data_19707
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 19707
_Entry.Title
;
Solution structure of the extracellular sensor domain of DraK histidine kinase
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2013-12-25
_Entry.Accession_date 2013-12-25
_Entry.Last_release_date 2014-09-16
_Entry.Original_release_date 2014-09-16
_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 'Kwon Joo' Yeo . . . 19707
2 Hae-Kap Cheong . . . 19707
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' . 19707
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
DraK . 19707
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 19707
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 619 19707
'13C chemical shifts' 361 19707
'15N chemical shifts' 93 19707
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 . . 2014-09-16 2013-12-25 original author . 19707
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2MJ6 'BMRB Entry Tracking System' 19707
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 19707
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI 10.1371/journal.pone.0107168
_Citation.PubMed_ID 25203403
_Citation.Full_citation .
_Citation.Title 'Mechanism of the pH-Induced Conformational Change in the Sensor Domain of the DraK Histidine Kinase via the E83, E105, and E107 Residues'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'PLoS One'
_Citation.Journal_name_full .
_Citation.Journal_volume 9
_Citation.Journal_issue 9
_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 e107168
_Citation.Page_last e107168
_Citation.Year 2014
_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 Kwon-Joo Yeo . . . 19707 1
2 Young-Soo Hong . . . 19707 1
3 Jun-Goo Jee . . . 19707 1
4 Jae-Kyoung Lee . . . 19707 1
5 Hyo-Jeong Kim . . . 19707 1
6 Jin-Wan Park . . . 19707 1
7 Eun-Hee Kim . . . 19707 1
8 Eunha Hwang . . . 19707 1
9 Sang-Yoon Kim . . . 19707 1
10 Eun-Gyeong Lee . . . 19707 1
11 Ohsuk Kwon . . . 19707 1
12 Hae-Kap Cheong . . . 19707 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 19707
_Assembly.ID 1
_Assembly.Name 'extracellular sensor domain of DraK histidine kinase'
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 entity 1 $entity A . yes native no no . . . 19707 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity
_Entity.Sf_category entity
_Entity.Sf_framecode entity
_Entity.Entry_ID 19707
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name DraK
_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
;
GSETRTISSTAQERVDLEAV
RLASIVDSRLIGTGSVDEDF
LREQIRDARYAVIRIPGQPV
VEVGTKPTGDVLQGRATGEE
GETVLVEEPR
;
_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 90
_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 9760.893
_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 2MJ6 . "Solution Structure Of The Extracellular Sensor Domain Of Drak Histidine Kinase" . . . . . 100.00 90 100.00 100.00 7.04e-53 . . . . 19707 1
