 1 1 41 41 GLN HE21 H 1 6.948 0.001 . . . . . A 580 GLN HE21 . 25720 1
526 . 1 1 41 41 GLN HE22 H 1 7.974 0.001 . . . . . A 580 GLN HE22 . 25720 1
527 . 1 1 41 41 GLN C C 13 178.727 0.01 . . . . . A 580 GLN C . 25720 1
528 . 1 1 41 41 GLN CA C 13 60.285 0.01 . . . . . A 580 GLN CA . 25720 1
529 . 1 1 41 41 GLN CB C 13 29.273 0.01 . . . . . A 580 GLN CB . 25720 1
530 . 1 1 41 41 GLN CG C 13 36.245 0.01 . . . . . A 580 GLN CG . 25720 1
531 . 1 1 41 41 GLN CD C 13 179.831 0.01 . . . . . A 580 GLN CD . 25720 1
532 . 1 1 41 41 GLN N N 15 115.592 0.03 . . . . . A 580 GLN N . 25720 1
533 . 1 1 41 41 GLN NE2 N 15 111.614 0.03 . . . . . A 580 GLN NE2 . 25720 1
534 . 1 1 42 42 GLN H H 1 7.707 0.001 . . . . . A 581 GLN H . 25720 1
535 . 1 1 42 42 GLN HA H 1 4.149 0.001 . . . . . A 581 GLN HA . 25720 1
536 . 1 1 42 42 GLN HB2 H 1 2.103 0.001 . . . . . A 581 GLN HB2 . 25720 1
537 . 1 1 42 42 GLN HB3 H 1 2.103 0.001 . . . . . A 581 GLN HB3 . 25720 1
538 . 1 1 42 42 GLN HG2 H 1 2.475 0.001 . . . . . A 581 GLN HG2 . 25720 1
539 . 1 1 42 42 GLN HG3 H 1 2.402 0.001 . . . . . A 581 GLN HG3 . 25720 1
540 . 1 1 42 42 GLN HE21 H 1 6.862 0.001 . . . . . A 581 GLN HE21 . 25720 1
541 . 1 1 42 42 GLN HE22 H 1 7.730 0.001 . . . . . A 581 GLN HE22 . 25720 1
542 . 1 1 42 42 GLN C C 13 179.356 0.01 . . . . . A 581 GLN C . 25720 1
543 . 1 1 42 42 GLN CA C 13 58.288 0.01 . . . . . A 581 GLN CA . 25720 1
544 . 1 1 42 42 GLN CB C 13 29.104 0.01 . . . . . A 581 GLN CB . 25720 1
545 . 1 1 42 42 GLN CG C 13 34.074 0.01 . . . . . A 581 GLN CG . 25720 1
546 . 1 1 42 42 GLN CD C 13 179.040 0.01 . . . . . A 581 GLN CD . 25720 1
547 . 1 1 42 42 GLN N N 15 119.480 0.03 . . . . . A 581 GLN N . 25720 1
548 . 1 1 42 42 GLN NE2 N 15 112.406 0.03 . . . . . A 581 GLN NE2 . 25720 1
549 . 1 1 43 43 LEU H H 1 8.206 0.001 . . . . . A 582 LEU H . 25720 1
550 . 1 1 43 43 LEU HA H 1 3.730 0.001 . . . . . A 582 LEU HA . 25720 1
551 . 1 1 43 43 LEU HB2 H 1 1.890 0.001 . . . . . A 582 LEU HB2 . 25720 1
552 . 1 1 43 43 LEU HB3 H 1 1.112 0.001 . . . . . A 582 LEU HB3 . 25720 1
553 . 1 1 43 43 LEU HG H 1 1.457 0.001 . . . . . A 582 LEU HG . 25720 1
554 . 1 1 43 43 LEU HD11 H 1 0.850 0.001 . . . . . A 582 LEU HD11 . 25720 1
555 . 1 1 43 43 LEU HD12 H 1 0.850 0.001 . . . . . A 582 LEU HD12 . 25720 1
