data_19317
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 19317
_Entry.Title
;
Solution structure of HRDC1 domain of RecQ helicase from Deinococcus radiodurans
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2013-06-24
_Entry.Accession_date 2013-06-24
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype 'SOLUTION NMR'
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Shanshan Liu . . . 19317
2 Wen Zhang . . . 19317
3 Zengqiang Gao . . . 19317
4 Qianqian Ming . . . 19317
5 Haifeng Hou . . . 19317
6 Wenxian Lan . . . 19317
7 Houming Wu . . . 19317
8 Chunyang Cao . . . 19317
9 Yuhui Dong . . . 19317
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' . 19317
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
'DNA binding domain' . 19317
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 19317
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 283 19317
'15N chemical shifts' 70 19317
'1H chemical shifts' 511 19317
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
2 . . 2013-10-09 2013-06-24 update BMRB 'update entry citation' 19317
1 . . 2013-07-08 2013-06-24 original author 'original release' 19317
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2MA1 'BMRB Entry Tracking System' 19317
stop_
save_
###############
# Citations #
###############
save_citations
_Citation.Sf_category citations
_Citation.Sf_framecode citations
_Citation.Entry_ID 19317
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 23831579
_Citation.Full_citation .
_Citation.Title 'NMR structure of the N-terminal-most HRDC1 domain of RecQ helicase from Deinococcus radiodurans.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'FEBS Lett.'
_Citation.Journal_name_full 'FEBS letters'
_Citation.Journal_volume 587
_Citation.Journal_issue 16
_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 2635
_Citation.Page_last 2642
_Citation.Year 2013
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Shanshan Liu . . . 19317 1
2 Wen Zhang . . . 19317 1
3 Zengqiang Gao . . . 19317 1
4 Qianqian Ming . . . 19317 1
5 Haifeng Hou . . . 19317 1
6 Wenxian Lan . . . 19317 1
7 Houming Wu . . . 19317 1
8 Chunyang Cao . . . 19317 1
9 Yuhui Dong . . . 19317 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 19317
_Assembly.ID 1
_Assembly.Name 'DNA helicase RecQ'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 'DNA helicase RecQ' 1 $DNA_helicase_RecQ A . yes native no no . . . 19317 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_DNA_helicase_RecQ
_Entity.Sf_category entity
_Entity.Sf_framecode DNA_helicase_RecQ
_Entity.Entry_ID 19317
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name DNA_helicase_RecQ
_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
;
HDAPLFEALRAWRLQKAKEL
SLPPYTIFHDATLKTIAELR
PGSHATLGTVSGVGGRKLAA
YGDEVLQVVRDSSGG
;
_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 75
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 8054.224
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-25
loop_
_Entity_db_link.Ordinal
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_ID
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
1 no BMRB 18124 . D._radiodurans_RecQ . . . . . 100.00 75 100.00 100.00 1.61e-45 . . . . 19317 1
2 no PDB 2MA1 . "Solution Structure Of Hrdc1 Domain Of Recq Helicase From Deinococcus Radiodurans" . . . . . 100.00 75 100.00 100.00 1.61e-45 . . . . 19317 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 536 HIS . 19317 1
2 537 ASP . 19317 1
3 538 ALA . 19317 1
4 539 PRO . 19317 1
5 540 LEU . 19317 1
6 541 PHE . 19317 1
7 542 GLU . 19317 1
8 543 ALA . 19317 1
9 544 LEU . 19317 1
10 545 ARG . 19317 1
11 546 ALA . 19317 1
12 547 TRP . 19317 1
13 548 ARG . 19317 1
14 549 LEU . 19317 1
15 550 GLN . 19317 1
16 551 LYS . 19317 1
17 552 ALA . 19317 1
18 553 LYS . 19317 1
19 554 GLU . 19317 1
20 555 LEU . 19317 1
21 556 SER . 19317 1
22 557 LEU . 19317 1
23 558 PRO . 19317 1
24 559 PRO . 19317 1
25 560 TYR . 19317 1
26 561 THR . 19317 1
27 562 ILE . 19317 1
28 563 PHE . 19317 1
29 564 HIS . 19317 1
30 565 ASP . 19317 1
31 566 ALA . 19317 1
32 567 THR . 19317 1
33 568 LEU . 19317 1
34 569 LYS . 19317 1
35 570 THR . 19317 1
36 571 ILE . 19317 1
37 572 ALA . 19317 1
38 573 GLU . 19317 1
39 574 LEU . 19317 1
40 575 ARG . 19317 1
41 576 PRO . 19317 1
42 577 GLY . 19317 1
43 578 SER . 19317 1
44 579 HIS . 19317 1
45 580 ALA . 19317 1
46 581 THR . 19317 1
47 582 LEU . 19317 1
48 583 GLY . 19317 1
49 584 THR . 19317 1
50 585 VAL . 19317 1
51 586 SER . 19317 1
52 587 GLY . 19317 1
53 588 VAL . 19317 1
54 589 GLY . 19317 1
55 590 GLY . 19317 1
56 591 ARG . 19317 1
57 592 LYS . 19317 1
58 593 LEU . 19317 1
59 594 ALA . 19317 1
60 595 ALA . 19317 1
61 596 TYR . 19317 1
62 597 GLY . 19317 1
63 598 ASP . 19317 1
64 599 GLU . 19317 1
65 600 VAL . 19317 1
66 601 LEU . 19317 1
67 602 GLN . 19317 1
68 603 VAL . 19317 1
69 604 VAL . 19317 1
70 605 ARG . 19317 1
71 606 ASP . 19317 1
72 607 SER . 19317 1
73 608 SER . 19317 1
74 609 GLY . 19317 1
75 610 GLY . 19317 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
. HIS 1 1 19317 1
. ASP 2 2 19317 1
. ALA 3 3 19317 1
. PRO 4 4 19317 1
. LEU 5 5 19317 1
. PHE 6 6 19317 1
. GLU 7 7 19317 1
. ALA 8 8 19317 1
. LEU 9 9 19317 1
. ARG 10 10 19317 1
. ALA 11 11 19317 1
. TRP 12 12 19317 1
. ARG 13 13 19317 1
. LEU 14 14 19317 1
. GLN 15 15 19317 1
. LYS 16 16 19317 1
. ALA 17 17 19317 1
. LYS 18 18 19317 1
. GLU 19 19 19317 1
. LEU 20 20 19317 1
. SER 21 21 19317 1
. LEU 22 22 19317 1
. PRO 23 23 19317 1
. PRO 24 24 19317 1
. TYR 25 25 19317 1
. THR 26 26 19317 1
. ILE 27 27 19317 1
. PHE 28 28 19317 1
. HIS 29 29 19317 1
. ASP 30 30 19317 1
. ALA 31 31 19317 1
. THR 32 32 19317 1
. LEU 33 33 19317 1
. LYS 34 34 19317 1
. THR 35 35 19317 1
. ILE 36 36 19317 1
. ALA 37 37 19317 1
. GLU 38 38 19317 1
. LEU 39 39 19317 1
. ARG 40 40 19317 1
. PRO 41 41 19317 1
. GLY 42 42 19317 1
. SER 43 43 19317 1
. HIS 44 44 19317 1
. ALA 45 45 19317 1
. THR 46 46 19317 1
. LEU 47 47 19317 1
. GLY 48 48 19317 1
. THR 49 49 19317 1
. VAL 50 50 19317 1
. SER 51 51 19317 1
. GLY 52 52 19317 1
. VAL 53 53 19317 1
. GLY 54 54 19317 1
. GLY 55 55 19317 1
. ARG 56 56 19317 1
. LYS 57 57 19317 1
. LEU 58 58 19317 1
. ALA 59 59 19317 1
. ALA 60 60 19317 1
. TYR 61 61 19317 1
. GLY 62 62 19317 1
. ASP 63 63 19317 1
. GLU 64 64 19317 1
. VAL 65 65 19317 1
. LEU 66 66 19317 1
. GLN 67 67 19317 1
. VAL 68 68 19317 1
. VAL 69 69 19317 1
. ARG 70 70 19317 1
. ASP 71 71 19317 1
. SER 72 72 19317 1
. SER 73 73 19317 1
. GLY 74 74 19317 1
. GLY 75 75 19317 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 19317
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $DNA_helicase_RecQ . 1299 organism . 'Deinococcus radiodurans' 'Deinococcus radiodurans' . . Bacteria . Deinococcus radiodurans . . . . . . . . . . . . . . . . DrRecQ . . . . 19317 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 19317
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $DNA_helicase_RecQ . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET28a . . . . . . 19317 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample
_Sample.Sf_category sample
_Sample.Sf_framecode sample
_Sample.Entry_ID 19317
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details '50mM phosphate buffer; 90% H2O, 10% D2O'
_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 HRDC1 '[U-98% 13C; U-98% 15N]' . . 1 $DNA_helicase_RecQ . . 2 . . mM . . . . 19317 1
2 'phosphate buffer' 'natural abundance' . . . . . . 50 . . mM . . . . 19317 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 19317
_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' 50 . mM 19317 1
pH 7.0 . pH 19317 1
pressure 1 . atm 19317 1
temperature 293 . K 19317 1
stop_
save_
############################
# Computer software used #
############################
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 19317
_Software.ID 1
_Software.Name CNS
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger A. T. et.al.' . . 19317 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 19317 1
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 19317
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_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 19317
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian INOVA . 600 . 1 $citations 19317 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 19317
_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 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19317 1
2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19317 1
3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19317 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 19317
