data_19811
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 19811
_Entry.Title
;
NMR solution structure of a computational designed protein based on template of human erythrocytic ubiquitin
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2014-02-21
_Entry.Accession_date 2014-02-21
_Entry.Last_release_date 2014-10-27
_Entry.Original_release_date 2014-10-27
_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
_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 Peng Xiong . . . 19811
2 Meng Wang . . . 19811
3 Jiahai Zhang . . . 19811
4 Quan Chen . . . 19811
5 Haiyan Liu . . . 19811
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' . 19811
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
NMR . 19811
'protein design' . 19811
'Statistical energy Function' . 19811
ubiquitin . 19811
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 19811
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 264 19811
'15N chemical shifts' 76 19811
'1H chemical shifts' 561 19811
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 . . 2014-10-27 2014-02-21 original author . 19811
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2mlb 'BMRB Entry Tracking System' 19811
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 19811
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'A comprehensive statistical energy function for protein design'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Nat. Methods'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_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 Peng Xiong . . . 19811 1
2 Meng Wang . . . 19811 1
3 Xiaoqun Zhou . . . 19811 1
4 Tongchuan Zhang . . . 19811 1
5 Jiahai Zhang . . . 19811 1
6 Quan Chen . . . 19811 1
7 Haiyan Liu . . . 19811 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 19811
_Assembly.ID 1
_Assembly.Name 'a computational designed protein based on template of human erythrocytic ubiquitin'
_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 'redesigned ubiquitin' 1 $entity A . yes native no no . . . 19811 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity
_Entity.Sf_category entity
_Entity.Sf_framecode entity
_Entity.Entry_ID 19811
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name redesigned_ubiquitin
_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
;
MDTINITLPDGKTLTLTVTP
EFTVKELAEEIARRLGLSPE
DIKLTHNGKTLDPSLTLAEY
GITPGSTITLEIKKKGGLE
;
_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 79
_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 8559.913
_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 PDB 2MLB . "Nmr Solution Structure Of A Computational Designed Protein Based On Template Of Human Erythrocytic Ubiquitin" . . . . . 100.00 79 100.00 100.00 1.56e-45 . . . . 19811 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 . 19811 1
2 . ASP . 19811 1
3 . THR . 19811 1
4 . ILE . 19811 1
5 . ASN . 19811 1
6 . ILE . 19811 1
7 . THR . 19811 1
8 . LEU . 19811 1
9 . PRO . 19811 1
10 . ASP . 19811 1
11 . GLY . 19811 1
12 . LYS . 19811 1
13 . THR . 19811 1
14 . LEU . 19811 1
15 . THR . 19811 1
16 . LEU . 19811 1
17 . THR . 19811 1
18 . VAL . 19811 1
19 . THR . 19811 1
20 . PRO . 19811 1
21 . GLU . 19811 1
22 . PHE . 19811 1
23 . THR . 19811 1
24 . VAL . 19811 1
25 . LYS . 19811 1
26 . GLU . 19811 1
27 . LEU . 19811 1
28 . ALA . 19811 1
29 . GLU . 19811 1
30 . GLU . 19811 1
31 . ILE . 19811 1
32 . ALA . 19811 1
33 . ARG . 19811 1
34 . ARG . 19811 1
35 . LEU . 19811 1
36 . GLY . 19811 1
37 . LEU . 19811 1
38 . SER . 19811 1
39 . PRO . 19811 1
40 . GLU . 19811 1
41 . ASP . 19811 1
42 . ILE . 19811 1
43 . LYS . 19811 1
44 . LEU . 19811 1
45 . THR . 19811 1
46 . HIS . 19811 1
47 . ASN . 19811 1
48 . GLY . 19811 1
49 . LYS . 19811 1
50 . THR . 19811 1
51 . LEU . 19811 1
52 . ASP . 19811 1
53 . PRO . 19811 1
54 . SER . 19811 1
55 . LEU . 19811 1
56 . THR . 19811 1
57 . LEU . 19811 1
58 . ALA . 19811 1
59 . GLU . 19811 1
60 . TYR . 19811 1
61 . GLY . 19811 1
62 . ILE . 19811 1
63 . THR . 19811 1
64 . PRO . 19811 1
65 . GLY . 19811 1
66 . SER . 19811 1
67 . THR . 19811 1
68 . ILE . 19811 1
69 . THR . 19811 1
70 . LEU . 19811 1
71 . GLU . 19811 1
72 . ILE . 19811 1
73 . LYS . 19811 1
74 . LYS . 19811 1
75 . LYS . 19811 1
76 . GLY . 19811 1
77 . GLY . 19811 1
78 . LEU . 19811 1
79 . GLU . 19811 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 19811 1
. ASP 2 2 19811 1
. THR 3 3 19811 1
. ILE 4 4 19811 1
. ASN 5 5 19811 1
. ILE 6 6 19811 1
. THR 7 7 19811 1
. LEU 8 8 19811 1
. PRO 9 9 19811 1
. ASP 10 10 19811 1
. GLY 11 11 19811 1
. LYS 12 12 19811 1
. THR 13 13 19811 1
. LEU 14 14 19811 1
. THR 15 15 19811 1
. LEU 16 16 19811 1
. THR 17 17 19811 1
. VAL 18 18 19811 1
. THR 19 19 19811 1
. PRO 20 20 19811 1
. GLU 21 21 19811 1
. PHE 22 22 19811 1
. THR 23 23 19811 1
. VAL 24 24 19811 1
. LYS 25 25 19811 1
. GLU 26 26 19811 1
. LEU 27 27 19811 1
. ALA 28 28 19811 1
. GLU 29 29 19811 1
. GLU 30 30 19811 1
. ILE 31 31 19811 1
. ALA 32 32 19811 1
. ARG 33 33 19811 1
. ARG 34 34 19811 1
. LEU 35 35 19811 1
. GLY 36 36 19811 1
. LEU 37 37 19811 1
. SER 38 38 19811 1
. PRO 39 39 19811 1
. GLU 40 40 19811 1
. ASP 41 41 19811 1
. ILE 42 42 19811 1
. LYS 43 43 19811 1
. LEU 44 44 19811 1
. THR 45 45 19811 1
. HIS 46 46 19811 1
. ASN 47 47 19811 1
. GLY 48 48 19811 1
. LYS 49 49 19811 1
. THR 50 50 19811 1
. LEU 51 51 19811 1
. ASP 52 52 19811 1
. PRO 53 53 19811 1
. SER 54 54 19811 1
. LEU 55 55 19811 1
. THR 56 56 19811 1
. LEU 57 57 19811 1
. ALA 58 58 19811 1
. GLU 59 59 19811 1
. TYR 60 60 19811 1
. GLY 61 61 19811 1
. ILE 62 62 19811 1
. THR 63 63 19811 1
. PRO 64 64 19811 1
. GLY 65 65 19811 1
. SER 66 66 19811 1
. THR 67 67 19811 1
. ILE 68 68 19811 1
. THR 69 69 19811 1
. LEU 70 70 19811 1
. GLU 71 71 19811 1
. ILE 72 72 19811 1
. LYS 73 73 19811 1
. LYS 74 74 19811 1
. LYS 75 75 19811 1
. GLY 76 76 19811 1
. GLY 77 77 19811 1
. LEU 78 78 19811 1
. GLU 79 79 19811 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 19811
_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 $entity . . 'no natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19811 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 19811
_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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 19811 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 19811
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'redesigned ubiquitin' '[U-100% 15N]' . . 1 $entity . . . 0.5 1 mM . . . . 19811 1
2 'phosphate buffer' 'natural abundance' . . . . . . 25 . . mM . . . . 19811 1
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19811 1
4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 19811 1
5 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 19811 1
6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19811 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 19811
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '100% 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 'redesigned ubiquitin' '[U-100% 13C]' . . 1 $entity . . . 0.5 1 mM . . . . 19811 2
2 'phosphate buffer' 'natural abundance' . . . . . . 25 . . mM . . . . 19811 2
3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 19811 2
4 EDTA 'natural abundance' . . . . . . 2 . . mM . . . . 19811 2
5 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 19811 2
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 19811
_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' 125 . mM 19811 1
pH 6.5 . pH 19811 1
pressure 1 . atm 19811 1
temperature 298 . K 19811 1
stop_
save_
############################
# Computer software used #
############################
save_CNS
_Software.Sf_category software
_Software.Sf_framecode CNS
_Software.Entry_ID 19811
_Software.ID 1
_Software.Name CNS
_Software.Version 1.3
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19811 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'geometry optimization' 19811 1
refinement 19811 1
'structure solution' 19811 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 19811
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DMX
_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 19811
_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 DMX . 600 . . . 19811 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 19811
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1
2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1
3 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1
4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1
5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1
6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1
7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1
8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1
9 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 1
10 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19811 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 19811
_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 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . . . . . 19811 1
H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . . . . . 19811 1
N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . . . . . 19811 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 19811
_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
2 '3D CBCA(CO)NH' 1 $sample_1 . 19811 1
3 '3D C(CO)NH' 1 $sample_1 . 19811 1
4 '3D HNCACB' 1 $sample_1 . 19811 1
5 '3D HBHA(CO)NH' 1 $sample_1 . 19811 1