2 no EMBL CAB89434 . "putative two-component system histidine kinase [Streptomyces coelicolor A3(2)]" . . . . . 97.78 424 98.86 100.00 9.96e-48 . . . . 19707 1
3 no GB AIJ15408 . "two-component system histidine kinase [Streptomyces lividans TK24]" . . . . . 97.78 424 97.73 100.00 2.41e-47 . . . . 19707 1
4 no GB EFD68832 . "two-component system histidine kinase [Streptomyces lividans TK24]" . . . . . 97.78 424 97.73 100.00 2.41e-47 . . . . 19707 1
5 no GB EOY48125 . "putative two-component system sensor kinase [Streptomyces lividans 1326]" . . . . . 97.78 424 97.73 100.00 2.41e-47 . . . . 19707 1
6 no GB KKD15092 . "histidine kinase [Streptomyces sp. WM6391]" . . . . . 97.78 424 97.73 100.00 2.41e-47 . . . . 19707 1
7 no REF NP_627282 . "two-component system histidine kinase [Streptomyces coelicolor A3(2)]" . . . . . 97.78 424 98.86 100.00 9.96e-48 . . . . 19707 1
8 no REF WP_003975749 . "MULTISPECIES: two-component system sensor histidine kinase [Streptomyces]" . . . . . 97.78 424 97.73 100.00 2.41e-47 . . . . 19707 1
9 no REF WP_011028744 . "MULTISPECIES: two-component system sensor histidine kinase [Streptomyces]" . . . . . 97.78 424 98.86 100.00 9.96e-48 . . . . 19707 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 . GLY . 19707 1
2 . SER . 19707 1
3 . GLU . 19707 1
4 . THR . 19707 1
5 . ARG . 19707 1
6 . THR . 19707 1
7 . ILE . 19707 1
8 . SER . 19707 1
9 . SER . 19707 1
10 . THR . 19707 1
11 . ALA . 19707 1
12 . GLN . 19707 1
13 . GLU . 19707 1
14 . ARG . 19707 1
15 . VAL . 19707 1
16 . ASP . 19707 1
17 . LEU . 19707 1
18 . GLU . 19707 1
19 . ALA . 19707 1
20 . VAL . 19707 1
21 . ARG . 19707 1
22 . LEU . 19707 1
23 . ALA . 19707 1
24 . SER . 19707 1
25 . ILE . 19707 1
26 . VAL . 19707 1
27 . ASP . 19707 1
28 . SER . 19707 1
29 . ARG . 19707 1
30 . LEU . 19707 1
31 . ILE . 19707 1
32 . GLY . 19707 1
33 . THR . 19707 1
34 . GLY . 19707 1
35 . SER . 19707 1
36 . VAL . 19707 1
37 . ASP . 19707 1
38 . GLU . 19707 1
39 . ASP . 19707 1
40 . PHE . 19707 1
41 . LEU . 19707 1
42 . ARG . 19707 1
43 . GLU . 19707 1
44 . GLN . 19707 1
45 . ILE . 19707 1
46 . ARG . 19707 1
47 . ASP . 19707 1
48 . ALA . 19707 1
49 . ARG . 19707 1
50 . TYR . 19707 1
51 . ALA . 19707 1
52 . VAL . 19707 1
53 . ILE . 19707 1
54 . ARG . 19707 1
55 . ILE . 19707 1
56 . PRO . 19707 1
57 . GLY . 19707 1
58 . GLN . 19707 1
59 . PRO . 19707 1
60 . VAL . 19707 1
61 . VAL . 19707 1
62 . GLU . 19707 1
63 . VAL . 19707 1
64 . GLY . 19707 1
65 . THR . 19707 1
66 . LYS . 19707 1
67 . PRO . 19707 1
68 . THR . 19707 1
69 . GLY . 19707 1
70 . ASP . 19707 1
71 . VAL . 19707 1
72 . LEU . 19707 1
73 . GLN . 19707 1
74 . GLY . 19707 1
75 . ARG . 19707 1
76 . ALA . 19707 1
77 . THR . 19707 1
78 . GLY . 19707 1
79 . GLU . 19707 1
80 . GLU . 19707 1
81 . GLY . 19707 1
82 . GLU . 19707 1
83 . THR . 19707 1
84 . VAL . 19707 1
85 . LEU . 19707 1
86 . VAL . 19707 1
87 . GLU . 19707 1
88 . GLU . 19707 1
89 . PRO . 19707 1