_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 . . . . . . . . . 19317 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19317 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19317 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 19317
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D 1H-15N NOESY' . . . 19317 1
2 '3D 1H-13C NOESY aliphatic' . . . 19317 1
3 '3D 1H-13C NOESY aromatic' . . . 19317 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 HIS HA H 1 4.133 . . 1 . . . A 536 HIS HA . 19317 1
2 . 1 1 1 1 HIS HB2 H 1 2.852 . . . . . . A 536 HIS HB2 . 19317 1
3 . 1 1 1 1 HIS HB3 H 1 3.101 . . 2 . . . A 536 HIS HB3 . 19317 1
4 . 1 1 1 1 HIS HD2 H 1 6.843 . . 1 . . . A 536 HIS HD2 . 19317 1
5 . 1 1 1 1 HIS C C 13 177.493 . . . . . . A 536 HIS C . 19317 1
6 . 1 1 1 1 HIS CA C 13 54.947 . . 1 . . . A 536 HIS CA . 19317 1
7 . 1 1 1 1 HIS CB C 13 31.549 . . 1 . . . A 536 HIS CB . 19317 1
8 . 1 1 1 1 HIS CD2 C 13 118.655 . . 1 . . . A 536 HIS CD2 . 19317 1
9 . 1 1 2 2 ASP H H 1 8.873 . . 1 . . . A 537 ASP HN . 19317 1
10 . 1 1 2 2 ASP HA H 1 4.382 . . 1 . . . A 537 ASP HA . 19317 1
11 . 1 1 2 2 ASP HB2 H 1 2.599 . . . . . . A 537 ASP HB2 . 19317 1
12 . 1 1 2 2 ASP HB3 H 1 2.321 . . 2 . . . A 537 ASP HB3 . 19317 1
13 . 1 1 2 2 ASP C C 13 176.166 . . . . . . A 537 ASP C . 19317 1
14 . 1 1 2 2 ASP CA C 13 53.771 . . 1 . . . A 537 ASP CA . 19317 1
15 . 1 1 2 2 ASP CB C 13 40.956 . . 1 . . . A 537 ASP CB . 19317 1
16 . 1 1 2 2 ASP N N 15 121.532 . . 1 . . . A 537 ASP N . 19317 1
17 . 1 1 3 3 ALA H H 1 7.941 . . 1 . . . A 538 ALA HN . 19317 1
18 . 1 1 3 3 ALA HA H 1 4.485 . . 1 . . . A 538 ALA HA . 19317 1
19 . 1 1 3 3 ALA HB1 H 1 1.500 . . 1 . . . A 538 ALA HB1 . 19317 1
20 . 1 1 3 3 ALA HB2 H 1 1.500 . . 1 . . . A 538 ALA HB2 . 19317 1
21 . 1 1 3 3 ALA HB3 H 1 1.500 . . 1 . . . A 538 ALA HB3 . 19317 1
22 . 1 1 3 3 ALA CA C 13 54.380 . . 1 . . . A 538 ALA CA . 19317 1
23 . 1 1 3 3 ALA CB C 13 17.051 . . 1 . . . A 538 ALA CB . 19317 1
24 . 1 1 3 3 ALA N N 15 124.230 . . 1 . . . A 538 ALA N . 19317 1
25 . 1 1 4 4 PRO HA H 1 4.396 . . 1 . . . A 539 PRO HA . 19317 1
26 . 1 1 4 4 PRO HB2 H 1 2.382 . . 2 . . . A 539 PRO HB2 . 19317 1
27 . 1 1 4 4 PRO HB3 H 1 2.382 . . 2 . . . A 539 PRO HB . 19317 1
28 . 1 1 4 4 PRO HG2 H 1 2.080 . . 2 . . . A 539 PRO HG2 . 19317 1
29 . 1 1 4 4 PRO HG3 H 1 2.080 . . 2 . . . A 539 PRO HG . 19317 1
30 . 1 1 4 4 PRO HD2 H 1 3.731 . . 2 . . . A 539 PRO HD2 . 19317 1
31 . 1 1 4 4 PRO HD3 H 1 3.731 . . 2 . . . A 539 PRO HD . 19317 1
32 . 1 1 4 4 PRO C C 13 179.726 . . . . . . A 539 PRO C . 19317 1
33 . 1 1 4 4 PRO CA C 13 65.343 . . 1 . . . A 539 PRO CA . 19317 1
34 . 1 1 4 4 PRO CB C 13 31.240 . . 1 . . . A 539 PRO CB . 19317 1
35 . 1 1 4 4 PRO CD C 13 50.208 . . 1 . . . A 539 PRO CD . 19317 1
36 . 1 1 5 5 LEU H H 1 7.923 . . 1 . . . A 540 LEU HN . 19317 1
37 . 1 1 5 5 LEU HA H 1 4.337 . . 1 . . . A 540 LEU HA . 19317 1
38 . 1 1 5 5 LEU HB2 H 1 1.915 . . . . . . A 540 LEU HB2 . 19317 1
39 . 1 1 5 5 LEU HB3 H 1 1.652 . . 2 . . . A 540 LEU HB3 . 19317 1
40 . 1 1 5 5 LEU HG H 1 1.178 . . 1 . . . A 540 LEU HG . 19317 1
41 . 1 1 5 5 LEU HD11 H 1 1.031 . . . . . . A 540 LEU HD11 . 19317 1
42 . 1 1 5 5 LEU HD12 H 1 1.031 . . . . . . A 540 LEU HD12 . 19317 1
43 . 1 1 5 5 LEU HD13 H 1 1.031 . . . . . . A 540 LEU HD13 . 19317 1
44 . 1 1 5 5 LEU HD21 H 1 1.031 . . . . . . A 540 LEU HD21 . 19317 1
45 . 1 1 5 5 LEU HD22 H 1 1.031 . . . . . . A 540 LEU HD22 . 19317 1
46 . 1 1 5 5 LEU HD23 H 1 1.031 . . . . . . A 540 LEU HD23 . 19317 1
47 . 1 1 5 5 LEU C C 13 177.936 . . . . . . A 540 LEU C . 19317 1
48 . 1 1 5 5 LEU CA C 13 57.621 . . 1 . . . A 540 LEU CA . 19317 1
49 . 1 1 5 5 LEU CB C 13 40.494 . . 1 . . . A 540 LEU CB . 19317 1
50 . 1 1 5 5 LEU CD1 C 13 24.149 . . . . . . A 540 LEU CD1 . 19317 1
51 . 1 1 5 5 LEU CD2 C 13 24.149 . . . . . . A 540 LEU CD2 . 19317 1
52 . 1 1 5 5 LEU N N 15 120.634 . . 1 . . . A 540 LEU N . 19317 1
53 . 1 1 6 6 PHE H H 1 8.595 . . 1 . . . A 541 PHE HN . 19317 1
54 . 1 1 6 6 PHE HA H 1 4.186 . . 1 . . . A 541 PHE HA . 19317 1
55 . 1 1 6 6 PHE HB2 H 1 3.254 . . . . . . A 541 PHE HB2 . 19317 1
56 . 1 1 6 6 PHE HB3 H 1 3.101 . . 2 . . . A 541 PHE HB3 . 19317 1
57 . 1 1 6 6 PHE HD1 H 1 7.055 . . . . . . A 541 PHE HD1 . 19317 1
58 . 1 1 6 6 PHE HD2 H 1 7.055 . . . . . . A 541 PHE HD2 . 19317 1
59 . 1 1 6 6 PHE HE1 H 1 6.772 . . . . . . A 541 PHE HE1 . 19317 1
60 . 1 1 6 6 PHE HE2 H 1 6.772 . . . . . . A 541 PHE HE2 . 19317 1
61 . 1 1 6 6 PHE HZ H 1 6.431 . . 1 . . . A 541 PHE HZ . 19317 1
62 . 1 1 6 6 PHE C C 13 177.369 . . . . . . A 541 PHE C . 19317 1
63 . 1 1 6 6 PHE CA C 13 61.402 . . 1 . . . A 541 PHE CA . 19317 1
64 . 1 1 6 6 PHE CB C 13 38.697 . . 1 . . . A 541 PHE CB . 19317 1
65 . 1 1 6 6 PHE CD1 C 13 131.520 . . . . . . A 541 PHE CD1 . 19317 1
66 . 1 1 6 6 PHE CD2 C 13 131.520 . . . . . . A 541 PHE CD2 . 19317 1
67 . 1 1 6 6 PHE CE1 C 13 132.621 . . . . . . A 541 PHE CE1 . 19317 1
68 . 1 1 6 6 PHE N N 15 120.847 . . 1 . . . A 541 PHE N . 19317 1
69 . 1 1 7 7 GLU H H 1 8.411 . . 1 . . . A 542 GLU HN . 19317 1
70 . 1 1 7 7 GLU HA H 1 3.931 . . 1 . . . A 542 GLU HA . 19317 1
71 . 1 1 7 7 GLU HB2 H 1 2.049 . . 2 . . . A 542 GLU HB2 . 19317 1
72 . 1 1 7 7 GLU HB3 H 1 2.049 . . 2 . . . A 542 GLU HB . 19317 1
73 . 1 1 7 7 GLU HG2 H 1 2.413 . . 2 . . . A 542 GLU HG2 . 19317 1
74 . 1 1 7 7 GLU HG3 H 1 2.413 . . 2 . . . A 542 GLU HG . 19317 1
75 . 1 1 7 7 GLU C C 13 179.561 . . . . . . A 542 GLU C . 19317 1
76 . 1 1 7 7 GLU CA C 13 58.832 . . 1 . . . A 542 GLU CA . 19317 1
77 . 1 1 7 7 GLU CB C 13 28.546 . . 1 . . . A 542 GLU CB . 19317 1
78 . 1 1 7 7 GLU CG C 13 35.477 . . 1 . . . A 542 GLU CG . 19317 1
79 . 1 1 7 7 GLU N N 15 117.121 . . 1 . . . A 542 GLU N . 19317 1
80 . 1 1 8 8 ALA H H 1 8.270 . . 1 . . . A 543 ALA HN . 19317 1
81 . 1 1 8 8 ALA HA H 1 4.278 . . 1 . . . A 543 ALA HA . 19317 1
82 . 1 1 8 8 ALA HB1 H 1 1.522 . . 1 . . . A 543 ALA HB1 . 19317 1
83 . 1 1 8 8 ALA HB2 H 1 1.522 . . 1 . . . A 543 ALA HB2 . 19317 1
84 . 1 1 8 8 ALA HB3 H 1 1.522 . . 1 . . . A 543 ALA HB3 . 19317 1
85 . 1 1 8 8 ALA C C 13 181.975 . . . . . . A 543 ALA C . 19317 1
86 . 1 1 8 8 ALA CA C 13 55.156 . . 1 . . . A 543 ALA CA . 19317 1
87 . 1 1 8 8 ALA CB C 13 18.195 . . 1 . . . A 543 ALA CB . 19317 1
88 . 1 1 8 8 ALA N N 15 124.498 . . 1 . . . A 543 ALA N . 19317 1
89 . 1 1 9 9 LEU H H 1 8.712 . . 1 . . . A 544 LEU HN . 19317 1
90 . 1 1 9 9 LEU HA H 1 4.320 . . 1 . . . A 544 LEU HA . 19317 1
91 . 1 1 9 9 LEU HB2 H 1 2.183 . . . . . . A 544 LEU HB2 . 19317 1
92 . 1 1 9 9 LEU HB3 H 1 1.479 . . 2 . . . A 544 LEU HB3 . 19317 1
93 . 1 1 9 9 LEU HG H 1 1.767 . . 1 . . . A 544 LEU HG . 19317 1
94 . 1 1 9 9 LEU HD11 H 1 0.805 . . 2 . . . A 544 LEU HD11 . 19317 1
95 . 1 1 9 9 LEU HD12 H 1 0.805 . . 2 . . . A 544 LEU HD12 . 19317 1
96 . 1 1 9 9 LEU HD13 H 1 0.805 . . 2 . . . A 544 LEU HD13 . 19317 1
97 . 1 1 9 9 LEU HD21 H 1 0.683 . . 2 . . . A 544 LEU HD21 . 19317 1
98 . 1 1 9 9 LEU HD22 H 1 0.683 . . 2 . . . A 544 LEU HD22 . 19317 1
99 . 1 1 9 9 LEU HD23 H 1 0.683 . . 2 . . . A 544 LEU HD23 . 19317 1
100 . 1 1 9 9 LEU C C 13 178.862 . . . . . . A 544 LEU C . 19317 1
101 . 1 1 9 9 LEU CA C 13 57.823 . . 1 . . . A 544 LEU CA . 19317 1
102 . 1 1 9 9 LEU CB C 13 42.265 . . 1 . . . A 544 LEU CB . 19317 1
103 . 1 1 9 9 LEU CD1 C 13 22.947 . . . . . . A 544 LEU CD1 . 19317 1
104 . 1 1 9 9 LEU CD2 C 13 22.947 . . . . . . A 544 LEU CD2 . 19317 1
105 . 1 1 9 9 LEU N N 15 121.753 . . 1 . . . A 544 LEU N . 19317 1
106 . 1 1 10 10 ARG H H 1 8.532 . . 1 . . . A 545 ARG HN . 19317 1
107 . 1 1 10 10 ARG HA H 1 3.655 . . 1 . . . A 545 ARG HA . 19317 1
108 . 1 1 10 10 ARG HB2 H 1 1.711 . . 2 . . . A 545 ARG HB2 . 19317 1
109 . 1 1 10 10 ARG HB3 H 1 1.711 . . 2 . . . A 545 ARG HB . 19317 1
110 . 1 1 10 10 ARG HG2 H 1 1.281 . . . . . . A 545 ARG HG2 . 19317 1
111 . 1 1 10 10 ARG HG3 H 1 1.102 . . 2 . . . A 545 ARG HG3 . 19317 1
112 . 1 1 10 10 ARG HD2 H 1 2.870 . . . . . . A 545 ARG HD2 . 19317 1
113 . 1 1 10 10 ARG HD3 H 1 2.809 . . 2 . . . A 545 ARG HD3 . 19317 1
114 . 1 1 10 10 ARG C C 13 179.358 . . . . . . A 545 ARG C . 19317 1
115 . 1 1 10 10 ARG CA C 13 60.665 . . 1 . . . A 545 ARG CA . 19317 1
116 . 1 1 10 10 ARG CB C 13 30.073 . . 1 . . . A 545 ARG CB . 19317 1
117 . 1 1 10 10 ARG CG C 13 27.501 . . 1 . . . A 545 ARG CG . 19317 1
118 . 1 1 10 10 ARG CD C 13 43.806 . . 1 . . . A 545 ARG CD . 19317 1
119 . 1 1 10 10 ARG N N 15 121.300 . . 1 . . . A 545 ARG N . 19317 1
120 . 1 1 11 11 ALA H H 1 8.359 . . 1 . . . A 546 ALA HN . 19317 1
121 . 1 1 11 11 ALA HA H 1 4.179 . . 1 . . . A 546 ALA HA . 19317 1
122 . 1 1 11 11 ALA HB1 H 1 1.540 . . 1 . . . A 546 ALA HB1 . 19317 1