6 '3D H(CCO)NH' 1 $sample_1 . 19811 1
7 '3D HCCH-TOCSY' 2 $sample_2 . 19811 1
10 '3D HCCH-COSY' 2 $sample_2 . 19811 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 MET HA H 1 4.535 0.000 2 1 . . . A 1 MET HA . 19811 1
2 . 1 1 1 1 MET HB2 H 1 2.047 0.000 1 2 . . . A 1 MET HB2 . 19811 1
3 . 1 1 1 1 MET HB3 H 1 1.925 0.000 1 2 . . . A 1 MET HB3 . 19811 1
4 . 1 1 1 1 MET HG2 H 1 2.498 0.000 1 2 . . . A 1 MET HG2 . 19811 1
5 . 1 1 1 1 MET HG3 H 1 2.498 0.000 1 2 . . . A 1 MET HG3 . 19811 1
6 . 1 1 1 1 MET H H 1 8.393 0.000 3 1 . . . A 1 MET H1 . 19811 1
7 . 1 1 1 1 MET CA C 13 54.032 0.078 2 1 . . . A 1 MET CA . 19811 1
8 . 1 1 1 1 MET CB C 13 33.575 0.005 2 1 . . . A 1 MET CB . 19811 1
9 . 1 1 1 1 MET N N 15 127.937 0.025 3 1 . . . A 1 MET N . 19811 1
10 . 1 1 2 2 ASP H H 1 8.479 0.000 9 1 . . . A 2 ASP H . 19811 1
11 . 1 1 2 2 ASP HA H 1 4.798 0.003 9 1 . . . A 2 ASP HA . 19811 1
12 . 1 1 2 2 ASP HB2 H 1 2.664 0.004 7 2 . . . A 2 ASP HB2 . 19811 1
13 . 1 1 2 2 ASP HB3 H 1 2.411 0.003 8 2 . . . A 2 ASP HB3 . 19811 1
14 . 1 1 2 2 ASP CA C 13 54.249 0.060 5 1 . . . A 2 ASP CA . 19811 1
15 . 1 1 2 2 ASP CB C 13 42.163 0.225 7 1 . . . A 2 ASP CB . 19811 1
16 . 1 1 2 2 ASP N N 15 121.707 0.016 9 1 . . . A 2 ASP N . 19811 1
17 . 1 1 3 3 THR H H 1 7.857 0.001 21 1 . . . A 3 THR H . 19811 1
18 . 1 1 3 3 THR HA H 1 5.324 0.003 16 1 . . . A 3 THR HA . 19811 1
19 . 1 1 3 3 THR HB H 1 3.939 0.004 9 1 . . . A 3 THR HB . 19811 1
20 . 1 1 3 3 THR HG21 H 1 0.947 0.005 9 1 . . . A 3 THR HG21 . 19811 1
21 . 1 1 3 3 THR HG22 H 1 0.947 0.005 9 1 . . . A 3 THR HG22 . 19811 1
22 . 1 1 3 3 THR HG23 H 1 0.947 0.005 9 1 . . . A 3 THR HG23 . 19811 1
23 . 1 1 3 3 THR CA C 13 59.553 0.003 4 1 . . . A 3 THR CA . 19811 1
24 . 1 1 3 3 THR CB C 13 72.235 0.023 6 1 . . . A 3 THR CB . 19811 1
25 . 1 1 3 3 THR CG2 C 13 21.717 0.096 4 1 . . . A 3 THR CG2 . 19811 1
26 . 1 1 3 3 THR N N 15 109.876 0.073 21 1 . . . A 3 THR N . 19811 1
27 . 1 1 4 4 ILE H H 1 8.665 0.005 16 1 . . . A 4 ILE H . 19811 1
28 . 1 1 4 4 ILE HA H 1 4.464 0.003 16 1 . . . A 4 ILE HA . 19811 1
29 . 1 1 4 4 ILE HB H 1 1.595 0.004 12 1 . . . A 4 ILE HB . 19811 1
30 . 1 1 4 4 ILE HG12 H 1 1.167 0.004 8 2 . . . A 4 ILE HG12 . 19811 1
31 . 1 1 4 4 ILE HG13 H 1 0.926 0.006 8 2 . . . A 4 ILE HG13 . 19811 1
32 . 1 1 4 4 ILE HG21 H 1 0.660 0.005 14 1 . . . A 4 ILE HG21 . 19811 1
33 . 1 1 4 4 ILE HG22 H 1 0.660 0.005 14 1 . . . A 4 ILE HG22 . 19811 1
34 . 1 1 4 4 ILE HG23 H 1 0.660 0.005 14 1 . . . A 4 ILE HG23 . 19811 1
35 . 1 1 4 4 ILE HD11 H 1 0.614 0.005 7 1 . . . A 4 ILE HD11 . 19811 1
36 . 1 1 4 4 ILE HD12 H 1 0.614 0.005 7 1 . . . A 4 ILE HD12 . 19811 1
37 . 1 1 4 4 ILE HD13 H 1 0.614 0.005 7 1 . . . A 4 ILE HD13 . 19811 1
38 . 1 1 4 4 ILE CA C 13 59.314 0.040 8 1 . . . A 4 ILE CA . 19811 1
39 . 1 1 4 4 ILE CB C 13 41.940 0.049 5 1 . . . A 4 ILE CB . 19811 1
40 . 1 1 4 4 ILE CG1 C 13 26.240 0.028 4 1 . . . A 4 ILE CG1 . 19811 1
41 . 1 1 4 4 ILE CG2 C 13 18.424 0.026 8 1 . . . A 4 ILE CG2 . 19811 1
42 . 1 1 4 4 ILE CD1 C 13 14.716 0.036 6 1 . . . A 4 ILE CD1 . 19811 1
43 . 1 1 4 4 ILE N N 15 115.792 0.026 14 1 . . . A 4 ILE N . 19811 1
44 . 1 1 5 5 ASN H H 1 8.457 0.003 28 1 . . . A 5 ASN H . 19811 1
45 . 1 1 5 5 ASN HA H 1 5.438 0.019 21 1 . . . A 5 ASN HA . 19811 1
46 . 1 1 5 5 ASN HB2 H 1 2.896 0.004 19 2 . . . A 5 ASN HB2 . 19811 1
47 . 1 1 5 5 ASN HB3 H 1 2.413 0.003 20 2 . . . A 5 ASN HB3 . 19811 1
48 . 1 1 5 5 ASN HD21 H 1 6.805 0.002 6 2 . . . A 5 ASN HD21 . 19811 1
49 . 1 1 5 5 ASN HD22 H 1 6.775 0.004 7 2 . . . A 5 ASN HD22 . 19811 1
50 . 1 1 5 5 ASN CA C 13 51.594 0.084 11 1 . . . A 5 ASN CA . 19811 1
51 . 1 1 5 5 ASN CB C 13 41.031 0.069 10 1 . . . A 5 ASN CB . 19811 1
52 . 1 1 5 5 ASN N N 15 119.913 0.038 23 1 . . . A 5 ASN N . 19811 1
53 . 1 1 5 5 ASN ND2 N 15 113.907 0.011 11 1 . . . A 5 ASN ND2 . 19811 1
54 . 1 1 6 6 ILE H H 1 9.426 0.009 30 1 . . . A 6 ILE H . 19811 1
55 . 1 1 6 6 ILE HA H 1 5.035 0.004 18 1 . . . A 6 ILE HA . 19811 1
56 . 1 1 6 6 ILE HB H 1 2.079 0.006 21 1 . . . A 6 ILE HB . 19811 1
57 . 1 1 6 6 ILE HG12 H 1 1.362 0.003 7 2 . . . A 6 ILE HG12 . 19811 1
58 . 1 1 6 6 ILE HG13 H 1 1.174 0.006 7 2 . . . A 6 ILE HG13 . 19811 1
59 . 1 1 6 6 ILE HG21 H 1 0.699 0.003 8 1 . . . A 6 ILE HG21 . 19811 1
60 . 1 1 6 6 ILE HG22 H 1 0.699 0.003 8 1 . . . A 6 ILE HG22 . 19811 1
61 . 1 1 6 6 ILE HG23 H 1 0.699 0.003 8 1 . . . A 6 ILE HG23 . 19811 1
62 . 1 1 6 6 ILE HD11 H 1 0.689 0.004 6 1 . . . A 6 ILE HD11 . 19811 1
63 . 1 1 6 6 ILE HD12 H 1 0.689 0.004 6 1 . . . A 6 ILE HD12 . 19811 1
64 . 1 1 6 6 ILE HD13 H 1 0.689 0.004 6 1 . . . A 6 ILE HD13 . 19811 1
65 . 1 1 6 6 ILE CA C 13 57.857 0.098 10 1 . . . A 6 ILE CA . 19811 1
66 . 1 1 6 6 ILE CB C 13 38.947 0.075 5 1 . . . A 6 ILE CB . 19811 1
67 . 1 1 6 6 ILE CG1 C 13 27.582 0.092 5 1 . . . A 6 ILE CG1 . 19811 1
68 . 1 1 6 6 ILE CG2 C 13 19.273 0.056 5 1 . . . A 6 ILE CG2 . 19811 1
69 . 1 1 6 6 ILE CD1 C 13 13.192 0.029 5 1 . . . A 6 ILE CD1 . 19811 1
70 . 1 1 6 6 ILE N N 15 122.674 0.017 26 1 . . . A 6 ILE N . 19811 1
71 . 1 1 7 7 THR H H 1 9.152 0.005 28 1 . . . A 7 THR H . 19811 1
72 . 1 1 7 7 THR HA H 1 4.512 0.003 13 1 . . . A 7 THR HA . 19811 1
73 . 1 1 7 7 THR HB H 1 3.986 0.005 12 1 . . . A 7 THR HB . 19811 1
74 . 1 1 7 7 THR HG21 H 1 1.216 0.005 10 1 . . . A 7 THR HG21 . 19811 1
75 . 1 1 7 7 THR HG22 H 1 1.216 0.005 10 1 . . . A 7 THR HG22 . 19811 1
76 . 1 1 7 7 THR HG23 H 1 1.216 0.005 10 1 . . . A 7 THR HG23 . 19811 1
77 . 1 1 7 7 THR CA C 13 62.639 0.103 9 1 . . . A 7 THR CA . 19811 1
78 . 1 1 7 7 THR CB C 13 69.074 0.100 5 1 . . . A 7 THR CB . 19811 1
79 . 1 1 7 7 THR CG2 C 13 22.539 0.028 4 1 . . . A 7 THR CG2 . 19811 1
80 . 1 1 7 7 THR N N 15 124.398 0.021 27 1 . . . A 7 THR N . 19811 1
81 . 1 1 8 8 LEU H H 1 8.992 0.002 30 1 . . . A 8 LEU H . 19811 1
82 . 1 1 8 8 LEU HA H 1 4.601 0.005 16 1 . . . A 8 LEU HA . 19811 1
83 . 1 1 8 8 LEU HB2 H 1 1.972 0.005 6 2 . . . A 8 LEU HB2 . 19811 1
84 . 1 1 8 8 LEU HB3 H 1 1.583 0.005 6 2 . . . A 8 LEU HB3 . 19811 1
85 . 1 1 8 8 LEU HG H 1 1.721 0.006 2 1 . . . A 8 LEU HG . 19811 1
86 . 1 1 8 8 LEU HD11 H 1 0.843 0.006 2 2 . . . A 8 LEU HD11 . 19811 1
87 . 1 1 8 8 LEU HD12 H 1 0.843 0.006 2 2 . . . A 8 LEU HD12 . 19811 1
88 . 1 1 8 8 LEU HD13 H 1 0.843 0.006 2 2 . . . A 8 LEU HD13 . 19811 1
89 . 1 1 8 8 LEU HD21 H 1 0.761 0.000 1 2 . . . A 8 LEU HD21 . 19811 1
90 . 1 1 8 8 LEU HD22 H 1 0.761 0.000 1 2 . . . A 8 LEU HD22 . 19811 1
91 . 1 1 8 8 LEU HD23 H 1 0.761 0.000 1 2 . . . A 8 LEU HD23 . 19811 1
92 . 1 1 8 8 LEU CA C 13 53.537 0.056 12 1 . . . A 8 LEU CA . 19811 1
93 . 1 1 8 8 LEU CB C 13 39.928 0.015 5 1 . . . A 8 LEU CB . 19811 1
94 . 1 1 8 8 LEU N N 15 127.909 0.025 26 1 . . . A 8 LEU N . 19811 1
95 . 1 1 9 9 PRO HA H 1 4.419 0.005 6 1 . . . A 9 PRO HA . 19811 1
96 . 1 1 9 9 PRO HB2 H 1 2.457 0.006 8 2 . . . A 9 PRO HB2 . 19811 1
97 . 1 1 9 9 PRO HB3 H 1 1.944 0.006 2 2 . . . A 9 PRO HB3 . 19811 1
98 . 1 1 9 9 PRO HG2 H 1 1.973 0.008 2 2 . . . A 9 PRO HG2 . 19811 1
99 . 1 1 9 9 PRO HG3 H 1 1.973 0.008 2 2 . . . A 9 PRO HG3 . 19811 1
100 . 1 1 9 9 PRO HD2 H 1 3.692 0.021 5 2 . . . A 9 PRO HD2 . 19811 1
101 . 1 1 9 9 PRO HD3 H 1 3.692 0.021 5 2 . . . A 9 PRO HD3 . 19811 1
102 . 1 1 9 9 PRO CA C 13 65.184 0.028 3 1 . . . A 9 PRO CA . 19811 1
103 . 1 1 9 9 PRO CB C 13 31.999 0.012 4 1 . . . A 9 PRO CB . 19811 1
104 . 1 1 9 9 PRO CG C 13 27.708 0.000 1 1 . . . A 9 PRO CG . 19811 1
105 . 1 1 9 9 PRO CD C 13 50.611 0.000 1 1 . . . A 9 PRO CD . 19811 1
106 . 1 1 10 10 ASP H H 1 7.678 0.002 22 1 . . . A 10 ASP H . 19811 1
107 . 1 1 10 10 ASP HA H 1 4.490 0.007 9 1 . . . A 10 ASP HA . 19811 1
108 . 1 1 10 10 ASP HB2 H 1 2.991 0.008 8 2 . . . A 10 ASP HB2 . 19811 1
109 . 1 1 10 10 ASP HB3 H 1 2.530 0.008 8 2 . . . A 10 ASP HB3 . 19811 1
110 . 1 1 10 10 ASP CA C 13 53.129 0.058 5 1 . . . A 10 ASP CA . 19811 1
111 . 1 1 10 10 ASP CB C 13 39.986 0.075 4 1 . . . A 10 ASP CB . 19811 1
112 . 1 1 10 10 ASP N N 15 113.521 0.010 21 1 . . . A 10 ASP N . 19811 1
113 . 1 1 11 11 GLY H H 1 8.376 0.002 24 1 . . . A 11 GLY H . 19811 1
114 . 1 1 11 11 GLY HA2 H 1 4.275 0.001 2 2 . . . A 11 GLY HA2 . 19811 1
115 . 1 1 11 11 GLY HA3 H 1 3.561 0.004 5 2 . . . A 11 GLY HA3 . 19811 1
116 . 1 1 11 11 GLY CA C 13 45.218 0.066 2 1 . . . A 11 GLY CA . 19811 1
117 . 1 1 11 11 GLY N N 15 108.658 0.018 21 1 . . . A 11 GLY N . 19811 1
118 . 1 1 12 12 LYS H H 1 7.766 0.006 20 1 . . . A 12 LYS H . 19811 1
119 . 1 1 12 12 LYS HA H 1 4.331 0.005 11 1 . . . A 12 LYS HA . 19811 1
120 . 1 1 12 12 LYS HG2 H 1 1.401 0.009 3 2 . . . A 12 LYS HB2 . 19811 1
121 . 1 1 12 12 LYS HG3 H 1 1.319 0.000 1 2 . . . A 12 LYS HB3 . 19811 1
122 . 1 1 12 12 LYS HB2 H 1 1.996 0.009 7 2 . . . A 12 LYS HG2 . 19811 1
123 . 1 1 12 12 LYS HB3 H 1 1.813 0.007 7 2 . . . A 12 LYS HG3 . 19811 1
124 . 1 1 12 12 LYS HD2 H 1 1.665 0.006 2 2 . . . A 12 LYS HD2 . 19811 1
125 . 1 1 12 12 LYS HD3 H 1 1.665 0.006 2 2 . . . A 12 LYS HD3 . 19811 1
126 . 1 1 12 12 LYS HE2 H 1 2.947 0.015 3 2 . . . A 12 LYS HE2 . 19811 1
127 . 1 1 12 12 LYS HE3 H 1 2.947 0.015 3 2 . . . A 12 LYS HE3 . 19811 1
128 . 1 1 12 12 LYS CA C 13 56.660 0.069 6 1 . . . A 12 LYS CA . 19811 1
129 . 1 1 12 12 LYS CB C 13 33.199 0.058 6 1 . . . A 12 LYS CB . 19811 1
130 . 1 1 12 12 LYS CG C 13 25.855 0.000 1 1 . . . A 12 LYS CG . 19811 1
131 . 1 1 12 12 LYS CD C 13 28.805 0.000 1 1 . . . A 12 LYS CD . 19811 1
132 . 1 1 12 12 LYS CE C 13 42.284 0.000 1 1 . . . A 12 LYS CE . 19811 1