556 . 1 1 43 43 LEU HD13 H 1 0.850 0.001 . . . . . A 582 LEU HD13 . 25720 1
557 . 1 1 43 43 LEU HD21 H 1 0.800 0.001 . . . . . A 582 LEU HD21 . 25720 1
558 . 1 1 43 43 LEU HD22 H 1 0.800 0.001 . . . . . A 582 LEU HD22 . 25720 1
559 . 1 1 43 43 LEU HD23 H 1 0.800 0.001 . . . . . A 582 LEU HD23 . 25720 1
560 . 1 1 43 43 LEU C C 13 178.417 0.01 . . . . . A 582 LEU C . 25720 1
561 . 1 1 43 43 LEU CA C 13 58.358 0.01 . . . . . A 582 LEU CA . 25720 1
562 . 1 1 43 43 LEU CB C 13 42.977 0.01 . . . . . A 582 LEU CB . 25720 1
563 . 1 1 43 43 LEU CG C 13 28.343 0.01 . . . . . A 582 LEU CG . 25720 1
564 . 1 1 43 43 LEU CD1 C 13 24.397 0.01 . . . . . A 582 LEU CD1 . 25720 1
565 . 1 1 43 43 LEU CD2 C 13 25.774 0.01 . . . . . A 582 LEU CD2 . 25720 1
566 . 1 1 43 43 LEU N N 15 119.281 0.03 . . . . . A 582 LEU N . 25720 1
567 . 1 1 44 44 ALA H H 1 8.377 0.001 . . . . . A 583 ALA H . 25720 1
568 . 1 1 44 44 ALA HA H 1 3.748 0.001 . . . . . A 583 ALA HA . 25720 1
569 . 1 1 44 44 ALA HB1 H 1 1.635 0.001 . . . . . A 583 ALA HB1 . 25720 1
570 . 1 1 44 44 ALA HB2 H 1 1.635 0.001 . . . . . A 583 ALA HB2 . 25720 1
571 . 1 1 44 44 ALA HB3 H 1 1.635 0.001 . . . . . A 583 ALA HB3 . 25720 1
572 . 1 1 44 44 ALA C C 13 178.308 0.01 . . . . . A 583 ALA C . 25720 1
573 . 1 1 44 44 ALA CA C 13 55.420 0.01 . . . . . A 583 ALA CA . 25720 1
574 . 1 1 44 44 ALA CB C 13 18.211 0.01 . . . . . A 583 ALA CB . 25720 1
575 . 1 1 44 44 ALA N N 15 120.479 0.03 . . . . . A 583 ALA N . 25720 1
576 . 1 1 45 45 ALA H H 1 7.544 0.001 . . . . . A 584 ALA H . 25720 1
577 . 1 1 45 45 ALA HA H 1 4.059 0.001 . . . . . A 584 ALA HA . 25720 1
578 . 1 1 45 45 ALA HB1 H 1 1.607 0.001 . . . . . A 584 ALA HB1 . 25720 1
579 . 1 1 45 45 ALA HB2 H 1 1.607 0.001 . . . . . A 584 ALA HB2 . 25720 1
580 . 1 1 45 45 ALA HB3 H 1 1.607 0.001 . . . . . A 584 ALA HB3 . 25720 1
581 . 1 1 45 45 ALA C C 13 180.951 0.01 . . . . . A 584 ALA C . 25720 1
582 . 1 1 45 45 ALA CA C 13 55.396 0.01 . . . . . A 584 ALA CA . 25720 1
583 . 1 1 45 45 ALA CB C 13 17.915 0.01 . . . . . A 584 ALA CB . 25720 1
584 . 1 1 45 45 ALA N N 15 118.825 0.03 . . . . . A 584 ALA N . 25720 1
585 . 1 1 46 46 GLU H H 1 7.847 0.001 . . . . . A 585 GLU H . 25720 1
586 . 1 1 46 46 GLU HA H 1 4.365 0.001 . . . . . A 585 GLU HA . 25720 1
587 . 1 1 46 46 GLU HB2 H 1 1.989 0.001 . . . . . A 585 GLU HB2 . 25720 1