123 . 1 1 11 11 ALA HB2 H 1 1.540 . . 1 . . . A 546 ALA HB2 . 19317 1
124 . 1 1 11 11 ALA HB3 H 1 1.540 . . 1 . . . A 546 ALA HB3 . 19317 1
125 . 1 1 11 11 ALA C C 13 180.514 . . . . . . A 546 ALA C . 19317 1
126 . 1 1 11 11 ALA CA C 13 55.404 . . 1 . . . A 546 ALA CA . 19317 1
127 . 1 1 11 11 ALA CB C 13 17.857 . . 1 . . . A 546 ALA CB . 19317 1
128 . 1 1 11 11 ALA N N 15 124.043 . . 1 . . . A 546 ALA N . 19317 1
129 . 1 1 12 12 TRP H H 1 8.337 . . 1 . . . A 547 TRP HN . 19317 1
130 . 1 1 12 12 TRP HA H 1 4.134 . . 1 . . . A 547 TRP HA . 19317 1
131 . 1 1 12 12 TRP HB2 H 1 3.409 . . . . . . A 547 TRP HB2 . 19317 1
132 . 1 1 12 12 TRP HB3 H 1 3.623 . . 2 . . . A 547 TRP HB3 . 19317 1
133 . 1 1 12 12 TRP HD1 H 1 7.263 . . 1 . . . A 547 TRP HD1 . 19317 1
134 . 1 1 12 12 TRP HE1 H 1 8.421 . . 1 . . . A 547 TRP HE1 . 19317 1
135 . 1 1 12 12 TRP C C 13 176.957 . . . . . . A 547 TRP C . 19317 1
136 . 1 1 12 12 TRP CA C 13 61.679 . . 1 . . . A 547 TRP CA . 19317 1
137 . 1 1 12 12 TRP CB C 13 27.947 . . 1 . . . A 547 TRP CB . 19317 1
138 . 1 1 12 12 TRP CD1 C 13 127.332 . . . . . . A 547 TRP CD1 . 19317 1
139 . 1 1 12 12 TRP N N 15 121.943 . . 1 . . . A 547 TRP N . 19317 1
140 . 1 1 13 13 ARG H H 1 8.698 . . 1 . . . A 548 ARG HN . 19317 1
141 . 1 1 13 13 ARG HA H 1 2.684 . . 1 . . . A 548 ARG HA . 19317 1
142 . 1 1 13 13 ARG HB2 H 1 2.131 . . . . . . A 548 ARG HB2 . 19317 1
143 . 1 1 13 13 ARG HB3 H 1 1.815 . . 2 . . . A 548 ARG HB3 . 19317 1
144 . 1 1 13 13 ARG HG2 H 1 1.506 . . . . . . A 548 ARG HG2 . 19317 1
145 . 1 1 13 13 ARG HG3 H 1 1.387 . . 2 . . . A 548 ARG HG3 . 19317 1
146 . 1 1 13 13 ARG HD2 H 1 3.945 . . . . . . A 548 ARG HD2 . 19317 1
147 . 1 1 13 13 ARG HD3 H 1 2.900 . . 2 . . . A 548 ARG HD3 . 19317 1
148 . 1 1 13 13 ARG HE H 1 6.670 . . 1 . . . A 548 ARG HE . 19317 1
149 . 1 1 13 13 ARG HH11 H 1 6.717 . . . . . . A 548 ARG HH11 . 19317 1
150 . 1 1 13 13 ARG HH21 H 1 6.715 . . . . . . A 548 ARG HH21 . 19317 1
151 . 1 1 13 13 ARG C C 13 176.643 . . . . . . A 548 ARG C . 19317 1
152 . 1 1 13 13 ARG CA C 13 59.057 . . 1 . . . A 548 ARG CA . 19317 1
153 . 1 1 13 13 ARG CB C 13 29.977 . . 1 . . . A 548 ARG CB . 19317 1
154 . 1 1 13 13 ARG CD C 13 43.586 . . 1 . . . A 548 ARG CD . 19317 1
155 . 1 1 13 13 ARG N N 15 120.252 . . 1 . . . A 548 ARG N . 19317 1
156 . 1 1 14 14 LEU H H 1 7.726 . . 1 . . . A 549 LEU HN . 19317 1
157 . 1 1 14 14 LEU HA H 1 3.827 . . 1 . . . A 549 LEU HA . 19317 1
158 . 1 1 14 14 LEU HB2 H 1 1.747 . . 2 . . . A 549 LEU HB2 . 19317 1
159 . 1 1 14 14 LEU HB3 H 1 1.747 . . 2 . . . A 549 LEU HB . 19317 1
160 . 1 1 14 14 LEU HG H 1 1.678 . . 1 . . . A 549 LEU HG . 19317 1
161 . 1 1 14 14 LEU HD11 H 1 0.902 . . . . . . A 549 LEU HD11 . 19317 1
162 . 1 1 14 14 LEU HD12 H 1 0.902 . . . . . . A 549 LEU HD12 . 19317 1
163 . 1 1 14 14 LEU HD13 H 1 0.902 . . . . . . A 549 LEU HD13 . 19317 1
164 . 1 1 14 14 LEU HD21 H 1 0.902 . . . . . . A 549 LEU HD21 . 19317 1
165 . 1 1 14 14 LEU HD22 H 1 0.902 . . . . . . A 549 LEU HD22 . 19317 1
166 . 1 1 14 14 LEU HD23 H 1 0.902 . . . . . . A 549 LEU HD23 . 19317 1
167 . 1 1 14 14 LEU C C 13 178.737 . . . . . . A 549 LEU C . 19317 1
168 . 1 1 14 14 LEU CA C 13 57.968 . . 1 . . . A 549 LEU CA . 19317 1
169 . 1 1 14 14 LEU CB C 13 41.944 . . 1 . . . A 549 LEU CB . 19317 1
170 . 1 1 14 14 LEU CD1 C 13 24.275 . . . . . . A 549 LEU CD1 . 19317 1
171 . 1 1 14 14 LEU CD2 C 13 24.275 . . . . . . A 549 LEU CD2 . 19317 1
172 . 1 1 14 14 LEU N N 15 119.884 . . 1 . . . A 549 LEU N . 19317 1
173 . 1 1 15 15 GLN H H 1 7.438 . . 1 . . . A 550 GLN HN . 19317 1
174 . 1 1 15 15 GLN HA H 1 3.921 . . 1 . . . A 550 GLN HA . 19317 1
175 . 1 1 15 15 GLN HB2 H 1 2.096 . . 2 . . . A 550 GLN HB2 . 19317 1
176 . 1 1 15 15 GLN HB3 H 1 2.096 . . 2 . . . A 550 GLN HB . 19317 1
177 . 1 1 15 15 GLN HG2 H 1 2.366 . . 2 . . . A 550 GLN HG2 . 19317 1
178 . 1 1 15 15 GLN HG3 H 1 2.366 . . 2 . . . A 550 GLN HG . 19317 1
179 . 1 1 15 15 GLN HE21 H 1 7.667 . . 2 . . . A 550 GLN HE21 . 19317 1
180 . 1 1 15 15 GLN HE22 H 1 6.930 . . 2 . . . A 550 GLN HE22 . 19317 1
181 . 1 1 15 15 GLN C C 13 178.399 . . . . . . A 550 GLN C . 19317 1
182 . 1 1 15 15 GLN CA C 13 58.360 . . 1 . . . A 550 GLN CA . 19317 1
183 . 1 1 15 15 GLN CB C 13 27.603 . . 1 . . . A 550 GLN CB . 19317 1
184 . 1 1 15 15 GLN CG C 13 32.939 . . 1 . . . A 550 GLN CG . 19317 1
185 . 1 1 15 15 GLN N N 15 118.697 . . 1 . . . A 550 GLN N . 19317 1
186 . 1 1 15 15 GLN NE2 N 15 112.462 . . 1 . . . A 550 GLN NE2 . 19317 1
187 . 1 1 16 16 LYS H H 1 8.207 . . 1 . . . A 551 LYS HN . 19317 1
188 . 1 1 16 16 LYS HA H 1 3.846 . . 1 . . . A 551 LYS HA . 19317 1
189 . 1 1 16 16 LYS HB2 H 1 0.676 . . . . . . A 551 LYS HB2 . 19317 1
190 . 1 1 16 16 LYS HB3 H 1 0.984 . . 2 . . . A 551 LYS HB3 . 19317 1
191 . 1 1 16 16 LYS HG2 H 1 0.668 . . . . . . A 551 LYS HG2 . 19317 1
192 . 1 1 16 16 LYS HG3 H 1 0.958 . . 2 . . . A 551 LYS HG3 . 19317 1
193 . 1 1 16 16 LYS HD2 H 1 0.995 . . . . . . A 551 LYS HD2 . 19317 1
194 . 1 1 16 16 LYS HD3 H 1 0.676 . . 2 . . . A 551 LYS HD3 . 19317 1
195 . 1 1 16 16 LYS HE2 H 1 2.999 . . 2 . . . A 551 LYS HE2 . 19317 1
196 . 1 1 16 16 LYS HE3 H 1 2.999 . . 2 . . . A 551 LYS HE . 19317 1
197 . 1 1 16 16 LYS C C 13 177.667 . . . . . . A 551 LYS C . 19317 1
198 . 1 1 16 16 LYS CA C 13 56.470 . . 1 . . . A 551 LYS CA . 19317 1
199 . 1 1 16 16 LYS CB C 13 29.687 . . 1 . . . A 551 LYS CB . 19317 1
200 . 1 1 16 16 LYS CG C 13 29.634 . . 1 . . . A 551 LYS CG . 19317 1
201 . 1 1 16 16 LYS CE C 13 41.910 . . 1 . . . A 551 LYS CE . 19317 1
202 . 1 1 16 16 LYS N N 15 122.490 . . 1 . . . A 551 LYS N . 19317 1
203 . 1 1 17 17 ALA H H 1 8.325 . . 1 . . . A 552 ALA HN . 19317 1
204 . 1 1 17 17 ALA HA H 1 3.702 . . 1 . . . A 552 ALA HA . 19317 1
205 . 1 1 17 17 ALA HB1 H 1 1.441 . . 1 . . . A 552 ALA HB1 . 19317 1
206 . 1 1 17 17 ALA HB2 H 1 1.441 . . 1 . . . A 552 ALA HB2 . 19317 1
207 . 1 1 17 17 ALA HB3 H 1 1.441 . . 1 . . . A 552 ALA HB3 . 19317 1
208 . 1 1 17 17 ALA C C 13 179.949 . . . . . . A 552 ALA C . 19317 1
209 . 1 1 17 17 ALA CA C 13 55.493 . . 1 . . . A 552 ALA CA . 19317 1
210 . 1 1 17 17 ALA CB C 13 17.846 . . 1 . . . A 552 ALA CB . 19317 1
211 . 1 1 17 17 ALA N N 15 121.373 . . 1 . . . A 552 ALA N . 19317 1
212 . 1 1 18 18 LYS H H 1 7.633 . . 1 . . . A 553 LYS HN . 19317 1
213 . 1 1 18 18 LYS HA H 1 4.045 . . 1 . . . A 553 LYS HA . 19317 1
214 . 1 1 18 18 LYS HB2 H 1 1.894 . . 2 . . . A 553 LYS HB2 . 19317 1
215 . 1 1 18 18 LYS HB3 H 1 1.894 . . 2 . . . A 553 LYS HB . 19317 1
216 . 1 1 18 18 LYS HG2 H 1 1.374 . . . . . . A 553 LYS HG2 . 19317 1
217 . 1 1 18 18 LYS HG3 H 1 1.544 . . 2 . . . A 553 LYS HG3 . 19317 1
218 . 1 1 18 18 LYS HD2 H 1 1.402 . . 2 . . . A 553 LYS HD2 . 19317 1
219 . 1 1 18 18 LYS HD3 H 1 1.402 . . 2 . . . A 553 LYS HD . 19317 1
220 . 1 1 18 18 LYS HE2 H 1 2.912 . . 2 . . . A 553 LYS HE2 . 19317 1
221 . 1 1 18 18 LYS HE3 H 1 2.912 . . 2 . . . A 553 LYS HE . 19317 1
222 . 1 1 18 18 LYS C C 13 180.012 . . . . . . A 553 LYS C . 19317 1
223 . 1 1 18 18 LYS CA C 13 58.925 . . 1 . . . A 553 LYS CA . 19317 1
224 . 1 1 18 18 LYS CB C 13 32.046 . . 1 . . . A 553 LYS CB . 19317 1
225 . 1 1 18 18 LYS CG C 13 25.062 . . 1 . . . A 553 LYS CG . 19317 1
226 . 1 1 18 18 LYS CD C 13 25.061 . . 1 . . . A 553 LYS CD . 19317 1
227 . 1 1 18 18 LYS CE C 13 41.891 . . 1 . . . A 553 LYS CE . 19317 1
228 . 1 1 18 18 LYS N N 15 117.317 . . 1 . . . A 553 LYS N . 19317 1
229 . 1 1 19 19 GLU H H 1 8.073 . . 1 . . . A 554 GLU HN . 19317 1
230 . 1 1 19 19 GLU HA H 1 3.938 . . 1 . . . A 554 GLU HA . 19317 1
231 . 1 1 19 19 GLU HB2 H 1 2.189 . . 2 . . . A 554 GLU HB2 . 19317 1
232 . 1 1 19 19 GLU HB3 H 1 2.189 . . 2 . . . A 554 GLU HB . 19317 1
233 . 1 1 19 19 GLU HG2 H 1 2.451 . . 2 . . . A 554 GLU HG2 . 19317 1
234 . 1 1 19 19 GLU HG3 H 1 2.451 . . 2 . . . A 554 GLU HG . 19317 1
235 . 1 1 19 19 GLU C C 13 178.905 . . . . . . A 554 GLU C . 19317 1
236 . 1 1 19 19 GLU CA C 13 59.264 . . 1 . . . A 554 GLU CA . 19317 1
237 . 1 1 19 19 GLU CB C 13 29.773 . . 1 . . . A 554 GLU CB . 19317 1
238 . 1 1 19 19 GLU CG C 13 36.001 . . 1 . . . A 554 GLU CG . 19317 1
239 . 1 1 19 19 GLU N N 15 118.028 . . 1 . . . A 554 GLU N . 19317 1
240 . 1 1 20 20 LEU H H 1 7.996 . . 1 . . . A 555 LEU HN . 19317 1
241 . 1 1 20 20 LEU HA H 1 4.330 . . 1 . . . A 555 LEU HA . 19317 1
242 . 1 1 20 20 LEU HB2 H 1 1.523 . . 2 . . . A 555 LEU HB2 . 19317 1
243 . 1 1 20 20 LEU HB3 H 1 1.523 . . 2 . . . A 555 LEU HB . 19317 1
244 . 1 1 20 20 LEU HG H 1 1.778 . . 1 . . . A 555 LEU HG . 19317 1
245 . 1 1 20 20 LEU HD11 H 1 0.903 . . . . . . A 555 LEU HD11 . 19317 1
246 . 1 1 20 20 LEU HD12 H 1 0.903 . . . . . . A 555 LEU HD12 . 19317 1