133 . 1 1 12 12 LYS N N 15 121.449 0.050 17 1 . . . A 12 LYS N . 19811 1
134 . 1 1 13 13 THR H H 1 8.248 0.002 29 1 . . . A 13 THR H . 19811 1
135 . 1 1 13 13 THR HA H 1 5.193 0.004 13 1 . . . A 13 THR HA . 19811 1
136 . 1 1 13 13 THR HB H 1 3.826 0.005 8 1 . . . A 13 THR HB . 19811 1
137 . 1 1 13 13 THR HG21 H 1 1.016 0.008 18 1 . . . A 13 THR HG21 . 19811 1
138 . 1 1 13 13 THR HG22 H 1 1.016 0.008 18 1 . . . A 13 THR HG22 . 19811 1
139 . 1 1 13 13 THR HG23 H 1 1.016 0.008 18 1 . . . A 13 THR HG23 . 19811 1
140 . 1 1 13 13 THR CA C 13 61.734 0.073 7 1 . . . A 13 THR CA . 19811 1
141 . 1 1 13 13 THR CB C 13 71.481 0.091 5 1 . . . A 13 THR CB . 19811 1
142 . 1 1 13 13 THR CG2 C 13 21.746 0.015 7 1 . . . A 13 THR CG2 . 19811 1
143 . 1 1 13 13 THR N N 15 113.928 0.010 27 1 . . . A 13 THR N . 19811 1
144 . 1 1 14 14 LEU H H 1 9.270 0.003 29 1 . . . A 14 LEU H . 19811 1
145 . 1 1 14 14 LEU HA H 1 4.739 0.005 14 1 . . . A 14 LEU HA . 19811 1
146 . 1 1 14 14 LEU HB2 H 1 1.647 0.006 13 2 . . . A 14 LEU HB2 . 19811 1
147 . 1 1 14 14 LEU HB3 H 1 1.475 0.005 10 2 . . . A 14 LEU HB3 . 19811 1
148 . 1 1 14 14 LEU HD11 H 1 0.905 0.001 9 2 . . . A 14 LEU HD11 . 19811 1
149 . 1 1 14 14 LEU HD12 H 1 0.905 0.001 9 2 . . . A 14 LEU HD12 . 19811 1
150 . 1 1 14 14 LEU HD13 H 1 0.905 0.001 9 2 . . . A 14 LEU HD13 . 19811 1
151 . 1 1 14 14 LEU HD21 H 1 0.842 0.004 5 2 . . . A 14 LEU HD21 . 19811 1
152 . 1 1 14 14 LEU HD22 H 1 0.842 0.004 5 2 . . . A 14 LEU HD22 . 19811 1
153 . 1 1 14 14 LEU HD23 H 1 0.842 0.004 5 2 . . . A 14 LEU HD23 . 19811 1
154 . 1 1 14 14 LEU CA C 13 53.403 0.058 8 1 . . . A 14 LEU CA . 19811 1
155 . 1 1 14 14 LEU CB C 13 45.480 0.055 9 1 . . . A 14 LEU CB . 19811 1
156 . 1 1 14 14 LEU CG C 13 27.046 0.000 1 1 . . . A 14 LEU CG . 19811 1
157 . 1 1 14 14 LEU CD1 C 13 25.267 0.059 10 2 . . . A 14 LEU CD1 . 19811 1
158 . 1 1 14 14 LEU CD2 C 13 25.267 0.059 10 2 . . . A 14 LEU CD2 . 19811 1
159 . 1 1 14 14 LEU N N 15 128.446 0.048 27 1 . . . A 14 LEU N . 19811 1
160 . 1 1 15 15 THR H H 1 8.759 0.004 25 1 . . . A 15 THR H . 19811 1
161 . 1 1 15 15 THR HA H 1 5.191 0.002 9 1 . . . A 15 THR HA . 19811 1
162 . 1 1 15 15 THR HB H 1 3.800 0.005 6 1 . . . A 15 THR HB . 19811 1
163 . 1 1 15 15 THR HG21 H 1 1.152 0.002 12 1 . . . A 15 THR HG21 . 19811 1
164 . 1 1 15 15 THR HG22 H 1 1.152 0.002 12 1 . . . A 15 THR HG22 . 19811 1
165 . 1 1 15 15 THR HG23 H 1 1.152 0.002 12 1 . . . A 15 THR HG23 . 19811 1
166 . 1 1 15 15 THR CA C 13 61.986 0.088 4 1 . . . A 15 THR CA . 19811 1
167 . 1 1 15 15 THR CB C 13 70.339 0.056 4 1 . . . A 15 THR CB . 19811 1
168 . 1 1 15 15 THR CG2 C 13 21.666 0.015 7 1 . . . A 15 THR CG2 . 19811 1
169 . 1 1 15 15 THR N N 15 123.048 0.027 24 1 . . . A 15 THR N . 19811 1
170 . 1 1 16 16 LEU H H 1 8.551 0.002 25 1 . . . A 16 LEU H . 19811 1
171 . 1 1 16 16 LEU HA H 1 4.770 0.006 17 1 . . . A 16 LEU HA . 19811 1
172 . 1 1 16 16 LEU HB2 H 1 1.451 0.006 11 2 . . . A 16 LEU HB2 . 19811 1
173 . 1 1 16 16 LEU HB3 H 1 1.261 0.006 8 2 . . . A 16 LEU HB3 . 19811 1
174 . 1 1 16 16 LEU HD11 H 1 0.815 0.003 15 2 . . . A 16 LEU HD11 . 19811 1
175 . 1 1 16 16 LEU HD12 H 1 0.815 0.003 15 2 . . . A 16 LEU HD12 . 19811 1
176 . 1 1 16 16 LEU HD13 H 1 0.815 0.003 15 2 . . . A 16 LEU HD13 . 19811 1
177 . 1 1 16 16 LEU HD21 H 1 0.713 0.005 13 2 . . . A 16 LEU HD21 . 19811 1
178 . 1 1 16 16 LEU HD22 H 1 0.713 0.005 13 2 . . . A 16 LEU HD22 . 19811 1
179 . 1 1 16 16 LEU HD23 H 1 0.713 0.005 13 2 . . . A 16 LEU HD23 . 19811 1
180 . 1 1 16 16 LEU CA C 13 53.222 0.044 9 1 . . . A 16 LEU CA . 19811 1
181 . 1 1 16 16 LEU CB C 13 45.322 0.030 6 1 . . . A 16 LEU CB . 19811 1
182 . 1 1 16 16 LEU CG C 13 26.627 0.000 1 1 . . . A 16 LEU CG . 19811 1
183 . 1 1 16 16 LEU CD1 C 13 24.494 0.028 9 2 . . . A 16 LEU CD1 . 19811 1
184 . 1 1 16 16 LEU CD2 C 13 26.441 0.048 8 2 . . . A 16 LEU CD2 . 19811 1
185 . 1 1 16 16 LEU N N 15 125.874 0.047 24 1 . . . A 16 LEU N . 19811 1
186 . 1 1 17 17 THR H H 1 8.342 0.002 21 1 . . . A 17 THR H . 19811 1
187 . 1 1 17 17 THR HA H 1 4.629 0.001 10 1 . . . A 17 THR HA . 19811 1
188 . 1 1 17 17 THR HB H 1 3.931 0.005 7 1 . . . A 17 THR HB . 19811 1
189 . 1 1 17 17 THR HG21 H 1 1.113 0.007 6 1 . . . A 17 THR HG21 . 19811 1
190 . 1 1 17 17 THR HG22 H 1 1.113 0.007 6 1 . . . A 17 THR HG22 . 19811 1
191 . 1 1 17 17 THR HG23 H 1 1.113 0.007 6 1 . . . A 17 THR HG23 . 19811 1
192 . 1 1 17 17 THR CA C 13 61.950 0.047 6 1 . . . A 17 THR CA . 19811 1
193 . 1 1 17 17 THR CB C 13 69.202 0.034 4 1 . . . A 17 THR CB . 19811 1
194 . 1 1 17 17 THR CG2 C 13 22.062 0.004 2 1 . . . A 17 THR CG2 . 19811 1
195 . 1 1 17 17 THR N N 15 117.080 0.030 21 1 . . . A 17 THR N . 19811 1
196 . 1 1 18 18 VAL H H 1 8.131 0.003 20 1 . . . A 18 VAL H . 19811 1
197 . 1 1 18 18 VAL HA H 1 3.910 0.006 14 1 . . . A 18 VAL HA . 19811 1
198 . 1 1 18 18 VAL HB H 1 1.437 0.005 14 1 . . . A 18 VAL HB . 19811 1
199 . 1 1 18 18 VAL HG11 H 1 0.359 0.004 13 2 . . . A 18 VAL HG11 . 19811 1
200 . 1 1 18 18 VAL HG12 H 1 0.359 0.004 13 2 . . . A 18 VAL HG12 . 19811 1
201 . 1 1 18 18 VAL HG13 H 1 0.359 0.004 13 2 . . . A 18 VAL HG13 . 19811 1
202 . 1 1 18 18 VAL HG21 H 1 0.302 0.000 8 2 . . . A 18 VAL HG21 . 19811 1
203 . 1 1 18 18 VAL HG22 H 1 0.302 0.000 8 2 . . . A 18 VAL HG22 . 19811 1
204 . 1 1 18 18 VAL HG23 H 1 0.302 0.000 8 2 . . . A 18 VAL HG23 . 19811 1
205 . 1 1 18 18 VAL CA C 13 58.565 0.074 7 1 . . . A 18 VAL CA . 19811 1
206 . 1 1 18 18 VAL CB C 13 35.910 0.061 8 1 . . . A 18 VAL CB . 19811 1
207 . 1 1 18 18 VAL CG1 C 13 22.124 0.053 8 2 . . . A 18 VAL CG1 . 19811 1
208 . 1 1 18 18 VAL CG2 C 13 17.802 0.025 7 2 . . . A 18 VAL CG2 . 19811 1
209 . 1 1 18 18 VAL N N 15 116.699 0.027 19 1 . . . A 18 VAL N . 19811 1
210 . 1 1 19 19 THR H H 1 6.219 0.002 28 1 . . . A 19 THR H . 19811 1
211 . 1 1 19 19 THR HA H 1 4.807 0.003 8 1 . . . A 19 THR HA . 19811 1
212 . 1 1 19 19 THR HB H 1 4.594 0.002 8 1 . . . A 19 THR HB . 19811 1
213 . 1 1 19 19 THR HG21 H 1 1.176 0.001 7 1 . . . A 19 THR HG21 . 19811 1
214 . 1 1 19 19 THR HG22 H 1 1.176 0.001 7 1 . . . A 19 THR HG22 . 19811 1
215 . 1 1 19 19 THR HG23 H 1 1.176 0.001 7 1 . . . A 19 THR HG23 . 19811 1
216 . 1 1 19 19 THR CA C 13 58.916 0.019 6 1 . . . A 19 THR CA . 19811 1
217 . 1 1 19 19 THR CB C 13 68.674 0.016 4 1 . . . A 19 THR CB . 19811 1
218 . 1 1 19 19 THR CG2 C 13 21.732 0.009 3 1 . . . A 19 THR CG2 . 19811 1
219 . 1 1 19 19 THR N N 15 110.389 0.028 24 1 . . . A 19 THR N . 19811 1
220 . 1 1 20 20 PRO HA H 1 4.382 0.008 12 1 . . . A 20 PRO HA . 19811 1
221 . 1 1 20 20 PRO HB2 H 1 2.406 0.003 11 2 . . . A 20 PRO HB2 . 19811 1
222 . 1 1 20 20 PRO HB3 H 1 1.915 0.003 6 2 . . . A 20 PRO HB3 . 19811 1
223 . 1 1 20 20 PRO HD2 H 1 3.874 0.020 3 2 . . . A 20 PRO HG2 . 19811 1
224 . 1 1 20 20 PRO HD3 H 1 3.874 0.020 3 2 . . . A 20 PRO HG3 . 19811 1
225 . 1 1 20 20 PRO HG2 H 1 2.115 0.000 1 2 . . . A 20 PRO HD2 . 19811 1
226 . 1 1 20 20 PRO HG3 H 1 1.918 0.002 3 2 . . . A 20 PRO HD3 . 19811 1
227 . 1 1 20 20 PRO CA C 13 65.110 0.033 6 1 . . . A 20 PRO CA . 19811 1
228 . 1 1 20 20 PRO CB C 13 31.996 0.014 6 1 . . . A 20 PRO CB . 19811 1
229 . 1 1 20 20 PRO CG C 13 27.996 0.016 4 1 . . . A 20 PRO CG . 19811 1
230 . 1 1 20 20 PRO CD C 13 51.118 0.000 1 1 . . . A 20 PRO CD . 19811 1
231 . 1 1 21 21 GLU H H 1 7.960 0.008 27 1 . . . A 21 GLU H . 19811 1
232 . 1 1 21 21 GLU HA H 1 4.350 0.009 15 1 . . . A 21 GLU HA . 19811 1
233 . 1 1 21 21 GLU HB2 H 1 2.190 0.005 6 2 . . . A 21 GLU HB2 . 19811 1
234 . 1 1 21 21 GLU HB3 H 1 1.990 0.007 6 2 . . . A 21 GLU HB3 . 19811 1
235 . 1 1 21 21 GLU HG2 H 1 2.336 0.006 7 2 . . . A 21 GLU HG2 . 19811 1
236 . 1 1 21 21 GLU HG3 H 1 2.218 0.009 2 2 . . . A 21 GLU HG3 . 19811 1
237 . 1 1 21 21 GLU CA C 13 56.513 0.049 8 1 . . . A 21 GLU CA . 19811 1
238 . 1 1 21 21 GLU CB C 13 29.153 0.046 7 1 . . . A 21 GLU CB . 19811 1
239 . 1 1 21 21 GLU CG C 13 36.780 0.058 3 1 . . . A 21 GLU CG . 19811 1
240 . 1 1 21 21 GLU N N 15 113.087 0.012 24 1 . . . A 21 GLU N . 19811 1
241 . 1 1 22 22 PHE H H 1 7.724 0.002 23 1 . . . A 22 PHE H . 19811 1
242 . 1 1 22 22 PHE HA H 1 4.518 0.005 10 1 . . . A 22 PHE HA . 19811 1
243 . 1 1 22 22 PHE HB2 H 1 3.560 0.005 10 2 . . . A 22 PHE HB2 . 19811 1
244 . 1 1 22 22 PHE HB3 H 1 2.926 0.003 13 2 . . . A 22 PHE HB3 . 19811 1
245 . 1 1 22 22 PHE HD1 H 1 7.262 0.006 11 3 . . . A 22 PHE HD1 . 19811 1
246 . 1 1 22 22 PHE HD2 H 1 7.262 0.006 11 3 . . . A 22 PHE HD2 . 19811 1
247 . 1 1 22 22 PHE CA C 13 58.778 0.048 7 1 . . . A 22 PHE CA . 19811 1
248 . 1 1 22 22 PHE CB C 13 40.224 0.002 2 1 . . . A 22 PHE CB . 19811 1
249 . 1 1 22 22 PHE N N 15 123.828 0.047 20 1 . . . A 22 PHE N . 19811 1
250 . 1 1 23 23 THR H H 1 8.504 0.004 28 1 . . . A 23 THR H . 19811 1
251 . 1 1 23 23 THR HA H 1 4.791 0.007 16 1 . . . A 23 THR HA . 19811 1
252 . 1 1 23 23 THR HB H 1 4.548 0.004 10 1 . . . A 23 THR HB . 19811 1
253 . 1 1 23 23 THR HG21 H 1 1.244 0.003 7 1 . . . A 23 THR HG21 . 19811 1
254 . 1 1 23 23 THR HG22 H 1 1.244 0.003 7 1 . . . A 23 THR HG22 . 19811 1
255 . 1 1 23 23 THR HG23 H 1 1.244 0.003 7 1 . . . A 23 THR HG23 . 19811 1
256 . 1 1 23 23 THR CA C 13 60.340 0.017 6 1 . . . A 23 THR CA . 19811 1
257 . 1 1 23 23 THR CB C 13 71.791 0.010 5 1 . . . A 23 THR CB . 19811 1
258 . 1 1 23 23 THR CG2 C 13 22.188 0.045 3 1 . . . A 23 THR CG2 . 19811 1
259 . 1 1 23 23 THR N N 15 114.031 0.023 26 1 . . . A 23 THR N . 19811 1
260 . 1 1 24 24 VAL H H 1 8.918 0.004 32 1 . . . A 24 VAL H . 19811 1
