data_15105
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15105
_Entry.Title
;
Solution Structure of the first Clip domain in PAP2 (CASP Target)
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2007-01-22
_Entry.Accession_date 2007-01-22
_Entry.Last_release_date 2008-06-25
_Entry.Original_release_date 2008-06-25
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version .
_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.Entry_ID
1 R. Huang R. D. . 15105
2 Z. Lv Z. Q. . 15105
3 H. Dai H. E. . 15105
4 D. Velde D. V. . 15105
5 O. Prakash O. . . 15105
6 H. Jiang H. B. . 15105
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
BETA-SHEET BETA-SHEET 15105
'DOUBLE HELIX' 'DOUBLE HELIX' 15105
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 15105
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 213 15105
'15N chemical shifts' 50 15105
'1H chemical shifts' 333 15105
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 . . 2008-06-25 2007-01-22 original author . 15105
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 15106 'Clip, second domain' 15105
PDB 2IKD 'BMRB Entry Tracking System' 15105
stop_
save_
###############
# Citations #
###############
save_citations
_Citation.Sf_category citations
_Citation.Sf_framecode citations
_Citation.Entry_ID 15105
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 17880110
_Citation.Full_citation .
_Citation.Title 'The solution structure of clip domains from Manduca sexta prophenoloxidase activating proteinase-2'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Biochemistry
_Citation.Journal_name_full .
_Citation.Journal_volume 46
_Citation.Journal_issue 41
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD 0353
_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 11431
_Citation.Page_last 11439
_Citation.Year 2007
_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 R. Huang R. D. . 15105 1
2 Z. Lu Z. Q. . 15105 1
3 H. Dai H. E. . 15105 1
4 D. Velde D. V. . 15105 1
5 O. Prakash O. . . 15105 1
6 H. Jiang H. B. . 15105 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 15105
_Assembly.ID 1
_Assembly.Name 'clip monomer'
_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 'clip domain' 1 $Prophenoloxidase_activating_proteinase-2 A . yes native no no . . . 15105 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 disulfide single . 1 . 1 CYS 13 13 SG . 1 . 1 CYS 64 64 SG . . . . . . . . . . 15105 1
2 disulfide single . 1 . 1 CYS 23 23 SG . 1 . 1 CYS 54 54 SG . . . . . . . . . . 15105 1
3 disulfide single . 1 . 1 CYS 29 29 SG . 1 . 1 CYS 65 65 SG . . . . . . . . . . 15105 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_Prophenoloxidase_activating_proteinase-2
_Entity.Sf_category entity
_Entity.Sf_framecode Prophenoloxidase_activating_proteinase-2
_Entity.Entry_ID 15105
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name Prophenoloxidase_activating_proteinase-2
_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
;
MHHHHHHAMGQACTLPNNDK
GTCKSLLQCDVASKIISKKP
RTAQDEKFLRESACGFDGQT
PKVCCP
;
_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 66
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all disulfide bound'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment 'first Clip domain'
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2014-05-12
loop_
_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
no PDB 2IKD . "Solution Structure Of The First Clip Domain In Pap2" . . . . . 100.00 66 100.00 100.00 1.16e-40 . . . . 15105 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'Prophenoloxidase activating proteinase-2' RCSB_NAME 15105 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . 15105 1
2 . HIS . 15105 1
3 . HIS . 15105 1
4 . HIS . 15105 1
5 . HIS . 15105 1
6 . HIS . 15105 1
7 . HIS . 15105 1
8 . ALA . 15105 1
9 . MET . 15105 1
10 . GLY . 15105 1
11 . GLN . 15105 1
12 . ALA . 15105 1
13 . CYS . 15105 1
14 . THR . 15105 1
15 . LEU . 15105 1
16 . PRO . 15105 1
17 . ASN . 15105 1
18 . ASN . 15105 1
19 . ASP . 15105 1
20 . LYS . 15105 1
21 . GLY . 15105 1
22 . THR . 15105 1
23 . CYS . 15105 1
24 . LYS . 15105 1
25 . SER . 15105 1
26 . LEU . 15105 1
27 . LEU . 15105 1
28 . GLN . 15105 1
29 . CYS . 15105 1
30 . ASP . 15105 1
31 . VAL . 15105 1
32 . ALA . 15105 1
33 . SER . 15105 1
34 . LYS . 15105 1
35 . ILE . 15105 1
36 . ILE . 15105 1
37 . SER . 15105 1
38 . LYS . 15105 1
39 . LYS . 15105 1
40 . PRO . 15105 1
41 . ARG . 15105 1
42 . THR . 15105 1
43 . ALA . 15105 1
44 . GLN . 15105 1
45 . ASP . 15105 1
46 . GLU . 15105 1
47 . LYS . 15105 1
48 . PHE . 15105 1
49 . LEU . 15105 1
50 . ARG . 15105 1
51 . GLU . 15105 1
52 . SER . 15105 1
53 . ALA . 15105 1
54 . CYS . 15105 1
55 . GLY . 15105 1
56 . PHE . 15105 1
57 . ASP . 15105 1
58 . GLY . 15105 1
59 . GLN . 15105 1
60 . THR . 15105 1
61 . PRO . 15105 1
62 . LYS . 15105 1
63 . VAL . 15105 1
64 . CYS . 15105 1
65 . CYS . 15105 1
66 . PRO . 15105 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 15105 1
. HIS 2 2 15105 1
. HIS 3 3 15105 1
. HIS 4 4 15105 1
. HIS 5 5 15105 1
. HIS 6 6 15105 1
. HIS 7 7 15105 1
. ALA 8 8 15105 1
. MET 9 9 15105 1
. GLY 10 10 15105 1
. GLN 11 11 15105 1
. ALA 12 12 15105 1
. CYS 13 13 15105 1
. THR 14 14 15105 1
. LEU 15 15 15105 1
. PRO 16 16 15105 1
. ASN 17 17 15105 1
. ASN 18 18 15105 1
. ASP 19 19 15105 1
. LYS 20 20 15105 1
. GLY 21 21 15105 1
. THR 22 22 15105 1
. CYS 23 23 15105 1
. LYS 24 24 15105 1
. SER 25 25 15105 1
. LEU 26 26 15105 1
. LEU 27 27 15105 1
. GLN 28 28 15105 1
. CYS 29 29 15105 1
. ASP 30 30 15105 1
. VAL 31 31 15105 1
. ALA 32 32 15105 1
. SER 33 33 15105 1
. LYS 34 34 15105 1
. ILE 35 35 15105 1
. ILE 36 36 15105 1
. SER 37 37 15105 1
. LYS 38 38 15105 1
. LYS 39 39 15105 1
. PRO 40 40 15105 1
. ARG 41 41 15105 1
. THR 42 42 15105 1
. ALA 43 43 15105 1
. GLN 44 44 15105 1
. ASP 45 45 15105 1
. GLU 46 46 15105 1
. LYS 47 47 15105 1
. PHE 48 48 15105 1
. LEU 49 49 15105 1
. ARG 50 50 15105 1
. GLU 51 51 15105 1
. SER 52 52 15105 1
. ALA 53 53 15105 1
. CYS 54 54 15105 1
. GLY 55 55 15105 1
. PHE 56 56 15105 1
. ASP 57 57 15105 1
. GLY 58 58 15105 1
. GLN 59 59 15105 1
. THR 60 60 15105 1
. PRO 61 61 15105 1
. LYS 62 62 15105 1
. VAL 63 63 15105 1
. CYS 64 64 15105 1