247 . 1 1 20 20 LEU HD13 H 1 0.903 . . . . . . A 555 LEU HD13 . 19317 1
248 . 1 1 20 20 LEU HD21 H 1 0.903 . . . . . . A 555 LEU HD21 . 19317 1
249 . 1 1 20 20 LEU HD22 H 1 0.903 . . . . . . A 555 LEU HD22 . 19317 1
250 . 1 1 20 20 LEU HD23 H 1 0.903 . . . . . . A 555 LEU HD23 . 19317 1
251 . 1 1 20 20 LEU C C 13 176.014 . . . . . . A 555 LEU C . 19317 1
252 . 1 1 20 20 LEU CA C 13 54.690 . . 1 . . . A 555 LEU CA . 19317 1
253 . 1 1 20 20 LEU CB C 13 42.556 . . 1 . . . A 555 LEU CB . 19317 1
254 . 1 1 20 20 LEU N N 15 115.956 . . 1 . . . A 555 LEU N . 19317 1
255 . 1 1 21 21 SER H H 1 7.802 . . 1 . . . A 556 SER HN . 19317 1
256 . 1 1 21 21 SER HB2 H 1 4.001 . . 2 . . . A 556 SER HB2 . 19317 1
257 . 1 1 21 21 SER HB3 H 1 4.001 . . 2 . . . A 556 SER HB . 19317 1
258 . 1 1 21 21 SER C C 13 173.701 . . . . . . A 556 SER C . 19317 1
259 . 1 1 21 21 SER CA C 13 58.593 . . 1 . . . A 556 SER CA . 19317 1
260 . 1 1 21 21 SER CB C 13 61.228 . . 1 . . . A 556 SER CB . 19317 1
261 . 1 1 21 21 SER N N 15 114.976 . . 1 . . . A 556 SER N . 19317 1
262 . 1 1 22 22 LEU H H 1 8.110 . . 1 . . . A 557 LEU HN . 19317 1
263 . 1 1 22 22 LEU HA H 1 4.818 . . 1 . . . A 557 LEU HA . 19317 1
264 . 1 1 22 22 LEU HB2 H 1 1.010 . . . . . . A 557 LEU HB2 . 19317 1
265 . 1 1 22 22 LEU HB3 H 1 1.233 . . 2 . . . A 557 LEU HB3 . 19317 1
266 . 1 1 22 22 LEU HG H 1 1.494 . . 1 . . . A 557 LEU HG . 19317 1
267 . 1 1 22 22 LEU HD11 H 1 0.859 . . 2 . . . A 557 LEU HD11 . 19317 1
268 . 1 1 22 22 LEU HD12 H 1 0.859 . . 2 . . . A 557 LEU HD12 . 19317 1
269 . 1 1 22 22 LEU HD13 H 1 0.859 . . 2 . . . A 557 LEU HD13 . 19317 1
270 . 1 1 22 22 LEU HD21 H 1 0.697 . . 2 . . . A 557 LEU HD21 . 19317 1
271 . 1 1 22 22 LEU HD22 H 1 0.697 . . 2 . . . A 557 LEU HD22 . 19317 1
272 . 1 1 22 22 LEU HD23 H 1 0.697 . . 2 . . . A 557 LEU HD23 . 19317 1
273 . 1 1 22 22 LEU CA C 13 51.042 . . 1 . . . A 557 LEU CA . 19317 1
274 . 1 1 22 22 LEU CB C 13 44.790 . . 1 . . . A 557 LEU CB . 19317 1
275 . 1 1 22 22 LEU CD1 C 13 25.391 . . . . . . A 557 LEU CD1 . 19317 1
276 . 1 1 22 22 LEU CD2 C 13 25.165 . . 2 . . . A 557 LEU CD2 . 19317 1
277 . 1 1 22 22 LEU N N 15 119.301 . . 1 . . . A 557 LEU N . 19317 1
278 . 1 1 23 23 PRO HA H 1 4.514 . . 1 . . . A 558 PRO HA . 19317 1
279 . 1 1 23 23 PRO HB2 H 1 2.299 . . . . . . A 558 PRO HB2 . 19317 1
280 . 1 1 23 23 PRO HB3 H 1 1.367 . . 2 . . . A 558 PRO HB3 . 19317 1
281 . 1 1 23 23 PRO HG2 H 1 1.995 . . . . . . A 558 PRO HG2 . 19317 1
282 . 1 1 23 23 PRO HG3 H 1 1.929 . . 2 . . . A 558 PRO HG3 . 19317 1
283 . 1 1 23 23 PRO HD2 H 1 3.430 . . . . . . A 558 PRO HD2 . 19317 1
284 . 1 1 23 23 PRO HD3 H 1 3.680 . . 2 . . . A 558 PRO HD3 . 19317 1
285 . 1 1 23 23 PRO CA C 13 60.543 . . 1 . . . A 558 PRO CA . 19317 1
286 . 1 1 23 23 PRO CB C 13 31.301 . . 1 . . . A 558 PRO CB . 19317 1
287 . 1 1 23 23 PRO CD C 13 50.100 . . 1 . . . A 558 PRO CD . 19317 1
288 . 1 1 24 24 PRO HA H 1 3.792 . . 1 . . . A 559 PRO HA . 19317 1
289 . 1 1 24 24 PRO HB2 H 1 1.778 . . 2 . . . A 559 PRO HB2 . 19317 1
290 . 1 1 24 24 PRO HB3 H 1 1.778 . . 2 . . . A 559 PRO HB . 19317 1
291 . 1 1 24 24 PRO HG2 H 1 1.894 . . 2 . . . A 559 PRO HG2 . 19317 1
292 . 1 1 24 24 PRO HG3 H 1 1.894 . . 2 . . . A 559 PRO HG . 19317 1
293 . 1 1 24 24 PRO C C 13 177.927 . . . . . . A 559 PRO C . 19317 1
294 . 1 1 24 24 PRO CA C 13 66.073 . . 1 . . . A 559 PRO CA . 19317 1
295 . 1 1 24 24 PRO CB C 13 31.677 . . 1 . . . A 559 PRO CB . 19317 1
296 . 1 1 25 25 TYR H H 1 7.672 . . 1 . . . A 560 TYR HN . 19317 1
297 . 1 1 25 25 TYR HA H 1 4.393 . . 1 . . . A 560 TYR HA . 19317 1
298 . 1 1 25 25 TYR HB2 H 1 2.922 . . 2 . . . A 560 TYR HB2 . 19317 1
299 . 1 1 25 25 TYR HB3 H 1 2.922 . . 2 . . . A 560 TYR HB . 19317 1
300 . 1 1 25 25 TYR HD1 H 1 6.991 . . . . . . A 560 TYR HD1 . 19317 1
301 . 1 1 25 25 TYR HD2 H 1 6.991 . . . . . . A 560 TYR HD2 . 19317 1
302 . 1 1 25 25 TYR HE2 H 1 6.890 . . 3 . . . A 560 TYR HE2 . 19317 1
303 . 1 1 25 25 TYR C C 13 176.096 . . . . . . A 560 TYR C . 19317 1
304 . 1 1 25 25 TYR CA C 13 57.592 . . 1 . . . A 560 TYR CA . 19317 1
305 . 1 1 25 25 TYR CB C 13 35.625 . . 1 . . . A 560 TYR CB . 19317 1
306 . 1 1 25 25 TYR CD1 C 13 132.661 . . . . . . A 560 TYR CD1 . 19317 1
307 . 1 1 25 25 TYR CD2 C 13 132.661 . . . . . . A 560 TYR CD2 . 19317 1
308 . 1 1 25 25 TYR N N 15 112.183 . . 1 . . . A 560 TYR N . 19317 1
309 . 1 1 26 26 THR H H 1 7.414 . . 1 . . . A 561 THR HN . 19317 1
310 . 1 1 26 26 THR HA H 1 4.015 . . 1 . . . A 561 THR HA . 19317 1
311 . 1 1 26 26 THR HB H 1 4.012 . . 1 . . . A 561 THR HB . 19317 1
312 . 1 1 26 26 THR HG21 H 1 1.110 . . 1 . . . A 561 THR HG21 . 19317 1
313 . 1 1 26 26 THR HG22 H 1 1.110 . . 1 . . . A 561 THR HG22 . 19317 1
314 . 1 1 26 26 THR HG23 H 1 1.110 . . 1 . . . A 561 THR HG23 . 19317 1
315 . 1 1 26 26 THR C C 13 175.218 . . . . . . A 561 THR C . 19317 1
316 . 1 1 26 26 THR CA C 13 63.644 . . 1 . . . A 561 THR CA . 19317 1
317 . 1 1 26 26 THR CB C 13 66.333 . . 1 . . . A 561 THR CB . 19317 1
318 . 1 1 26 26 THR CG2 C 13 22.414 . . . . . . A 561 THR CG2 . 19317 1
319 . 1 1 26 26 THR N N 15 112.685 . . 1 . . . A 561 THR N . 19317 1
320 . 1 1 27 27 ILE H H 1 7.355 . . 1 . . . A 562 ILE HN . 19317 1
321 . 1 1 27 27 ILE HA H 1 3.466 . . 1 . . . A 562 ILE HA . 19317 1
322 . 1 1 27 27 ILE HB H 1 1.748 . . 1 . . . A 562 ILE HB . 19317 1
323 . 1 1 27 27 ILE HG12 H 1 0.791 . . . . . . A 562 ILE HG12 . 19317 1
324 . 1 1 27 27 ILE HG13 H 1 1.127 . . 2 . . . A 562 ILE HG13 . 19317 1
325 . 1 1 27 27 ILE HG21 H 1 0.026 . . 1 . . . A 562 ILE HG21 . 19317 1
326 . 1 1 27 27 ILE HG22 H 1 0.026 . . 1 . . . A 562 ILE HG22 . 19317 1
327 . 1 1 27 27 ILE HG23 H 1 0.026 . . 1 . . . A 562 ILE HG23 . 19317 1
328 . 1 1 27 27 ILE HD11 H 1 0.349 . . 1 . . . A 562 ILE HD11 . 19317 1
329 . 1 1 27 27 ILE HD12 H 1 0.349 . . 1 . . . A 562 ILE HD12 . 19317 1
330 . 1 1 27 27 ILE HD13 H 1 0.349 . . 1 . . . A 562 ILE HD13 . 19317 1
331 . 1 1 27 27 ILE C C 13 173.966 . . . . . . A 562 ILE C . 19317 1
332 . 1 1 27 27 ILE CA C 13 63.713 . . 1 . . . A 562 ILE CA . 19317 1
333 . 1 1 27 27 ILE CB C 13 35.866 . . 1 . . . A 562 ILE CB . 19317 1
334 . 1 1 27 27 ILE CG1 C 13 27.116 . . 1 . . . A 562 ILE CG1 . 19317 1
335 . 1 1 27 27 ILE CG2 C 13 16.561 . . 1 . . . A 562 ILE CG2 . 19317 1
336 . 1 1 27 27 ILE CD1 C 13 12.315 . . 1 . . . A 562 ILE CD1 . 19317 1
337 . 1 1 27 27 ILE N N 15 123.954 . . 1 . . . A 562 ILE N . 19317 1
338 . 1 1 28 28 PHE H H 1 6.697 . . 1 . . . A 563 PHE HN . 19317 1
339 . 1 1 28 28 PHE HA H 1 5.150 . . 1 . . . A 563 PHE HA . 19317 1
340 . 1 1 28 28 PHE HB2 H 1 3.402 . . . . . . A 563 PHE HB2 . 19317 1
341 . 1 1 28 28 PHE HB3 H 1 2.308 . . 2 . . . A 563 PHE HB3 . 19317 1
342 . 1 1 28 28 PHE HD1 H 1 7.228 . . . . . . A 563 PHE HD1 . 19317 1
343 . 1 1 28 28 PHE HD2 H 1 7.228 . . . . . . A 563 PHE HD2 . 19317 1
344 . 1 1 28 28 PHE HE1 H 1 7.257 . . . . . . A 563 PHE HE1 . 19317 1
345 . 1 1 28 28 PHE HE2 H 1 7.257 . . . . . . A 563 PHE HE2 . 19317 1
346 . 1 1 28 28 PHE HZ H 1 6.955 . . 1 . . . A 563 PHE HZ . 19317 1
347 . 1 1 28 28 PHE C C 13 175.669 . . . . . . A 563 PHE C . 19317 1
348 . 1 1 28 28 PHE CA C 13 57.100 . . 1 . . . A 563 PHE CA . 19317 1
349 . 1 1 28 28 PHE CB C 13 46.778 . . 1 . . . A 563 PHE CB . 19317 1
350 . 1 1 28 28 PHE CD1 C 13 132.733 . . . . . . A 563 PHE CD1 . 19317 1
351 . 1 1 28 28 PHE CD2 C 13 132.733 . . . . . . A 563 PHE CD2 . 19317 1
352 . 1 1 28 28 PHE CE1 C 13 131.546 . . . . . . A 563 PHE CE1 . 19317 1
353 . 1 1 28 28 PHE CZ C 13 127.492 . . 1 . . . A 563 PHE CZ . 19317 1
354 . 1 1 28 28 PHE N N 15 108.622 . . 1 . . . A 563 PHE N . 19317 1
355 . 1 1 29 29 HIS H H 1 9.734 . . 1 . . . A 564 HIS HN . 19317 1
356 . 1 1 29 29 HIS HA H 1 4.628 . . 1 . . . A 564 HIS HA . 19317 1
357 . 1 1 29 29 HIS HB2 H 1 3.317 . . . . . . A 564 HIS HB2 . 19317 1
358 . 1 1 29 29 HIS HB3 H 1 3.499 . . 2 . . . A 564 HIS HB3 . 19317 1
359 . 1 1 29 29 HIS HD2 H 1 7.317 . . 1 . . . A 564 HIS HD2 . 19317 1
360 . 1 1 29 29 HIS HE1 H 1 7.166 . . . . . . A 564 HIS HE1 . 19317 1
361 . 1 1 29 29 HIS C C 13 176.976 . . . . . . A 564 HIS C . 19317 1
362 . 1 1 29 29 HIS CA C 13 56.812 . . 1 . . . A 564 HIS CA . 19317 1
363 . 1 1 29 29 HIS CB C 13 30.828 . . 1 . . . A 564 HIS CB . 19317 1
364 . 1 1 29 29 HIS CD2 C 13 131.953 . . 1 . . . A 564 HIS CD2 . 19317 1
365 . 1 1 29 29 HIS N N 15 121.497 . . 1 . . . A 564 HIS N . 19317 1
366 . 1 1 30 30 ASP H H 1 9.368 . . 1 . . . A 565 ASP HN . 19317 1
367 . 1 1 30 30 ASP HA H 1 4.349 . . 1 . . . A 565 ASP HA . 19317 1
368 . 1 1 30 30 ASP HB2 H 1 2.848 . . 2 . . . A 565 ASP HB2 . 19317 1
369 . 1 1 30 30 ASP HB3 H 1 2.848 . . 2 . . . A 565 ASP HB . 19317 1