588 . 1 1 46 46 GLU HB3 H 1 1.759 0.001 . . . . . A 585 GLU HB3 . 25720 1
589 . 1 1 46 46 GLU HG2 H 1 2.199 0.001 . . . . . A 585 GLU HG2 . 25720 1
590 . 1 1 46 46 GLU HG3 H 1 1.341 0.001 . . . . . A 585 GLU HG3 . 25720 1
591 . 1 1 46 46 GLU C C 13 180.269 0.01 . . . . . A 585 GLU C . 25720 1
592 . 1 1 46 46 GLU CA C 13 57.808 0.01 . . . . . A 585 GLU CA . 25720 1
593 . 1 1 46 46 GLU CB C 13 28.722 0.01 . . . . . A 585 GLU CB . 25720 1
594 . 1 1 46 46 GLU CG C 13 33.921 0.01 . . . . . A 585 GLU CG . 25720 1
595 . 1 1 46 46 GLU N N 15 117.697 0.03 . . . . . A 585 GLU N . 25720 1
596 . 1 1 47 47 ILE H H 1 8.658 0.001 . . . . . A 586 ILE H . 25720 1
597 . 1 1 47 47 ILE HA H 1 3.577 0.001 . . . . . A 586 ILE HA . 25720 1
598 . 1 1 47 47 ILE HB H 1 1.263 0.001 . . . . . A 586 ILE HB . 25720 1
599 . 1 1 47 47 ILE HG12 H 1 1.720 0.001 . . . . . A 586 ILE HG12 . 25720 1
600 . 1 1 47 47 ILE HG13 H 1 0.463 0.001 . . . . . A 586 ILE HG13 . 25720 1
601 . 1 1 47 47 ILE HG21 H 1 0.149 0.001 . . . . . A 586 ILE HG21 . 25720 1
602 . 1 1 47 47 ILE HG22 H 1 0.149 0.001 . . . . . A 586 ILE HG22 . 25720 1
603 . 1 1 47 47 ILE HG23 H 1 0.149 0.001 . . . . . A 586 ILE HG23 . 25720 1
604 . 1 1 47 47 ILE HD11 H 1 0.361 0.001 . . . . . A 586 ILE HD11 . 25720 1
605 . 1 1 47 47 ILE HD12 H 1 0.361 0.001 . . . . . A 586 ILE HD12 . 25720 1
606 . 1 1 47 47 ILE HD13 H 1 0.361 0.001 . . . . . A 586 ILE HD13 . 25720 1
607 . 1 1 47 47 ILE C C 13 177.552 0.01 . . . . . A 586 ILE C . 25720 1
608 . 1 1 47 47 ILE CA C 13 65.986 0.01 . . . . . A 586 ILE CA . 25720 1
609 . 1 1 47 47 ILE CB C 13 37.334 0.01 . . . . . A 586 ILE CB . 25720 1
610 . 1 1 47 47 ILE CG1 C 13 29.600 0.01 . . . . . A 586 ILE CG1 . 25720 1
611 . 1 1 47 47 ILE CG2 C 13 17.916 0.01 . . . . . A 586 ILE CG2 . 25720 1
612 . 1 1 47 47 ILE CD1 C 13 16.275 0.01 . . . . . A 586 ILE CD1 . 25720 1
613 . 1 1 47 47 ILE N N 15 123.573 0.03 . . . . . A 586 ILE N . 25720 1
614 . 1 1 48 48 LEU H H 1 7.933 0.001 . . . . . A 587 LEU H . 25720 1
615 . 1 1 48 48 LEU HA H 1 4.063 0.001 . . . . . A 587 LEU HA . 25720 1
616 . 1 1 48 48 LEU HB2 H 1 1.939 0.001 . . . . . A 587 LEU HB2 . 25720 1
617 . 1 1 48 48 LEU HB3 H 1 1.657 0.001 . . . . . A 587 LEU HB3 . 25720 1
618 . 1 1 48 48 LEU HG H 1 1.927 0.001 . . . . . A 587 LEU HG . 25720 1