. CYS 65 65 15105 1
. PRO 66 66 15105 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 15105
_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 $Prophenoloxidase_activating_proteinase-2 . . organism . 'Manduca sexta' 'Tobacco hawkmoth' . . . . . . . . . . . . . . . . . . . . . . PAP-2 . . . . 15105 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 15105
_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 $Prophenoloxidase_activating_proteinase-2 . 'recombinant technology' 'Escherichia coli' bacteria . . . . M15 . . . . . . . . . . . . . . . pQE60 . . . . . . 15105 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample
_Sample.Sf_category sample
_Sample.Sf_framecode sample
_Sample.Entry_ID 15105
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
1 mM Dual-Clip domain U-15N,13C,
100 mM phosphate buffer NA,
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 'Prophenoloxidase activating proteinase-2' '[U-100% 13C; U-100% 15N]' . . 1 $Prophenoloxidase_activating_proteinase-2 . . 1.0 . . mM . . . . 15105 1
2 'phosphate buffer' 'natural abundance' . . . . . . 100 . . mM . . . . 15105 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 15105
_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
pH 8.0 . pH 15105 1
pressure 1 . atm 15105 1
temperature 298 . K 15105 1
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Software.Sf_category software
_Software.Sf_framecode XWINNMR
_Software.Entry_ID 15105
_Software.ID 1
_Software.Name xwinnmr
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Bruker . . 15105 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 15105 1
stop_
save_
save_Sparky
_Software.Sf_category software
_Software.Sf_framecode Sparky
_Software.Entry_ID 15105
_Software.ID 2
_Software.Name SPARKY
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . 15105 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 15105 2
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 15105
_Software.ID 3
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15105 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 15105 3
stop_
save_
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 15105
_Software.ID 4
_Software.Name CNS
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger, Adams, Clore, Gros, Nilges and Read' . . 15105 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 15105 4
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 15105
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
save_
save_800
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode 800
_NMR_spectrometer_list.Entry_ID 15105
_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 Bruker AVANCE . 800 . . . 15105 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 15105
_Experiment_list.ID 1
_Experiment_list.Details 'The structure was determined using triple-resonance NMR spectroscopy'
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_13C-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15105 1
2 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15105 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 15105
_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 13C-glucose carbons . . . . ppm 0 na indirect 0.251449530 . . . . . . . . . 15105 1
H 1 water protons . . . . ppm 0 na indirect 1 . . . . . . . . . 15105 1
N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 0 na indirect 0.10132918 . . . . . . . . . 15105 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 15105
_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 $sample . 15105 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 11 11 GLN H H 1 7.74 . . . . . . . 11 GLN H . 15105 1
2 . 1 1 11 11 GLN HA H 1 4.29 . . . . . . . 11 GLN HA . 15105 1
3 . 1 1 11 11 GLN HB2 H 1 2.07 . . . . . . . 11 GLN HB2 . 15105 1
4 . 1 1 11 11 GLN HB3 H 1 1.94 . . . . . . . 11 GLN HB3 . 15105 1
5 . 1 1 11 11 GLN HG2 H 1 2.34 . . . . . . . 11 GLN HG2 . 15105 1
6 . 1 1 11 11 GLN HE21 H 1 7.54 . . . . . . . 11 GLN HE21 . 15105 1
7 . 1 1 11 11 GLN HE22 H 1 6.86 . . . . . . . 11 GLN HE22 . 15105 1
8 . 1 1 11 11 GLN C C 13 175.2 . . . . . . . 11 GLN C . 15105 1
9 . 1 1 11 11 GLN CA C 13 55.4 . . . . . . . 11 GLN CA . 15105 1
10 . 1 1 11 11 GLN CB C 13 29.4 . . . . . . . 11 GLN CB . 15105 1
11 . 1 1 11 11 GLN CG C 13 33.6 . . . . . . . 11 GLN CG . 15105 1
12 . 1 1 11 11 GLN NE2 N 15 112.4 . . . . . . . 11 GLN NE2 . 15105 1
13 . 1 1 12 12 ALA H H 1 8.27 . . . . . . . 12 ALA H . 15105 1
14 . 1 1 12 12 ALA HA H 1 4.53 . . . . . . . 12 ALA HA . 15105 1
15 . 1 1 12 12 ALA HB1 H 1 1.42 . . . . . . . 12 ALA HB . 15105 1
16 . 1 1 12 12 ALA HB2 H 1 1.42 . . . . . . . 12 ALA HB . 15105 1
17 . 1 1 12 12 ALA HB3 H 1 1.42 . . . . . . . 12 ALA HB . 15105 1
18 . 1 1 12 12 ALA C C 13 176.7 . . . . . . . 12 ALA C . 15105 1
19 . 1 1 12 12 ALA CA C 13 52.9 . . . . . . . 12 ALA CA . 15105 1
20 . 1 1 12 12 ALA CB C 13 19.3 . . . . . . . 12 ALA CB . 15105 1
21 . 1 1 12 12 ALA N N 15 126.3 . . . . . . . 12 ALA N . 15105 1
22 . 1 1 13 13 CYS H H 1 8.26 . . . . . . . 13 CYS H . 15105 1
23 . 1 1 13 13 CYS HA H 1 4.89 . . . . . . . 13 CYS HA . 15105 1
24 . 1 1 13 13 CYS HB2 H 1 3.12 . . . . . . . 13 CYS HB2 . 15105 1
25 . 1 1 13 13 CYS HB3 H 1 3.23 . . . . . . . 13 CYS HB3 . 15105 1
26 . 1 1 13 13 CYS C C 13 171.8 . . . . . . . 13 CYS C . 15105 1
27 . 1 1 13 13 CYS CA C 13 54.6 . . . . . . . 13 CYS CA . 15105 1
28 . 1 1 13 13 CYS CB C 13 46.8 . . . . . . . 13 CYS CB . 15105 1
29 . 1 1 13 13 CYS N N 15 117.2 . . . . . . . 13 CYS N . 15105 1
30 . 1 1 14 14 THR H H 1 8.74 . . . . . . . 14 THR H . 15105 1
31 . 1 1 14 14 THR HA H 1 4.64 . . . . . . . 14 THR HA . 15105 1
32 . 1 1 14 14 THR HB H 1 3.84 . . . . . . . 14 THR HB . 15105 1
33 . 1 1 14 14 THR HG21 H 1 1.25 . . . . . . . 14 THR HG1 . 15105 1
34 . 1 1 14 14 THR HG22 H 1 1.25 . . . . . . . 14 THR HG1 . 15105 1
35 . 1 1 14 14 THR HG23 H 1 1.25 . . . . . . . 14 THR HG1 . 15105 1
36 . 1 1 14 14 THR C C 13 173.8 . . . . . . . 14 THR C . 15105 1
37 . 1 1 14 14 THR CA C 13 61.7 . . . . . . . 14 THR CA . 15105 1
38 . 1 1 14 14 THR CB C 13 70.2 . . . . . . . 14 THR CB . 15105 1
39 . 1 1 14 14 THR CG2 C 13 21.8 . . . . . . . 14 THR CG2 . 15105 1
40 . 1 1 14 14 THR N N 15 117.8 . . . . . . . 14 THR N . 15105 1