370 . 1 1 30 30 ASP C C 13 178.440 . . . . . . A 565 ASP C . 19317 1
371 . 1 1 30 30 ASP CA C 13 59.058 . . 1 . . . A 565 ASP CA . 19317 1
372 . 1 1 30 30 ASP CB C 13 39.745 . . 1 . . . A 565 ASP CB . 19317 1
373 . 1 1 30 30 ASP N N 15 124.257 . . 1 . . . A 565 ASP N . 19317 1
374 . 1 1 31 31 ALA H H 1 9.527 . . 1 . . . A 566 ALA HN . 19317 1
375 . 1 1 31 31 ALA HA H 1 4.116 . . 1 . . . A 566 ALA HA . 19317 1
376 . 1 1 31 31 ALA HB1 H 1 1.466 . . 1 . . . A 566 ALA HB1 . 19317 1
377 . 1 1 31 31 ALA HB2 H 1 1.466 . . 1 . . . A 566 ALA HB2 . 19317 1
378 . 1 1 31 31 ALA HB3 H 1 1.466 . . 1 . . . A 566 ALA HB3 . 19317 1
379 . 1 1 31 31 ALA C C 13 180.729 . . . . . . A 566 ALA C . 19317 1
380 . 1 1 31 31 ALA CA C 13 55.520 . . 1 . . . A 566 ALA CA . 19317 1
381 . 1 1 31 31 ALA CB C 13 18.124 . . 1 . . . A 566 ALA CB . 19317 1
382 . 1 1 31 31 ALA N N 15 121.118 . . 1 . . . A 566 ALA N . 19317 1
383 . 1 1 32 32 THR H H 1 7.197 . . 1 . . . A 567 THR HN . 19317 1
384 . 1 1 32 32 THR HA H 1 4.018 . . 1 . . . A 567 THR HA . 19317 1
385 . 1 1 32 32 THR HB H 1 4.283 . . 1 . . . A 567 THR HB . 19317 1
386 . 1 1 32 32 THR HG21 H 1 1.039 . . 1 . . . A 567 THR HG21 . 19317 1
387 . 1 1 32 32 THR HG22 H 1 1.039 . . 1 . . . A 567 THR HG22 . 19317 1
388 . 1 1 32 32 THR HG23 H 1 1.039 . . 1 . . . A 567 THR HG23 . 19317 1
389 . 1 1 32 32 THR C C 13 176.107 . . . . . . A 567 THR C . 19317 1
390 . 1 1 32 32 THR CA C 13 65.948 . . 1 . . . A 567 THR CA . 19317 1
391 . 1 1 32 32 THR CB C 13 68.850 . . 1 . . . A 567 THR CB . 19317 1
392 . 1 1 32 32 THR CG2 C 13 22.833 . . . . . . A 567 THR CG2 . 19317 1
393 . 1 1 32 32 THR N N 15 115.054 . . 1 . . . A 567 THR N . 19317 1
394 . 1 1 33 33 LEU H H 1 7.674 . . 1 . . . A 568 LEU HN . 19317 1
395 . 1 1 33 33 LEU HA H 1 4.006 . . 1 . . . A 568 LEU HA . 19317 1
396 . 1 1 33 33 LEU HB2 H 1 2.376 . . . . . . A 568 LEU HB2 . 19317 1
397 . 1 1 33 33 LEU HB3 H 1 1.481 . . 2 . . . A 568 LEU HB3 . 19317 1
398 . 1 1 33 33 LEU HG H 1 1.879 . . 1 . . . A 568 LEU HG . 19317 1
399 . 1 1 33 33 LEU HD11 H 1 0.771 . . . . . . A 568 LEU HD11 . 19317 1
400 . 1 1 33 33 LEU HD12 H 1 0.771 . . . . . . A 568 LEU HD12 . 19317 1
401 . 1 1 33 33 LEU HD13 H 1 0.771 . . . . . . A 568 LEU HD13 . 19317 1
402 . 1 1 33 33 LEU HD21 H 1 0.771 . . . . . . A 568 LEU HD21 . 19317 1
403 . 1 1 33 33 LEU HD22 H 1 0.771 . . . . . . A 568 LEU HD22 . 19317 1
404 . 1 1 33 33 LEU HD23 H 1 0.771 . . . . . . A 568 LEU HD23 . 19317 1
405 . 1 1 33 33 LEU C C 13 178.263 . . . . . . A 568 LEU C . 19317 1
406 . 1 1 33 33 LEU CA C 13 58.014 . . 1 . . . A 568 LEU CA . 19317 1
407 . 1 1 33 33 LEU CB C 13 41.202 . . 1 . . . A 568 LEU CB . 19317 1
408 . 1 1 33 33 LEU CD1 C 13 26.091 . . . . . . A 568 LEU CD1 . 19317 1
409 . 1 1 33 33 LEU CD2 C 13 26.091 . . . . . . A 568 LEU CD2 . 19317 1
410 . 1 1 33 33 LEU N N 15 118.298 . . 1 . . . A 568 LEU N . 19317 1
411 . 1 1 34 34 LYS H H 1 8.564 . . 1 . . . A 569 LYS HN . 19317 1
412 . 1 1 34 34 LYS HA H 1 3.685 . . 1 . . . A 569 LYS HA . 19317 1
413 . 1 1 34 34 LYS HB2 H 1 1.609 . . . . . . A 569 LYS HB2 . 19317 1
414 . 1 1 34 34 LYS HB3 H 1 1.820 . . 2 . . . A 569 LYS HB3 . 19317 1
415 . 1 1 34 34 LYS HG2 H 1 0.988 . . . . . . A 569 LYS HG2 . 19317 1
416 . 1 1 34 34 LYS HG3 H 1 1.095 . . 2 . . . A 569 LYS HG3 . 19317 1
417 . 1 1 34 34 LYS HD2 H 1 1.852 . . 2 . . . A 569 LYS HD2 . 19317 1
418 . 1 1 34 34 LYS HD3 H 1 1.852 . . 2 . . . A 569 LYS HD . 19317 1
419 . 1 1 34 34 LYS HE2 H 1 2.525 . . . . . . A 569 LYS HE2 . 19317 1
420 . 1 1 34 34 LYS HE3 H 1 2.586 . . 2 . . . A 569 LYS HE3 . 19317 1
421 . 1 1 34 34 LYS C C 13 178.299 . . . . . . A 569 LYS C . 19317 1
422 . 1 1 34 34 LYS CA C 13 59.707 . . 1 . . . A 569 LYS CA . 19317 1
423 . 1 1 34 34 LYS CB C 13 31.758 . . 1 . . . A 569 LYS CB . 19317 1
424 . 1 1 34 34 LYS CG C 13 24.964 . . 1 . . . A 569 LYS CG . 19317 1
425 . 1 1 34 34 LYS CD C 13 24.889 . . . . . . A 569 LYS CD . 19317 1
426 . 1 1 34 34 LYS CE C 13 41.787 . . 1 . . . A 569 LYS CE . 19317 1
427 . 1 1 34 34 LYS N N 15 119.630 . . 1 . . . A 569 LYS N . 19317 1
428 . 1 1 35 35 THR H H 1 7.810 . . 1 . . . A 570 THR HN . 19317 1
429 . 1 1 35 35 THR HA H 1 3.960 . . 1 . . . A 570 THR HA . 19317 1
430 . 1 1 35 35 THR HB H 1 4.186 . . 1 . . . A 570 THR HB . 19317 1
431 . 1 1 35 35 THR HG21 H 1 1.314 . . 1 . . . A 570 THR HG21 . 19317 1
432 . 1 1 35 35 THR HG22 H 1 1.314 . . 1 . . . A 570 THR HG22 . 19317 1
433 . 1 1 35 35 THR HG23 H 1 1.314 . . 1 . . . A 570 THR HG23 . 19317 1
434 . 1 1 35 35 THR C C 13 176.752 . . . . . . A 570 THR C . 19317 1
435 . 1 1 35 35 THR CA C 13 66.674 . . 1 . . . A 570 THR CA . 19317 1
436 . 1 1 35 35 THR CB C 13 67.978 . . 1 . . . A 570 THR CB . 19317 1
437 . 1 1 35 35 THR CG2 C 13 23.522 . . . . . . A 570 THR CG2 . 19317 1
438 . 1 1 35 35 THR N N 15 116.903 . . 1 . . . A 570 THR N . 19317 1
439 . 1 1 36 36 ILE H H 1 8.224 . . 1 . . . A 571 ILE HN . 19317 1
440 . 1 1 36 36 ILE HA H 1 3.183 . . 1 . . . A 571 ILE HA . 19317 1
441 . 1 1 36 36 ILE HB H 1 1.711 . . 1 . . . A 571 ILE HB . 19317 1
442 . 1 1 36 36 ILE HG12 H 1 1.900 . . . . . . A 571 ILE HG12 . 19317 1
443 . 1 1 36 36 ILE HG13 H 1 0.390 . . 2 . . . A 571 ILE HG13 . 19317 1
444 . 1 1 36 36 ILE HG21 H 1 0.464 . . . . . . A 571 ILE HG21 . 19317 1
445 . 1 1 36 36 ILE HG22 H 1 0.464 . . . . . . A 571 ILE HG22 . 19317 1
446 . 1 1 36 36 ILE HG23 H 1 0.464 . . . . . . A 571 ILE HG23 . 19317 1
447 . 1 1 36 36 ILE HD11 H 1 0.190 . . 1 . . . A 571 ILE HD11 . 19317 1
448 . 1 1 36 36 ILE HD12 H 1 0.190 . . 1 . . . A 571 ILE HD12 . 19317 1
449 . 1 1 36 36 ILE HD13 H 1 0.190 . . 1 . . . A 571 ILE HD13 . 19317 1
450 . 1 1 36 36 ILE C C 13 177.015 . . . . . . A 571 ILE C . 19317 1
451 . 1 1 36 36 ILE CA C 13 66.716 . . 1 . . . A 571 ILE CA . 19317 1
452 . 1 1 36 36 ILE CB C 13 37.545 . . 1 . . . A 571 ILE CB . 19317 1
453 . 1 1 36 36 ILE CG1 C 13 29.815 . . 1 . . . A 571 ILE CG1 . 19317 1
454 . 1 1 36 36 ILE CG2 C 13 17.854 . . 1 . . . A 571 ILE CG2 . 19317 1
455 . 1 1 36 36 ILE CD1 C 13 13.456 . . 1 . . . A 571 ILE CD1 . 19317 1
456 . 1 1 36 36 ILE N N 15 121.329 . . 1 . . . A 571 ILE N . 19317 1
457 . 1 1 37 37 ALA H H 1 8.288 . . 1 . . . A 572 ALA HN . 19317 1
458 . 1 1 37 37 ALA HA H 1 3.936 . . 1 . . . A 572 ALA HA . 19317 1
459 . 1 1 37 37 ALA HB1 H 1 1.541 . . 1 . . . A 572 ALA HB1 . 19317 1
460 . 1 1 37 37 ALA HB2 H 1 1.541 . . 1 . . . A 572 ALA HB2 . 19317 1
461 . 1 1 37 37 ALA HB3 H 1 1.541 . . 1 . . . A 572 ALA HB3 . 19317 1
462 . 1 1 37 37 ALA C C 13 177.693 . . . . . . A 572 ALA C . 19317 1
463 . 1 1 37 37 ALA CA C 13 54.148 . . 1 . . . A 572 ALA CA . 19317 1
464 . 1 1 37 37 ALA CB C 13 17.831 . . 1 . . . A 572 ALA CB . 19317 1
465 . 1 1 37 37 ALA N N 15 120.820 . . 1 . . . A 572 ALA N . 19317 1
466 . 1 1 38 38 GLU H H 1 7.717 . . 1 . . . A 573 GLU HN . 19317 1
467 . 1 1 38 38 GLU HA H 1 4.027 . . 1 . . . A 573 GLU HA . 19317 1
468 . 1 1 38 38 GLU HB2 H 1 2.024 . . . . . . A 573 GLU HB2 . 19317 1
469 . 1 1 38 38 GLU HB3 H 1 2.186 . . 2 . . . A 573 GLU HB3 . 19317 1
470 . 1 1 38 38 GLU HG2 H 1 2.209 . . . . . . A 573 GLU HG2 . 19317 1
471 . 1 1 38 38 GLU HG3 H 1 2.441 . . 2 . . . A 573 GLU HG3 . 19317 1
472 . 1 1 38 38 GLU C C 13 178.618 . . . . . . A 573 GLU C . 19317 1
473 . 1 1 38 38 GLU CA C 13 58.404 . . 1 . . . A 573 GLU CA . 19317 1
474 . 1 1 38 38 GLU CB C 13 30.103 . . 1 . . . A 573 GLU CB . 19317 1
475 . 1 1 38 38 GLU CG C 13 36.074 . . 1 . . . A 573 GLU CG . 19317 1
476 . 1 1 38 38 GLU N N 15 115.552 . . 1 . . . A 573 GLU N . 19317 1
477 . 1 1 39 39 LEU H H 1 8.201 . . 1 . . . A 574 LEU HN . 19317 1
478 . 1 1 39 39 LEU HA H 1 4.073 . . 1 . . . A 574 LEU HA . 19317 1
479 . 1 1 39 39 LEU HB2 H 1 1.497 . . . . . . A 574 LEU HB2 . 19317 1
480 . 1 1 39 39 LEU HB3 H 1 1.565 . . 2 . . . A 574 LEU HB3 . 19317 1
481 . 1 1 39 39 LEU HD11 H 1 0.795 . . 2 . . . A 574 LEU HD11 . 19317 1
482 . 1 1 39 39 LEU HD12 H 1 0.795 . . 2 . . . A 574 LEU HD12 . 19317 1
483 . 1 1 39 39 LEU HD13 H 1 0.795 . . 2 . . . A 574 LEU HD13 . 19317 1
484 . 1 1 39 39 LEU HD21 H 1 0.695 . . 2 . . . A 574 LEU HD21 . 19317 1
485 . 1 1 39 39 LEU HD22 H 1 0.695 . . 2 . . . A 574 LEU HD22 . 19317 1
486 . 1 1 39 39 LEU HD23 H 1 0.695 . . 2 . . . A 574 LEU HD23 . 19317 1
487 . 1 1 39 39 LEU C C 13 177.167 . . . . . . A 574 LEU C . 19317 1
488 . 1 1 39 39 LEU CA C 13 56.348 . . 1 . . . A 574 LEU CA . 19317 1
489 . 1 1 39 39 LEU CB C 13 43.574 . . 1 . . . A 574 LEU CB . 19317 1
490 . 1 1 39 39 LEU CD1 C 13 24.958 . . . . . . A 574 LEU CD1 . 19317 1
491 . 1 1 39 39 LEU CD2 C 13 24.958 . . . . . . A 574 LEU CD2 . 19317 1
492 . 1 1 39 39 LEU N N 15 119.498 . . 1 . . . A 574 LEU N . 19317 1
493 . 1 1 40 40 ARG H H 1 8.418 . . 1 . . . A 575 ARG HN . 19317 1