90 . ARG . 19707 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. GLY 1 1 19707 1
. SER 2 2 19707 1
. GLU 3 3 19707 1
. THR 4 4 19707 1
. ARG 5 5 19707 1
. THR 6 6 19707 1
. ILE 7 7 19707 1
. SER 8 8 19707 1
. SER 9 9 19707 1
. THR 10 10 19707 1
. ALA 11 11 19707 1
. GLN 12 12 19707 1
. GLU 13 13 19707 1
. ARG 14 14 19707 1
. VAL 15 15 19707 1
. ASP 16 16 19707 1
. LEU 17 17 19707 1
. GLU 18 18 19707 1
. ALA 19 19 19707 1
. VAL 20 20 19707 1
. ARG 21 21 19707 1
. LEU 22 22 19707 1
. ALA 23 23 19707 1
. SER 24 24 19707 1
. ILE 25 25 19707 1
. VAL 26 26 19707 1
. ASP 27 27 19707 1
. SER 28 28 19707 1
. ARG 29 29 19707 1
. LEU 30 30 19707 1
. ILE 31 31 19707 1
. GLY 32 32 19707 1
. THR 33 33 19707 1
. GLY 34 34 19707 1
. SER 35 35 19707 1
. VAL 36 36 19707 1
. ASP 37 37 19707 1
. GLU 38 38 19707 1
. ASP 39 39 19707 1
. PHE 40 40 19707 1
. LEU 41 41 19707 1
. ARG 42 42 19707 1
. GLU 43 43 19707 1
. GLN 44 44 19707 1
. ILE 45 45 19707 1
. ARG 46 46 19707 1
. ASP 47 47 19707 1
. ALA 48 48 19707 1
. ARG 49 49 19707 1
. TYR 50 50 19707 1
. ALA 51 51 19707 1
. VAL 52 52 19707 1
. ILE 53 53 19707 1
. ARG 54 54 19707 1
. ILE 55 55 19707 1
. PRO 56 56 19707 1
. GLY 57 57 19707 1
. GLN 58 58 19707 1
. PRO 59 59 19707 1
. VAL 60 60 19707 1
. VAL 61 61 19707 1
. GLU 62 62 19707 1
. VAL 63 63 19707 1
. GLY 64 64 19707 1
. THR 65 65 19707 1
. LYS 66 66 19707 1
. PRO 67 67 19707 1
. THR 68 68 19707 1
. GLY 69 69 19707 1
. ASP 70 70 19707 1
. VAL 71 71 19707 1
. LEU 72 72 19707 1
. GLN 73 73 19707 1
. GLY 74 74 19707 1
. ARG 75 75 19707 1
. ALA 76 76 19707 1
. THR 77 77 19707 1
. GLY 78 78 19707 1
. GLU 79 79 19707 1
. GLU 80 80 19707 1
. GLY 81 81 19707 1
. GLU 82 82 19707 1
. THR 83 83 19707 1
. VAL 84 84 19707 1
. LEU 85 85 19707 1
. VAL 86 86 19707 1
. GLU 87 87 19707 1
. GLU 88 88 19707 1
. PRO 89 89 19707 1
. ARG 90 90 19707 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 19707
_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 . 1902 organism . 'Streptomyces coelicolor' 'High GC gram positive' . . Bacteria Actinobacteria Streptomyces coelicolor . . . . . . . . . . . . . . . . . . . . . 19707 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 19707
_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' 'Streptomyces coelicolor' . . . Streptomyces coelicolor . . . . . . . . . . . . . . . . pET28a . . . . . . 19707 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 19707
_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 DraK '[U-13C; U-15N]' . . 1 $entity . . 1 . . mM . . . . 19707 1
2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19707 1
3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19707 1
4 'sodium acetate' 'natural abundance' . . . . . . 10 . . mM . . . . 19707 1
5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 19707 1
stop_
save_
#######################
# Sample conditions #
#######################
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID 19707