41 . 1 1 15 15 LEU H H 1 8.97 . . . . . . . 15 LEU H . 15105 1
42 . 1 1 15 15 LEU HA H 1 4.19 . . . . . . . 15 LEU HA . 15105 1
43 . 1 1 15 15 LEU HB2 H 1 1.40 . . . . . . . 15 LEU HB2 . 15105 1
44 . 1 1 15 15 LEU HB3 H 1 1.56 . . . . . . . 15 LEU HB3 . 15105 1
45 . 1 1 15 15 LEU HG H 1 1.38 . . . . . . . 15 LEU HG . 15105 1
46 . 1 1 15 15 LEU HD11 H 1 0.88 . . . . . . . 15 LEU HD1 . 15105 1
47 . 1 1 15 15 LEU HD12 H 1 0.88 . . . . . . . 15 LEU HD1 . 15105 1
48 . 1 1 15 15 LEU HD13 H 1 0.88 . . . . . . . 15 LEU HD1 . 15105 1
49 . 1 1 15 15 LEU HD21 H 1 0.76 . . . . . . . 15 LEU HD2 . 15105 1
50 . 1 1 15 15 LEU HD22 H 1 0.76 . . . . . . . 15 LEU HD2 . 15105 1
51 . 1 1 15 15 LEU HD23 H 1 0.76 . . . . . . . 15 LEU HD2 . 15105 1
52 . 1 1 15 15 LEU CA C 13 54.8 . . . . . . . 15 LEU CA . 15105 1
53 . 1 1 15 15 LEU CB C 13 42.3 . . . . . . . 15 LEU CB . 15105 1
54 . 1 1 15 15 LEU CG C 13 29.7 . . . . . . . 15 LEU CG . 15105 1
55 . 1 1 15 15 LEU CD1 C 13 26.0 . . . . . . . 15 LEU CD1 . 15105 1
56 . 1 1 15 15 LEU CD2 C 13 26.3 . . . . . . . 15 LEU CD2 . 15105 1
57 . 1 1 15 15 LEU N N 15 128.7 . . . . . . . 15 LEU N . 15105 1
58 . 1 1 16 16 PRO HA H 1 4.29 . . . . . . . 16 PRO HA . 15105 1
59 . 1 1 16 16 PRO HB2 H 1 2.36 . . . . . . . 16 PRO HB2 . 15105 1
60 . 1 1 16 16 PRO HB3 H 1 1.79 . . . . . . . 16 PRO HB3 . 15105 1
61 . 1 1 16 16 PRO HG2 H 1 1.63 . . . . . . . 16 PRO HG2 . 15105 1
62 . 1 1 16 16 PRO HD2 H 1 3.38 . . . . . . . 16 PRO HD2 . 15105 1
63 . 1 1 16 16 PRO HD3 H 1 2.88 . . . . . . . 16 PRO HD3 . 15105 1
64 . 1 1 16 16 PRO CA C 13 64.6 . . . . . . . 16 PRO CA . 15105 1
65 . 1 1 16 16 PRO CB C 13 31.7 . . . . . . . 16 PRO CB . 15105 1
66 . 1 1 16 16 PRO CG C 13 28.2 . . . . . . . 16 PRO CG . 15105 1
67 . 1 1 16 16 PRO CD C 13 50.6 . . . . . . . 16 PRO CD . 15105 1
68 . 1 1 17 17 ASN H H 1 7.41 . . . . . . . 17 ASN H . 15105 1
69 . 1 1 17 17 ASN HA H 1 4.60 . . . . . . . 17 ASN HA . 15105 1
70 . 1 1 17 17 ASN HB2 H 1 3.05 . . . . . . . 17 ASN HB2 . 15105 1
71 . 1 1 17 17 ASN HB3 H 1 2.81 . . . . . . . 17 ASN HB3 . 15105 1
72 . 1 1 17 17 ASN C C 13 175.7 . . . . . . . 17 ASN C . 15105 1
73 . 1 1 17 17 ASN CA C 13 52.2 . . . . . . . 17 ASN CA . 15105 1
74 . 1 1 17 17 ASN CB C 13 37.5 . . . . . . . 17 ASN CB . 15105 1
75 . 1 1 18 18 ASN H H 1 8.26 . . . . . . . 18 ASN H . 15105 1
76 . 1 1 18 18 ASN HA H 1 4.17 . . . . . . . 18 ASN HA . 15105 1
77 . 1 1 18 18 ASN HB2 H 1 3.01 . . . . . . . 18 ASN HB2 . 15105 1
78 . 1 1 18 18 ASN HB3 H 1 3.06 . . . . . . . 18 ASN HB3 . 15105 1
79 . 1 1 18 18 ASN HD21 H 1 7.52 . . . . . . . 18 ASN HD21 . 15105 1
80 . 1 1 18 18 ASN HD22 H 1 6.82 . . . . . . . 18 ASN HD22 . 15105 1
81 . 1 1 18 18 ASN C C 13 174.6 . . . . . . . 18 ASN C . 15105 1
82 . 1 1 18 18 ASN CA C 13 55.5 . . . . . . . 18 ASN CA . 15105 1
83 . 1 1 18 18 ASN CB C 13 37.4 . . . . . . . 18 ASN CB . 15105 1
84 . 1 1 18 18 ASN N N 15 111.8 . . . . . . . 18 ASN N . 15105 1
85 . 1 1 18 18 ASN ND2 N 15 112.9 . . . . . . . 18 ASN ND2 . 15105 1
86 . 1 1 19 19 ASP H H 1 7.45 . . . . . . . 19 ASP H . 15105 1
87 . 1 1 19 19 ASP HA H 1 4.72 . . . . . . . 19 ASP HA . 15105 1
88 . 1 1 19 19 ASP HB2 H 1 2.98 . . . . . . . 19 ASP HB2 . 15105 1
89 . 1 1 19 19 ASP HB3 H 1 2.75 . . . . . . . 19 ASP HB3 . 15105 1
90 . 1 1 19 19 ASP C C 13 174.7 . . . . . . . 19 ASP C . 15105 1
91 . 1 1 19 19 ASP CA C 13 54.7 . . . . . . . 19 ASP CA . 15105 1
92 . 1 1 19 19 ASP CB C 13 41.0 . . . . . . . 19 ASP CB . 15105 1
93 . 1 1 19 19 ASP N N 15 119.8 . . . . . . . 19 ASP N . 15105 1
94 . 1 1 20 20 LYS H H 1 8.63 . . . . . . . 20 LYS H . 15105 1
95 . 1 1 20 20 LYS HA H 1 4.66 . . . . . . . 20 LYS HA . 15105 1
96 . 1 1 20 20 LYS HB2 H 1 1.92 . . . . . . . 20 LYS HB2 . 15105 1
97 . 1 1 20 20 LYS HB3 H 1 1.82 . . . . . . . 20 LYS HB3 . 15105 1
98 . 1 1 20 20 LYS HG2 H 1 1.47 . . . . . . . 20 LYS HG2 . 15105 1
99 . 1 1 20 20 LYS HG3 H 1 1.53 . . . . . . . 20 LYS HG3 . 15105 1
100 . 1 1 20 20 LYS HD2 H 1 1.64 . . . . . . . 20 LYS HD2 . 15105 1
101 . 1 1 20 20 LYS HE2 H 1 2.96 . . . . . . . 20 LYS HE2 . 15105 1
102 . 1 1 20 20 LYS C C 13 176.8 . . . . . . . 20 LYS C . 15105 1
103 . 1 1 20 20 LYS CA C 13 56.1 . . . . . . . 20 LYS CA . 15105 1
104 . 1 1 20 20 LYS CB C 13 33.8 . . . . . . . 20 LYS CB . 15105 1
105 . 1 1 20 20 LYS CG C 13 24.9 . . . . . . . 20 LYS CG . 15105 1
106 . 1 1 20 20 LYS CD C 13 28.7 . . . . . . . 20 LYS CD . 15105 1
107 . 1 1 20 20 LYS N N 15 119.5 . . . . . . . 20 LYS N . 15105 1
108 . 1 1 21 21 GLY H H 1 8.36 . . . . . . . 21 GLY H . 15105 1
109 . 1 1 21 21 GLY HA2 H 1 4.66 . . . . . . . 21 GLY HA2 . 15105 1
110 . 1 1 21 21 GLY HA3 H 1 3.66 . . . . . . . 21 GLY HA3 . 15105 1
111 . 1 1 21 21 GLY C C 13 174.1 . . . . . . . 21 GLY C . 15105 1
112 . 1 1 21 21 GLY CA C 13 45.5 . . . . . . . 21 GLY CA . 15105 1
113 . 1 1 21 21 GLY N N 15 109.4 . . . . . . . 21 GLY N . 15105 1
114 . 1 1 22 22 THR H H 1 8.11 . . . . . . . 22 THR H . 15105 1
115 . 1 1 22 22 THR HA H 1 4.85 . . . . . . . 22 THR HA . 15105 1
116 . 1 1 22 22 THR HB H 1 3.72 . . . . . . . 22 THR HB . 15105 1
117 . 1 1 22 22 THR HG21 H 1 1.02 . . . . . . . 22 THR HG2 . 15105 1
118 . 1 1 22 22 THR HG22 H 1 1.02 . . . . . . . 22 THR HG2 . 15105 1
119 . 1 1 22 22 THR HG23 H 1 1.02 . . . . . . . 22 THR HG2 . 15105 1
120 . 1 1 22 22 THR C C 13 174.2 . . . . . . . 22 THR C . 15105 1
121 . 1 1 22 22 THR CA C 13 61.2 . . . . . . . 22 THR CA . 15105 1
122 . 1 1 22 22 THR CB C 13 71.9 . . . . . . . 22 THR CB . 15105 1
123 . 1 1 22 22 THR CG2 C 13 22.0 . . . . . . . 22 THR CG2 . 15105 1
124 . 1 1 22 22 THR N N 15 113.8 . . . . . . . 22 THR N . 15105 1
125 . 1 1 23 23 CYS H H 1 9.03 . . . . . . . 23 CYS H . 15105 1
126 . 1 1 23 23 CYS HA H 1 4.88 . . . . . . . 23 CYS HA . 15105 1
127 . 1 1 23 23 CYS HB2 H 1 2.94 . . . . . . . 23 CYS HB2 . 15105 1
128 . 1 1 23 23 CYS HB3 H 1 2.85 . . . . . . . 23 CYS HB3 . 15105 1
129 . 1 1 23 23 CYS C C 13 173.8 . . . . . . . 23 CYS C . 15105 1
130 . 1 1 23 23 CYS CA C 13 56.6 . . . . . . . 23 CYS CA . 15105 1
131 . 1 1 23 23 CYS CB C 13 41.1 . . . . . . . 23 CYS CB . 15105 1
132 . 1 1 23 23 CYS N N 15 126.3 . . . . . . . 23 CYS N . 15105 1
133 . 1 1 24 24 LYS H H 1 8.99 . . . . . . . 24 LYS H . 15105 1
134 . 1 1 24 24 LYS HA H 1 4.72 . . . . . . . 24 LYS HA . 15105 1