494 . 1 1 40 40 ARG HA H 1 3.424 . . 1 . . . A 575 ARG HA . 19317 1
495 . 1 1 40 40 ARG HB2 H 1 1.913 . . . . . . A 575 ARG HB2 . 19317 1
496 . 1 1 40 40 ARG HB3 H 1 1.529 . . 2 . . . A 575 ARG HB3 . 19317 1
497 . 1 1 40 40 ARG HG2 H 1 1.919 . . . . . . A 575 ARG HG2 . 19317 1
498 . 1 1 40 40 ARG HG3 H 1 1.529 . . 2 . . . A 575 ARG HG3 . 19317 1
499 . 1 1 40 40 ARG HD2 H 1 3.178 . . . . . . A 575 ARG HD2 . 19317 1
500 . 1 1 40 40 ARG HD3 H 1 3.148 . . 2 . . . A 575 ARG HD3 . 19317 1
501 . 1 1 40 40 ARG CA C 13 56.700 . . 1 . . . A 575 ARG CA . 19317 1
502 . 1 1 40 40 ARG CB C 13 27.979 . . 1 . . . A 575 ARG CB . 19317 1
503 . 1 1 40 40 ARG N N 15 112.157 . . 1 . . . A 575 ARG N . 19317 1
504 . 1 1 41 41 PRO HA H 1 4.262 . . 1 . . . A 576 PRO HA . 19317 1
505 . 1 1 41 41 PRO HB2 H 1 2.123 . . 2 . . . A 576 PRO HB2 . 19317 1
506 . 1 1 41 41 PRO HB3 H 1 1.798 . . . . . . A 576 PRO HB3 . 19317 1
507 . 1 1 41 41 PRO HG2 H 1 1.807 . . . . . . A 576 PRO HG2 . 19317 1
508 . 1 1 41 41 PRO HG3 H 1 1.731 . . 2 . . . A 576 PRO HG3 . 19317 1
509 . 1 1 41 41 PRO HD2 H 1 3.743 . . . . . . A 576 PRO HD2 . 19317 1
510 . 1 1 41 41 PRO HD3 H 1 3.603 . . 2 . . . A 576 PRO HD3 . 19317 1
511 . 1 1 41 41 PRO C C 13 176.072 . . . . . . A 576 PRO C . 19317 1
512 . 1 1 41 41 PRO CA C 13 62.832 . . 1 . . . A 576 PRO CA . 19317 1
513 . 1 1 41 41 PRO CB C 13 31.712 . . 1 . . . A 576 PRO CB . 19317 1
514 . 1 1 42 42 GLY H H 1 8.520 . . 1 . . . A 577 GLY HN . 19317 1
515 . 1 1 42 42 GLY HA2 H 1 3.645 . . . . . . A 577 GLY HA2 . 19317 1
516 . 1 1 42 42 GLY HA3 H 1 4.338 . . 2 . . . A 577 GLY HA3 . 19317 1
517 . 1 1 42 42 GLY C C 13 173.596 . . . . . . A 577 GLY C . 19317 1
518 . 1 1 42 42 GLY CA C 13 44.302 . . 1 . . . A 577 GLY CA . 19317 1
519 . 1 1 42 42 GLY N N 15 105.613 . . 1 . . . A 577 GLY N . 19317 1
520 . 1 1 43 43 SER H H 1 7.371 . . 1 . . . A 578 SER HN . 19317 1
521 . 1 1 43 43 SER HA H 1 4.260 . . 1 . . . A 578 SER HA . 19317 1
522 . 1 1 43 43 SER HB2 H 1 4.317 . . 2 . . . A 578 SER HB2 . 19317 1
523 . 1 1 43 43 SER HB3 H 1 4.317 . . 2 . . . A 578 SER HB . 19317 1
524 . 1 1 43 43 SER CA C 13 55.926 . . 1 . . . A 578 SER CA . 19317 1
525 . 1 1 43 43 SER CB C 13 66.724 . . 1 . . . A 578 SER CB . 19317 1
526 . 1 1 43 43 SER N N 15 111.416 . . 1 . . . A 578 SER N . 19317 1
527 . 1 1 44 44 HIS HA H 1 3.898 . . 1 . . . A 579 HIS HA . 19317 1
528 . 1 1 44 44 HIS HB2 H 1 3.134 . . . . . . A 579 HIS HB2 . 19317 1
529 . 1 1 44 44 HIS HB3 H 1 3.265 . . 2 . . . A 579 HIS HB3 . 19317 1
530 . 1 1 44 44 HIS HD1 H 1 7.666 . . 1 . . . A 579 HIS HD1 . 19317 1
531 . 1 1 44 44 HIS HD2 H 1 6.870 . . 1 . . . A 579 HIS HD2 . 19317 1
532 . 1 1 44 44 HIS HE1 H 1 7.211 . . 1 . . . A 579 HIS HE1 . 19317 1
533 . 1 1 44 44 HIS C C 13 176.915 . . . . . . A 579 HIS C . 19317 1
534 . 1 1 44 44 HIS CA C 13 61.674 . . 1 . . . A 579 HIS CA . 19317 1
535 . 1 1 44 44 HIS CB C 13 29.831 . . 1 . . . A 579 HIS CB . 19317 1
536 . 1 1 44 44 HIS CD2 C 13 117.096 . . 1 . . . A 579 HIS CD2 . 19317 1
537 . 1 1 44 44 HIS CE1 C 13 130.944 . . 1 . . . A 579 HIS CE1 . 19317 1
538 . 1 1 45 45 ALA H H 1 8.614 . . 1 . . . A 580 ALA HN . 19317 1
539 . 1 1 45 45 ALA HA H 1 3.709 . . 1 . . . A 580 ALA HA . 19317 1
540 . 1 1 45 45 ALA HB1 H 1 1.424 . . 1 . . . A 580 ALA HB1 . 19317 1
541 . 1 1 45 45 ALA HB2 H 1 1.424 . . 1 . . . A 580 ALA HB2 . 19317 1
542 . 1 1 45 45 ALA HB3 H 1 1.424 . . 1 . . . A 580 ALA HB3 . 19317 1
543 . 1 1 45 45 ALA CA C 13 55.239 . . 1 . . . A 580 ALA CA . 19317 1
544 . 1 1 45 45 ALA CB C 13 17.936 . . 1 . . . A 580 ALA CB . 19317 1
545 . 1 1 45 45 ALA N N 15 120.561 . . 1 . . . A 580 ALA N . 19317 1
546 . 1 1 46 46 THR H H 1 7.764 . . 1 . . . A 581 THR HN . 19317 1
547 . 1 1 46 46 THR HA H 1 4.079 . . 1 . . . A 581 THR HA . 19317 1
548 . 1 1 46 46 THR HB H 1 4.009 . . 1 . . . A 581 THR HB . 19317 1
549 . 1 1 46 46 THR HG21 H 1 1.253 . . 1 . . . A 581 THR HG21 . 19317 1
550 . 1 1 46 46 THR HG22 H 1 1.253 . . 1 . . . A 581 THR HG22 . 19317 1
551 . 1 1 46 46 THR HG23 H 1 1.253 . . 1 . . . A 581 THR HG23 . 19317 1
552 . 1 1 46 46 THR C C 13 177.943 . . . . . . A 581 THR C . 19317 1
553 . 1 1 46 46 THR CA C 13 64.843 . . 1 . . . A 581 THR CA . 19317 1
554 . 1 1 46 46 THR CB C 13 68.572 . . 1 . . . A 581 THR CB . 19317 1
555 . 1 1 46 46 THR CG2 C 13 22.761 . . . . . . A 581 THR CG2 . 19317 1
556 . 1 1 46 46 THR N N 15 110.832 . . 1 . . . A 581 THR N . 19317 1
557 . 1 1 47 47 LEU H H 1 8.191 . . 1 . . . A 582 LEU HN . 19317 1
558 . 1 1 47 47 LEU HA H 1 3.944 . . 1 . . . A 582 LEU HA . 19317 1
559 . 1 1 47 47 LEU HB2 H 1 1.281 . . . . . . A 582 LEU HB2 . 19317 1
560 . 1 1 47 47 LEU HB3 H 1 1.907 . . 2 . . . A 582 LEU HB3 . 19317 1
561 . 1 1 47 47 LEU HG H 1 1.443 . . 1 . . . A 582 LEU HG . 19317 1
562 . 1 1 47 47 LEU HD11 H 1 0.757 . . 2 . . . A 582 LEU HD11 . 19317 1
563 . 1 1 47 47 LEU HD12 H 1 0.757 . . 2 . . . A 582 LEU HD12 . 19317 1
564 . 1 1 47 47 LEU HD13 H 1 0.757 . . 2 . . . A 582 LEU HD13 . 19317 1
565 . 1 1 47 47 LEU HD21 H 1 0.636 . . 2 . . . A 582 LEU HD21 . 19317 1
566 . 1 1 47 47 LEU HD22 H 1 0.636 . . 2 . . . A 582 LEU HD22 . 19317 1
567 . 1 1 47 47 LEU HD23 H 1 0.636 . . 2 . . . A 582 LEU HD23 . 19317 1
568 . 1 1 47 47 LEU C C 13 177.008 . . . . . . A 582 LEU C . 19317 1
569 . 1 1 47 47 LEU CA C 13 57.984 . . 1 . . . A 582 LEU CA . 19317 1
570 . 1 1 47 47 LEU CB C 13 41.064 . . 1 . . . A 582 LEU CB . 19317 1
571 . 1 1 47 47 LEU CD1 C 13 27.037 . . . . . . A 582 LEU CD1 . 19317 1
572 . 1 1 47 47 LEU CD2 C 13 27.037 . . . . . . A 582 LEU CD2 . 19317 1
573 . 1 1 47 47 LEU N N 15 125.277 . . 1 . . . A 582 LEU N . 19317 1
574 . 1 1 48 48 GLY H H 1 8.419 . . 1 . . . A 583 GLY HN . 19317 1
575 . 1 1 48 48 GLY HA2 H 1 3.964 . . 2 . . . A 583 GLY HA2 . 19317 1
576 . 1 1 48 48 GLY HA3 H 1 3.964 . . 2 . . . A 583 GLY HA . 19317 1
577 . 1 1 48 48 GLY C C 13 174.504 . . . . . . A 583 GLY C . 19317 1
578 . 1 1 48 48 GLY CA C 13 46.334 . . 1 . . . A 583 GLY CA . 19317 1
579 . 1 1 48 48 GLY N N 15 101.730 . . 1 . . . A 583 GLY N . 19317 1
580 . 1 1 49 49 THR H H 1 7.293 . . 1 . . . A 584 THR HN . 19317 1
581 . 1 1 49 49 THR HA H 1 4.360 . . 1 . . . A 584 THR HA . 19317 1
582 . 1 1 49 49 THR HB H 1 4.377 . . 1 . . . A 584 THR HB . 19317 1
583 . 1 1 49 49 THR HG21 H 1 1.370 . . . . . . A 584 THR HG21 . 19317 1
584 . 1 1 49 49 THR HG22 H 1 1.370 . . . . . . A 584 THR HG22 . 19317 1
585 . 1 1 49 49 THR HG23 H 1 1.370 . . . . . . A 584 THR HG23 . 19317 1
586 . 1 1 49 49 THR C C 13 174.927 . . . . . . A 584 THR C . 19317 1
587 . 1 1 49 49 THR CA C 13 62.244 . . 1 . . . A 584 THR CA . 19317 1
588 . 1 1 49 49 THR CB C 13 69.866 . . 1 . . . A 584 THR CB . 19317 1
589 . 1 1 49 49 THR CG2 C 13 21.169 . . 1 . . . A 584 THR CG2 . 19317 1
590 . 1 1 49 49 THR N N 15 108.629 . . 1 . . . A 584 THR N . 19317 1
591 . 1 1 50 50 VAL H H 1 7.495 . . 1 . . . A 585 VAL HN . 19317 1
592 . 1 1 50 50 VAL HA H 1 3.729 . . 1 . . . A 585 VAL HA . 19317 1
593 . 1 1 50 50 VAL HB H 1 2.176 . . 1 . . . A 585 VAL HB . 19317 1
594 . 1 1 50 50 VAL HG11 H 1 0.948 . . 2 . . . A 585 VAL HG11 . 19317 1
595 . 1 1 50 50 VAL HG12 H 1 0.948 . . 2 . . . A 585 VAL HG12 . 19317 1
596 . 1 1 50 50 VAL HG13 H 1 0.948 . . 2 . . . A 585 VAL HG13 . 19317 1
597 . 1 1 50 50 VAL HG21 H 1 0.905 . . 2 . . . A 585 VAL HG21 . 19317 1
598 . 1 1 50 50 VAL HG22 H 1 0.905 . . 2 . . . A 585 VAL HG22 . 19317 1
599 . 1 1 50 50 VAL HG23 H 1 0.905 . . 2 . . . A 585 VAL HG23 . 19317 1
600 . 1 1 50 50 VAL CA C 13 63.091 . . 1 . . . A 585 VAL CA . 19317 1
601 . 1 1 50 50 VAL CB C 13 31.245 . . 1 . . . A 585 VAL CB . 19317 1
602 . 1 1 50 50 VAL CG1 C 13 22.502 . . . . . . A 585 VAL CG1 . 19317 1
603 . 1 1 50 50 VAL N N 15 124.933 . . 1 . . . A 585 VAL N . 19317 1
604 . 1 1 51 51 SER H H 1 8.961 . . 1 . . . A 586 SER HN . 19317 1
605 . 1 1 51 51 SER HA H 1 4.462 . . 1 . . . A 586 SER HA . 19317 1
606 . 1 1 51 51 SER HB2 H 1 3.881 . . 2 . . . A 586 SER HB2 . 19317 1
607 . 1 1 51 51 SER HB3 H 1 3.881 . . 2 . . . A 586 SER HB . 19317 1
608 . 1 1 51 51 SER C C 13 175.570 . . . . . . A 586 SER C . 19317 1
609 . 1 1 51 51 SER CA C 13 60.384 . . 1 . . . A 586 SER CA . 19317 1
610 . 1 1 51 51 SER CB C 13 62.438 . . 1 . . . A 586 SER CB . 19317 1
611 . 1 1 51 51 SER N N 15 125.196 . . 1 . . . A 586 SER N . 19317 1
612 . 1 1 52 52 GLY H H 1 8.945 . . 1 . . . A 587 GLY HN . 19317 1
613 . 1 1 52 52 GLY HA2 H 1 3.869 . . . . . . A 587 GLY HA2 . 19317 1
614 . 1 1 52 52 GLY HA3 H 1 4.530 . . 2 . . . A 587 GLY HA3 . 19317 1
615 . 1 1 52 52 GLY C C 13 174.724 . . . . . . A 587 GLY C . 19317 1
616 . 1 1 52 52 GLY CA C 13 45.097 . . 1 . . . A 587 GLY CA . 19317 1