_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' 0.05 . M 19707 1
pH 4.5 . pH 19707 1
pressure 1 . atm 19707 1
temperature 298 . K 19707 1
stop_
save_
############################
# Computer software used #
############################
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 19707
_Software.ID 1
_Software.Name CYANA
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 19707 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 19707 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 19707
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model Avance
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 900
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 19707
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Bruker Avance . 900 . . . 19707 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 19707
_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 . . . . . . . . . . . . . . . . 19707 1
2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 1
3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 1
4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 1
5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 1
6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 1
7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 1
8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 1
9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19707 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 19707
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19707 1
H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19707 1
N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19707 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 19707
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 19707 1
2 '3D HNCO' . . . 19707 1
3 '3D HNCA' . . . 19707 1
4 '3D CBCA(CO)NH' . . . 19707 1
5 '3D HNCACB' . . . 19707 1
6 '3D HBHA(CO)NH' . . . 19707 1
7 '3D 1H-13C NOESY' . . . 19707 1
8 '3D 1H-15N NOESY' . . . 19707 1
9 '3D HCCH-TOCSY' . . . 19707 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 1 1 GLY HA2 H 1 3.909 0 . . . . . . 1 GLY HA . 19707 1
2 . 1 1 1 1 GLY HA3 H 1 3.909 0 . . . . . . 1 GLY HA . 19707 1
3 . 1 1 1 1 GLY C C 13 170.556 0 . . . . . . 1 GLY C . 19707 1
4 . 1 1 1 1 GLY CA C 13 43.516 0 . . . . . . 1 GLY CA . 19707 1
5 . 1 1 2 2 SER H H 1 8.731 0.002 . . . . . . 2 SER H . 19707 1
6 . 1 1 2 2 SER HA H 1 4.478 0.006 . . . . . . 2 SER HA . 19707 1
7 . 1 1 2 2 SER HB2 H 1 3.874 0.009 . . . . . . 2 SER HB . 19707 1
8 . 1 1 2 2 SER HB3 H 1 3.874 0.009 . . . . . . 2 SER HB . 19707 1
9 . 1 1 2 2 SER C C 13 174.538 0 . . . . . . 2 SER C . 19707 1
10 . 1 1 2 2 SER CA C 13 58.62 0.013 . . . . . . 2 SER CA . 19707 1
11 . 1 1 2 2 SER CB C 13 63.772 0.027 . . . . . . 2 SER CB . 19707 1
12 . 1 1 2 2 SER N N 15 116.063 0.015 . . . . . . 2 SER N . 19707 1
13 . 1 1 3 3 GLU H H 1 8.776 0.003 . . . . . . 3 GLU H . 19707 1