135 . 1 1 24 24 LYS HB2 H 1 1.83 . . . . . . . 24 LYS HB2 . 15105 1
136 . 1 1 24 24 LYS HB3 H 1 1.55 . . . . . . . 24 LYS HB3 . 15105 1
137 . 1 1 24 24 LYS HG2 H 1 1.37 . . . . . . . 24 LYS HG2 . 15105 1
138 . 1 1 24 24 LYS HD2 H 1 1.55 . . . . . . . 24 LYS HD2 . 15105 1
139 . 1 1 24 24 LYS HE2 H 1 2.85 . . . . . . . 24 LYS HE2 . 15105 1
140 . 1 1 24 24 LYS HE3 H 1 2.78 . . . . . . . 24 LYS HE3 . 15105 1
141 . 1 1 24 24 LYS C C 13 174.2 . . . . . . . 24 LYS C . 15105 1
142 . 1 1 24 24 LYS CA C 13 54.8 . . . . . . . 24 LYS CA . 15105 1
143 . 1 1 24 24 LYS CB C 13 37.2 . . . . . . . 24 LYS CB . 15105 1
144 . 1 1 24 24 LYS CG C 13 23.6 . . . . . . . 24 LYS CG . 15105 1
145 . 1 1 24 24 LYS CD C 13 29.9 . . . . . . . 24 LYS CD . 15105 1
146 . 1 1 24 24 LYS CE C 13 42.0 . . . . . . . 24 LYS CE . 15105 1
147 . 1 1 24 24 LYS N N 15 128.6 . . . . . . . 24 LYS N . 15105 1
148 . 1 1 25 25 SER H H 1 8.63 . . . . . . . 25 SER H . 15105 1
149 . 1 1 25 25 SER HA H 1 4.23 . . . . . . . 25 SER HA . 15105 1
150 . 1 1 25 25 SER HB2 H 1 3.96 . . . . . . . 25 SER HB2 . 15105 1
151 . 1 1 25 25 SER HB3 H 1 3.62 . . . . . . . 25 SER HB3 . 15105 1
152 . 1 1 25 25 SER C C 13 176.0 . . . . . . . 25 SER C . 15105 1
153 . 1 1 25 25 SER CA C 13 58.6 . . . . . . . 25 SER CA . 15105 1
154 . 1 1 25 25 SER CB C 13 63.5 . . . . . . . 25 SER CB . 15105 1
155 . 1 1 25 25 SER N N 15 114.2 . . . . . . . 25 SER N . 15105 1
156 . 1 1 26 26 LEU H H 1 8.81 . . . . . . . 26 LEU H . 15105 1
157 . 1 1 26 26 LEU HA H 1 3.82 . . . . . . . 26 LEU HA . 15105 1
158 . 1 1 26 26 LEU HB2 H 1 1.41 . . . . . . . 26 LEU HB2 . 15105 1
159 . 1 1 26 26 LEU HB3 H 1 1.56 . . . . . . . 26 LEU HB3 . 15105 1
160 . 1 1 26 26 LEU HG H 1 1.35 . . . . . . . 26 LEU HG . 15105 1
161 . 1 1 26 26 LEU HD11 H 1 0.79 . . . . . . . 26 LEU HD1 . 15105 1
162 . 1 1 26 26 LEU HD12 H 1 0.79 . . . . . . . 26 LEU HD1 . 15105 1
163 . 1 1 26 26 LEU HD13 H 1 0.79 . . . . . . . 26 LEU HD1 . 15105 1
164 . 1 1 26 26 LEU HD21 H 1 0.81 . . . . . . . 26 LEU HD2 . 15105 1
165 . 1 1 26 26 LEU HD22 H 1 0.81 . . . . . . . 26 LEU HD2 . 15105 1
166 . 1 1 26 26 LEU HD23 H 1 0.81 . . . . . . . 26 LEU HD2 . 15105 1
167 . 1 1 26 26 LEU C C 13 178.2 . . . . . . . 26 LEU C . 15105 1
168 . 1 1 26 26 LEU CA C 13 59.0 . . . . . . . 26 LEU CA . 15105 1
169 . 1 1 26 26 LEU CB C 13 43.1 . . . . . . . 26 LEU CB . 15105 1
170 . 1 1 26 26 LEU CD1 C 13 24.7 . . . . . . . 26 LEU CD1 . 15105 1
171 . 1 1 26 26 LEU N N 15 128.2 . . . . . . . 26 LEU N . 15105 1
172 . 1 1 27 27 LEU H H 1 7.64 . . . . . . . 27 LEU H . 15105 1
173 . 1 1 27 27 LEU HA H 1 4.05 . . . . . . . 27 LEU HA . 15105 1
174 . 1 1 27 27 LEU HB2 H 1 1.58 . . . . . . . 27 LEU HB2 . 15105 1
175 . 1 1 27 27 LEU HG H 1 1.59 . . . . . . . 27 LEU HG . 15105 1
176 . 1 1 27 27 LEU HD11 H 1 0.90 . . . . . . . 27 LEU HD1 . 15105 1
177 . 1 1 27 27 LEU HD12 H 1 0.90 . . . . . . . 27 LEU HD1 . 15105 1
178 . 1 1 27 27 LEU HD13 H 1 0.90 . . . . . . . 27 LEU HD1 . 15105 1
179 . 1 1 27 27 LEU HD21 H 1 0.83 . . . . . . . 27 LEU HD2 . 15105 1
180 . 1 1 27 27 LEU HD22 H 1 0.83 . . . . . . . 27 LEU HD2 . 15105 1
181 . 1 1 27 27 LEU HD23 H 1 0.83 . . . . . . . 27 LEU HD2 . 15105 1
182 . 1 1 27 27 LEU C C 13 178.4 . . . . . . . 27 LEU C . 15105 1
183 . 1 1 27 27 LEU CA C 13 56.4 . . . . . . . 27 LEU CA . 15105 1
184 . 1 1 27 27 LEU CB C 13 41.3 . . . . . . . 27 LEU CB . 15105 1
185 . 1 1 27 27 LEU CG C 13 27.3 . . . . . . . 27 LEU CG . 15105 1
186 . 1 1 27 27 LEU CD1 C 13 25.1 . . . . . . . 27 LEU CD1 . 15105 1
187 . 1 1 27 27 LEU CD2 C 13 22.6 . . . . . . . 27 LEU CD2 . 15105 1
188 . 1 1 27 27 LEU N N 15 113.2 . . . . . . . 27 LEU N . 15105 1
189 . 1 1 28 28 GLN H H 1 7.55 . . . . . . . 28 GLN H . 15105 1
190 . 1 1 28 28 GLN HA H 1 4.44 . . . . . . . 28 GLN HA . 15105 1
191 . 1 1 28 28 GLN HB2 H 1 2.32 . . . . . . . 28 GLN HB2 . 15105 1
192 . 1 1 28 28 GLN HB3 H 1 1.83 . . . . . . . 28 GLN HB3 . 15105 1
193 . 1 1 28 28 GLN HG2 H 1 2.29 . . . . . . . 28 GLN HG2 . 15105 1
194 . 1 1 28 28 GLN HG3 H 1 2.22 . . . . . . . 28 GLN HG3 . 15105 1
195 . 1 1 28 28 GLN C C 13 174.2 . . . . . . . 28 GLN C . 15105 1
196 . 1 1 28 28 GLN CA C 13 54.7 . . . . . . . 28 GLN CA . 15105 1
197 . 1 1 28 28 GLN CB C 13 29.5 . . . . . . . 28 GLN CB . 15105 1
198 . 1 1 28 28 GLN CG C 13 34.0 . . . . . . . 28 GLN CG . 15105 1
199 . 1 1 28 28 GLN N N 15 115.2 . . . . . . . 28 GLN N . 15105 1
200 . 1 1 29 29 CYS H H 1 7.70 . . . . . . . 29 CYS H . 15105 1
201 . 1 1 29 29 CYS HA H 1 5.15 . . . . . . . 29 CYS HA . 15105 1
202 . 1 1 29 29 CYS HB2 H 1 3.25 . . . . . . . 29 CYS HB2 . 15105 1
203 . 1 1 29 29 CYS HB3 H 1 2.43 . . . . . . . 29 CYS HB3 . 15105 1
204 . 1 1 29 29 CYS CA C 13 53.8 . . . . . . . 29 CYS CA . 15105 1
205 . 1 1 29 29 CYS CB C 13 39.5 . . . . . . . 29 CYS CB . 15105 1
206 . 1 1 29 29 CYS N N 15 119.6 . . . . . . . 29 CYS N . 15105 1
207 . 1 1 30 30 ASP H H 1 7.71 . . . . . . . 30 ASP H . 15105 1
208 . 1 1 30 30 ASP HA H 1 4.29 . . . . . . . 30 ASP HA . 15105 1
209 . 1 1 30 30 ASP HB2 H 1 2.68 . . . . . . . 30 ASP HB2 . 15105 1
210 . 1 1 30 30 ASP HB3 H 1 2.60 . . . . . . . 30 ASP HB3 . 15105 1
211 . 1 1 30 30 ASP C C 13 178.4 . . . . . . . 30 ASP C . 15105 1
212 . 1 1 30 30 ASP CA C 13 58.6 . . . . . . . 30 ASP CA . 15105 1
213 . 1 1 30 30 ASP CB C 13 40.9 . . . . . . . 30 ASP CB . 15105 1
214 . 1 1 31 31 VAL H H 1 8.76 . . . . . . . 31 VAL H . 15105 1
215 . 1 1 31 31 VAL HA H 1 3.62 . . . . . . . 31 VAL HA . 15105 1
216 . 1 1 31 31 VAL HB H 1 1.82 . . . . . . . 31 VAL HB . 15105 1
217 . 1 1 31 31 VAL HG11 H 1 1.01 . . . . . . . 31 VAL HG1 . 15105 1
218 . 1 1 31 31 VAL HG12 H 1 1.01 . . . . . . . 31 VAL HG1 . 15105 1
219 . 1 1 31 31 VAL HG13 H 1 1.01 . . . . . . . 31 VAL HG1 . 15105 1
220 . 1 1 31 31 VAL HG21 H 1 0.85 . . . . . . . 31 VAL HG2 . 15105 1
221 . 1 1 31 31 VAL HG22 H 1 0.85 . . . . . . . 31 VAL HG2 . 15105 1
222 . 1 1 31 31 VAL HG23 H 1 0.85 . . . . . . . 31 VAL HG2 . 15105 1
223 . 1 1 31 31 VAL C C 13 177.0 . . . . . . . 31 VAL C . 15105 1
224 . 1 1 31 31 VAL CA C 13 66.9 . . . . . . . 31 VAL CA . 15105 1
225 . 1 1 31 31 VAL CB C 13 31.8 . . . . . . . 31 VAL CB . 15105 1
226 . 1 1 31 31 VAL CG1 C 13 23.3 . . . . . . . 31 VAL CG1 . 15105 1