261 . 1 1 24 24 VAL HA H 1 3.427 0.003 19 1 . . . A 24 VAL HA . 19811 1
262 . 1 1 24 24 VAL HB H 1 2.509 0.005 14 1 . . . A 24 VAL HB . 19811 1
263 . 1 1 24 24 VAL HG11 H 1 0.901 0.003 13 2 . . . A 24 VAL HG11 . 19811 1
264 . 1 1 24 24 VAL HG12 H 1 0.901 0.003 13 2 . . . A 24 VAL HG12 . 19811 1
265 . 1 1 24 24 VAL HG13 H 1 0.901 0.003 13 2 . . . A 24 VAL HG13 . 19811 1
266 . 1 1 24 24 VAL HG21 H 1 0.674 0.003 12 2 . . . A 24 VAL HG21 . 19811 1
267 . 1 1 24 24 VAL HG22 H 1 0.674 0.003 12 2 . . . A 24 VAL HG22 . 19811 1
268 . 1 1 24 24 VAL HG23 H 1 0.674 0.003 12 2 . . . A 24 VAL HG23 . 19811 1
269 . 1 1 24 24 VAL CA C 13 66.745 0.048 10 1 . . . A 24 VAL CA . 19811 1
270 . 1 1 24 24 VAL CB C 13 30.735 0.021 5 1 . . . A 24 VAL CB . 19811 1
271 . 1 1 24 24 VAL CG1 C 13 23.995 0.055 6 2 . . . A 24 VAL CG1 . 19811 1
272 . 1 1 24 24 VAL CG2 C 13 21.330 0.011 7 2 . . . A 24 VAL CG2 . 19811 1
273 . 1 1 24 24 VAL N N 15 122.541 0.044 27 1 . . . A 24 VAL N . 19811 1
274 . 1 1 25 25 LYS H H 1 8.622 0.004 28 1 . . . A 25 LYS H . 19811 1
275 . 1 1 25 25 LYS HA H 1 3.912 0.005 18 1 . . . A 25 LYS HA . 19811 1
276 . 1 1 25 25 LYS HB2 H 1 1.900 0.004 13 2 . . . A 25 LYS HB2 . 19811 1
277 . 1 1 25 25 LYS HB3 H 1 1.665 0.004 6 2 . . . A 25 LYS HB3 . 19811 1
278 . 1 1 25 25 LYS HG2 H 1 1.350 0.003 7 2 . . . A 25 LYS HG2 . 19811 1
279 . 1 1 25 25 LYS HG3 H 1 1.209 0.004 7 2 . . . A 25 LYS HG3 . 19811 1
280 . 1 1 25 25 LYS HD2 H 1 1.564 0.004 7 2 . . . A 25 LYS HD2 . 19811 1
281 . 1 1 25 25 LYS HD3 H 1 1.564 0.004 7 2 . . . A 25 LYS HD3 . 19811 1
282 . 1 1 25 25 LYS HE2 H 1 2.901 0.008 4 2 . . . A 25 LYS HE2 . 19811 1
283 . 1 1 25 25 LYS HE3 H 1 2.901 0.008 4 2 . . . A 25 LYS HE3 . 19811 1
284 . 1 1 25 25 LYS CA C 13 59.950 0.050 14 1 . . . A 25 LYS CA . 19811 1
285 . 1 1 25 25 LYS CB C 13 32.824 0.110 8 1 . . . A 25 LYS CB . 19811 1
286 . 1 1 25 25 LYS CG C 13 24.207 0.027 5 1 . . . A 25 LYS CG . 19811 1
287 . 1 1 25 25 LYS CD C 13 29.686 0.050 5 1 . . . A 25 LYS CD . 19811 1
288 . 1 1 25 25 LYS CE C 13 42.127 0.000 1 1 . . . A 25 LYS CE . 19811 1
289 . 1 1 25 25 LYS N N 15 121.079 0.065 25 1 . . . A 25 LYS N . 19811 1
290 . 1 1 26 26 GLU H H 1 7.734 0.003 38 1 . . . A 26 GLU H . 19811 1
291 . 1 1 26 26 GLU HA H 1 3.859 0.004 11 1 . . . A 26 GLU HA . 19811 1
292 . 1 1 26 26 GLU HB2 H 1 1.716 0.008 8 2 . . . A 26 GLU HB2 . 19811 1
293 . 1 1 26 26 GLU HB3 H 1 1.407 0.005 8 2 . . . A 26 GLU HB3 . 19811 1
294 . 1 1 26 26 GLU HG2 H 1 2.002 0.006 3 2 . . . A 26 GLU HG2 . 19811 1
295 . 1 1 26 26 GLU HG3 H 1 1.933 0.005 4 2 . . . A 26 GLU HG3 . 19811 1
296 . 1 1 26 26 GLU CA C 13 59.012 0.086 5 1 . . . A 26 GLU CA . 19811 1
297 . 1 1 26 26 GLU CB C 13 29.344 0.031 4 1 . . . A 26 GLU CB . 19811 1
298 . 1 1 26 26 GLU CG C 13 37.402 0.067 7 1 . . . A 26 GLU CG . 19811 1
299 . 1 1 26 26 GLU N N 15 118.646 0.035 34 1 . . . A 26 GLU N . 19811 1
300 . 1 1 27 27 LEU H H 1 8.000 0.002 33 1 . . . A 27 LEU H . 19811 1
301 . 1 1 27 27 LEU HA H 1 4.136 0.007 20 1 . . . A 27 LEU HA . 19811 1
302 . 1 1 27 27 LEU HB2 H 1 2.092 0.005 17 2 . . . A 27 LEU HB2 . 19811 1
303 . 1 1 27 27 LEU HB3 H 1 1.566 0.010 10 2 . . . A 27 LEU HB3 . 19811 1
304 . 1 1 27 27 LEU HD11 H 1 0.907 0.003 9 2 . . . A 27 LEU HG . 19811 1
305 . 1 1 27 27 LEU HD12 H 1 0.907 0.003 9 2 . . . A 27 LEU HD11 . 19811 1
306 . 1 1 27 27 LEU HD13 H 1 0.907 0.003 9 2 . . . A 27 LEU HD12 . 19811 1
307 . 1 1 27 27 LEU HD21 H 1 0.796 0.004 3 2 . . . A 27 LEU HD13 . 19811 1
308 . 1 1 27 27 LEU HD22 H 1 0.796 0.004 3 2 . . . A 27 LEU HD21 . 19811 1
309 . 1 1 27 27 LEU HD23 H 1 0.796 0.004 3 2 . . . A 27 LEU HD22 . 19811 1
310 . 1 1 27 27 LEU HG H 1 0.800 0.002 5 1 . . . A 27 LEU HD23 . 19811 1
311 . 1 1 27 27 LEU CA C 13 58.226 0.058 10 1 . . . A 27 LEU CA . 19811 1
312 . 1 1 27 27 LEU CB C 13 41.986 0.048 10 1 . . . A 27 LEU CB . 19811 1
313 . 1 1 27 27 LEU CG C 13 27.068 0.087 6 1 . . . A 27 LEU CG . 19811 1
314 . 1 1 27 27 LEU CD1 C 13 24.666 0.060 5 2 . . . A 27 LEU CD1 . 19811 1
315 . 1 1 27 27 LEU CD2 C 13 24.666 0.060 5 2 . . . A 27 LEU CD2 . 19811 1
316 . 1 1 27 27 LEU N N 15 122.155 0.028 30 1 . . . A 27 LEU N . 19811 1
317 . 1 1 28 28 ALA H H 1 8.899 0.002 34 1 . . . A 28 ALA H . 19811 1
318 . 1 1 28 28 ALA HA H 1 3.837 0.004 13 1 . . . A 28 ALA HA . 19811 1
319 . 1 1 28 28 ALA HB1 H 1 1.473 0.003 9 1 . . . A 28 ALA HB1 . 19811 1
320 . 1 1 28 28 ALA HB2 H 1 1.473 0.003 9 1 . . . A 28 ALA HB2 . 19811 1
321 . 1 1 28 28 ALA HB3 H 1 1.473 0.003 9 1 . . . A 28 ALA HB3 . 19811 1
322 . 1 1 28 28 ALA CA C 13 55.872 0.016 5 1 . . . A 28 ALA CA . 19811 1
323 . 1 1 28 28 ALA CB C 13 17.902 0.168 5 1 . . . A 28 ALA CB . 19811 1
324 . 1 1 28 28 ALA N N 15 121.362 0.014 29 1 . . . A 28 ALA N . 19811 1
325 . 1 1 29 29 GLU H H 1 8.437 0.004 23 1 . . . A 29 GLU H . 19811 1
326 . 1 1 29 29 GLU HA H 1 3.814 0.007 10 1 . . . A 29 GLU HA . 19811 1
327 . 1 1 29 29 GLU HB2 H 1 2.161 0.007 8 2 . . . A 29 GLU HB2 . 19811 1
328 . 1 1 29 29 GLU HB3 H 1 1.964 0.007 7 2 . . . A 29 GLU HB3 . 19811 1
329 . 1 1 29 29 GLU HG2 H 1 2.537 0.003 4 2 . . . A 29 GLU HG2 . 19811 1
330 . 1 1 29 29 GLU HG3 H 1 2.538 0.003 6 2 . . . A 29 GLU HG3 . 19811 1
331 . 1 1 29 29 GLU CA C 13 59.849 0.053 6 1 . . . A 29 GLU CA . 19811 1
332 . 1 1 29 29 GLU CB C 13 29.185 0.037 5 1 . . . A 29 GLU CB . 19811 1
333 . 1 1 29 29 GLU CG C 13 37.129 0.013 4 1 . . . A 29 GLU CG . 19811 1
334 . 1 1 29 29 GLU N N 15 116.582 0.017 20 1 . . . A 29 GLU N . 19811 1
335 . 1 1 30 30 GLU H H 1 7.877 0.002 25 1 . . . A 30 GLU H . 19811 1
336 . 1 1 30 30 GLU HA H 1 4.293 0.005 13 1 . . . A 30 GLU HA . 19811 1
337 . 1 1 30 30 GLU HB2 H 1 2.328 0.004 14 2 . . . A 30 GLU HB2 . 19811 1
338 . 1 1 30 30 GLU HB3 H 1 2.117 0.005 8 2 . . . A 30 GLU HB3 . 19811 1
339 . 1 1 30 30 GLU HG2 H 1 2.659 0.002 6 2 . . . A 30 GLU HG2 . 19811 1
340 . 1 1 30 30 GLU HG3 H 1 2.122 0.003 5 2 . . . A 30 GLU HG3 . 19811 1
341 . 1 1 30 30 GLU CA C 13 58.829 0.170 5 1 . . . A 30 GLU CA . 19811 1
342 . 1 1 30 30 GLU CB C 13 28.720 0.104 8 1 . . . A 30 GLU CB . 19811 1
343 . 1 1 30 30 GLU CG C 13 35.438 0.046 8 1 . . . A 30 GLU CG . 19811 1
344 . 1 1 30 30 GLU N N 15 121.430 0.032 23 1 . . . A 30 GLU N . 19811 1
345 . 1 1 31 31 ILE H H 1 8.438 0.003 30 1 . . . A 31 ILE H . 19811 1
346 . 1 1 31 31 ILE HA H 1 3.289 0.005 13 1 . . . A 31 ILE HA . 19811 1
347 . 1 1 31 31 ILE HB H 1 1.737 0.007 10 1 . . . A 31 ILE HB . 19811 1
348 . 1 1 31 31 ILE HD11 H 1 0.750 0.005 11 1 . . . A 31 ILE HG21 . 19811 1
349 . 1 1 31 31 ILE HD12 H 1 0.750 0.005 11 1 . . . A 31 ILE HG22 . 19811 1
350 . 1 1 31 31 ILE HD13 H 1 0.750 0.005 11 1 . . . A 31 ILE HG23 . 19811 1
351 . 1 1 31 31 ILE HG21 H 1 0.732 0.001 5 1 . . . A 31 ILE HD11 . 19811 1
352 . 1 1 31 31 ILE HG22 H 1 0.732 0.001 5 1 . . . A 31 ILE HD12 . 19811 1
353 . 1 1 31 31 ILE HG23 H 1 0.732 0.001 5 1 . . . A 31 ILE HD13 . 19811 1
354 . 1 1 31 31 ILE CA C 13 65.937 0.033 5 1 . . . A 31 ILE CA . 19811 1
355 . 1 1 31 31 ILE CB C 13 38.338 0.074 4 1 . . . A 31 ILE CB . 19811 1
356 . 1 1 31 31 ILE CG1 C 13 29.910 0.000 1 1 . . . A 31 ILE CG1 . 19811 1
357 . 1 1 31 31 ILE CG2 C 13 18.701 0.042 6 1 . . . A 31 ILE CG2 . 19811 1
358 . 1 1 31 31 ILE CD1 C 13 16.452 0.016 9 1 . . . A 31 ILE CD1 . 19811 1
359 . 1 1 31 31 ILE N N 15 119.644 0.038 28 1 . . . A 31 ILE N . 19811 1
360 . 1 1 32 32 ALA H H 1 8.609 0.004 29 1 . . . A 32 ALA H . 19811 1
361 . 1 1 32 32 ALA HA H 1 3.637 0.012 6 1 . . . A 32 ALA HA . 19811 1
362 . 1 1 32 32 ALA HB1 H 1 1.298 0.005 20 1 . . . A 32 ALA HB1 . 19811 1
363 . 1 1 32 32 ALA HB2 H 1 1.298 0.005 20 1 . . . A 32 ALA HB2 . 19811 1
364 . 1 1 32 32 ALA HB3 H 1 1.298 0.005 20 1 . . . A 32 ALA HB3 . 19811 1
365 . 1 1 32 32 ALA CA C 13 56.071 0.098 3 1 . . . A 32 ALA CA . 19811 1
366 . 1 1 32 32 ALA CB C 13 17.287 0.011 7 1 . . . A 32 ALA CB . 19811 1
367 . 1 1 32 32 ALA N N 15 120.190 0.048 24 1 . . . A 32 ALA N . 19811 1
368 . 1 1 33 33 ARG H H 1 7.817 0.002 15 1 . . . A 33 ARG H . 19811 1
369 . 1 1 33 33 ARG HA H 1 4.085 0.004 16 1 . . . A 33 ARG HA . 19811 1
370 . 1 1 33 33 ARG HB2 H 1 2.061 0.003 8 2 . . . A 33 ARG HB2 . 19811 1
371 . 1 1 33 33 ARG HB3 H 1 1.919 0.005 8 2 . . . A 33 ARG HB3 . 19811 1
372 . 1 1 33 33 ARG HG2 H 1 1.801 0.002 5 2 . . . A 33 ARG HG2 . 19811 1
373 . 1 1 33 33 ARG HG3 H 1 1.611 0.004 7 2 . . . A 33 ARG HG3 . 19811 1
374 . 1 1 33 33 ARG HD2 H 1 3.249 0.008 11 2 . . . A 33 ARG HD2 . 19811 1
375 . 1 1 33 33 ARG HD3 H 1 3.249 0.008 11 2 . . . A 33 ARG HD3 . 19811 1
376 . 1 1 33 33 ARG CA C 13 59.367 0.026 10 1 . . . A 33 ARG CA . 19811 1
377 . 1 1 33 33 ARG CB C 13 30.575 0.074 5 1 . . . A 33 ARG CB . 19811 1
378 . 1 1 33 33 ARG CG C 13 28.110 0.059 6 1 . . . A 33 ARG CG . 19811 1
379 . 1 1 33 33 ARG CD C 13 43.283 0.091 5 1 . . . A 33 ARG CD . 19811 1
380 . 1 1 33 33 ARG N N 15 116.846 0.060 14 1 . . . A 33 ARG N . 19811 1
381 . 1 1 34 34 ARG H H 1 7.922 0.001 21 1 . . . A 34 ARG H . 19811 1
382 . 1 1 34 34 ARG HA H 1 4.078 0.003 10 1 . . . A 34 ARG HA . 19811 1
383 . 1 1 34 34 ARG HB2 H 1 1.900 0.007 7 2 . . . A 34 ARG HB2 . 19811 1
384 . 1 1 34 34 ARG HB3 H 1 1.900 0.007 7 2 . . . A 34 ARG HB3 . 19811 1
385 . 1 1 34 34 ARG HD2 H 1 3.240 0.004 6 2 . . . A 34 ARG HG2 . 19811 1
386 . 1 1 34 34 ARG HD3 H 1 2.996 0.004 9 2 . . . A 34 ARG HG3 . 19811 1
387 . 1 1 34 34 ARG HG2 H 1 1.847 0.006 2 2 . . . A 34 ARG HD2 . 19811 1
388 . 1 1 34 34 ARG HG3 H 1 1.847 0.006 2 2 . . . A 34 ARG HD3 . 19811 1