14 . 1 1 3 3 GLU HA H 1 4.39 0.003 . . . . . . 3 GLU HA . 19707 1
15 . 1 1 3 3 GLU HB2 H 1 1.972 0.002 . . . . . . 3 GLU HB2 . 19707 1
16 . 1 1 3 3 GLU HB3 H 1 2.096 0.002 . . . . . . 3 GLU HB3 . 19707 1
17 . 1 1 3 3 GLU HG2 H 1 2.3 0 . . . . . . 3 GLU HG2 . 19707 1
18 . 1 1 3 3 GLU HG3 H 1 2.347 0 . . . . . . 3 GLU HG3 . 19707 1
19 . 1 1 3 3 GLU C C 13 176.567 0 . . . . . . 3 GLU C . 19707 1
20 . 1 1 3 3 GLU CA C 13 56.704 0.024 . . . . . . 3 GLU CA . 19707 1
21 . 1 1 3 3 GLU CB C 13 29.587 0.01 . . . . . . 3 GLU CB . 19707 1
22 . 1 1 3 3 GLU CG C 13 35.42 0 . . . . . . 3 GLU CG . 19707 1
23 . 1 1 3 3 GLU N N 15 123.041 0.014 . . . . . . 3 GLU N . 19707 1
24 . 1 1 4 4 THR H H 1 8.235 0.002 . . . . . . 4 THR H . 19707 1
25 . 1 1 4 4 THR HA H 1 4.303 0.004 . . . . . . 4 THR HA . 19707 1
26 . 1 1 4 4 THR HB H 1 4.174 0.003 . . . . . . 4 THR HB . 19707 1
27 . 1 1 4 4 THR HG21 H 1 1.193 0.002 . . . . . . 4 THR HG2 . 19707 1
28 . 1 1 4 4 THR HG22 H 1 1.193 0.002 . . . . . . 4 THR HG2 . 19707 1
29 . 1 1 4 4 THR HG23 H 1 1.193 0.002 . . . . . . 4 THR HG2 . 19707 1
30 . 1 1 4 4 THR C C 13 174.469 0 . . . . . . 4 THR C . 19707 1
31 . 1 1 4 4 THR CA C 13 62.164 0.015 . . . . . . 4 THR CA . 19707 1
32 . 1 1 4 4 THR CB C 13 69.759 0.069 . . . . . . 4 THR CB . 19707 1
33 . 1 1 4 4 THR CG2 C 13 21.589 0.062 . . . . . . 4 THR CG2 . 19707 1
34 . 1 1 4 4 THR N N 15 116.282 0.019 . . . . . . 4 THR N . 19707 1
35 . 1 1 5 5 ARG H H 1 8.424 0.002 . . . . . . 5 ARG H . 19707 1
36 . 1 1 5 5 ARG HA H 1 4.43 0.003 . . . . . . 5 ARG HA . 19707 1
37 . 1 1 5 5 ARG HB2 H 1 1.769 0.004 . . . . . . 5 ARG HB2 . 19707 1
38 . 1 1 5 5 ARG HB3 H 1 1.853 0.004 . . . . . . 5 ARG HB3 . 19707 1
39 . 1 1 5 5 ARG HG2 H 1 1.598 0.004 . . . . . . 5 ARG HG2 . 19707 1
40 . 1 1 5 5 ARG HG3 H 1 1.643 0 . . . . . . 5 ARG HG3 . 19707 1
41 . 1 1 5 5 ARG HD2 H 1 3.194 0.001 . . . . . . 5 ARG HD . 19707 1
42 . 1 1 5 5 ARG HD3 H 1 3.194 0.001 . . . . . . 5 ARG HD . 19707 1
43 . 1 1 5 5 ARG C C 13 176.27 0 . . . . . . 5 ARG C . 19707 1
44 . 1 1 5 5 ARG CA C 13 56.093 0.054 . . . . . . 5 ARG CA . 19707 1
45 . 1 1 5 5 ARG CB C 13 30.915 0.039 . . . . . . 5 ARG CB . 19707 1
46 . 1 1 5 5 ARG CG C 13 27.113 0.027 . . . . . . 5 ARG CG . 19707 1
47 . 1 1 5 5 ARG CD C 13 43.337 0.016 . . . . . . 5 ARG CD . 19707 1
48 . 1 1 5 5 ARG N N 15 124.284 0.02 . . . . . . 5 ARG N . 19707 1
49 . 1 1 6 6 THR H H 1 8.294 0.002 . . . . . . 6 THR H . 19707 1
50 . 1 1 6 6 THR HA H 1 4.333 0.004 . . . . . . 6 THR HA . 19707 1
51 . 1 1 6 6 THR HB H 1 4.168 0.005 . . . . . . 6 THR HB . 19707 1
52 . 1 1 6 6 THR HG21 H 1 1.185 0.002 . . . . . . 6 THR HG2 . 19707 1
53 . 1 1 6 6 THR HG22 H 1 1.185 0.002 . . . . . . 6 THR HG2 . 19707 1
54 . 1 1 6 6 THR HG23 H 1 1.185 0.002 . . . . . . 6 THR HG2 . 19707 1
55 . 1 1 6 6 THR C C 13 174.534 0 . . . . . . 6 THR C . 19707 1
56 . 1 1 6 6 THR CA C 13 61.968 0.028 . . . . . . 6 THR CA . 19707 1