227 . 1 1 31 31 VAL CG2 C 13 21.0 . . . . . . . 31 VAL CG2 . 15105 1
228 . 1 1 31 31 VAL N N 15 117.7 . . . . . . . 31 VAL N . 15105 1
229 . 1 1 32 32 ALA H H 1 6.76 . . . . . . . 32 ALA H . 15105 1
230 . 1 1 32 32 ALA HA H 1 4.01 . . . . . . . 32 ALA HA . 15105 1
231 . 1 1 32 32 ALA HB1 H 1 1.40 . . . . . . . 32 ALA HB . 15105 1
232 . 1 1 32 32 ALA HB2 H 1 1.40 . . . . . . . 32 ALA HB . 15105 1
233 . 1 1 32 32 ALA HB3 H 1 1.40 . . . . . . . 32 ALA HB . 15105 1
234 . 1 1 32 32 ALA C C 13 178.7 . . . . . . . 32 ALA C . 15105 1
235 . 1 1 32 32 ALA CA C 13 55.4 . . . . . . . 32 ALA CA . 15105 1
236 . 1 1 32 32 ALA CB C 13 19.2 . . . . . . . 32 ALA CB . 15105 1
237 . 1 1 32 32 ALA N N 15 120.1 . . . . . . . 32 ALA N . 15105 1
238 . 1 1 33 33 SER H H 1 8.22 . . . . . . . 33 SER H . 15105 1
239 . 1 1 33 33 SER HA H 1 4.05 . . . . . . . 33 SER HA . 15105 1
240 . 1 1 33 33 SER HB2 H 1 3.84 . . . . . . . 33 SER HB2 . 15105 1
241 . 1 1 33 33 SER C C 13 176.9 . . . . . . . 33 SER C . 15105 1
242 . 1 1 33 33 SER CA C 13 62.6 . . . . . . . 33 SER CA . 15105 1
243 . 1 1 33 33 SER CB C 13 63.6 . . . . . . . 33 SER CB . 15105 1
244 . 1 1 33 33 SER N N 15 113.1 . . . . . . . 33 SER N . 15105 1
245 . 1 1 34 34 LYS H H 1 8.08 . . . . . . . 34 LYS H . 15105 1
246 . 1 1 34 34 LYS HA H 1 4.00 . . . . . . . 34 LYS HA . 15105 1
247 . 1 1 34 34 LYS HB2 H 1 1.88 . . . . . . . 34 LYS HB2 . 15105 1
248 . 1 1 34 34 LYS HB3 H 1 1.84 . . . . . . . 34 LYS HB3 . 15105 1
249 . 1 1 34 34 LYS HG2 H 1 1.56 . . . . . . . 34 LYS HG2 . 15105 1
250 . 1 1 34 34 LYS HD2 H 1 1.64 . . . . . . . 34 LYS HD2 . 15105 1
251 . 1 1 34 34 LYS HE2 H 1 2.87 . . . . . . . 34 LYS HE2 . 15105 1
252 . 1 1 34 34 LYS HE3 H 1 3.07 . . . . . . . 34 LYS HE3 . 15105 1
253 . 1 1 34 34 LYS C C 13 179.3 . . . . . . . 34 LYS C . 15105 1
254 . 1 1 34 34 LYS CA C 13 59.5 . . . . . . . 34 LYS CA . 15105 1
255 . 1 1 34 34 LYS CB C 13 32.6 . . . . . . . 34 LYS CB . 15105 1
256 . 1 1 34 34 LYS CG C 13 25.9 . . . . . . . 34 LYS CG . 15105 1
257 . 1 1 34 34 LYS CD C 13 29.2 . . . . . . . 34 LYS CD . 15105 1
258 . 1 1 34 34 LYS CE C 13 42.0 . . . . . . . 34 LYS CE . 15105 1
259 . 1 1 34 34 LYS N N 15 122.6 . . . . . . . 34 LYS N . 15105 1
260 . 1 1 35 35 ILE H H 1 7.81 . . . . . . . 35 ILE H . 15105 1
261 . 1 1 35 35 ILE HA H 1 3.46 . . . . . . . 35 ILE HA . 15105 1
262 . 1 1 35 35 ILE HB H 1 1.88 . . . . . . . 35 ILE HB . 15105 1
263 . 1 1 35 35 ILE HG12 H 1 1.90 . . . . . . . 35 ILE HG12 . 15105 1
264 . 1 1 35 35 ILE HG13 H 1 0.32 . . . . . . . 35 ILE HG13 . 15105 1
265 . 1 1 35 35 ILE HG21 H 1 0.76 . . . . . . . 35 ILE HG2 . 15105 1
266 . 1 1 35 35 ILE HG22 H 1 0.76 . . . . . . . 35 ILE HG2 . 15105 1
267 . 1 1 35 35 ILE HG23 H 1 0.76 . . . . . . . 35 ILE HG2 . 15105 1
268 . 1 1 35 35 ILE HD11 H 1 0.46 . . . . . . . 35 ILE HD1 . 15105 1
269 . 1 1 35 35 ILE HD12 H 1 0.46 . . . . . . . 35 ILE HD1 . 15105 1
270 . 1 1 35 35 ILE HD13 H 1 0.46 . . . . . . . 35 ILE HD1 . 15105 1
271 . 1 1 35 35 ILE C C 13 177.7 . . . . . . . 35 ILE C . 15105 1
272 . 1 1 35 35 ILE CA C 13 66.0 . . . . . . . 35 ILE CA . 15105 1
273 . 1 1 35 35 ILE CB C 13 37.8 . . . . . . . 35 ILE CB . 15105 1
274 . 1 1 35 35 ILE CG1 C 13 28.4 . . . . . . . 35 ILE CG1 . 15105 1
275 . 1 1 35 35 ILE CG2 C 13 17.8 . . . . . . . 35 ILE CG2 . 15105 1
276 . 1 1 35 35 ILE CD1 C 13 13.4 . . . . . . . 35 ILE CD1 . 15105 1
277 . 1 1 35 35 ILE N N 15 118.9 . . . . . . . 35 ILE N . 15105 1
278 . 1 1 36 36 ILE H H 1 8.21 . . . . . . . 36 ILE H . 15105 1
279 . 1 1 36 36 ILE HA H 1 3.67 . . . . . . . 36 ILE HA . 15105 1
280 . 1 1 36 36 ILE HB H 1 1.90 . . . . . . . 36 ILE HB . 15105 1
281 . 1 1 36 36 ILE HG12 H 1 1.24 . . . . . . . 36 ILE HG12 . 15105 1
282 . 1 1 36 36 ILE HG13 H 1 1.60 . . . . . . . 36 ILE HG13 . 15105 1
283 . 1 1 36 36 ILE HG21 H 1 0.93 . . . . . . . 36 ILE HG2 . 15105 1
284 . 1 1 36 36 ILE HG22 H 1 0.93 . . . . . . . 36 ILE HG2 . 15105 1
285 . 1 1 36 36 ILE HG23 H 1 0.93 . . . . . . . 36 ILE HG2 . 15105 1
286 . 1 1 36 36 ILE HD11 H 1 0.80 . . . . . . . 36 ILE HD1 . 15105 1
287 . 1 1 36 36 ILE HD12 H 1 0.80 . . . . . . . 36 ILE HD1 . 15105 1
288 . 1 1 36 36 ILE HD13 H 1 0.80 . . . . . . . 36 ILE HD1 . 15105 1
289 . 1 1 36 36 ILE C C 13 177.3 . . . . . . . 36 ILE C . 15105 1
290 . 1 1 36 36 ILE CA C 13 64.4 . . . . . . . 36 ILE CA . 15105 1
291 . 1 1 36 36 ILE CB C 13 37.8 . . . . . . . 36 ILE CB . 15105 1
292 . 1 1 36 36 ILE CG1 C 13 30.5 . . . . . . . 36 ILE CG1 . 15105 1
293 . 1 1 36 36 ILE CG2 C 13 17.0 . . . . . . . 36 ILE CG2 . 15105 1
294 . 1 1 36 36 ILE CD1 C 13 14.0 . . . . . . . 36 ILE CD1 . 15105 1
295 . 1 1 36 36 ILE N N 15 117.2 . . . . . . . 36 ILE N . 15105 1
296 . 1 1 37 37 SER H H 1 7.37 . . . . . . . 37 SER H . 15105 1
297 . 1 1 37 37 SER HA H 1 4.35 . . . . . . . 37 SER HA . 15105 1
298 . 1 1 37 37 SER HB2 H 1 3.94 . . . . . . . 37 SER HB2 . 15105 1
299 . 1 1 37 37 SER C C 13 173.5 . . . . . . . 37 SER C . 15105 1
300 . 1 1 37 37 SER CA C 13 59.0 . . . . . . . 37 SER CA . 15105 1
301 . 1 1 37 37 SER CB C 13 64.2 . . . . . . . 37 SER CB . 15105 1
302 . 1 1 37 37 SER N N 15 113.5 . . . . . . . 37 SER N . 15105 1
303 . 1 1 38 38 LYS H H 1 7.27 . . . . . . . 38 LYS H . 15105 1
304 . 1 1 38 38 LYS HA H 1 3.92 . . . . . . . 38 LYS HA . 15105 1
305 . 1 1 38 38 LYS HB2 H 1 1.84 . . . . . . . 38 LYS HB2 . 15105 1
306 . 1 1 38 38 LYS HB3 H 1 1.62 . . . . . . . 38 LYS HB3 . 15105 1
307 . 1 1 38 38 LYS HG2 H 1 1.21 . . . . . . . 38 LYS HG2 . 15105 1
308 . 1 1 38 38 LYS HG3 H 1 2.04 . . . . . . . 38 LYS HG3 . 15105 1
309 . 1 1 38 38 LYS HD2 H 1 2.06 . . . . . . . 38 LYS HD2 . 15105 1
310 . 1 1 38 38 LYS HE2 H 1 2.53 . . . . . . . 38 LYS HE2 . 15105 1
311 . 1 1 38 38 LYS HE3 H 1 3.04 . . . . . . . 38 LYS HE3 . 15105 1
312 . 1 1 38 38 LYS C C 13 175.5 . . . . . . . 38 LYS C . 15105 1
313 . 1 1 38 38 LYS CA C 13 58.3 . . . . . . . 38 LYS CA . 15105 1
314 . 1 1 38 38 LYS CB C 13 33.4 . . . . . . . 38 LYS CB . 15105 1
315 . 1 1 38 38 LYS CG C 13 24.6 . . . . . . . 38 LYS CG . 15105 1
316 . 1 1 38 38 LYS CD C 13 30.5 . . . . . . . 38 LYS CD . 15105 1
317 . 1 1 38 38 LYS CE C 13 41.4 . . . . . . . 38 LYS CE . 15105 1
318 . 1 1 38 38 LYS N N 15 124.3 . . . . . . . 38 LYS N . 15105 1