389 . 1 1 34 34 ARG CA C 13 58.321 0.107 5 1 . . . A 34 ARG CA . 19811 1
390 . 1 1 34 34 ARG CB C 13 29.771 0.114 4 1 . . . A 34 ARG CB . 19811 1
391 . 1 1 34 34 ARG CG C 13 27.896 0.000 1 1 . . . A 34 ARG CG . 19811 1
392 . 1 1 34 34 ARG CD C 13 42.929 0.075 3 1 . . . A 34 ARG CD . 19811 1
393 . 1 1 34 34 ARG N N 15 118.212 0.027 21 1 . . . A 34 ARG N . 19811 1
394 . 1 1 35 35 LEU H H 1 7.999 0.001 24 1 . . . A 35 LEU H . 19811 1
395 . 1 1 35 35 LEU HA H 1 4.426 0.004 9 1 . . . A 35 LEU HA . 19811 1
396 . 1 1 35 35 LEU HB2 H 1 1.595 0.009 4 2 . . . A 35 LEU HB2 . 19811 1
397 . 1 1 35 35 LEU HB3 H 1 1.482 0.007 5 2 . . . A 35 LEU HB3 . 19811 1
398 . 1 1 35 35 LEU HD11 H 1 0.789 0.001 6 2 . . . A 35 LEU HG . 19811 1
399 . 1 1 35 35 LEU HD12 H 1 0.789 0.001 6 2 . . . A 35 LEU HD11 . 19811 1
400 . 1 1 35 35 LEU HD13 H 1 0.789 0.001 6 2 . . . A 35 LEU HD12 . 19811 1
401 . 1 1 35 35 LEU HD21 H 1 0.712 0.000 1 2 . . . A 35 LEU HD13 . 19811 1
402 . 1 1 35 35 LEU HD22 H 1 0.712 0.000 1 2 . . . A 35 LEU HD21 . 19811 1
403 . 1 1 35 35 LEU HD23 H 1 0.712 0.000 1 2 . . . A 35 LEU HD22 . 19811 1
404 . 1 1 35 35 LEU HG H 1 1.737 0.009 2 1 . . . A 35 LEU HD23 . 19811 1
405 . 1 1 35 35 LEU CA C 13 54.601 0.040 4 1 . . . A 35 LEU CA . 19811 1
406 . 1 1 35 35 LEU CB C 13 42.895 0.021 3 1 . . . A 35 LEU CB . 19811 1
407 . 1 1 35 35 LEU CG C 13 26.326 0.000 1 1 . . . A 35 LEU CG . 19811 1
408 . 1 1 35 35 LEU CD1 C 13 22.017 0.027 5 2 . . . A 35 LEU CD1 . 19811 1
409 . 1 1 35 35 LEU CD2 C 13 22.017 0.027 5 2 . . . A 35 LEU CD2 . 19811 1
410 . 1 1 35 35 LEU N N 15 115.523 0.038 23 1 . . . A 35 LEU N . 19811 1
411 . 1 1 36 36 GLY H H 1 7.864 0.002 18 1 . . . A 36 GLY H . 19811 1
412 . 1 1 36 36 GLY HA2 H 1 3.945 0.002 5 2 . . . A 36 GLY HA2 . 19811 1
413 . 1 1 36 36 GLY HA3 H 1 3.945 0.002 5 2 . . . A 36 GLY HA3 . 19811 1
414 . 1 1 36 36 GLY CA C 13 46.906 0.057 2 1 . . . A 36 GLY CA . 19811 1
415 . 1 1 36 36 GLY N N 15 110.277 0.047 16 1 . . . A 36 GLY N . 19811 1
416 . 1 1 37 37 LEU H H 1 8.025 0.002 18 1 . . . A 37 LEU H . 19811 1
417 . 1 1 37 37 LEU HA H 1 4.691 0.002 17 1 . . . A 37 LEU HA . 19811 1
418 . 1 1 37 37 LEU HB2 H 1 1.804 0.003 12 2 . . . A 37 LEU HB2 . 19811 1
419 . 1 1 37 37 LEU HB3 H 1 1.238 0.008 8 2 . . . A 37 LEU HB3 . 19811 1
420 . 1 1 37 37 LEU HD11 H 1 0.830 0.001 10 2 . . . A 37 LEU HG . 19811 1
421 . 1 1 37 37 LEU HD12 H 1 0.830 0.001 10 2 . . . A 37 LEU HD11 . 19811 1
422 . 1 1 37 37 LEU HD13 H 1 0.830 0.001 10 2 . . . A 37 LEU HD12 . 19811 1
423 . 1 1 37 37 LEU HD21 H 1 0.735 0.003 4 2 . . . A 37 LEU HD13 . 19811 1
424 . 1 1 37 37 LEU HD22 H 1 0.735 0.003 4 2 . . . A 37 LEU HD21 . 19811 1
425 . 1 1 37 37 LEU HD23 H 1 0.735 0.003 4 2 . . . A 37 LEU HD22 . 19811 1
426 . 1 1 37 37 LEU HG H 1 1.433 0.003 6 1 . . . A 37 LEU HD23 . 19811 1
427 . 1 1 37 37 LEU CA C 13 52.642 0.145 13 1 . . . A 37 LEU CA . 19811 1
428 . 1 1 37 37 LEU CB C 13 45.355 0.062 6 1 . . . A 37 LEU CB . 19811 1
429 . 1 1 37 37 LEU CG C 13 26.517 0.026 2 1 . . . A 37 LEU CG . 19811 1
430 . 1 1 37 37 LEU CD1 C 13 22.373 0.011 6 2 . . . A 37 LEU CD1 . 19811 1
431 . 1 1 37 37 LEU N N 15 119.310 0.044 17 1 . . . A 37 LEU N . 19811 1
432 . 1 1 38 38 SER H H 1 8.662 0.003 23 1 . . . A 38 SER H . 19811 1
433 . 1 1 38 38 SER HA H 1 4.955 0.006 10 1 . . . A 38 SER HA . 19811 1
434 . 1 1 38 38 SER HB2 H 1 3.822 0.004 3 2 . . . A 38 SER HB2 . 19811 1
435 . 1 1 38 38 SER HB3 H 1 3.631 0.002 2 2 . . . A 38 SER HB3 . 19811 1
436 . 1 1 38 38 SER CA C 13 55.376 0.062 6 1 . . . A 38 SER CA . 19811 1
437 . 1 1 38 38 SER CB C 13 63.732 0.101 2 1 . . . A 38 SER CB . 19811 1
438 . 1 1 38 38 SER N N 15 115.906 0.031 21 1 . . . A 38 SER N . 19811 1
439 . 1 1 39 39 PRO HA H 1 3.976 0.009 19 1 . . . A 39 PRO HA . 19811 1
440 . 1 1 39 39 PRO HB2 H 1 2.060 0.001 5 2 . . . A 39 PRO HB2 . 19811 1
441 . 1 1 39 39 PRO HB3 H 1 1.988 0.005 7 2 . . . A 39 PRO HB3 . 19811 1
442 . 1 1 39 39 PRO HG2 H 1 2.176 0.002 4 2 . . . A 39 PRO HG2 . 19811 1
443 . 1 1 39 39 PRO HG3 H 1 1.978 0.002 5 2 . . . A 39 PRO HG3 . 19811 1
444 . 1 1 39 39 PRO HD2 H 1 3.933 0.002 6 2 . . . A 39 PRO HD2 . 19811 1
445 . 1 1 39 39 PRO HD3 H 1 3.800 0.000 2 2 . . . A 39 PRO HD3 . 19811 1
446 . 1 1 39 39 PRO CA C 13 65.434 0.034 9 1 . . . A 39 PRO CA . 19811 1
447 . 1 1 39 39 PRO CB C 13 31.527 0.013 6 1 . . . A 39 PRO CB . 19811 1
448 . 1 1 39 39 PRO CG C 13 28.078 0.024 6 1 . . . A 39 PRO CG . 19811 1
449 . 1 1 39 39 PRO CD C 13 50.585 0.057 7 1 . . . A 39 PRO CD . 19811 1
450 . 1 1 40 40 GLU H H 1 8.455 0.002 20 1 . . . A 40 GLU H . 19811 1
451 . 1 1 40 40 GLU HA H 1 4.115 0.004 14 1 . . . A 40 GLU HA . 19811 1
452 . 1 1 40 40 GLU HB2 H 1 2.020 0.004 6 2 . . . A 40 GLU HB2 . 19811 1
453 . 1 1 40 40 GLU HB3 H 1 1.880 0.011 7 2 . . . A 40 GLU HB3 . 19811 1
454 . 1 1 40 40 GLU HG2 H 1 2.221 0.006 9 2 . . . A 40 GLU HG2 . 19811 1
455 . 1 1 40 40 GLU HG3 H 1 2.221 0.006 9 2 . . . A 40 GLU HG3 . 19811 1
456 . 1 1 40 40 GLU CA C 13 57.861 0.117 9 1 . . . A 40 GLU CA . 19811 1
457 . 1 1 40 40 GLU CB C 13 28.842 0.046 4 1 . . . A 40 GLU CB . 19811 1
458 . 1 1 40 40 GLU CG C 13 36.264 0.037 4 1 . . . A 40 GLU CG . 19811 1
459 . 1 1 40 40 GLU N N 15 115.609 0.028 18 1 . . . A 40 GLU N . 19811 1
460 . 1 1 41 41 ASP H H 1 7.814 0.002 30 1 . . . A 41 ASP H . 19811 1
461 . 1 1 41 41 ASP HA H 1 4.711 0.006 13 1 . . . A 41 ASP HA . 19811 1
462 . 1 1 41 41 ASP HB2 H 1 2.939 0.003 7 2 . . . A 41 ASP HB2 . 19811 1
463 . 1 1 41 41 ASP HB3 H 1 2.811 0.006 11 2 . . . A 41 ASP HB3 . 19811 1
464 . 1 1 41 41 ASP CA C 13 54.862 0.047 8 1 . . . A 41 ASP CA . 19811 1
465 . 1 1 41 41 ASP CB C 13 41.920 0.056 4 1 . . . A 41 ASP CB . 19811 1
466 . 1 1 41 41 ASP N N 15 118.239 0.031 26 1 . . . A 41 ASP N . 19811 1
467 . 1 1 42 42 ILE H H 1 7.069 0.002 28 1 . . . A 42 ILE H . 19811 1
468 . 1 1 42 42 ILE HA H 1 4.305 0.004 23 1 . . . A 42 ILE HA . 19811 1
469 . 1 1 42 42 ILE HB H 1 2.002 0.004 15 1 . . . A 42 ILE HB . 19811 1
470 . 1 1 42 42 ILE HG12 H 1 1.495 0.004 11 2 . . . A 42 ILE HG12 . 19811 1
471 . 1 1 42 42 ILE HG13 H 1 1.279 0.004 9 2 . . . A 42 ILE HG13 . 19811 1
472 . 1 1 42 42 ILE HG21 H 1 0.730 0.002 10 1 . . . A 42 ILE HG21 . 19811 1
473 . 1 1 42 42 ILE HG22 H 1 0.730 0.002 10 1 . . . A 42 ILE HG22 . 19811 1
474 . 1 1 42 42 ILE HG23 H 1 0.730 0.002 10 1 . . . A 42 ILE HG23 . 19811 1
475 . 1 1 42 42 ILE HD11 H 1 0.682 0.000 6 1 . . . A 42 ILE HD11 . 19811 1
476 . 1 1 42 42 ILE HD12 H 1 0.682 0.000 6 1 . . . A 42 ILE HD12 . 19811 1
477 . 1 1 42 42 ILE HD13 H 1 0.682 0.000 6 1 . . . A 42 ILE HD13 . 19811 1
478 . 1 1 42 42 ILE CA C 13 60.232 0.060 13 1 . . . A 42 ILE CA . 19811 1
479 . 1 1 42 42 ILE CB C 13 39.070 0.086 7 1 . . . A 42 ILE CB . 19811 1
480 . 1 1 42 42 ILE CG1 C 13 26.787 0.061 5 1 . . . A 42 ILE CG1 . 19811 1
481 . 1 1 42 42 ILE CG2 C 13 17.485 0.041 7 1 . . . A 42 ILE CG2 . 19811 1
482 . 1 1 42 42 ILE CD1 C 13 13.173 0.092 7 1 . . . A 42 ILE CD1 . 19811 1
483 . 1 1 42 42 ILE N N 15 116.579 0.014 24 1 . . . A 42 ILE N . 19811 1
484 . 1 1 43 43 LYS H H 1 8.709 0.002 32 1 . . . A 43 LYS H . 19811 1
485 . 1 1 43 43 LYS HA H 1 4.489 0.003 8 1 . . . A 43 LYS HA . 19811 1
486 . 1 1 43 43 LYS HB2 H 1 1.670 0.007 5 2 . . . A 43 LYS HB2 . 19811 1
487 . 1 1 43 43 LYS HB3 H 1 1.533 0.007 5 2 . . . A 43 LYS HB3 . 19811 1
488 . 1 1 43 43 LYS HG2 H 1 1.091 0.005 7 2 . . . A 43 LYS HG2 . 19811 1
489 . 1 1 43 43 LYS HG3 H 1 1.091 0.005 7 2 . . . A 43 LYS HG3 . 19811 1
490 . 1 1 43 43 LYS HD2 H 1 1.349 0.005 4 2 . . . A 43 LYS HD2 . 19811 1
491 . 1 1 43 43 LYS HD3 H 1 1.349 0.005 4 2 . . . A 43 LYS HD3 . 19811 1
492 . 1 1 43 43 LYS HE2 H 1 2.832 0.012 4 2 . . . A 43 LYS HE2 . 19811 1
493 . 1 1 43 43 LYS HE3 H 1 2.702 0.010 5 2 . . . A 43 LYS HE3 . 19811 1
494 . 1 1 43 43 LYS CA C 13 54.924 0.072 6 1 . . . A 43 LYS CA . 19811 1
495 . 1 1 43 43 LYS CB C 13 35.322 0.123 5 1 . . . A 43 LYS CB . 19811 1
496 . 1 1 43 43 LYS CG C 13 24.600 0.000 1 1 . . . A 43 LYS CG . 19811 1
497 . 1 1 43 43 LYS CD C 13 29.173 0.000 1 1 . . . A 43 LYS CD . 19811 1
498 . 1 1 43 43 LYS CE C 13 41.863 0.036 3 1 . . . A 43 LYS CE . 19811 1
499 . 1 1 43 43 LYS N N 15 128.374 0.026 30 1 . . . A 43 LYS N . 19811 1
500 . 1 1 44 44 LEU H H 1 8.929 0.002 23 1 . . . A 44 LEU H . 19811 1
501 . 1 1 44 44 LEU HA H 1 5.368 0.005 25 1 . . . A 44 LEU HA . 19811 1
502 . 1 1 44 44 LEU HB2 H 1 1.606 0.006 9 2 . . . A 44 LEU HB2 . 19811 1
503 . 1 1 44 44 LEU HB3 H 1 1.100 0.006 9 2 . . . A 44 LEU HB3 . 19811 1
504 . 1 1 44 44 LEU HG H 1 1.500 0.003 4 1 . . . A 44 LEU HG . 19811 1
505 . 1 1 44 44 LEU HD11 H 1 0.723 0.005 18 2 . . . A 44 LEU HD11 . 19811 1
506 . 1 1 44 44 LEU HD12 H 1 0.723 0.005 18 2 . . . A 44 LEU HD12 . 19811 1
507 . 1 1 44 44 LEU HD13 H 1 0.723 0.005 18 2 . . . A 44 LEU HD13 . 19811 1
508 . 1 1 44 44 LEU HD21 H 1 0.723 0.005 18 2 . . . A 44 LEU HD21 . 19811 1
509 . 1 1 44 44 LEU HD22 H 1 0.723 0.005 18 2 . . . A 44 LEU HD22 . 19811 1
510 . 1 1 44 44 LEU HD23 H 1 0.723 0.005 18 2 . . . A 44 LEU HD23 . 19811 1
511 . 1 1 44 44 LEU CA C 13 52.839 0.074 15 1 . . . A 44 LEU CA . 19811 1
512 . 1 1 44 44 LEU CB C 13 44.529 0.038 4 1 . . . A 44 LEU CB . 19811 1
513 . 1 1 44 44 LEU CD1 C 13 23.688 0.090 5 2 . . . A 44 LEU CG . 19811 1
514 . 1 1 44 44 LEU CD2 C 13 23.688 0.090 5 2 . . . A 44 LEU CD1 . 19811 1
515 . 1 1 44 44 LEU CG C 13 25.825 0.014 5 1 . . . A 44 LEU CD2 . 19811 1
516 . 1 1 44 44 LEU N N 15 126.700 0.041 22 1 . . . A 44 LEU N . 19811 1
517 . 1 1 45 45 THR H H 1 8.846 0.003 26 1 . . . A 45 THR H . 19811 1