57 . 1 1 6 6 THR CB C 13 69.963 0.038 . . . . . . 6 THR CB . 19707 1
58 . 1 1 6 6 THR CG2 C 13 21.73 0 . . . . . . 6 THR CG2 . 19707 1
59 . 1 1 6 6 THR N N 15 116.752 0.014 . . . . . . 6 THR N . 19707 1
60 . 1 1 7 7 ILE H H 1 8.317 0.002 . . . . . . 7 ILE H . 19707 1
61 . 1 1 7 7 ILE HA H 1 4.208 0.004 . . . . . . 7 ILE HA . 19707 1
62 . 1 1 7 7 ILE HB H 1 1.874 0.003 . . . . . . 7 ILE HB . 19707 1
63 . 1 1 7 7 ILE HG12 H 1 1.176 0.003 . . . . . . 7 ILE HG12 . 19707 1
64 . 1 1 7 7 ILE HG13 H 1 1.485 0.002 . . . . . . 7 ILE HG13 . 19707 1
65 . 1 1 7 7 ILE HG21 H 1 0.922 0.004 . . . . . . 7 ILE HG2 . 19707 1
66 . 1 1 7 7 ILE HG22 H 1 0.922 0.004 . . . . . . 7 ILE HG2 . 19707 1
67 . 1 1 7 7 ILE HG23 H 1 0.922 0.004 . . . . . . 7 ILE HG2 . 19707 1
68 . 1 1 7 7 ILE HD11 H 1 0.859 0.002 . . . . . . 7 ILE HD1 . 19707 1
69 . 1 1 7 7 ILE HD12 H 1 0.859 0.002 . . . . . . 7 ILE HD1 . 19707 1
70 . 1 1 7 7 ILE HD13 H 1 0.859 0.002 . . . . . . 7 ILE HD1 . 19707 1
71 . 1 1 7 7 ILE C C 13 176.322 0 . . . . . . 7 ILE C . 19707 1
72 . 1 1 7 7 ILE CA C 13 61.232 0.03 . . . . . . 7 ILE CA . 19707 1
73 . 1 1 7 7 ILE CB C 13 38.819 0.033 . . . . . . 7 ILE CB . 19707 1
74 . 1 1 7 7 ILE CG1 C 13 27.337 0.049 . . . . . . 7 ILE CG1 . 19707 1
75 . 1 1 7 7 ILE CG2 C 13 17.495 0.049 . . . . . . 7 ILE CG2 . 19707 1
76 . 1 1 7 7 ILE CD1 C 13 12.978 0.12 . . . . . . 7 ILE CD1 . 19707 1
77 . 1 1 7 7 ILE N N 15 123.982 0.028 . . . . . . 7 ILE N . 19707 1
78 . 1 1 8 8 SER H H 1 8.472 0.03 . . . . . . 8 SER H . 19707 1
79 . 1 1 8 8 SER HA H 1 4.515 0.003 . . . . . . 8 SER HA . 19707 1
80 . 1 1 8 8 SER HB2 H 1 3.869 0.006 . . . . . . 8 SER HB . 19707 1
81 . 1 1 8 8 SER HB3 H 1 3.869 0.006 . . . . . . 8 SER HB . 19707 1
82 . 1 1 8 8 SER C C 13 174.676 0 . . . . . . 8 SER C . 19707 1
83 . 1 1 8 8 SER CA C 13 58.272 0.006 . . . . . . 8 SER CA . 19707 1
84 . 1 1 8 8 SER CB C 13 63.823 0.027 . . . . . . 8 SER CB . 19707 1
85 . 1 1 8 8 SER N N 15 120.387 0.01 . . . . . . 8 SER N . 19707 1
86 . 1 1 9 9 SER H H 1 8.432 0.002 . . . . . . 9 SER H . 19707 1
87 . 1 1 9 9 SER HA H 1 4.595 0.003 . . . . . . 9 SER HA . 19707 1
88 . 1 1 9 9 SER HB2 H 1 3.946 0.003 . . . . . . 9 SER HB2 . 19707 1
89 . 1 1 9 9 SER HB3 H 1 4 0.003 . . . . . . 9 SER HB3 . 19707 1
90 . 1 1 9 9 SER C C 13 175.413 0 . . . . . . 9 SER C . 19707 1
91 . 1 1 9 9 SER CA C 13 58.647 0.069 . . . . . . 9 SER CA . 19707 1
92 . 1 1 9 9 SER CB C 13 64.125 0.045 . . . . . . 9 SER CB . 19707 1
93 . 1 1 9 9 SER N N 15 118.525 0.01 . . . . . . 9 SER N . 19707 1
94 . 1 1 10 10 THR H H 1 8.344 0.002 . . . . . . 10 THR H . 19707 1
95 . 1 1 10 10 THR HA H 1 4.302 0.002 . . . . . . 10 THR HA . 19707 1
96 . 1 1 10 10 THR HB H 1 4.414 0.006 . . . . . . 10 THR HB . 19707 1
97 . 1 1 10 10 THR HG21 H 1 1.276 0.003 . . . . . . 10 THR HG2 . 19707 1
98 . 1 1 10 10 THR HG22 H 1 1.276 0.003 . . . . . . 10 THR HG2 . 19707 1
99 . 1 1 10 10 THR HG23 H 1 1.276 0.003 . . . . . . 10 THR HG2 . 19707 1