319 . 1 1 39 39 LYS H H 1 8.42 . . . . . . . 39 LYS H . 15105 1
320 . 1 1 39 39 LYS HA H 1 4.72 . . . . . . . 39 LYS HA . 15105 1
321 . 1 1 39 39 LYS HB2 H 1 1.68 . . . . . . . 39 LYS HB2 . 15105 1
322 . 1 1 39 39 LYS HB3 H 1 1.42 . . . . . . . 39 LYS HB3 . 15105 1
323 . 1 1 39 39 LYS HG2 H 1 1.28 . . . . . . . 39 LYS HG2 . 15105 1
324 . 1 1 39 39 LYS HD2 H 1 1.63 . . . . . . . 39 LYS HD2 . 15105 1
325 . 1 1 39 39 LYS HE2 H 1 2.97 . . . . . . . 39 LYS HE2 . 15105 1
326 . 1 1 39 39 LYS HE3 H 1 2.88 . . . . . . . 39 LYS HE3 . 15105 1
327 . 1 1 39 39 LYS CA C 13 52.7 . . . . . . . 39 LYS CA . 15105 1
328 . 1 1 39 39 LYS CB C 13 34.7 . . . . . . . 39 LYS CB . 15105 1
329 . 1 1 39 39 LYS CG C 13 24.2 . . . . . . . 39 LYS CG . 15105 1
330 . 1 1 39 39 LYS CD C 13 29.3 . . . . . . . 39 LYS CD . 15105 1
331 . 1 1 39 39 LYS CE C 13 42.2 . . . . . . . 39 LYS CE . 15105 1
332 . 1 1 39 39 LYS N N 15 120.6 . . . . . . . 39 LYS N . 15105 1
333 . 1 1 40 40 PRO HA H 1 4.84 . . . . . . . 40 PRO HA . 15105 1
334 . 1 1 40 40 PRO HB2 H 1 2.27 . . . . . . . 40 PRO HB2 . 15105 1
335 . 1 1 40 40 PRO HB3 H 1 1.98 . . . . . . . 40 PRO HB3 . 15105 1
336 . 1 1 40 40 PRO HG2 H 1 1.70 . . . . . . . 40 PRO HG2 . 15105 1
337 . 1 1 40 40 PRO HG3 H 1 1.76 . . . . . . . 40 PRO HG3 . 15105 1
338 . 1 1 40 40 PRO HD2 H 1 3.48 . . . . . . . 40 PRO HD2 . 15105 1
339 . 1 1 40 40 PRO HD3 H 1 3.62 . . . . . . . 40 PRO HD3 . 15105 1
340 . 1 1 40 40 PRO C C 13 175.8 . . . . . . . 40 PRO C . 15105 1
341 . 1 1 40 40 PRO CA C 13 63.2 . . . . . . . 40 PRO CA . 15105 1
342 . 1 1 40 40 PRO CB C 13 34.4 . . . . . . . 40 PRO CB . 15105 1
343 . 1 1 40 40 PRO CG C 13 24.1 . . . . . . . 40 PRO CG . 15105 1
344 . 1 1 40 40 PRO CD C 13 50.0 . . . . . . . 40 PRO CD . 15105 1
345 . 1 1 41 41 ARG H H 1 8.33 . . . . . . . 41 ARG H . 15105 1
346 . 1 1 41 41 ARG HA H 1 4.64 . . . . . . . 41 ARG HA . 15105 1
347 . 1 1 41 41 ARG HB2 H 1 1.89 . . . . . . . 41 ARG HB2 . 15105 1
348 . 1 1 41 41 ARG HG2 H 1 1.86 . . . . . . . 41 ARG HG2 . 15105 1
349 . 1 1 41 41 ARG HG3 H 1 1.77 . . . . . . . 41 ARG HG3 . 15105 1
350 . 1 1 41 41 ARG HD2 H 1 3.44 . . . . . . . 41 ARG HD2 . 15105 1
351 . 1 1 41 41 ARG HD3 H 1 2.99 . . . . . . . 41 ARG HD3 . 15105 1
352 . 1 1 41 41 ARG C C 13 177.7 . . . . . . . 41 ARG C . 15105 1
353 . 1 1 41 41 ARG CA C 13 55.4 . . . . . . . 41 ARG CA . 15105 1
354 . 1 1 41 41 ARG CB C 13 32.0 . . . . . . . 41 ARG CB . 15105 1
355 . 1 1 41 41 ARG CG C 13 28.0 . . . . . . . 41 ARG CG . 15105 1
356 . 1 1 41 41 ARG CD C 13 44.1 . . . . . . . 41 ARG CD . 15105 1
357 . 1 1 41 41 ARG N N 15 119.4 . . . . . . . 41 ARG N . 15105 1
358 . 1 1 42 42 THR H H 1 9.38 . . . . . . . 42 THR H . 15105 1
359 . 1 1 42 42 THR HA H 1 4.48 . . . . . . . 42 THR HA . 15105 1
360 . 1 1 42 42 THR HB H 1 4.77 . . . . . . . 42 THR HB . 15105 1
361 . 1 1 42 42 THR HG21 H 1 1.32 . . . . . . . 42 THR HG2 . 15105 1
362 . 1 1 42 42 THR HG22 H 1 1.32 . . . . . . . 42 THR HG2 . 15105 1
363 . 1 1 42 42 THR HG23 H 1 1.32 . . . . . . . 42 THR HG2 . 15105 1
364 . 1 1 42 42 THR CA C 13 60.9 . . . . . . . 42 THR CA . 15105 1
365 . 1 1 42 42 THR CB C 13 72.3 . . . . . . . 42 THR CB . 15105 1
366 . 1 1 42 42 THR N N 15 116.1 . . . . . . . 42 THR N . 15105 1
367 . 1 1 43 43 ALA H H 1 6.79 . . . . . . . 43 ALA H . 15105 1
368 . 1 1 43 43 ALA HA H 1 4.10 . . . . . . . 43 ALA HA . 15105 1
369 . 1 1 43 43 ALA HB1 H 1 1.39 . . . . . . . 43 ALA HB . 15105 1
370 . 1 1 43 43 ALA HB2 H 1 1.39 . . . . . . . 43 ALA HB . 15105 1
371 . 1 1 43 43 ALA HB3 H 1 1.39 . . . . . . . 43 ALA HB . 15105 1
372 . 1 1 43 43 ALA C C 13 181.1 . . . . . . . 43 ALA C . 15105 1
373 . 1 1 43 43 ALA CA C 13 55.1 . . . . . . . 43 ALA CA . 15105 1
374 . 1 1 43 43 ALA CB C 13 17.7 . . . . . . . 43 ALA CB . 15105 1
375 . 1 1 44 44 GLN H H 1 8.68 . . . . . . . 44 GLN H . 15105 1
376 . 1 1 44 44 GLN HA H 1 3.88 . . . . . . . 44 GLN HA . 15105 1
377 . 1 1 44 44 GLN HB2 H 1 1.90 . . . . . . . 44 GLN HB2 . 15105 1
378 . 1 1 44 44 GLN HB3 H 1 1.65 . . . . . . . 44 GLN HB3 . 15105 1
379 . 1 1 44 44 GLN HG2 H 1 2.43 . . . . . . . 44 GLN HG2 . 15105 1
380 . 1 1 44 44 GLN HE21 H 1 7.48 . . . . . . . 44 GLN HE21 . 15105 1
381 . 1 1 44 44 GLN HE22 H 1 6.81 . . . . . . . 44 GLN HE22 . 15105 1
382 . 1 1 44 44 GLN C C 13 179.2 . . . . . . . 44 GLN C . 15105 1
383 . 1 1 44 44 GLN CA C 13 60.7 . . . . . . . 44 GLN CA . 15105 1
384 . 1 1 44 44 GLN CB C 13 26.0 . . . . . . . 44 GLN CB . 15105 1
385 . 1 1 44 44 GLN CG C 13 35.0 . . . . . . . 44 GLN CG . 15105 1
386 . 1 1 44 44 GLN N N 15 118.6 . . . . . . . 44 GLN N . 15105 1
387 . 1 1 44 44 GLN NE2 N 15 111.4 . . . . . . . 44 GLN NE2 . 15105 1
388 . 1 1 45 45 ASP H H 1 8.09 . . . . . . . 45 ASP H . 15105 1
389 . 1 1 45 45 ASP HA H 1 4.10 . . . . . . . 45 ASP HA . 15105 1
390 . 1 1 45 45 ASP HB2 H 1 3.22 . . . . . . . 45 ASP HB2 . 15105 1
391 . 1 1 45 45 ASP HB3 H 1 2.32 . . . . . . . 45 ASP HB3 . 15105 1
392 . 1 1 45 45 ASP C C 13 177.7 . . . . . . . 45 ASP C . 15105 1
393 . 1 1 45 45 ASP CA C 13 58.3 . . . . . . . 45 ASP CA . 15105 1
394 . 1 1 45 45 ASP CB C 13 40.9 . . . . . . . 45 ASP CB . 15105 1
395 . 1 1 45 45 ASP N N 15 124.3 . . . . . . . 45 ASP N . 15105 1
396 . 1 1 46 46 GLU H H 1 7.91 . . . . . . . 46 GLU H . 15105 1
397 . 1 1 46 46 GLU HA H 1 3.93 . . . . . . . 46 GLU HA . 15105 1
398 . 1 1 46 46 GLU HB2 H 1 2.20 . . . . . . . 46 GLU HB2 . 15105 1
399 . 1 1 46 46 GLU HB3 H 1 2.02 . . . . . . . 46 GLU HB3 . 15105 1
400 . 1 1 46 46 GLU HG2 H 1 2.43 . . . . . . . 46 GLU HG2 . 15105 1
401 . 1 1 46 46 GLU C C 13 179.2 . . . . . . . 46 GLU C . 15105 1
402 . 1 1 46 46 GLU CA C 13 59.6 . . . . . . . 46 GLU CA . 15105 1
403 . 1 1 46 46 GLU CB C 13 29.2 . . . . . . . 46 GLU CB . 15105 1
404 . 1 1 46 46 GLU CG C 13 36.4 . . . . . . . 46 GLU CG . 15105 1
405 . 1 1 46 46 GLU N N 15 117.3 . . . . . . . 46 GLU N . 15105 1
406 . 1 1 47 47 LYS H H 1 8.11 . . . . . . . 47 LYS H . 15105 1
407 . 1 1 47 47 LYS HA H 1 3.91 . . . . . . . 47 LYS HA . 15105 1
408 . 1 1 47 47 LYS HB2 H 1 1.85 . . . . . . . 47 LYS HB2 . 15105 1
409 . 1 1 47 47 LYS HG2 H 1 1.36 . . . . . . . 47 LYS HG2 . 15105 1
410 . 1 1 47 47 LYS HD2 H 1 1.63 . . . . . . . 47 LYS HD2 . 15105 1
411 . 1 1 47 47 LYS HE2 H 1 3.00 . . . . . . . 47 LYS HE2 . 15105 1