619 . 1 1 48 48 LEU HD11 H 1 1.177 0.001 . . . . . A 587 LEU HD11 . 25720 1
620 . 1 1 48 48 LEU HD12 H 1 1.177 0.001 . . . . . A 587 LEU HD12 . 25720 1
621 . 1 1 48 48 LEU HD13 H 1 1.177 0.001 . . . . . A 587 LEU HD13 . 25720 1
622 . 1 1 48 48 LEU HD21 H 1 1.062 0.001 . . . . . A 587 LEU HD21 . 25720 1
623 . 1 1 48 48 LEU HD22 H 1 1.062 0.001 . . . . . A 587 LEU HD22 . 25720 1
624 . 1 1 48 48 LEU HD23 H 1 1.062 0.001 . . . . . A 587 LEU HD23 . 25720 1
625 . 1 1 48 48 LEU C C 13 179.811 0.01 . . . . . A 587 LEU C . 25720 1
626 . 1 1 48 48 LEU CA C 13 58.145 0.01 . . . . . A 587 LEU CA . 25720 1
627 . 1 1 48 48 LEU CB C 13 41.254 0.01 . . . . . A 587 LEU CB . 25720 1
628 . 1 1 48 48 LEU CG C 13 27.593 0.01 . . . . . A 587 LEU CG . 25720 1
629 . 1 1 48 48 LEU CD1 C 13 23.758 0.01 . . . . . A 587 LEU CD1 . 25720 1
630 . 1 1 48 48 LEU CD2 C 13 26.081 0.01 . . . . . A 587 LEU CD2 . 25720 1
631 . 1 1 48 48 LEU N N 15 119.631 0.03 . . . . . A 587 LEU N . 25720 1
632 . 1 1 49 49 SER H H 1 7.987 0.001 . . . . . A 588 SER H . 25720 1
633 . 1 1 49 49 SER HA H 1 4.369 0.001 . . . . . A 588 SER HA . 25720 1
634 . 1 1 49 49 SER HB2 H 1 4.056 0.001 . . . . . A 588 SER HB2 . 25720 1
635 . 1 1 49 49 SER HB3 H 1 4.056 0.001 . . . . . A 588 SER HB3 . 25720 1
636 . 1 1 49 49 SER C C 13 176.597 0.01 . . . . . A 588 SER C . 25720 1
637 . 1 1 49 49 SER CA C 13 60.854 0.01 . . . . . A 588 SER CA . 25720 1
638 . 1 1 49 49 SER CB C 13 63.082 0.01 . . . . . A 588 SER CB . 25720 1
639 . 1 1 49 49 SER N N 15 114.863 0.03 . . . . . A 588 SER N . 25720 1
640 . 1 1 50 50 TYR H H 1 8.423 0.001 . . . . . A 589 TYR H . 25720 1
641 . 1 1 50 50 TYR HA H 1 4.279 0.001 . . . . . A 589 TYR HA . 25720 1
642 . 1 1 50 50 TYR HB2 H 1 3.170 0.001 . . . . . A 589 TYR HB2 . 25720 1
643 . 1 1 50 50 TYR HB3 H 1 3.170 0.001 . . . . . A 589 TYR HB3 . 25720 1
644 . 1 1 50 50 TYR HD1 H 1 7.020 0.001 . . . . . A 589 TYR HD1 . 25720 1
645 . 1 1 50 50 TYR HD2 H 1 7.020 0.001 . . . . . A 589 TYR HD2 . 25720 1
646 . 1 1 50 50 TYR HE1 H 1 6.647 0.001 . . . . . A 589 TYR HE1 . 25720 1
647 . 1 1 50 50 TYR HE2 H 1 6.647 0.001 . . . . . A 589 TYR HE2 . 25720 1
648 . 1 1 50 50 TYR C C 13 178.431 0.01 . . . . . A 589 TYR C . 25720 1
649 . 1 1 50 50 TYR CA C 13 61.453 0.01 . . . . . A 589 TYR CA . 25720 1
650 . 1 1 50 50 TYR CB C 13 39.074 0.01 . . . . . A 589 TYR CB . 25720 1