518 . 1 1 45 45 THR HA H 1 5.282 0.003 18 1 . . . A 45 THR HA . 19811 1
519 . 1 1 45 45 THR HB H 1 3.666 0.005 13 1 . . . A 45 THR HB . 19811 1
520 . 1 1 45 45 THR HG21 H 1 0.889 0.003 17 1 . . . A 45 THR HG21 . 19811 1
521 . 1 1 45 45 THR HG22 H 1 0.889 0.003 17 1 . . . A 45 THR HG22 . 19811 1
522 . 1 1 45 45 THR HG23 H 1 0.889 0.003 17 1 . . . A 45 THR HG23 . 19811 1
523 . 1 1 45 45 THR CA C 13 59.240 0.033 8 1 . . . A 45 THR CA . 19811 1
524 . 1 1 45 45 THR CB C 13 72.146 0.019 5 1 . . . A 45 THR CB . 19811 1
525 . 1 1 45 45 THR CG2 C 13 21.306 0.035 9 1 . . . A 45 THR CG2 . 19811 1
526 . 1 1 45 45 THR N N 15 112.945 0.049 25 1 . . . A 45 THR N . 19811 1
527 . 1 1 46 46 HIS H H 1 8.620 0.003 17 1 . . . A 46 HIS H . 19811 1
528 . 1 1 46 46 HIS HA H 1 4.956 0.007 11 1 . . . A 46 HIS HA . 19811 1
529 . 1 1 46 46 HIS HB2 H 1 2.871 0.001 4 2 . . . A 46 HIS HB2 . 19811 1
530 . 1 1 46 46 HIS HB3 H 1 2.797 0.002 5 2 . . . A 46 HIS HB3 . 19811 1
531 . 1 1 46 46 HIS CA C 13 55.757 0.033 3 1 . . . A 46 HIS CA . 19811 1
532 . 1 1 46 46 HIS CB C 13 34.673 0.042 8 1 . . . A 46 HIS CB . 19811 1
533 . 1 1 46 46 HIS N N 15 120.347 0.032 15 1 . . . A 46 HIS N . 19811 1
534 . 1 1 47 47 ASN H H 1 9.136 0.003 17 1 . . . A 47 ASN H . 19811 1
535 . 1 1 47 47 ASN HA H 1 4.178 0.002 10 1 . . . A 47 ASN HA . 19811 1
536 . 1 1 47 47 ASN HB2 H 1 2.920 0.010 10 2 . . . A 47 ASN HB2 . 19811 1
537 . 1 1 47 47 ASN HB3 H 1 2.290 0.003 10 2 . . . A 47 ASN HB3 . 19811 1
538 . 1 1 47 47 ASN HD21 H 1 7.324 0.011 6 2 . . . A 47 ASN HD21 . 19811 1
539 . 1 1 47 47 ASN HD22 H 1 6.691 0.001 6 2 . . . A 47 ASN HD22 . 19811 1
540 . 1 1 47 47 ASN CA C 13 53.481 0.016 6 1 . . . A 47 ASN CA . 19811 1
541 . 1 1 47 47 ASN CB C 13 36.888 0.100 4 1 . . . A 47 ASN CB . 19811 1
542 . 1 1 47 47 ASN N N 15 128.187 0.056 16 1 . . . A 47 ASN N . 19811 1
543 . 1 1 47 47 ASN ND2 N 15 111.650 0.009 11 1 . . . A 47 ASN ND2 . 19811 1
544 . 1 1 48 48 GLY H H 1 8.633 0.002 24 1 . . . A 48 GLY H . 19811 1
545 . 1 1 48 48 GLY HA2 H 1 4.110 0.006 5 2 . . . A 48 GLY HA2 . 19811 1
546 . 1 1 48 48 GLY HA3 H 1 3.537 0.006 4 2 . . . A 48 GLY HA3 . 19811 1
547 . 1 1 48 48 GLY CA C 13 45.279 0.090 3 1 . . . A 48 GLY CA . 19811 1
548 . 1 1 48 48 GLY N N 15 103.028 0.023 22 1 . . . A 48 GLY N . 19811 1
549 . 1 1 49 49 LYS H H 1 7.790 0.002 22 1 . . . A 49 LYS H . 19811 1
550 . 1 1 49 49 LYS HA H 1 4.572 0.003 8 1 . . . A 49 LYS HA . 19811 1
551 . 1 1 49 49 LYS HB2 H 1 1.851 0.011 11 2 . . . A 49 LYS HB2 . 19811 1
552 . 1 1 49 49 LYS HB3 H 1 1.851 0.011 11 2 . . . A 49 LYS HB3 . 19811 1
553 . 1 1 49 49 LYS HE2 H 1 3.094 0.007 4 2 . . . A 49 LYS HG2 . 19811 1
554 . 1 1 49 49 LYS HE3 H 1 3.094 0.007 4 2 . . . A 49 LYS HG3 . 19811 1
555 . 1 1 49 49 LYS HG2 H 1 1.464 0.002 9 2 . . . A 49 LYS HE2 . 19811 1
556 . 1 1 49 49 LYS HG3 H 1 1.464 0.002 9 2 . . . A 49 LYS HE3 . 19811 1
557 . 1 1 49 49 LYS CA C 13 54.677 0.061 4 1 . . . A 49 LYS CA . 19811 1
558 . 1 1 49 49 LYS CB C 13 33.823 0.017 4 1 . . . A 49 LYS CB . 19811 1
559 . 1 1 49 49 LYS CG C 13 24.403 0.001 3 1 . . . A 49 LYS CG . 19811 1
560 . 1 1 49 49 LYS CD C 13 28.772 0.000 1 1 . . . A 49 LYS CD . 19811 1
561 . 1 1 49 49 LYS CE C 13 41.859 0.024 2 1 . . . A 49 LYS CE . 19811 1
562 . 1 1 49 49 LYS N N 15 121.730 0.024 18 1 . . . A 49 LYS N . 19811 1
563 . 1 1 50 50 THR H H 1 8.735 0.001 21 1 . . . A 50 THR H . 19811 1
564 . 1 1 50 50 THR HA H 1 4.254 0.002 12 1 . . . A 50 THR HA . 19811 1
565 . 1 1 50 50 THR HB H 1 3.962 0.005 7 1 . . . A 50 THR HB . 19811 1
566 . 1 1 50 50 THR HG21 H 1 1.134 0.002 11 1 . . . A 50 THR HG21 . 19811 1
567 . 1 1 50 50 THR HG22 H 1 1.134 0.002 11 1 . . . A 50 THR HG22 . 19811 1
568 . 1 1 50 50 THR HG23 H 1 1.134 0.002 11 1 . . . A 50 THR HG23 . 19811 1
569 . 1 1 50 50 THR CA C 13 63.304 0.109 7 1 . . . A 50 THR CA . 19811 1
570 . 1 1 50 50 THR CB C 13 68.732 0.030 5 1 . . . A 50 THR CB . 19811 1
571 . 1 1 50 50 THR CG2 C 13 22.603 0.024 8 1 . . . A 50 THR CG2 . 19811 1
572 . 1 1 50 50 THR N N 15 121.190 0.033 21 1 . . . A 50 THR N . 19811 1
573 . 1 1 51 51 LEU H H 1 8.586 0.006 27 1 . . . A 51 LEU H . 19811 1
574 . 1 1 51 51 LEU HA H 1 3.973 0.003 14 1 . . . A 51 LEU HA . 19811 1
575 . 1 1 51 51 LEU HB2 H 1 1.483 0.004 5 2 . . . A 51 LEU HB2 . 19811 1
576 . 1 1 51 51 LEU HB3 H 1 0.944 0.013 7 2 . . . A 51 LEU HB3 . 19811 1
577 . 1 1 51 51 LEU HD11 H 1 0.394 0.006 18 2 . . . A 51 LEU HD11 . 19811 1
578 . 1 1 51 51 LEU HD12 H 1 0.394 0.006 18 2 . . . A 51 LEU HD12 . 19811 1
579 . 1 1 51 51 LEU HD13 H 1 0.394 0.006 18 2 . . . A 51 LEU HD13 . 19811 1
580 . 1 1 51 51 LEU HD21 H 1 0.394 0.006 18 2 . . . A 51 LEU HD21 . 19811 1
581 . 1 1 51 51 LEU HD22 H 1 0.394 0.006 18 2 . . . A 51 LEU HD22 . 19811 1
582 . 1 1 51 51 LEU HD23 H 1 0.394 0.006 18 2 . . . A 51 LEU HD23 . 19811 1
583 . 1 1 51 51 LEU CA C 13 54.125 0.086 11 1 . . . A 51 LEU CA . 19811 1
584 . 1 1 51 51 LEU CB C 13 41.715 0.039 2 1 . . . A 51 LEU CB . 19811 1
585 . 1 1 51 51 LEU CG C 13 29.645 0.003 12 1 . . . A 51 LEU CG . 19811 1
586 . 1 1 51 51 LEU CD1 C 13 25.336 0.018 6 2 . . . A 51 LEU CD1 . 19811 1
587 . 1 1 51 51 LEU CD2 C 13 25.336 0.018 6 2 . . . A 51 LEU CD2 . 19811 1
588 . 1 1 51 51 LEU N N 15 127.406 0.043 25 1 . . . A 51 LEU N . 19811 1
589 . 1 1 52 52 ASP H H 1 8.974 0.001 25 1 . . . A 52 ASP H . 19811 1
590 . 1 1 52 52 ASP HA H 1 4.840 0.011 13 1 . . . A 52 ASP HA . 19811 1
591 . 1 1 52 52 ASP HB2 H 1 3.116 0.004 8 2 . . . A 52 ASP HB2 . 19811 1
592 . 1 1 52 52 ASP HB3 H 1 2.626 0.008 8 2 . . . A 52 ASP HB3 . 19811 1
593 . 1 1 52 52 ASP CA C 13 51.377 0.035 8 1 . . . A 52 ASP CA . 19811 1
594 . 1 1 52 52 ASP CB C 13 43.019 0.008 3 1 . . . A 52 ASP CB . 19811 1
595 . 1 1 52 52 ASP N N 15 126.711 0.049 25 1 . . . A 52 ASP N . 19811 1
596 . 1 1 53 53 PRO HA H 1 4.095 0.005 20 1 . . . A 53 PRO HA . 19811 1
597 . 1 1 53 53 PRO HB2 H 1 2.157 0.010 11 2 . . . A 53 PRO HB2 . 19811 1
598 . 1 1 53 53 PRO HB3 H 1 1.980 0.002 4 2 . . . A 53 PRO HB3 . 19811 1
599 . 1 1 53 53 PRO HG2 H 1 2.101 0.002 3 2 . . . A 53 PRO HG2 . 19811 1
600 . 1 1 53 53 PRO HG3 H 1 1.880 0.003 4 2 . . . A 53 PRO HG3 . 19811 1
601 . 1 1 53 53 PRO HD2 H 1 3.782 0.005 6 2 . . . A 53 PRO HD2 . 19811 1
602 . 1 1 53 53 PRO HD3 H 1 3.782 0.005 6 2 . . . A 53 PRO HD3 . 19811 1
603 . 1 1 53 53 PRO CA C 13 64.240 0.057 14 1 . . . A 53 PRO CA . 19811 1
604 . 1 1 53 53 PRO CB C 13 33.077 0.025 4 1 . . . A 53 PRO CB . 19811 1
605 . 1 1 53 53 PRO CG C 13 27.460 0.093 5 1 . . . A 53 PRO CG . 19811 1
606 . 1 1 53 53 PRO CD C 13 51.479 0.097 2 1 . . . A 53 PRO CD . 19811 1
607 . 1 1 54 54 SER H H 1 8.643 0.001 27 1 . . . A 54 SER H . 19811 1
608 . 1 1 54 54 SER HA H 1 4.330 0.010 6 1 . . . A 54 SER HA . 19811 1
609 . 1 1 54 54 SER HB2 H 1 3.886 0.004 5 2 . . . A 54 SER HB2 . 19811 1
610 . 1 1 54 54 SER HB3 H 1 3.886 0.004 5 2 . . . A 54 SER HB3 . 19811 1
611 . 1 1 54 54 SER CA C 13 59.971 0.030 3 1 . . . A 54 SER CA . 19811 1
612 . 1 1 54 54 SER CB C 13 63.881 0.072 3 1 . . . A 54 SER CB . 19811 1
613 . 1 1 54 54 SER N N 15 110.024 0.019 26 1 . . . A 54 SER N . 19811 1
614 . 1 1 55 55 LEU H H 1 7.722 0.001 25 1 . . . A 55 LEU H . 19811 1
615 . 1 1 55 55 LEU HA H 1 4.645 0.006 15 1 . . . A 55 LEU HA . 19811 1
616 . 1 1 55 55 LEU HB2 H 1 1.920 0.004 10 2 . . . A 55 LEU HB2 . 19811 1
617 . 1 1 55 55 LEU HB3 H 1 1.497 0.004 6 2 . . . A 55 LEU HB3 . 19811 1
618 . 1 1 55 55 LEU HG H 1 1.569 0.010 8 1 . . . A 55 LEU HG . 19811 1
619 . 1 1 55 55 LEU HD11 H 1 0.716 0.002 12 2 . . . A 55 LEU HD11 . 19811 1
620 . 1 1 55 55 LEU HD12 H 1 0.716 0.002 12 2 . . . A 55 LEU HD12 . 19811 1
621 . 1 1 55 55 LEU HD13 H 1 0.716 0.002 12 2 . . . A 55 LEU HD13 . 19811 1
622 . 1 1 55 55 LEU HD21 H 1 0.597 0.006 10 2 . . . A 55 LEU HD21 . 19811 1
623 . 1 1 55 55 LEU HD22 H 1 0.597 0.006 10 2 . . . A 55 LEU HD22 . 19811 1
624 . 1 1 55 55 LEU HD23 H 1 0.597 0.006 10 2 . . . A 55 LEU HD23 . 19811 1
625 . 1 1 55 55 LEU CA C 13 50.579 8.010 5 1 . . . A 55 LEU CA . 19811 1
626 . 1 1 55 55 LEU CB C 13 43.928 0.035 7 1 . . . A 55 LEU CB . 19811 1
627 . 1 1 55 55 LEU CG C 13 28.894 0.128 5 1 . . . A 55 LEU CG . 19811 1
628 . 1 1 55 55 LEU CD1 C 13 24.026 0.032 7 2 . . . A 55 LEU CD1 . 19811 1
629 . 1 1 55 55 LEU CD2 C 13 23.192 0.005 4 2 . . . A 55 LEU CD2 . 19811 1
630 . 1 1 55 55 LEU N N 15 123.514 0.050 22 1 . . . A 55 LEU N . 19811 1
631 . 1 1 56 56 THR H H 1 8.335 0.004 33 1 . . . A 56 THR H . 19811 1
632 . 1 1 56 56 THR HA H 1 4.921 0.011 13 1 . . . A 56 THR HA . 19811 1
633 . 1 1 56 56 THR HB H 1 4.690 0.005 11 1 . . . A 56 THR HB . 19811 1
634 . 1 1 56 56 THR HG21 H 1 1.246 0.003 8 1 . . . A 56 THR HG21 . 19811 1
635 . 1 1 56 56 THR HG22 H 1 1.246 0.003 8 1 . . . A 56 THR HG22 . 19811 1
636 . 1 1 56 56 THR HG23 H 1 1.246 0.003 8 1 . . . A 56 THR HG23 . 19811 1
637 . 1 1 56 56 THR CA C 13 60.266 0.043 6 1 . . . A 56 THR CA . 19811 1
638 . 1 1 56 56 THR CB C 13 71.553 0.031 6 1 . . . A 56 THR CB . 19811 1
639 . 1 1 56 56 THR CG2 C 13 22.209 0.026 3 1 . . . A 56 THR CG2 . 19811 1
640 . 1 1 56 56 THR N N 15 107.845 0.023 30 1 . . . A 56 THR N . 19811 1
641 . 1 1 57 57 LEU H H 1 8.117 0.002 26 1 . . . A 57 LEU H . 19811 1
642 . 1 1 57 57 LEU HA H 1 3.992 0.005 14 1 . . . A 57 LEU HA . 19811 1
643 . 1 1 57 57 LEU HB2 H 1 1.944 0.010 6 2 . . . A 57 LEU HB2 . 19811 1
644 . 1 1 57 57 LEU HB3 H 1 1.487 0.002 5 2 . . . A 57 LEU HB3 . 19811 1
645 . 1 1 57 57 LEU HD11 H 1 0.865 0.006 12 2 . . . A 57 LEU HD11 . 19811 1