412 . 1 1 47 47 LYS C C 13 177.1 . . . . . . . 47 LYS C . 15105 1
413 . 1 1 47 47 LYS CA C 13 59.6 . . . . . . . 47 LYS CA . 15105 1
414 . 1 1 47 47 LYS CB C 13 33.2 . . . . . . . 47 LYS CB . 15105 1
415 . 1 1 47 47 LYS CG C 13 24.6 . . . . . . . 47 LYS CG . 15105 1
416 . 1 1 47 47 LYS CD C 13 29.8 . . . . . . . 47 LYS CD . 15105 1
417 . 1 1 47 47 LYS N N 15 121.3 . . . . . . . 47 LYS N . 15105 1
418 . 1 1 48 48 PHE H H 1 7.87 . . . . . . . 48 PHE H . 15105 1
419 . 1 1 48 48 PHE HA H 1 4.08 . . . . . . . 48 PHE HA . 15105 1
420 . 1 1 48 48 PHE HB2 H 1 3.03 . . . . . . . 48 PHE HB2 . 15105 1
421 . 1 1 48 48 PHE C C 13 178.7 . . . . . . . 48 PHE C . 15105 1
422 . 1 1 48 48 PHE CA C 13 61.4 . . . . . . . 48 PHE CA . 15105 1
423 . 1 1 48 48 PHE CB C 13 40.4 . . . . . . . 48 PHE CB . 15105 1
424 . 1 1 48 48 PHE N N 15 119.2 . . . . . . . 48 PHE N . 15105 1
425 . 1 1 49 49 LEU H H 1 8.17 . . . . . . . 49 LEU H . 15105 1
426 . 1 1 49 49 LEU HA H 1 3.80 . . . . . . . 49 LEU HA . 15105 1
427 . 1 1 49 49 LEU HB2 H 1 1.93 . . . . . . . 49 LEU HB2 . 15105 1
428 . 1 1 49 49 LEU HB3 H 1 1.38 . . . . . . . 49 LEU HB3 . 15105 1
429 . 1 1 49 49 LEU HG H 1 1.30 . . . . . . . 49 LEU HG . 15105 1
430 . 1 1 49 49 LEU HD11 H 1 0.81 . . . . . . . 49 LEU HD1 . 15105 1
431 . 1 1 49 49 LEU HD12 H 1 0.81 . . . . . . . 49 LEU HD1 . 15105 1
432 . 1 1 49 49 LEU HD13 H 1 0.81 . . . . . . . 49 LEU HD1 . 15105 1
433 . 1 1 49 49 LEU HD21 H 1 0.89 . . . . . . . 49 LEU HD2 . 15105 1
434 . 1 1 49 49 LEU HD22 H 1 0.89 . . . . . . . 49 LEU HD2 . 15105 1
435 . 1 1 49 49 LEU HD23 H 1 0.89 . . . . . . . 49 LEU HD2 . 15105 1
436 . 1 1 49 49 LEU C C 13 180.1 . . . . . . . 49 LEU C . 15105 1
437 . 1 1 49 49 LEU CA C 13 57.8 . . . . . . . 49 LEU CA . 15105 1
438 . 1 1 49 49 LEU CB C 13 41.8 . . . . . . . 49 LEU CB . 15105 1
439 . 1 1 49 49 LEU CD1 C 13 25.7 . . . . . . . 49 LEU CD1 . 15105 1
440 . 1 1 49 49 LEU CD2 C 13 22.1 . . . . . . . 49 LEU CD2 . 15105 1
441 . 1 1 49 49 LEU N N 15 119.4 . . . . . . . 49 LEU N . 15105 1
442 . 1 1 50 50 ARG H H 1 8.00 . . . . . . . 50 ARG H . 15105 1
443 . 1 1 50 50 ARG HA H 1 4.04 . . . . . . . 50 ARG HA . 15105 1
444 . 1 1 50 50 ARG HB2 H 1 1.91 . . . . . . . 50 ARG HB2 . 15105 1
445 . 1 1 50 50 ARG HB3 H 1 1.97 . . . . . . . 50 ARG HB3 . 15105 1
446 . 1 1 50 50 ARG HG2 H 1 1.59 . . . . . . . 50 ARG HG2 . 15105 1
447 . 1 1 50 50 ARG HG3 H 1 1.76 . . . . . . . 50 ARG HG3 . 15105 1
448 . 1 1 50 50 ARG HD2 H 1 3.22 . . . . . . . 50 ARG HD2 . 15105 1
449 . 1 1 50 50 ARG HD3 H 1 3.20 . . . . . . . 50 ARG HD3 . 15105 1
450 . 1 1 50 50 ARG C C 13 179.8 . . . . . . . 50 ARG C . 15105 1
451 . 1 1 50 50 ARG CA C 13 59.7 . . . . . . . 50 ARG CA . 15105 1
452 . 1 1 50 50 ARG CB C 13 30.2 . . . . . . . 50 ARG CB . 15105 1
453 . 1 1 50 50 ARG CG C 13 27.5 . . . . . . . 50 ARG CG . 15105 1
454 . 1 1 50 50 ARG CD C 13 43.6 . . . . . . . 50 ARG CD . 15105 1
455 . 1 1 50 50 ARG N N 15 119.7 . . . . . . . 50 ARG N . 15105 1
456 . 1 1 51 51 GLU H H 1 8.24 . . . . . . . 51 GLU H . 15105 1
457 . 1 1 51 51 GLU HA H 1 4.09 . . . . . . . 51 GLU HA . 15105 1
458 . 1 1 51 51 GLU HB2 H 1 1.98 . . . . . . . 51 GLU HB2 . 15105 1
459 . 1 1 51 51 GLU HB3 H 1 1.85 . . . . . . . 51 GLU HB3 . 15105 1
460 . 1 1 51 51 GLU HG2 H 1 2.20 . . . . . . . 51 GLU HG2 . 15105 1
461 . 1 1 51 51 GLU HG3 H 1 2.51 . . . . . . . 51 GLU HG3 . 15105 1
462 . 1 1 51 51 GLU C C 13 177.0 . . . . . . . 51 GLU C . 15105 1
463 . 1 1 51 51 GLU CA C 13 57.8 . . . . . . . 51 GLU CA . 15105 1
464 . 1 1 51 51 GLU CB C 13 29.5 . . . . . . . 51 GLU CB . 15105 1
465 . 1 1 51 51 GLU CG C 13 37.2 . . . . . . . 51 GLU CG . 15105 1
466 . 1 1 51 51 GLU N N 15 117.1 . . . . . . . 51 GLU N . 15105 1
467 . 1 1 52 52 SER H H 1 7.47 . . . . . . . 52 SER H . 15105 1
468 . 1 1 52 52 SER HA H 1 4.41 . . . . . . . 52 SER HA . 15105 1
469 . 1 1 52 52 SER HB2 H 1 3.78 . . . . . . . 52 SER HB2 . 15105 1
470 . 1 1 52 52 SER HB3 H 1 3.53 . . . . . . . 52 SER HB3 . 15105 1
471 . 1 1 52 52 SER C C 13 173.4 . . . . . . . 52 SER C . 15105 1
472 . 1 1 52 52 SER CA C 13 58.9 . . . . . . . 52 SER CA . 15105 1
473 . 1 1 52 52 SER CB C 13 63.7 . . . . . . . 52 SER CB . 15105 1
474 . 1 1 52 52 SER N N 15 113.8 . . . . . . . 52 SER N . 15105 1
475 . 1 1 53 53 ALA H H 1 6.96 . . . . . . . 53 ALA H . 15105 1
476 . 1 1 53 53 ALA HA H 1 4.23 . . . . . . . 53 ALA HA . 15105 1
477 . 1 1 53 53 ALA HB1 H 1 1.49 . . . . . . . 53 ALA HB . 15105 1
478 . 1 1 53 53 ALA HB2 H 1 1.49 . . . . . . . 53 ALA HB . 15105 1
479 . 1 1 53 53 ALA HB3 H 1 1.49 . . . . . . . 53 ALA HB . 15105 1
480 . 1 1 53 53 ALA C C 13 178.2 . . . . . . . 53 ALA C . 15105 1
481 . 1 1 53 53 ALA CA C 13 54.0 . . . . . . . 53 ALA CA . 15105 1
482 . 1 1 53 53 ALA CB C 13 19.2 . . . . . . . 53 ALA CB . 15105 1
483 . 1 1 53 53 ALA N N 15 124.9 . . . . . . . 53 ALA N . 15105 1
484 . 1 1 54 54 CYS H H 1 8.16 . . . . . . . 54 CYS H . 15105 1
485 . 1 1 54 54 CYS HA H 1 4.94 . . . . . . . 54 CYS HA . 15105 1
486 . 1 1 54 54 CYS HB2 H 1 3.19 . . . . . . . 54 CYS HB2 . 15105 1
487 . 1 1 54 54 CYS C C 13 172.7 . . . . . . . 54 CYS C . 15105 1
488 . 1 1 54 54 CYS CA C 13 55.7 . . . . . . . 54 CYS CA . 15105 1
489 . 1 1 54 54 CYS CB C 13 45.8 . . . . . . . 54 CYS CB . 15105 1
490 . 1 1 54 54 CYS N N 15 116.2 . . . . . . . 54 CYS N . 15105 1
491 . 1 1 55 55 GLY H H 1 7.50 . . . . . . . 55 GLY H . 15105 1
492 . 1 1 55 55 GLY HA2 H 1 4.33 . . . . . . . 55 GLY HA2 . 15105 1
493 . 1 1 55 55 GLY HA3 H 1 3.64 . . . . . . . 55 GLY HA3 . 15105 1
494 . 1 1 55 55 GLY C C 13 176.5 . . . . . . . 55 GLY C . 15105 1
495 . 1 1 55 55 GLY CA C 13 44.7 . . . . . . . 55 GLY CA . 15105 1
496 . 1 1 55 55 GLY N N 15 108.8 . . . . . . . 55 GLY N . 15105 1
497 . 1 1 56 56 PHE H H 1 8.70 . . . . . . . 56 PHE H . 15105 1
498 . 1 1 56 56 PHE HA H 1 4.19 . . . . . . . 56 PHE HA . 15105 1
499 . 1 1 56 56 PHE HB2 H 1 2.33 . . . . . . . 56 PHE HB2 . 15105 1
500 . 1 1 56 56 PHE C C 13 178.6 . . . . . . . 56 PHE C . 15105 1
501 . 1 1 56 56 PHE CA C 13 53.6 . . . . . . . 56 PHE CA . 15105 1
502 . 1 1 56 56 PHE CB C 13 37.7 . . . . . . . 56 PHE CB . 15105 1
503 . 1 1 56 56 PHE N N 15 114.6 . . . . . . . 56 PHE N . 15105 1
504 . 1 1 57 57 ASP H H 1 7.55 . . . . . . . 57 ASP H . 15105 1