651 . 1 1 50 50 TYR CD1 C 13 133.056 0.01 . . . . . A 589 TYR CD1 . 25720 1
652 . 1 1 50 50 TYR CD2 C 13 133.056 0.01 . . . . . A 589 TYR CD2 . 25720 1
653 . 1 1 50 50 TYR CE1 C 13 117.849 0.01 . . . . . A 589 TYR CE1 . 25720 1
654 . 1 1 50 50 TYR CE2 C 13 117.849 0.01 . . . . . A 589 TYR CE2 . 25720 1
655 . 1 1 50 50 TYR N N 15 123.628 0.03 . . . . . A 589 TYR N . 25720 1
656 . 1 1 51 51 LYS H H 1 8.651 0.001 . . . . . A 590 LYS H . 25720 1
657 . 1 1 51 51 LYS HA H 1 4.115 0.001 . . . . . A 590 LYS HA . 25720 1
658 . 1 1 51 51 LYS HB2 H 1 2.010 0.001 . . . . . A 590 LYS HB2 . 25720 1
659 . 1 1 51 51 LYS HB3 H 1 2.010 0.001 . . . . . A 590 LYS HB3 . 25720 1
660 . 1 1 51 51 LYS HG2 H 1 1.744 0.001 . . . . . A 590 LYS HG2 . 25720 1
661 . 1 1 51 51 LYS HG3 H 1 1.568 0.001 . . . . . A 590 LYS HG3 . 25720 1
662 . 1 1 51 51 LYS HD2 H 1 1.835 0.001 . . . . . A 590 LYS HD2 . 25720 1
663 . 1 1 51 51 LYS HD3 H 1 1.750 0.001 . . . . . A 590 LYS HD3 . 25720 1
664 . 1 1 51 51 LYS HE2 H 1 3.117 0.001 . . . . . A 590 LYS HE2 . 25720 1
665 . 1 1 51 51 LYS HE3 H 1 3.117 0.001 . . . . . A 590 LYS HE3 . 25720 1
666 . 1 1 51 51 LYS C C 13 178.057 0.01 . . . . . A 590 LYS C . 25720 1
667 . 1 1 51 51 LYS CA C 13 58.933 0.01 . . . . . A 590 LYS CA . 25720 1
668 . 1 1 51 51 LYS CB C 13 32.760 0.01 . . . . . A 590 LYS CB . 25720 1
669 . 1 1 51 51 LYS CG C 13 24.798 0.01 . . . . . A 590 LYS CG . 25720 1
670 . 1 1 51 51 LYS CD C 13 29.549 0.01 . . . . . A 590 LYS CD . 25720 1
671 . 1 1 51 51 LYS CE C 13 41.820 0.01 . . . . . A 590 LYS CE . 25720 1
672 . 1 1 51 51 LYS N N 15 120.289 0.03 . . . . . A 590 LYS N . 25720 1
673 . 1 1 52 52 SER H H 1 7.835 0.001 . . . . . A 591 SER H . 25720 1
674 . 1 1 52 52 SER HA H 1 4.347 0.001 . . . . . A 591 SER HA . 25720 1
675 . 1 1 52 52 SER HB2 H 1 4.067 0.001 . . . . . A 591 SER HB2 . 25720 1
676 . 1 1 52 52 SER HB3 H 1 4.067 0.001 . . . . . A 591 SER HB3 . 25720 1
677 . 1 1 52 52 SER C C 13 175.194 0.01 . . . . . A 591 SER C . 25720 1
678 . 1 1 52 52 SER CA C 13 60.409 0.01 . . . . . A 591 SER CA . 25720 1
679 . 1 1 52 52 SER CB C 13 63.530 0.01 . . . . . A 591 SER CB . 25720 1
680 . 1 1 52 52 SER N N 15 113.484 0.03 . . . . . A 591 SER N . 25720 1
681 . 1 1 53 53 GLN H H 1 7.756 0.001 . . . . . A 592 GLN H . 25720 1