617 . 1 1 52 52 GLY N N 15 114.565 . . 1 . . . A 587 GLY N . 19317 1
618 . 1 1 53 53 VAL H H 1 8.126 . . 1 . . . A 588 VAL HN . 19317 1
619 . 1 1 53 53 VAL HA H 1 4.454 . . 1 . . . A 588 VAL HA . 19317 1
620 . 1 1 53 53 VAL HB H 1 2.519 . . 1 . . . A 588 VAL HB . 19317 1
621 . 1 1 53 53 VAL HG11 H 1 0.974 . . 2 . . . A 588 VAL HG11 . 19317 1
622 . 1 1 53 53 VAL HG12 H 1 0.974 . . 2 . . . A 588 VAL HG12 . 19317 1
623 . 1 1 53 53 VAL HG13 H 1 0.974 . . 2 . . . A 588 VAL HG13 . 19317 1
624 . 1 1 53 53 VAL HG21 H 1 0.605 . . 2 . . . A 588 VAL HG21 . 19317 1
625 . 1 1 53 53 VAL HG22 H 1 0.605 . . 2 . . . A 588 VAL HG22 . 19317 1
626 . 1 1 53 53 VAL HG23 H 1 0.605 . . 2 . . . A 588 VAL HG23 . 19317 1
627 . 1 1 53 53 VAL C C 13 174.941 . . . . . . A 588 VAL C . 19317 1
628 . 1 1 53 53 VAL CA C 13 62.313 . . 1 . . . A 588 VAL CA . 19317 1
629 . 1 1 53 53 VAL CB C 13 29.574 . . 1 . . . A 588 VAL CB . 19317 1
630 . 1 1 53 53 VAL CG1 C 13 22.284 . . 2 . . . A 588 VAL CG1 . 19317 1
631 . 1 1 53 53 VAL CG2 C 13 21.377 . . 2 . . . A 588 VAL CG2 . 19317 1
632 . 1 1 53 53 VAL N N 15 122.386 . . 1 . . . A 588 VAL N . 19317 1
633 . 1 1 54 54 GLY H H 1 7.730 . . 1 . . . A 589 GLY HN . 19317 1
634 . 1 1 54 54 GLY HA2 H 1 4.200 . . 2 . . . A 589 GLY HA2 . 19317 1
635 . 1 1 54 54 GLY HA3 H 1 4.200 . . 2 . . . A 589 GLY HA . 19317 1
636 . 1 1 54 54 GLY C C 13 174.401 . . . . . . A 589 GLY C . 19317 1
637 . 1 1 54 54 GLY CA C 13 44.745 . . 1 . . . A 589 GLY CA . 19317 1
638 . 1 1 54 54 GLY N N 15 108.127 . . 1 . . . A 589 GLY N . 19317 1
639 . 1 1 55 55 GLY H H 1 8.676 . . 1 . . . A 590 GLY HN . 19317 1
640 . 1 1 55 55 GLY HA2 H 1 3.744 . . . . . . A 590 GLY HA2 . 19317 1
641 . 1 1 55 55 GLY HA3 H 1 4.086 . . 2 . . . A 590 GLY HA3 . 19317 1
642 . 1 1 55 55 GLY C C 13 176.922 . . . . . . A 590 GLY C . 19317 1
643 . 1 1 55 55 GLY CA C 13 47.768 . . 1 . . . A 590 GLY CA . 19317 1
644 . 1 1 55 55 GLY N N 15 106.445 . . 1 . . . A 590 GLY N . 19317 1
645 . 1 1 56 56 ARG H H 1 8.703 . . 1 . . . A 591 ARG HN . 19317 1
646 . 1 1 56 56 ARG HA H 1 4.165 . . 1 . . . A 591 ARG HA . 19317 1
647 . 1 1 56 56 ARG HB2 H 1 1.936 . . . . . . A 591 ARG HB2 . 19317 1
648 . 1 1 56 56 ARG HB3 H 1 1.869 . . 2 . . . A 591 ARG HB3 . 19317 1
649 . 1 1 56 56 ARG HG2 H 1 1.738 . . . . . . A 591 ARG HG2 . 19317 1
650 . 1 1 56 56 ARG HG3 H 1 1.601 . . 2 . . . A 591 ARG HG3 . 19317 1
651 . 1 1 56 56 ARG HD2 H 1 3.202 . . 2 . . . A 591 ARG HD2 . 19317 1
652 . 1 1 56 56 ARG HD3 H 1 3.202 . . 2 . . . A 591 ARG HD . 19317 1
653 . 1 1 56 56 ARG C C 13 179.785 . . . . . . A 591 ARG C . 19317 1
654 . 1 1 56 56 ARG CA C 13 59.462 . . 1 . . . A 591 ARG CA . 19317 1
655 . 1 1 56 56 ARG CB C 13 29.708 . . 1 . . . A 591 ARG CB . 19317 1
656 . 1 1 56 56 ARG CG C 13 39.975 . . . . . . A 591 ARG CG . 19317 1
657 . 1 1 56 56 ARG CD C 13 40.041 . . 1 . . . A 591 ARG CD . 19317 1
658 . 1 1 56 56 ARG N N 15 123.309 . . 1 . . . A 591 ARG N . 19317 1
659 . 1 1 57 57 LYS H H 1 8.281 . . 1 . . . A 592 LYS HN . 19317 1
660 . 1 1 57 57 LYS HA H 1 3.964 . . 1 . . . A 592 LYS HA . 19317 1
661 . 1 1 57 57 LYS HB2 H 1 1.997 . . . . . . A 592 LYS HB2 . 19317 1
662 . 1 1 57 57 LYS HB3 H 1 2.262 . . 2 . . . A 592 LYS HB3 . 19317 1
663 . 1 1 57 57 LYS HG2 H 1 1.449 . . 2 . . . A 592 LYS HG2 . 19317 1
664 . 1 1 57 57 LYS HG3 H 1 1.449 . . 2 . . . A 592 LYS HG . 19317 1
665 . 1 1 57 57 LYS HD2 H 1 1.621 . . 2 . . . A 592 LYS HD2 . 19317 1
666 . 1 1 57 57 LYS HD3 H 1 1.621 . . 2 . . . A 592 LYS HD . 19317 1
667 . 1 1 57 57 LYS HE2 H 1 3.153 . . . . . . A 592 LYS HE2 . 19317 1
668 . 1 1 57 57 LYS HE3 H 1 3.272 . . 2 . . . A 592 LYS HE3 . 19317 1
669 . 1 1 57 57 LYS C C 13 178.739 . . . . . . A 592 LYS C . 19317 1
670 . 1 1 57 57 LYS CA C 13 59.643 . . 1 . . . A 592 LYS CA . 19317 1
671 . 1 1 57 57 LYS CB C 13 33.012 . . 1 . . . A 592 LYS CB . 19317 1
672 . 1 1 57 57 LYS CG C 13 27.284 . . 1 . . . A 592 LYS CG . 19317 1
673 . 1 1 57 57 LYS N N 15 119.834 . . 1 . . . A 592 LYS N . 19317 1
674 . 1 1 58 58 LEU H H 1 8.479 . . 1 . . . A 593 LEU HN . 19317 1
675 . 1 1 58 58 LEU HA H 1 3.825 . . 1 . . . A 593 LEU HA . 19317 1
676 . 1 1 58 58 LEU HB2 H 1 1.613 . . . . . . A 593 LEU HB2 . 19317 1
677 . 1 1 58 58 LEU HB3 H 1 1.970 . . 2 . . . A 593 LEU HB3 . 19317 1
678 . 1 1 58 58 LEU HG H 1 0.941 . . 1 . . . A 593 LEU HG . 19317 1
679 . 1 1 58 58 LEU HD11 H 1 0.629 . . . . . . A 593 LEU HD11 . 19317 1
680 . 1 1 58 58 LEU HD12 H 1 0.629 . . . . . . A 593 LEU HD12 . 19317 1
681 . 1 1 58 58 LEU HD13 H 1 0.629 . . . . . . A 593 LEU HD13 . 19317 1
682 . 1 1 58 58 LEU HD21 H 1 0.629 . . . . . . A 593 LEU HD21 . 19317 1
683 . 1 1 58 58 LEU HD22 H 1 0.629 . . . . . . A 593 LEU HD22 . 19317 1
684 . 1 1 58 58 LEU HD23 H 1 0.629 . . . . . . A 593 LEU HD23 . 19317 1
685 . 1 1 58 58 LEU C C 13 179.579 . . . . . . A 593 LEU C . 19317 1
686 . 1 1 58 58 LEU CA C 13 58.032 . . 1 . . . A 593 LEU CA . 19317 1
687 . 1 1 58 58 LEU CB C 13 42.119 . . 1 . . . A 593 LEU CB . 19317 1
688 . 1 1 58 58 LEU N N 15 121.057 . . 1 . . . A 593 LEU N . 19317 1
689 . 1 1 59 59 ALA H H 1 7.704 . . 1 . . . A 594 ALA HN . 19317 1
690 . 1 1 59 59 ALA HA H 1 4.148 . . 1 . . . A 594 ALA HA . 19317 1
691 . 1 1 59 59 ALA HB1 H 1 1.460 . . 1 . . . A 594 ALA HB1 . 19317 1
692 . 1 1 59 59 ALA HB2 H 1 1.460 . . 1 . . . A 594 ALA HB2 . 19317 1
693 . 1 1 59 59 ALA HB3 H 1 1.460 . . 1 . . . A 594 ALA HB3 . 19317 1
694 . 1 1 59 59 ALA C C 13 179.542 . . . . . . A 594 ALA C . 19317 1
695 . 1 1 59 59 ALA CA C 13 54.804 . . 1 . . . A 594 ALA CA . 19317 1
696 . 1 1 59 59 ALA CB C 13 18.081 . . 1 . . . A 594 ALA CB . 19317 1
697 . 1 1 59 59 ALA N N 15 120.701 . . 1 . . . A 594 ALA N . 19317 1
698 . 1 1 60 60 ALA H H 1 7.699 . . 1 . . . A 595 ALA HN . 19317 1
699 . 1 1 60 60 ALA HA H 1 4.030 . . 1 . . . A 595 ALA HA . 19317 1
700 . 1 1 60 60 ALA HB1 H 1 0.634 . . 1 . . . A 595 ALA HB1 . 19317 1
701 . 1 1 60 60 ALA HB2 H 1 0.634 . . 1 . . . A 595 ALA HB2 . 19317 1
702 . 1 1 60 60 ALA HB3 H 1 0.634 . . 1 . . . A 595 ALA HB3 . 19317 1
703 . 1 1 60 60 ALA C C 13 179.834 . . . . . . A 595 ALA C . 19317 1
704 . 1 1 60 60 ALA CA C 13 54.702 . . 1 . . . A 595 ALA CA . 19317 1
705 . 1 1 60 60 ALA CB C 13 17.878 . . 1 . . . A 595 ALA CB . 19317 1
706 . 1 1 60 60 ALA N N 15 118.593 . . 1 . . . A 595 ALA N . 19317 1
707 . 1 1 61 61 TYR H H 1 8.204 . . 1 . . . A 596 TYR HN . 19317 1
708 . 1 1 61 61 TYR HA H 1 5.361 . . 1 . . . A 596 TYR HA . 19317 1
709 . 1 1 61 61 TYR HB2 H 1 2.816 . . . . . . A 596 TYR HB2 . 19317 1
710 . 1 1 61 61 TYR HB3 H 1 3.843 . . 2 . . . A 596 TYR HB3 . 19317 1
711 . 1 1 61 61 TYR HD1 H 1 7.031 . . . . . . A 596 TYR HD1 . 19317 1
712 . 1 1 61 61 TYR HD2 H 1 7.031 . . . . . . A 596 TYR HD2 . 19317 1
713 . 1 1 61 61 TYR HE1 H 1 6.541 . . . . . . A 596 TYR HE1 . 19317 1
714 . 1 1 61 61 TYR HE2 H 1 6.541 . . . . . . A 596 TYR HE2 . 19317 1
715 . 1 1 61 61 TYR C C 13 176.882 . . . . . . A 596 TYR C . 19317 1
716 . 1 1 61 61 TYR CA C 13 56.021 . . 1 . . . A 596 TYR CA . 19317 1
717 . 1 1 61 61 TYR CB C 13 40.758 . . 1 . . . A 596 TYR CB . 19317 1
718 . 1 1 61 61 TYR CD1 C 13 132.714 . . . . . . A 596 TYR CD1 . 19317 1
719 . 1 1 61 61 TYR CD2 C 13 132.714 . . . . . . A 596 TYR CD2 . 19317 1
720 . 1 1 61 61 TYR CE1 C 13 117.892 . . . . . . A 596 TYR CE1 . 19317 1
721 . 1 1 61 61 TYR CE2 C 13 117.892 . . . . . . A 596 TYR CE2 . 19317 1
722 . 1 1 61 61 TYR N N 15 112.428 . . 1 . . . A 596 TYR N . 19317 1
723 . 1 1 62 62 GLY H H 1 8.212 . . 1 . . . A 597 GLY HN . 19317 1
724 . 1 1 62 62 GLY HA2 H 1 3.373 . . . . . . A 597 GLY HA2 . 19317 1
725 . 1 1 62 62 GLY HA3 H 1 3.978 . . 2 . . . A 597 GLY HA3 . 19317 1
726 . 1 1 62 62 GLY C C 13 174.011 . . . . . . A 597 GLY C . 19317 1
727 . 1 1 62 62 GLY CA C 13 48.807 . . 1 . . . A 597 GLY CA . 19317 1
728 . 1 1 62 62 GLY N N 15 108.007 . . 1 . . . A 597 GLY N . 19317 1
729 . 1 1 63 63 ASP H H 1 8.589 . . 1 . . . A 598 ASP HN . 19317 1
730 . 1 1 63 63 ASP HA H 1 4.307 . . 1 . . . A 598 ASP HA . 19317 1
731 . 1 1 63 63 ASP HB2 H 1 2.707 . . 2 . . . A 598 ASP HB2 . 19317 1
732 . 1 1 63 63 ASP HB3 H 1 2.707 . . 2 . . . A 598 ASP HB . 19317 1
733 . 1 1 63 63 ASP C C 13 179.400 . . . . . . A 598 ASP C . 19317 1
734 . 1 1 63 63 ASP CA C 13 58.150 . . 1 . . . A 598 ASP CA . 19317 1
735 . 1 1 63 63 ASP CB C 13 39.843 . . 1 . . . A 598 ASP CB . 19317 1
736 . 1 1 63 63 ASP N N 15 119.333 . . 1 . . . A 598 ASP N . 19317 1
737 . 1 1 64 64 GLU H H 1 8.033 . . 1 . . . A 599 GLU HN . 19317 1
738 . 1 1 64 64 GLU HA H 1 3.949 . . 1 . . . A 599 GLU HA . 19317 1
739 . 1 1 64 64 GLU HB2 H 1 2.161 . . 2 . . . A 599 GLU HB2 . 19317 1
740 . 1 1 64 64 GLU HB3 H 1 2.161 . . 2 . . . A 599 GLU HB . 19317 1