646 . 1 1 57 57 LEU HD12 H 1 0.865 0.006 12 2 . . . A 57 LEU HD12 . 19811 1
647 . 1 1 57 57 LEU HD13 H 1 0.865 0.006 12 2 . . . A 57 LEU HD13 . 19811 1
648 . 1 1 57 57 LEU HD21 H 1 0.681 0.004 14 2 . . . A 57 LEU HD21 . 19811 1
649 . 1 1 57 57 LEU HD22 H 1 0.681 0.004 14 2 . . . A 57 LEU HD22 . 19811 1
650 . 1 1 57 57 LEU HD23 H 1 0.681 0.004 14 2 . . . A 57 LEU HD23 . 19811 1
651 . 1 1 57 57 LEU CA C 13 58.658 0.051 8 1 . . . A 57 LEU CA . 19811 1
652 . 1 1 57 57 LEU CB C 13 39.774 0.035 6 1 . . . A 57 LEU CB . 19811 1
653 . 1 1 57 57 LEU CG C 13 25.759 0.000 1 1 . . . A 57 LEU CG . 19811 1
654 . 1 1 57 57 LEU CD1 C 13 25.955 0.009 4 2 . . . A 57 LEU CD1 . 19811 1
655 . 1 1 57 57 LEU CD2 C 13 23.000 0.015 5 2 . . . A 57 LEU CD2 . 19811 1
656 . 1 1 57 57 LEU N N 15 118.354 0.031 24 1 . . . A 57 LEU N . 19811 1
657 . 1 1 58 58 ALA H H 1 8.730 0.002 28 1 . . . A 58 ALA H . 19811 1
658 . 1 1 58 58 ALA HA H 1 4.075 0.006 5 1 . . . A 58 ALA HA . 19811 1
659 . 1 1 58 58 ALA HB1 H 1 1.393 0.005 11 1 . . . A 58 ALA HB1 . 19811 1
660 . 1 1 58 58 ALA HB2 H 1 1.393 0.005 11 1 . . . A 58 ALA HB2 . 19811 1
661 . 1 1 58 58 ALA HB3 H 1 1.393 0.005 11 1 . . . A 58 ALA HB3 . 19811 1
662 . 1 1 58 58 ALA CA C 13 55.047 0.073 3 1 . . . A 58 ALA CA . 19811 1
663 . 1 1 58 58 ALA CB C 13 18.267 0.075 8 1 . . . A 58 ALA CB . 19811 1
664 . 1 1 58 58 ALA N N 15 120.467 0.031 25 1 . . . A 58 ALA N . 19811 1
665 . 1 1 59 59 GLU H H 1 7.890 0.002 24 1 . . . A 59 GLU H . 19811 1
666 . 1 1 59 59 GLU HA H 1 3.935 0.004 13 1 . . . A 59 GLU HA . 19811 1
667 . 1 1 59 59 GLU HB2 H 1 2.151 0.004 5 2 . . . A 59 GLU HB2 . 19811 1
668 . 1 1 59 59 GLU HB3 H 1 1.772 0.003 11 2 . . . A 59 GLU HB3 . 19811 1
669 . 1 1 59 59 GLU HG2 H 1 2.197 0.009 5 2 . . . A 59 GLU HG2 . 19811 1
670 . 1 1 59 59 GLU HG3 H 1 2.073 0.011 4 2 . . . A 59 GLU HG3 . 19811 1
671 . 1 1 59 59 GLU CA C 13 58.914 0.043 8 1 . . . A 59 GLU CA . 19811 1
672 . 1 1 59 59 GLU CB C 13 29.623 0.030 3 1 . . . A 59 GLU CB . 19811 1
673 . 1 1 59 59 GLU CG C 13 37.625 0.080 5 1 . . . A 59 GLU CG . 19811 1
674 . 1 1 59 59 GLU N N 15 119.907 0.041 21 1 . . . A 59 GLU N . 19811 1
675 . 1 1 60 60 TYR H H 1 7.448 0.004 28 1 . . . A 60 TYR H . 19811 1
676 . 1 1 60 60 TYR HA H 1 4.554 0.002 13 1 . . . A 60 TYR HA . 19811 1
677 . 1 1 60 60 TYR HB2 H 1 3.355 0.002 14 2 . . . A 60 TYR HB2 . 19811 1
678 . 1 1 60 60 TYR HB3 H 1 2.631 0.003 13 2 . . . A 60 TYR HB3 . 19811 1
679 . 1 1 60 60 TYR HD1 H 1 7.160 0.005 9 3 . . . A 60 TYR HD1 . 19811 1
680 . 1 1 60 60 TYR HD2 H 1 7.160 0.005 9 3 . . . A 60 TYR HD2 . 19811 1
681 . 1 1 60 60 TYR HE1 H 1 6.865 0.003 16 3 . . . A 60 TYR HE1 . 19811 1
682 . 1 1 60 60 TYR HE2 H 1 6.865 0.003 16 3 . . . A 60 TYR HE2 . 19811 1
683 . 1 1 60 60 TYR CA C 13 59.463 0.039 8 1 . . . A 60 TYR CA . 19811 1
684 . 1 1 60 60 TYR CB C 13 40.288 0.050 4 1 . . . A 60 TYR CB . 19811 1
685 . 1 1 60 60 TYR N N 15 116.582 0.019 24 1 . . . A 60 TYR N . 19811 1
686 . 1 1 61 61 GLY H H 1 8.067 0.001 25 1 . . . A 61 GLY H . 19811 1
687 . 1 1 61 61 GLY HA2 H 1 4.001 0.010 4 2 . . . A 61 GLY HA2 . 19811 1
688 . 1 1 61 61 GLY HA3 H 1 3.813 0.001 4 2 . . . A 61 GLY HA3 . 19811 1
689 . 1 1 61 61 GLY CA C 13 46.380 0.016 2 1 . . . A 61 GLY CA . 19811 1
690 . 1 1 61 61 GLY N N 15 109.141 0.018 23 1 . . . A 61 GLY N . 19811 1
691 . 1 1 62 62 ILE H H 1 7.416 0.001 20 1 . . . A 62 ILE H . 19811 1
692 . 1 1 62 62 ILE HA H 1 3.614 0.005 16 1 . . . A 62 ILE HA . 19811 1
693 . 1 1 62 62 ILE HB H 1 1.551 0.006 16 1 . . . A 62 ILE HB . 19811 1
694 . 1 1 62 62 ILE HG12 H 1 1.148 0.002 9 2 . . . A 62 ILE HG12 . 19811 1
695 . 1 1 62 62 ILE HG13 H 1 0.010 0.007 10 2 . . . A 62 ILE HG13 . 19811 1
696 . 1 1 62 62 ILE HG21 H 1 0.543 0.003 17 1 . . . A 62 ILE HG21 . 19811 1
697 . 1 1 62 62 ILE HG22 H 1 0.543 0.003 17 1 . . . A 62 ILE HG22 . 19811 1
698 . 1 1 62 62 ILE HG23 H 1 0.543 0.003 17 1 . . . A 62 ILE HG23 . 19811 1
699 . 1 1 62 62 ILE HD11 H 1 0.366 0.006 22 1 . . . A 62 ILE HD11 . 19811 1
700 . 1 1 62 62 ILE HD12 H 1 0.366 0.006 22 1 . . . A 62 ILE HD12 . 19811 1
701 . 1 1 62 62 ILE HD13 H 1 0.366 0.006 22 1 . . . A 62 ILE HD13 . 19811 1
702 . 1 1 62 62 ILE CA C 13 61.392 0.045 9 1 . . . A 62 ILE CA . 19811 1
703 . 1 1 62 62 ILE CB C 13 36.445 0.037 8 1 . . . A 62 ILE CB . 19811 1
704 . 1 1 62 62 ILE CG1 C 13 27.430 0.034 12 1 . . . A 62 ILE CG1 . 19811 1
705 . 1 1 62 62 ILE CG2 C 13 17.594 0.008 7 1 . . . A 62 ILE CG2 . 19811 1
706 . 1 1 62 62 ILE CD1 C 13 13.647 0.053 9 1 . . . A 62 ILE CD1 . 19811 1
707 . 1 1 62 62 ILE N N 15 120.506 0.015 20 1 . . . A 62 ILE N . 19811 1
708 . 1 1 63 63 THR H H 1 7.408 0.001 23 1 . . . A 63 THR H . 19811 1
709 . 1 1 63 63 THR HA H 1 4.528 0.004 10 1 . . . A 63 THR HA . 19811 1
710 . 1 1 63 63 THR HB H 1 4.367 0.006 9 1 . . . A 63 THR HB . 19811 1
711 . 1 1 63 63 THR HG21 H 1 1.127 0.003 8 1 . . . A 63 THR HG21 . 19811 1
712 . 1 1 63 63 THR HG22 H 1 1.127 0.003 8 1 . . . A 63 THR HG22 . 19811 1
713 . 1 1 63 63 THR HG23 H 1 1.127 0.003 8 1 . . . A 63 THR HG23 . 19811 1
714 . 1 1 63 63 THR CA C 13 58.942 0.067 5 1 . . . A 63 THR CA . 19811 1
715 . 1 1 63 63 THR CB C 13 68.304 0.032 5 1 . . . A 63 THR CB . 19811 1
716 . 1 1 63 63 THR CG2 C 13 21.892 0.004 3 1 . . . A 63 THR CG2 . 19811 1
717 . 1 1 63 63 THR N N 15 117.984 0.035 23 1 . . . A 63 THR N . 19811 1
718 . 1 1 64 64 PRO HA H 1 4.237 0.009 18 1 . . . A 64 PRO HA . 19811 1
719 . 1 1 64 64 PRO HB2 H 1 2.263 0.004 13 2 . . . A 64 PRO HB2 . 19811 1
720 . 1 1 64 64 PRO HB3 H 1 1.868 0.006 9 2 . . . A 64 PRO HB3 . 19811 1
721 . 1 1 64 64 PRO HG2 H 1 2.106 0.002 6 2 . . . A 64 PRO HG2 . 19811 1
722 . 1 1 64 64 PRO HG3 H 1 1.736 0.007 8 2 . . . A 64 PRO HG3 . 19811 1
723 . 1 1 64 64 PRO HD2 H 1 3.750 0.005 5 2 . . . A 64 PRO HD2 . 19811 1
724 . 1 1 64 64 PRO HD3 H 1 3.578 0.006 11 2 . . . A 64 PRO HD3 . 19811 1
725 . 1 1 64 64 PRO CA C 13 64.568 0.026 11 1 . . . A 64 PRO CA . 19811 1
726 . 1 1 64 64 PRO CB C 13 31.861 0.017 7 1 . . . A 64 PRO CB . 19811 1
727 . 1 1 64 64 PRO CG C 13 28.230 0.044 4 1 . . . A 64 PRO CG . 19811 1
728 . 1 1 64 64 PRO CD C 13 50.774 0.046 8 1 . . . A 64 PRO CD . 19811 1
729 . 1 1 65 65 GLY H H 1 9.286 0.003 32 1 . . . A 65 GLY H . 19811 1
730 . 1 1 65 65 GLY HA2 H 1 4.256 0.009 4 2 . . . A 65 GLY HA2 . 19811 1
731 . 1 1 65 65 GLY HA3 H 1 3.682 0.006 3 2 . . . A 65 GLY HA3 . 19811 1
732 . 1 1 65 65 GLY CA C 13 44.719 0.084 4 1 . . . A 65 GLY CA . 19811 1
733 . 1 1 65 65 GLY N N 15 112.539 0.035 29 1 . . . A 65 GLY N . 19811 1
734 . 1 1 66 66 SER H H 1 7.822 0.002 16 1 . . . A 66 SER H . 19811 1
735 . 1 1 66 66 SER HA H 1 4.535 0.004 8 1 . . . A 66 SER HA . 19811 1
736 . 1 1 66 66 SER HB2 H 1 3.819 0.002 6 2 . . . A 66 SER HB2 . 19811 1
737 . 1 1 66 66 SER HB3 H 1 3.744 0.005 6 2 . . . A 66 SER HB3 . 19811 1
738 . 1 1 66 66 SER CA C 13 60.415 0.108 4 1 . . . A 66 SER CA . 19811 1
739 . 1 1 66 66 SER CB C 13 64.604 0.018 8 1 . . . A 66 SER CB . 19811 1
740 . 1 1 66 66 SER N N 15 116.523 0.057 14 1 . . . A 66 SER N . 19811 1
741 . 1 1 67 67 THR H H 1 8.715 0.003 18 1 . . . A 67 THR H . 19811 1
742 . 1 1 67 67 THR HA H 1 5.342 0.003 15 1 . . . A 67 THR HA . 19811 1
743 . 1 1 67 67 THR HB H 1 3.922 0.006 7 1 . . . A 67 THR HB . 19811 1
744 . 1 1 67 67 THR HG21 H 1 1.060 0.005 9 1 . . . A 67 THR HG21 . 19811 1
745 . 1 1 67 67 THR HG22 H 1 1.060 0.005 9 1 . . . A 67 THR HG22 . 19811 1
746 . 1 1 67 67 THR HG23 H 1 1.060 0.005 9 1 . . . A 67 THR HG23 . 19811 1
747 . 1 1 67 67 THR CA C 13 62.059 0.055 3 1 . . . A 67 THR CA . 19811 1
748 . 1 1 67 67 THR CB C 13 70.858 0.022 4 1 . . . A 67 THR CB . 19811 1
749 . 1 1 67 67 THR CG2 C 13 21.975 0.024 9 1 . . . A 67 THR CG2 . 19811 1
750 . 1 1 67 67 THR N N 15 118.238 0.026 17 1 . . . A 67 THR N . 19811 1
751 . 1 1 68 68 ILE H H 1 9.097 0.002 29 1 . . . A 68 ILE H . 19811 1
752 . 1 1 68 68 ILE CA C 13 59.434 0.026 13 1 . . . A 68 ILE HA . 19811 1
753 . 1 1 68 68 ILE CB C 13 40.783 0.037 8 1 . . . A 68 ILE HB . 19811 1
754 . 1 1 68 68 ILE CD1 C 13 14.455 0.087 6 1 . . . A 68 ILE HG12 . 19811 1
755 . 1 1 68 68 ILE CG1 C 13 27.629 0.074 3 1 . . . A 68 ILE HG13 . 19811 1
756 . 1 1 68 68 ILE CG2 C 13 18.832 0.010 8 1 . . . A 68 ILE HG21 . 19811 1
757 . 1 1 68 68 ILE HA H 1 4.761 0.004 21 1 . . . A 68 ILE HG22 . 19811 1
758 . 1 1 68 68 ILE HB H 1 1.878 0.004 17 1 . . . A 68 ILE HG23 . 19811 1
759 . 1 1 68 68 ILE HG12 H 1 1.337 0.001 6 2 . . . A 68 ILE HD11 . 19811 1
760 . 1 1 68 68 ILE HG13 H 1 0.962 0.004 4 2 . . . A 68 ILE HD12 . 19811 1
761 . 1 1 68 68 ILE HG21 H 1 0.804 0.003 12 1 . . . A 68 ILE HD13 . 19811 1
762 . 1 1 68 68 ILE HG22 H 1 0.804 0.003 12 1 . . . A 68 ILE CA . 19811 1
763 . 1 1 68 68 ILE HG23 H 1 0.804 0.003 12 1 . . . A 68 ILE CB . 19811 1
764 . 1 1 68 68 ILE HD11 H 1 0.605 0.004 11 1 . . . A 68 ILE CG1 . 19811 1
765 . 1 1 68 68 ILE HD12 H 1 0.605 0.004 11 1 . . . A 68 ILE CG2 . 19811 1
766 . 1 1 68 68 ILE HD13 H 1 0.605 0.004 11 1 . . . A 68 ILE CD1 . 19811 1
767 . 1 1 68 68 ILE N N 15 126.891 0.036 26 1 . . . A 68 ILE N . 19811 1
768 . 1 1 69 69 THR H H 1 8.903 0.002 30 1 . . . A 69 THR H . 19811 1
769 . 1 1 69 69 THR HA H 1 4.566 0.002 11 1 . . . A 69 THR HA . 19811 1
770 . 1 1 69 69 THR HB H 1 4.102 0.004 9 1 . . . A 69 THR HB . 19811 1
771 . 1 1 69 69 THR HG21 H 1 1.077 0.005 8 1 . . . A 69 THR HG21 . 19811 1
772 . 1 1 69 69 THR HG22 H 1 1.077 0.005 8 1 . . . A 69 THR HG22 . 19811 1
773 . 1 1 69 69 THR HG23 H 1 1.077 0.005 8 1 . . . A 69 THR HG23 . 19811 1