682 . 1 1 53 53 GLN HA H 1 4.290 0.001 . . . . . A 592 GLN HA . 25720 1
683 . 1 1 53 53 GLN HB2 H 1 2.012 0.001 . . . . . A 592 GLN HB2 . 25720 1
684 . 1 1 53 53 GLN HB3 H 1 1.876 0.001 . . . . . A 592 GLN HB3 . 25720 1
685 . 1 1 53 53 GLN HG2 H 1 2.442 0.001 . . . . . A 592 GLN HG2 . 25720 1
686 . 1 1 53 53 GLN HG3 H 1 2.327 0.001 . . . . . A 592 GLN HG3 . 25720 1
687 . 1 1 53 53 GLN HE21 H 1 6.880 0.001 . . . . . A 592 GLN HE21 . 25720 1
688 . 1 1 53 53 GLN HE22 H 1 7.347 0.001 . . . . . A 592 GLN HE22 . 25720 1
689 . 1 1 53 53 GLN C C 13 175.732 0.01 . . . . . A 592 GLN C . 25720 1
690 . 1 1 53 53 GLN CA C 13 56.265 0.01 . . . . . A 592 GLN CA . 25720 1
691 . 1 1 53 53 GLN CB C 13 29.763 0.01 . . . . . A 592 GLN CB . 25720 1
692 . 1 1 53 53 GLN CG C 13 34.096 0.01 . . . . . A 592 GLN CG . 25720 1
693 . 1 1 53 53 GLN CD C 13 180.355 0.01 . . . . . A 592 GLN CD . 25720 1
694 . 1 1 53 53 GLN N N 15 119.076 0.03 . . . . . A 592 GLN N . 25720 1
695 . 1 1 53 53 GLN NE2 N 15 112.079 0.03 . . . . . A 592 GLN NE2 . 25720 1
696 . 1 1 54 54 HIS H H 1 7.999 0.001 . . . . . A 593 HIS H . 25720 1
697 . 1 1 54 54 HIS HA H 1 4.669 0.001 . . . . . A 593 HIS HA . 25720 1
698 . 1 1 54 54 HIS HB2 H 1 3.228 0.001 . . . . . A 593 HIS HB2 . 25720 1
699 . 1 1 54 54 HIS HB3 H 1 2.841 0.001 . . . . . A 593 HIS HB3 . 25720 1
700 . 1 1 54 54 HIS HD2 H 1 6.987 0.001 . . . . . A 593 HIS HD2 . 25720 1
701 . 1 1 54 54 HIS HE1 H 1 8.342 0.001 . . . . . A 593 HIS HE1 . 25720 1
702 . 1 1 54 54 HIS C C 13 174.357 0.01 . . . . . A 593 HIS C . 25720 1
703 . 1 1 54 54 HIS CA C 13 55.734 0.01 . . . . . A 593 HIS CA . 25720 1
704 . 1 1 54 54 HIS CB C 13 28.771 0.01 . . . . . A 593 HIS CB . 25720 1
705 . 1 1 54 54 HIS CD2 C 13 120.274 0.01 . . . . . A 593 HIS CD2 . 25720 1
706 . 1 1 54 54 HIS CE1 C 13 136.542 0.01 . . . . . A 593 HIS CE1 . 25720 1
707 . 1 1 54 54 HIS N N 15 117.993 0.03 . . . . . A 593 HIS N . 25720 1
708 . 1 1 55 55 LEU H H 1 8.115 0.001 . . . . . A 594 LEU H . 25720 1
709 . 1 1 55 55 LEU HA H 1 4.415 0.001 . . . . . A 594 LEU HA . 25720 1
710 . 1 1 55 55 LEU HB2 H 1 1.671 0.001 . . . . . A 594 LEU HB2 . 25720 1
711 . 1 1 55 55 LEU HB3 H 1 1.671 0.001 . . . . . A 594 LEU HB3 . 25720 1
712 . 1 1 55 55 LEU HG H 1 1.653 0.001 . . . . . A 594 LEU HG . 25720 1
713 . 1 1 55 55 LEU HD11 H 1 0.965 0.001 . . . . . A 594 LEU HD11 . 25720 1