505 . 1 1 57 57 ASP HA H 1 4.55 . . . . . . . 57 ASP HA . 15105 1
506 . 1 1 57 57 ASP HB2 H 1 2.67 . . . . . . . 57 ASP HB2 . 15105 1
507 . 1 1 57 57 ASP HB3 H 1 2.40 . . . . . . . 57 ASP HB3 . 15105 1
508 . 1 1 57 57 ASP CA C 13 54.7 . . . . . . . 57 ASP CA . 15105 1
509 . 1 1 57 57 ASP CB C 13 41.1 . . . . . . . 57 ASP CB . 15105 1
510 . 1 1 57 57 ASP N N 15 113.6 . . . . . . . 57 ASP N . 15105 1
511 . 1 1 58 58 GLY H H 1 8.27 . . . . . . . 58 GLY H . 15105 1
512 . 1 1 58 58 GLY HA2 H 1 3.57 . . . . . . . 58 GLY HA2 . 15105 1
513 . 1 1 58 58 GLY HA3 H 1 4.05 . . . . . . . 58 GLY HA3 . 15105 1
514 . 1 1 58 58 GLY CA C 13 46.4 . . . . . . . 58 GLY CA . 15105 1
515 . 1 1 58 58 GLY N N 15 120.6 . . . . . . . 58 GLY N . 15105 1
516 . 1 1 59 59 GLN HA H 1 4.33 . . . . . . . 59 GLN HA . 15105 1
517 . 1 1 59 59 GLN HB2 H 1 2.24 . . . . . . . 59 GLN HB2 . 15105 1
518 . 1 1 59 59 GLN HB3 H 1 1.96 . . . . . . . 59 GLN HB3 . 15105 1
519 . 1 1 59 59 GLN HG2 H 1 2.30 . . . . . . . 59 GLN HG2 . 15105 1
520 . 1 1 59 59 GLN C C 13 176.0 . . . . . . . 59 GLN C . 15105 1
521 . 1 1 59 59 GLN CA C 13 55.9 . . . . . . . 59 GLN CA . 15105 1
522 . 1 1 59 59 GLN CB C 13 29.5 . . . . . . . 59 GLN CB . 15105 1
523 . 1 1 59 59 GLN CG C 13 34.1 . . . . . . . 59 GLN CG . 15105 1
524 . 1 1 60 60 THR H H 1 8.35 . . . . . . . 60 THR H . 15105 1
525 . 1 1 60 60 THR HA H 1 4.64 . . . . . . . 60 THR HA . 15105 1
526 . 1 1 60 60 THR HB H 1 4.32 . . . . . . . 60 THR HB . 15105 1
527 . 1 1 60 60 THR HG21 H 1 1.37 . . . . . . . 60 THR HG1 . 15105 1
528 . 1 1 60 60 THR HG22 H 1 1.37 . . . . . . . 60 THR HG1 . 15105 1
529 . 1 1 60 60 THR HG23 H 1 1.37 . . . . . . . 60 THR HG1 . 15105 1
530 . 1 1 60 60 THR CA C 13 60.5 . . . . . . . 60 THR CA . 15105 1
531 . 1 1 60 60 THR CB C 13 70.3 . . . . . . . 60 THR CB . 15105 1
532 . 1 1 60 60 THR CG2 C 13 21.9 . . . . . . . 60 THR CG2 . 15105 1
533 . 1 1 60 60 THR N N 15 119.7 . . . . . . . 60 THR N . 15105 1
534 . 1 1 61 61 PRO HA H 1 4.07 . . . . . . . 61 PRO HA . 15105 1
535 . 1 1 61 61 PRO HB2 H 1 2.16 . . . . . . . 61 PRO HB2 . 15105 1
536 . 1 1 61 61 PRO HB3 H 1 1.70 . . . . . . . 61 PRO HB3 . 15105 1
537 . 1 1 61 61 PRO HG2 H 1 2.06 . . . . . . . 61 PRO HG2 . 15105 1
538 . 1 1 61 61 PRO HG3 H 1 2.01 . . . . . . . 61 PRO HG3 . 15105 1
539 . 1 1 61 61 PRO HD2 H 1 4.12 . . . . . . . 61 PRO HD2 . 15105 1
540 . 1 1 61 61 PRO HD3 H 1 3.80 . . . . . . . 61 PRO HD3 . 15105 1
541 . 1 1 61 61 PRO C C 13 175.6 . . . . . . . 61 PRO C . 15105 1
542 . 1 1 61 61 PRO CA C 13 63.3 . . . . . . . 61 PRO CA . 15105 1
543 . 1 1 61 61 PRO CB C 13 32.3 . . . . . . . 61 PRO CB . 15105 1
544 . 1 1 61 61 PRO CG C 13 27.5 . . . . . . . 61 PRO CG . 15105 1
545 . 1 1 61 61 PRO CD C 13 51.4 . . . . . . . 61 PRO CD . 15105 1
546 . 1 1 62 62 LYS H H 1 8.03 . . . . . . . 62 LYS H . 15105 1
547 . 1 1 62 62 LYS HA H 1 4.66 . . . . . . . 62 LYS HA . 15105 1
548 . 1 1 62 62 LYS HB2 H 1 1.33 . . . . . . . 62 LYS HB2 . 15105 1
549 . 1 1 62 62 LYS HB3 H 1 0.96 . . . . . . . 62 LYS HB3 . 15105 1
550 . 1 1 62 62 LYS HE2 H 1 2.69 . . . . . . . 62 LYS HE2 . 15105 1
551 . 1 1 62 62 LYS C C 13 176.5 . . . . . . . 62 LYS C . 15105 1
552 . 1 1 62 62 LYS CA C 13 54.8 . . . . . . . 62 LYS CA . 15105 1
553 . 1 1 62 62 LYS CB C 13 34.9 . . . . . . . 62 LYS CB . 15105 1
554 . 1 1 62 62 LYS CG C 13 25.5 . . . . . . . 62 LYS CG . 15105 1
555 . 1 1 62 62 LYS N N 15 119.2 . . . . . . . 62 LYS N . 15105 1
556 . 1 1 63 63 VAL H H 1 9.19 . . . . . . . 63 VAL H . 15105 1
557 . 1 1 63 63 VAL HA H 1 4.61 . . . . . . . 63 VAL HA . 15105 1
558 . 1 1 63 63 VAL HB H 1 1.85 . . . . . . . 63 VAL HB . 15105 1
559 . 1 1 63 63 VAL HG11 H 1 0.66 . . . . . . . 63 VAL HG1 . 15105 1
560 . 1 1 63 63 VAL HG12 H 1 0.66 . . . . . . . 63 VAL HG1 . 15105 1
561 . 1 1 63 63 VAL HG13 H 1 0.66 . . . . . . . 63 VAL HG1 . 15105 1
562 . 1 1 63 63 VAL HG21 H 1 0.64 . . . . . . . 63 VAL HG2 . 15105 1
563 . 1 1 63 63 VAL HG22 H 1 0.64 . . . . . . . 63 VAL HG2 . 15105 1
564 . 1 1 63 63 VAL HG23 H 1 0.64 . . . . . . . 63 VAL HG2 . 15105 1
565 . 1 1 63 63 VAL C C 13 173.9 . . . . . . . 63 VAL C . 15105 1
566 . 1 1 63 63 VAL CA C 13 58.3 . . . . . . . 63 VAL CA . 15105 1
567 . 1 1 63 63 VAL CB C 13 35.5 . . . . . . . 63 VAL CB . 15105 1
568 . 1 1 63 63 VAL CG1 C 13 21.9 . . . . . . . 63 VAL CG1 . 15105 1
569 . 1 1 63 63 VAL CG2 C 13 19.3 . . . . . . . 63 VAL CG2 . 15105 1
570 . 1 1 63 63 VAL N N 15 117.1 . . . . . . . 63 VAL N . 15105 1
571 . 1 1 64 64 CYS H H 1 9.06 . . . . . . . 64 CYS H . 15105 1
572 . 1 1 64 64 CYS HA H 1 4.32 . . . . . . . 64 CYS HA . 15105 1
573 . 1 1 64 64 CYS HB2 H 1 2.86 . . . . . . . 64 CYS HB2 . 15105 1
574 . 1 1 64 64 CYS HB3 H 1 2.79 . . . . . . . 64 CYS HB3 . 15105 1
575 . 1 1 64 64 CYS C C 13 171.6 . . . . . . . 64 CYS C . 15105 1
576 . 1 1 64 64 CYS CA C 13 56.0 . . . . . . . 64 CYS CA . 15105 1
577 . 1 1 64 64 CYS CB C 13 39.8 . . . . . . . 64 CYS CB . 15105 1
578 . 1 1 64 64 CYS N N 15 123.5 . . . . . . . 64 CYS N . 15105 1
579 . 1 1 65 65 CYS H H 1 9.02 . . . . . . . 65 CYS H . 15105 1
580 . 1 1 65 65 CYS HA H 1 5.09 . . . . . . . 65 CYS HA . 15105 1
581 . 1 1 65 65 CYS HB2 H 1 2.70 . . . . . . . 65 CYS HB2 . 15105 1
582 . 1 1 65 65 CYS HB3 H 1 3.50 . . . . . . . 65 CYS HB3 . 15105 1
583 . 1 1 65 65 CYS CA C 13 53.4 . . . . . . . 65 CYS CA . 15105 1
584 . 1 1 65 65 CYS CB C 13 43.8 . . . . . . . 65 CYS CB . 15105 1
585 . 1 1 65 65 CYS N N 15 132.0 . . . . . . . 65 CYS N . 15105 1
586 . 1 1 66 66 PRO HA H 1 4.66 . . . . . . . 66 PRO HA . 15105 1
587 . 1 1 66 66 PRO HB2 H 1 2.42 . . . . . . . 66 PRO HB2 . 15105 1
588 . 1 1 66 66 PRO HB3 H 1 2.38 . . . . . . . 66 PRO HB3 . 15105 1
589 . 1 1 66 66 PRO HG2 H 1 2.15 . . . . . . . 66 PRO HG2 . 15105 1
590 . 1 1 66 66 PRO HD2 H 1 3.73 . . . . . . . 66 PRO HD2 . 15105 1
591 . 1 1 66 66 PRO HD3 H 1 4.19 . . . . . . . 66 PRO HD3 . 15105 1
592 . 1 1 66 66 PRO C C 13 176.0 . . . . . . . 66 PRO C . 15105 1
593 . 1 1 66 66 PRO CA C 13 63.1 . . . . . . . 66 PRO CA . 15105 1
594 . 1 1 66 66 PRO CB C 13 32.1 . . . . . . . 66 PRO CB . 15105 1
595 . 1 1 66 66 PRO CG C 13 27.4 . . . . . . . 66 PRO CG . 15105 1
596 . 1 1 66 66 PRO CD C 13 51.0 . . . . . . . 66 PRO CD . 15105 1
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