741 . 1 1 64 64 GLU HG2 H 1 2.422 . . . . . . A 599 GLU HG2 . 19317 1
742 . 1 1 64 64 GLU HG3 H 1 2.650 . . 2 . . . A 599 GLU HG3 . 19317 1
743 . 1 1 64 64 GLU C C 13 179.061 . . . . . . A 599 GLU C . 19317 1
744 . 1 1 64 64 GLU CA C 13 59.860 . . 1 . . . A 599 GLU CA . 19317 1
745 . 1 1 64 64 GLU CB C 13 29.949 . . 1 . . . A 599 GLU CB . 19317 1
746 . 1 1 64 64 GLU CG C 13 37.734 . . 1 . . . A 599 GLU CG . 19317 1
747 . 1 1 64 64 GLU N N 15 119.736 . . 1 . . . A 599 GLU N . 19317 1
748 . 1 1 65 65 VAL H H 1 7.943 . . 1 . . . A 600 VAL HN . 19317 1
749 . 1 1 65 65 VAL HA H 1 2.611 . . 1 . . . A 600 VAL HA . 19317 1
750 . 1 1 65 65 VAL HB H 1 1.710 . . 1 . . . A 600 VAL HB . 19317 1
751 . 1 1 65 65 VAL HG11 H 1 0.454 . . 2 . . . A 600 VAL HG11 . 19317 1
752 . 1 1 65 65 VAL HG12 H 1 0.454 . . 2 . . . A 600 VAL HG12 . 19317 1
753 . 1 1 65 65 VAL HG13 H 1 0.454 . . 2 . . . A 600 VAL HG13 . 19317 1
754 . 1 1 65 65 VAL HG21 H 1 0.254 . . 2 . . . A 600 VAL HG21 . 19317 1
755 . 1 1 65 65 VAL HG22 H 1 0.254 . . 2 . . . A 600 VAL HG22 . 19317 1
756 . 1 1 65 65 VAL HG23 H 1 0.254 . . 2 . . . A 600 VAL HG23 . 19317 1
757 . 1 1 65 65 VAL C C 13 177.589 . . . . . . A 600 VAL C . 19317 1
758 . 1 1 65 65 VAL CA C 13 66.557 . . 1 . . . A 600 VAL CA . 19317 1
759 . 1 1 65 65 VAL CB C 13 30.962 . . 1 . . . A 600 VAL CB . 19317 1
760 . 1 1 65 65 VAL CG1 C 13 21.678 . . 2 . . . A 600 VAL CG1 . 19317 1
761 . 1 1 65 65 VAL CG2 C 13 22.755 . . 2 . . . A 600 VAL CG2 . 19317 1
762 . 1 1 65 65 VAL N N 15 119.541 . . 1 . . . A 600 VAL N . 19317 1
763 . 1 1 66 66 LEU H H 1 8.236 . . 1 . . . A 601 LEU HN . 19317 1
764 . 1 1 66 66 LEU HA H 1 3.648 . . 1 . . . A 601 LEU HA . 19317 1
765 . 1 1 66 66 LEU HB2 H 1 1.164 . . . . . . A 601 LEU HB2 . 19317 1
766 . 1 1 66 66 LEU HB3 H 1 1.719 . . 2 . . . A 601 LEU HB3 . 19317 1
767 . 1 1 66 66 LEU HG H 1 1.514 . . 1 . . . A 601 LEU HG . 19317 1
768 . 1 1 66 66 LEU HD11 H 1 0.343 . . 2 . . . A 601 LEU HD11 . 19317 1
769 . 1 1 66 66 LEU HD12 H 1 0.343 . . 2 . . . A 601 LEU HD12 . 19317 1
770 . 1 1 66 66 LEU HD13 H 1 0.343 . . 2 . . . A 601 LEU HD13 . 19317 1
771 . 1 1 66 66 LEU HD21 H 1 0.152 . . 2 . . . A 601 LEU HD21 . 19317 1
772 . 1 1 66 66 LEU HD22 H 1 0.152 . . 2 . . . A 601 LEU HD22 . 19317 1
773 . 1 1 66 66 LEU HD23 H 1 0.152 . . 2 . . . A 601 LEU HD23 . 19317 1
774 . 1 1 66 66 LEU C C 13 179.595 . . . . . . A 601 LEU C . 19317 1
775 . 1 1 66 66 LEU CA C 13 57.688 . . 1 . . . A 601 LEU CA . 19317 1
776 . 1 1 66 66 LEU CB C 13 40.360 . . 1 . . . A 601 LEU CB . 19317 1
777 . 1 1 66 66 LEU CG C 13 25.918 . . 1 . . . A 601 LEU CG . 19317 1
778 . 1 1 66 66 LEU CD1 C 13 22.329 . . 2 . . . A 601 LEU CD1 . 19317 1
779 . 1 1 66 66 LEU CD2 C 13 24.568 . . 2 . . . A 601 LEU CD2 . 19317 1
780 . 1 1 66 66 LEU N N 15 117.080 . . 1 . . . A 601 LEU N . 19317 1
781 . 1 1 67 67 GLN H H 1 7.522 . . 1 . . . A 602 GLN HN . 19317 1
782 . 1 1 67 67 GLN HA H 1 3.814 . . 1 . . . A 602 GLN HA . 19317 1
783 . 1 1 67 67 GLN HB2 H 1 2.256 . . 2 . . . A 602 GLN HB2 . 19317 1
784 . 1 1 67 67 GLN HB3 H 1 2.256 . . 2 . . . A 602 GLN HB . 19317 1
785 . 1 1 67 67 GLN HG2 H 1 2.307 . . 2 . . . A 602 GLN HG2 . 19317 1
786 . 1 1 67 67 GLN HG3 H 1 2.307 . . 2 . . . A 602 GLN HG . 19317 1
787 . 1 1 67 67 GLN C C 13 176.797 . . . . . . A 602 GLN C . 19317 1
788 . 1 1 67 67 GLN CA C 13 58.616 . . 1 . . . A 602 GLN CA . 19317 1
789 . 1 1 67 67 GLN CB C 13 27.911 . . 1 . . . A 602 GLN CB . 19317 1
790 . 1 1 67 67 GLN N N 15 120.179 . . 1 . . . A 602 GLN N . 19317 1
791 . 1 1 68 68 VAL H H 1 7.555 . . 1 . . . A 603 VAL HN . 19317 1
792 . 1 1 68 68 VAL HA H 1 3.625 . . 1 . . . A 603 VAL HA . 19317 1
793 . 1 1 68 68 VAL HB H 1 1.948 . . 1 . . . A 603 VAL HB . 19317 1
794 . 1 1 68 68 VAL HG11 H 1 0.825 . . 2 . . . A 603 VAL HG11 . 19317 1
795 . 1 1 68 68 VAL HG12 H 1 0.825 . . 2 . . . A 603 VAL HG12 . 19317 1
796 . 1 1 68 68 VAL HG13 H 1 0.825 . . 2 . . . A 603 VAL HG13 . 19317 1
797 . 1 1 68 68 VAL HG21 H 1 0.727 . . 2 . . . A 603 VAL HG21 . 19317 1
798 . 1 1 68 68 VAL HG22 H 1 0.727 . . 2 . . . A 603 VAL HG22 . 19317 1
799 . 1 1 68 68 VAL HG23 H 1 0.727 . . 2 . . . A 603 VAL HG23 . 19317 1
800 . 1 1 68 68 VAL C C 13 179.235 . . . . . . A 603 VAL C . 19317 1
801 . 1 1 68 68 VAL CA C 13 66.216 . . 1 . . . A 603 VAL CA . 19317 1
802 . 1 1 68 68 VAL CB C 13 31.248 . . 1 . . . A 603 VAL CB . 19317 1
803 . 1 1 68 68 VAL CG1 C 13 22.383 . . . . . . A 603 VAL CG1 . 19317 1
804 . 1 1 68 68 VAL N N 15 120.566 . . 1 . . . A 603 VAL N . 19317 1
805 . 1 1 69 69 VAL H H 1 7.842 . . 1 . . . A 604 VAL HN . 19317 1
806 . 1 1 69 69 VAL HA H 1 3.514 . . 1 . . . A 604 VAL HA . 19317 1
807 . 1 1 69 69 VAL HB H 1 2.109 . . 1 . . . A 604 VAL HB . 19317 1
808 . 1 1 69 69 VAL HG11 H 1 0.851 . . 2 . . . A 604 VAL HG11 . 19317 1
809 . 1 1 69 69 VAL HG12 H 1 0.851 . . 2 . . . A 604 VAL HG12 . 19317 1
810 . 1 1 69 69 VAL HG13 H 1 0.851 . . 2 . . . A 604 VAL HG13 . 19317 1
811 . 1 1 69 69 VAL HG21 H 1 0.687 . . 2 . . . A 604 VAL HG21 . 19317 1
812 . 1 1 69 69 VAL HG22 H 1 0.687 . . 2 . . . A 604 VAL HG22 . 19317 1
813 . 1 1 69 69 VAL HG23 H 1 0.687 . . 2 . . . A 604 VAL HG23 . 19317 1
814 . 1 1 69 69 VAL C C 13 179.489 . . . . . . A 604 VAL C . 19317 1
815 . 1 1 69 69 VAL CA C 13 66.221 . . 1 . . . A 604 VAL CA . 19317 1
816 . 1 1 69 69 VAL CB C 13 31.501 . . 1 . . . A 604 VAL CB . 19317 1
817 . 1 1 69 69 VAL CG1 C 13 21.035 . . . . . . A 604 VAL CG1 . 19317 1
818 . 1 1 69 69 VAL N N 15 117.926 . . 1 . . . A 604 VAL N . 19317 1
819 . 1 1 70 70 ARG H H 1 8.170 . . 1 . . . A 605 ARG HN . 19317 1
820 . 1 1 70 70 ARG HA H 1 4.269 . . 1 . . . A 605 ARG HA . 19317 1
821 . 1 1 70 70 ARG HB2 H 1 2.101 . . . . . . A 605 ARG HB2 . 19317 1
822 . 1 1 70 70 ARG HB3 H 1 1.430 . . 2 . . . A 605 ARG HB3 . 19317 1
823 . 1 1 70 70 ARG HG2 H 1 1.997 . . . . . . A 605 ARG HG2 . 19317 1
824 . 1 1 70 70 ARG HD2 H 1 3.168 . . 2 . . . A 605 ARG HD2 . 19317 1
825 . 1 1 70 70 ARG HD3 H 1 3.168 . . 2 . . . A 605 ARG HD . 19317 1
826 . 1 1 70 70 ARG C C 13 179.042 . . . . . . A 605 ARG C . 19317 1
827 . 1 1 70 70 ARG CA C 13 60.040 . . 1 . . . A 605 ARG CA . 19317 1
828 . 1 1 70 70 ARG CB C 13 30.911 . . 1 . . . A 605 ARG CB . 19317 1
829 . 1 1 70 70 ARG N N 15 121.237 . . 1 . . . A 605 ARG N . 19317 1
830 . 1 1 71 71 ASP H H 1 8.507 . . 1 . . . A 606 ASP HN . 19317 1
831 . 1 1 71 71 ASP HA H 1 4.521 . . 1 . . . A 606 ASP HA . 19317 1
832 . 1 1 71 71 ASP HB2 H 1 2.739 . . 2 . . . A 606 ASP HB2 . 19317 1
833 . 1 1 71 71 ASP HB3 H 1 2.739 . . 2 . . . A 606 ASP HB . 19317 1
834 . 1 1 71 71 ASP C C 13 177.957 . . . . . . A 606 ASP C . 19317 1
835 . 1 1 71 71 ASP CA C 13 56.210 . . 1 . . . A 606 ASP CA . 19317 1
836 . 1 1 71 71 ASP CB C 13 40.419 . . 1 . . . A 606 ASP CB . 19317 1
837 . 1 1 71 71 ASP N N 15 119.059 . . 1 . . . A 606 ASP N . 19317 1
838 . 1 1 72 72 SER H H 1 7.738 . . 1 . . . A 607 SER HN . 19317 1
839 . 1 1 72 72 SER HA H 1 4.525 . . 1 . . . A 607 SER HA . 19317 1
840 . 1 1 72 72 SER HB2 H 1 3.926 . . 2 . . . A 607 SER HB2 . 19317 1
841 . 1 1 72 72 SER HB3 H 1 3.926 . . 2 . . . A 607 SER HB . 19317 1
842 . 1 1 72 72 SER C C 13 174.969 . . . . . . A 607 SER C . 19317 1
843 . 1 1 72 72 SER CA C 13 59.329 . . 1 . . . A 607 SER CA . 19317 1
844 . 1 1 72 72 SER CB C 13 64.121 . . 1 . . . A 607 SER CB . 19317 1
845 . 1 1 72 72 SER N N 15 114.635 . . 1 . . . A 607 SER N . 19317 1
846 . 1 1 73 73 SER H H 1 7.928 . . 1 . . . A 608 SER HN . 19317 1
847 . 1 1 73 73 SER HA H 1 4.511 . . 1 . . . A 608 SER HA . 19317 1
848 . 1 1 73 73 SER HB2 H 1 3.967 . . 2 . . . A 608 SER HB2 . 19317 1
849 . 1 1 73 73 SER HB3 H 1 3.967 . . 2 . . . A 608 SER HB . 19317 1
850 . 1 1 73 73 SER C C 13 174.899 . . . . . . A 608 SER C . 19317 1
851 . 1 1 73 73 SER CA C 13 59.111 . . 1 . . . A 608 SER CA . 19317 1
852 . 1 1 73 73 SER CB C 13 64.052 . . 1 . . . A 608 SER CB . 19317 1
853 . 1 1 73 73 SER N N 15 116.611 . . 1 . . . A 608 SER N . 19317 1
854 . 1 1 74 74 GLY H H 1 8.350 . . 1 . . . A 609 GLY HN . 19317 1
855 . 1 1 74 74 GLY HA2 H 1 4.006 . . . . . . A 609 GLY HA2 . 19317 1
856 . 1 1 74 74 GLY HA3 H 1 4.830 . . 2 . . . A 609 GLY HA3 . 19317 1
857 . 1 1 74 74 GLY C C 13 173.762 . . . . . . A 609 GLY C . 19317 1
858 . 1 1 74 74 GLY CA C 13 45.319 . . 1 . . . A 609 GLY CA . 19317 1
859 . 1 1 74 74 GLY N N 15 110.832 . . 1 . . . A 609 GLY N . 19317 1
860 . 1 1 75 75 GLY H H 1 8.037 . . 1 . . . A 610 GLY HN . 19317 1
861 . 1 1 75 75 GLY HA2 H 1 3.768 . . 2 . . . A 610 GLY HA2 . 19317 1
862 . 1 1 75 75 GLY HA3 H 1 3.768 . . 2 . . . A 610 GLY HA . 19317 1
863 . 1 1 75 75 GLY CA C 13 45.895 . . 1 . . . A 610 GLY CA . 19317 1
864 . 1 1 75 75 GLY N N 15 115.224 . . 1 . . . A 610 GLY N . 19317 1
stop_
save_