714 . 1 1 55 55 LEU HD12 H 1 0.965 0.001 . . . . . A 594 LEU HD12 . 25720 1
715 . 1 1 55 55 LEU HD13 H 1 0.965 0.001 . . . . . A 594 LEU HD13 . 25720 1
716 . 1 1 55 55 LEU HD21 H 1 0.922 0.001 . . . . . A 594 LEU HD21 . 25720 1
717 . 1 1 55 55 LEU HD22 H 1 0.922 0.001 . . . . . A 594 LEU HD22 . 25720 1
718 . 1 1 55 55 LEU HD23 H 1 0.922 0.001 . . . . . A 594 LEU HD23 . 25720 1
719 . 1 1 55 55 LEU C C 13 177.458 0.01 . . . . . A 594 LEU C . 25720 1
720 . 1 1 55 55 LEU CA C 13 55.795 0.01 . . . . . A 594 LEU CA . 25720 1
721 . 1 1 55 55 LEU CB C 13 42.387 0.01 . . . . . A 594 LEU CB . 25720 1
722 . 1 1 55 55 LEU CG C 13 27.023 0.01 . . . . . A 594 LEU CG . 25720 1
723 . 1 1 55 55 LEU CD1 C 13 25.217 0.01 . . . . . A 594 LEU CD1 . 25720 1
724 . 1 1 55 55 LEU CD2 C 13 23.830 0.01 . . . . . A 594 LEU CD2 . 25720 1
725 . 1 1 55 55 LEU N N 15 122.399 0.03 . . . . . A 594 LEU N . 25720 1
726 . 1 1 56 56 SER H H 1 8.331 0.001 . . . . . A 595 SER H . 25720 1
727 . 1 1 56 56 SER HA H 1 4.565 0.001 . . . . . A 595 SER HA . 25720 1
728 . 1 1 56 56 SER HB2 H 1 3.951 0.001 . . . . . A 595 SER HB2 . 25720 1
729 . 1 1 56 56 SER HB3 H 1 3.951 0.001 . . . . . A 595 SER HB3 . 25720 1
730 . 1 1 56 56 SER C C 13 173.581 0.01 . . . . . A 595 SER C . 25720 1
731 . 1 1 56 56 SER CA C 13 58.302 0.01 . . . . . A 595 SER CA . 25720 1
732 . 1 1 56 56 SER CB C 13 64.076 0.01 . . . . . A 595 SER CB . 25720 1
733 . 1 1 56 56 SER N N 15 115.755 0.03 . . . . . A 595 SER N . 25720 1
734 . 1 1 57 57 GLU H H 1 7.987 0.001 . . . . . A 596 GLU H . 25720 1
735 . 1 1 57 57 GLU HA H 1 4.229 0.001 . . . . . A 596 GLU HA . 25720 1
736 . 1 1 57 57 GLU HB2 H 1 2.164 0.001 . . . . . A 596 GLU HB2 . 25720 1
737 . 1 1 57 57 GLU HB3 H 1 1.982 0.001 . . . . . A 596 GLU HB3 . 25720 1
738 . 1 1 57 57 GLU HG2 H 1 2.284 0.001 . . . . . A 596 GLU HG2 . 25720 1
739 . 1 1 57 57 GLU HG3 H 1 2.284 0.001 . . . . . A 596 GLU HG3 . 25720 1
740 . 1 1 57 57 GLU C C 13 181.107 0.01 . . . . . A 596 GLU C . 25720 1
741 . 1 1 57 57 GLU CA C 13 58.109 0.01 . . . . . A 596 GLU CA . 25720 1
742 . 1 1 57 57 GLU CB C 13 31.266 0.01 . . . . . A 596 GLU CB . 25720 1
743 . 1 1 57 57 GLU CG C 13 36.803 0.01 . . . . . A 596 GLU CG . 25720 1
744 . 1 1 57 57 GLU N N 15 127.512 0.03 . . . . . A 596 GLU N . 25720 1
stop_
save_