774 . 1 1 69 69 THR CA C 13 63.014 0.105 7 1 . . . A 69 THR CA . 19811 1
775 . 1 1 69 69 THR CB C 13 70.043 0.085 5 1 . . . A 69 THR CB . 19811 1
776 . 1 1 69 69 THR CG2 C 13 21.918 0.007 3 1 . . . A 69 THR CG2 . 19811 1
777 . 1 1 69 69 THR N N 15 120.333 0.038 29 1 . . . A 69 THR N . 19811 1
778 . 1 1 70 70 LEU H H 1 8.191 0.002 28 1 . . . A 70 LEU H . 19811 1
779 . 1 1 70 70 LEU CA C 13 54.088 0.032 11 1 . . . A 70 LEU HA . 19811 1
780 . 1 1 70 70 LEU CB C 13 44.772 0.037 6 1 . . . A 70 LEU HB2 . 19811 1
781 . 1 1 70 70 LEU CD1 C 13 27.740 0.013 7 2 . . . A 70 LEU HB3 . 19811 1
782 . 1 1 70 70 LEU CD2 C 13 26.823 0.017 8 2 . . . A 70 LEU HG . 19811 1
783 . 1 1 70 70 LEU CG C 13 27.283 0.000 1 1 . . . A 70 LEU HD11 . 19811 1
784 . 1 1 70 70 LEU HA H 1 4.984 0.003 21 1 . . . A 70 LEU HD12 . 19811 1
785 . 1 1 70 70 LEU HB2 H 1 1.864 0.004 12 2 . . . A 70 LEU HD13 . 19811 1
786 . 1 1 70 70 LEU HB3 H 1 1.101 0.006 9 2 . . . A 70 LEU HD21 . 19811 1
787 . 1 1 70 70 LEU HD11 H 1 0.854 0.003 13 2 . . . A 70 LEU HD22 . 19811 1
788 . 1 1 70 70 LEU HD12 H 1 0.854 0.003 13 2 . . . A 70 LEU HD23 . 19811 1
789 . 1 1 70 70 LEU HD13 H 1 0.854 0.003 13 2 . . . A 70 LEU CA . 19811 1
790 . 1 1 70 70 LEU HD21 H 1 0.656 0.001 10 2 . . . A 70 LEU CB . 19811 1
791 . 1 1 70 70 LEU HD22 H 1 0.656 0.001 10 2 . . . A 70 LEU CG . 19811 1
792 . 1 1 70 70 LEU HD23 H 1 0.656 0.001 10 2 . . . A 70 LEU CD1 . 19811 1
793 . 1 1 70 70 LEU HG H 1 1.346 0.002 7 1 . . . A 70 LEU CD2 . 19811 1
794 . 1 1 70 70 LEU N N 15 126.490 0.035 24 1 . . . A 70 LEU N . 19811 1
795 . 1 1 71 71 GLU H H 1 9.089 0.001 26 1 . . . A 71 GLU H . 19811 1
796 . 1 1 71 71 GLU CA C 13 54.828 0.085 4 1 . . . A 71 GLU HA . 19811 1
797 . 1 1 71 71 GLU CB C 13 33.391 0.023 4 1 . . . A 71 GLU HB2 . 19811 1
798 . 1 1 71 71 GLU CG C 13 36.270 0.000 1 1 . . . A 71 GLU HB3 . 19811 1
799 . 1 1 71 71 GLU HA H 1 4.505 0.005 9 1 . . . A 71 GLU HG2 . 19811 1
800 . 1 1 71 71 GLU HB2 H 1 1.845 0.002 3 2 . . . A 71 GLU HG3 . 19811 1
801 . 1 1 71 71 GLU HB3 H 1 1.728 0.006 2 2 . . . A 71 GLU CA . 19811 1
802 . 1 1 71 71 GLU HG2 H 1 2.068 0.006 2 2 . . . A 71 GLU CB . 19811 1
803 . 1 1 71 71 GLU HG3 H 1 2.068 0.006 2 2 . . . A 71 GLU CG . 19811 1
804 . 1 1 71 71 GLU N N 15 125.912 0.038 24 1 . . . A 71 GLU N . 19811 1
805 . 1 1 72 72 ILE H H 1 8.526 0.004 21 1 . . . A 72 ILE H . 19811 1
806 . 1 1 72 72 ILE HA H 1 4.570 0.004 17 1 . . . A 72 ILE HA . 19811 1
807 . 1 1 72 72 ILE HB H 1 1.700 0.005 13 1 . . . A 72 ILE HB . 19811 1
808 . 1 1 72 72 ILE HG12 H 1 1.395 0.003 9 2 . . . A 72 ILE HG12 . 19811 1
809 . 1 1 72 72 ILE HG13 H 1 1.395 0.003 9 2 . . . A 72 ILE HG13 . 19811 1
810 . 1 1 72 72 ILE HG21 H 1 0.877 0.003 9 1 . . . A 72 ILE HG21 . 19811 1
811 . 1 1 72 72 ILE HG22 H 1 0.877 0.003 9 1 . . . A 72 ILE HG22 . 19811 1
812 . 1 1 72 72 ILE HG23 H 1 0.877 0.003 9 1 . . . A 72 ILE HG23 . 19811 1
813 . 1 1 72 72 ILE HD11 H 1 0.758 0.001 9 1 . . . A 72 ILE HD11 . 19811 1
814 . 1 1 72 72 ILE HD12 H 1 0.758 0.001 9 1 . . . A 72 ILE HD12 . 19811 1
815 . 1 1 72 72 ILE HD13 H 1 0.758 0.001 9 1 . . . A 72 ILE HD13 . 19811 1
816 . 1 1 72 72 ILE CA C 13 59.629 0.040 9 1 . . . A 72 ILE CA . 19811 1
817 . 1 1 72 72 ILE CB C 13 38.376 0.020 6 1 . . . A 72 ILE CB . 19811 1
818 . 1 1 72 72 ILE CG1 C 13 27.601 0.003 2 1 . . . A 72 ILE CG1 . 19811 1
819 . 1 1 72 72 ILE CG2 C 13 17.633 0.034 8 1 . . . A 72 ILE CG2 . 19811 1
820 . 1 1 72 72 ILE CD1 C 13 12.757 0.036 5 1 . . . A 72 ILE CD1 . 19811 1
821 . 1 1 72 72 ILE N N 15 123.229 0.046 19 1 . . . A 72 ILE N . 19811 1
822 . 1 1 73 73 LYS H H 1 8.837 0.002 26 1 . . . A 73 LYS H . 19811 1
823 . 1 1 73 73 LYS HA H 1 4.178 0.005 9 1 . . . A 73 LYS HA . 19811 1
824 . 1 1 73 73 LYS HB2 H 1 1.723 0.002 4 2 . . . A 73 LYS HB2 . 19811 1
825 . 1 1 73 73 LYS HB3 H 1 1.592 0.008 6 2 . . . A 73 LYS HB3 . 19811 1
826 . 1 1 73 73 LYS HG2 H 1 1.278 0.003 5 2 . . . A 73 LYS HG2 . 19811 1
827 . 1 1 73 73 LYS HG3 H 1 1.278 0.003 5 2 . . . A 73 LYS HG3 . 19811 1
828 . 1 1 73 73 LYS HE2 H 1 2.866 0.000 1 2 . . . A 73 LYS HE2 . 19811 1
829 . 1 1 73 73 LYS HE3 H 1 2.866 0.000 1 2 . . . A 73 LYS HE3 . 19811 1
830 . 1 1 73 73 LYS CA C 13 56.564 0.060 6 1 . . . A 73 LYS CA . 19811 1
831 . 1 1 73 73 LYS CB C 13 33.320 0.021 2 1 . . . A 73 LYS CB . 19811 1
832 . 1 1 73 73 LYS CG C 13 24.996 0.101 3 1 . . . A 73 LYS CG . 19811 1
833 . 1 1 73 73 LYS CD C 13 28.970 0.000 1 1 . . . A 73 LYS CD . 19811 1
834 . 1 1 73 73 LYS CE C 13 42.023 0.000 1 1 . . . A 73 LYS CE . 19811 1
835 . 1 1 73 73 LYS N N 15 129.392 0.046 25 1 . . . A 73 LYS N . 19811 1
836 . 1 1 74 74 LYS H H 1 8.266 0.001 22 1 . . . A 74 LYS H . 19811 1
837 . 1 1 74 74 LYS HA H 1 4.255 0.004 5 1 . . . A 74 LYS HA . 19811 1
838 . 1 1 74 74 LYS HB2 H 1 1.667 0.015 3 2 . . . A 74 LYS HB2 . 19811 1
839 . 1 1 74 74 LYS HB3 H 1 1.667 0.015 3 2 . . . A 74 LYS HB3 . 19811 1
840 . 1 1 74 74 LYS HG2 H 1 1.378 0.009 3 2 . . . A 74 LYS HG2 . 19811 1
841 . 1 1 74 74 LYS HG3 H 1 1.378 0.009 3 2 . . . A 74 LYS HG3 . 19811 1
842 . 1 1 74 74 LYS HE2 H 1 2.943 0.000 1 2 . . . A 74 LYS HE2 . 19811 1
843 . 1 1 74 74 LYS HE3 H 1 2.943 0.000 1 2 . . . A 74 LYS HE3 . 19811 1
844 . 1 1 74 74 LYS CA C 13 56.000 0.022 4 1 . . . A 74 LYS CA . 19811 1
845 . 1 1 74 74 LYS CB C 13 33.223 0.010 2 1 . . . A 74 LYS CB . 19811 1
846 . 1 1 74 74 LYS CG C 13 24.523 0.000 1 1 . . . A 74 LYS CG . 19811 1
847 . 1 1 74 74 LYS CD C 13 28.670 0.000 1 1 . . . A 74 LYS CD . 19811 1
848 . 1 1 74 74 LYS CE C 13 42.091 0.000 1 1 . . . A 74 LYS CE . 19811 1
849 . 1 1 74 74 LYS N N 15 123.476 0.030 20 1 . . . A 74 LYS N . 19811 1
850 . 1 1 75 75 LYS H H 1 8.572 0.001 18 1 . . . A 75 LYS H . 19811 1
851 . 1 1 75 75 LYS HA H 1 4.245 0.004 9 1 . . . A 75 LYS HA . 19811 1
852 . 1 1 75 75 LYS HB2 H 1 1.750 0.010 6 2 . . . A 75 LYS HB2 . 19811 1
853 . 1 1 75 75 LYS HB3 H 1 1.750 0.010 6 2 . . . A 75 LYS HB3 . 19811 1
854 . 1 1 75 75 LYS HG2 H 1 1.404 0.005 5 2 . . . A 75 LYS HG2 . 19811 1
855 . 1 1 75 75 LYS HG3 H 1 1.404 0.005 5 2 . . . A 75 LYS HG3 . 19811 1
856 . 1 1 75 75 LYS HD2 H 1 1.638 0.017 3 2 . . . A 75 LYS HD2 . 19811 1
857 . 1 1 75 75 LYS HD3 H 1 1.638 0.017 3 2 . . . A 75 LYS HD3 . 19811 1
858 . 1 1 75 75 LYS HE2 H 1 2.949 0.000 1 2 . . . A 75 LYS HE2 . 19811 1
859 . 1 1 75 75 LYS HE3 H 1 2.949 0.000 1 2 . . . A 75 LYS HE3 . 19811 1
860 . 1 1 75 75 LYS CA C 13 56.677 0.074 5 1 . . . A 75 LYS CA . 19811 1
861 . 1 1 75 75 LYS CB C 13 32.876 0.097 3 1 . . . A 75 LYS CB . 19811 1
862 . 1 1 75 75 LYS CG C 13 24.538 0.000 1 1 . . . A 75 LYS CG . 19811 1
863 . 1 1 75 75 LYS CD C 13 28.814 0.073 3 1 . . . A 75 LYS CD . 19811 1
864 . 1 1 75 75 LYS CE C 13 42.164 0.000 1 1 . . . A 75 LYS CE . 19811 1
865 . 1 1 75 75 LYS N N 15 124.450 0.028 18 1 . . . A 75 LYS N . 19811 1
866 . 1 1 76 76 GLY H H 1 8.549 0.001 17 1 . . . A 76 GLY H . 19811 1
867 . 1 1 76 76 GLY HA2 H 1 3.925 0.001 4 2 . . . A 76 GLY HA2 . 19811 1
868 . 1 1 76 76 GLY HA3 H 1 3.925 0.001 4 2 . . . A 76 GLY HA3 . 19811 1
869 . 1 1 76 76 GLY CA C 13 45.330 0.000 1 1 . . . A 76 GLY CA . 19811 1
870 . 1 1 76 76 GLY N N 15 110.666 0.043 17 1 . . . A 76 GLY N . 19811 1
871 . 1 1 77 77 GLY H H 1 8.332 0.001 5 1 . . . A 77 GLY H . 19811 1
872 . 1 1 77 77 GLY HA2 H 1 3.927 0.001 4 2 . . . A 77 GLY HA2 . 19811 1
873 . 1 1 77 77 GLY HA3 H 1 3.927 0.001 4 2 . . . A 77 GLY HA3 . 19811 1
874 . 1 1 77 77 GLY CA C 13 45.300 0.011 2 1 . . . A 77 GLY CA . 19811 1
875 . 1 1 77 77 GLY N N 15 108.740 0.028 5 1 . . . A 77 GLY N . 19811 1
876 . 1 1 78 78 LEU H H 1 8.165 0.001 10 1 . . . A 78 LEU H . 19811 1
877 . 1 1 78 78 LEU HA H 1 4.263 0.003 13 1 . . . A 78 LEU HA . 19811 1
878 . 1 1 78 78 LEU HB2 H 1 1.538 0.001 2 2 . . . A 78 LEU HB2 . 19811 1
879 . 1 1 78 78 LEU HB3 H 1 1.481 0.002 2 2 . . . A 78 LEU HB3 . 19811 1
880 . 1 1 78 78 LEU HD11 H 1 0.849 0.000 1 2 . . . A 78 LEU HD11 . 19811 1
881 . 1 1 78 78 LEU HD12 H 1 0.849 0.000 1 2 . . . A 78 LEU HD12 . 19811 1
882 . 1 1 78 78 LEU HD13 H 1 0.849 0.000 1 2 . . . A 78 LEU HD13 . 19811 1
883 . 1 1 78 78 LEU HD21 H 1 0.791 0.002 4 2 . . . A 78 LEU HD21 . 19811 1
884 . 1 1 78 78 LEU HD22 H 1 0.791 0.002 4 2 . . . A 78 LEU HD22 . 19811 1
885 . 1 1 78 78 LEU HD23 H 1 0.791 0.002 4 2 . . . A 78 LEU HD23 . 19811 1
886 . 1 1 78 78 LEU CA C 13 55.127 0.042 7 1 . . . A 78 LEU CA . 19811 1
887 . 1 1 78 78 LEU CB C 13 42.290 0.024 4 1 . . . A 78 LEU CB . 19811 1
888 . 1 1 78 78 LEU CG C 13 26.726 0.000 1 1 . . . A 78 LEU CG . 19811 1
889 . 1 1 78 78 LEU CD1 C 13 24.565 0.000 1 2 . . . A 78 LEU CD1 . 19811 1
890 . 1 1 78 78 LEU CD2 C 13 23.635 0.073 3 2 . . . A 78 LEU CD2 . 19811 1
891 . 1 1 78 78 LEU N N 15 121.371 0.012 10 1 . . . A 78 LEU N . 19811 1
892 . 1 1 79 79 GLU H H 1 8.436 0.002 18 1 . . . A 79 GLU H . 19811 1
893 . 1 1 79 79 GLU HA H 1 4.135 0.006 7 1 . . . A 79 GLU HA . 19811 1
894 . 1 1 79 79 GLU HB2 H 1 1.837 0.006 4 2 . . . A 79 GLU HB2 . 19811 1
895 . 1 1 79 79 GLU HB3 H 1 1.837 0.006 4 2 . . . A 79 GLU HB3 . 19811 1
896 . 1 1 79 79 GLU HG2 H 1 2.155 0.001 2 2 . . . A 79 GLU HG2 . 19811 1
897 . 1 1 79 79 GLU HG3 H 1 2.083 0.002 2 2 . . . A 79 GLU HG3 . 19811 1
898 . 1 1 79 79 GLU CA C 13 56.628 0.084 5 1 . . . A 79 GLU CA . 19811 1
899 . 1 1 79 79 GLU CB C 13 32.156 2.725 3 1 . . . A 79 GLU CB . 19811 1
900 . 1 1 79 79 GLU CG C 13 36.141 0.002 2 1 . . . A 79 GLU CG . 19811 1
901 . 1 1 79 79 GLU N N 15 121.303 0.024 18 1 . . . A 79 GLU N . 19811 1
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