100 . 1 1 10 10 THR C C 13 175.82 0 . . . . . . 10 THR C . 19707 1
101 . 1 1 10 10 THR CA C 13 63.068 0.07 . . . . . . 10 THR CA . 19707 1
102 . 1 1 10 10 THR CB C 13 69.955 0.037 . . . . . . 10 THR CB . 19707 1
103 . 1 1 10 10 THR CG2 C 13 21.996 0.004 . . . . . . 10 THR CG2 . 19707 1
104 . 1 1 10 10 THR N N 15 115.776 0.006 . . . . . . 10 THR N . 19707 1
105 . 1 1 11 11 ALA H H 1 8.417 0 . . . . . . 11 ALA H . 19707 1
106 . 1 1 11 11 ALA HA H 1 4.057 0.004 . . . . . . 11 ALA HA . 19707 1
107 . 1 1 11 11 ALA HB1 H 1 1.428 0.003 . . . . . . 11 ALA HB . 19707 1
108 . 1 1 11 11 ALA HB2 H 1 1.428 0.003 . . . . . . 11 ALA HB . 19707 1
109 . 1 1 11 11 ALA HB3 H 1 1.428 0.003 . . . . . . 11 ALA HB . 19707 1
110 . 1 1 11 11 ALA C C 13 179.575 0 . . . . . . 11 ALA C . 19707 1
111 . 1 1 11 11 ALA CA C 13 55.291 0.08 . . . . . . 11 ALA CA . 19707 1
112 . 1 1 11 11 ALA CB C 13 18.639 0.024 . . . . . . 11 ALA CB . 19707 1
113 . 1 1 11 11 ALA N N 15 124.826 0.029 . . . . . . 11 ALA N . 19707 1
114 . 1 1 12 12 GLN H H 1 8.264 0.002 . . . . . . 12 GLN H . 19707 1
115 . 1 1 12 12 GLN HA H 1 3.859 0.003 . . . . . . 12 GLN HA . 19707 1
116 . 1 1 12 12 GLN HB2 H 1 2.046 0.004 . . . . . . 12 GLN HB2 . 19707 1
117 . 1 1 12 12 GLN HB3 H 1 2.203 0.003 . . . . . . 12 GLN HB3 . 19707 1
118 . 1 1 12 12 GLN HG2 H 1 2.315 0.005 . . . . . . 12 GLN HG2 . 19707 1
119 . 1 1 12 12 GLN HG3 H 1 2.421 0.002 . . . . . . 12 GLN HG3 . 19707 1
120 . 1 1 12 12 GLN HE21 H 1 7.158 0 . . . . . . 12 GLN HE21 . 19707 1
121 . 1 1 12 12 GLN HE22 H 1 7.876 0 . . . . . . 12 GLN HE22 . 19707 1
122 . 1 1 12 12 GLN C C 13 177.447 0 . . . . . . 12 GLN C . 19707 1
123 . 1 1 12 12 GLN CA C 13 57.754 0.028 . . . . . . 12 GLN CA . 19707 1
124 . 1 1 12 12 GLN CB C 13 28.975 0.001 . . . . . . 12 GLN CB . 19707 1
125 . 1 1 12 12 GLN CG C 13 33.591 0 . . . . . . 12 GLN CG . 19707 1
126 . 1 1 12 12 GLN N N 15 118.015 0.008 . . . . . . 12 GLN N . 19707 1
127 . 1 1 12 12 GLN NE2 N 15 118.843 0.001 . . . . . . 12 GLN NE2 . 19707 1
128 . 1 1 13 13 GLU H H 1 7.987 0.007 . . . . . . 13 GLU H . 19707 1
129 . 1 1 13 13 GLU HA H 1 4.173 0.006 . . . . . . 13 GLU HA . 19707 1
130 . 1 1 13 13 GLU HB2 H 1 2.084 0.002 . . . . . . 13 GLU HB2 . 19707 1
131 . 1 1 13 13 GLU HB3 H 1 2.233 0.003 . . . . . . 13 GLU HB3 . 19707 1
132 . 1 1 13 13 GLU HG2 H 1 2.444 0.004 . . . . . . 13 GLU HG . 19707 1
133 . 1 1 13 13 GLU HG3 H 1 2.444 0.004 . . . . . . 13 GLU HG . 19707 1
134 . 1 1 13 13 GLU C C 13 178.942 0 . . . . . . 13 GLU C . 19707 1
135 . 1 1 13 13 GLU CA C 13 59.065 0.055 . . . . . . 13 GLU CA . 19707 1
136 . 1 1 13 13 GLU CB C 13 28.783 0.037 . . . . . . 13 GLU CB . 19707 1
137 . 1 1 13 13 GLU CG C 13 35.285 0 . . . . . . 13 GLU CG . 19707 1
138 . 1 1 13 13 GLU N N 15 118.61 0.106 . . . . . . 13 GLU N . 19707 1
139 . 1 1 14 14 ARG H H 1 7.977 0.006 . . . . . . 14 ARG H . 19707 1
140 . 1 1 14 14 ARG HA H 1 4.038 0.005 . . . . . . 14 ARG HA . 19707 1
141 . 1 1 14 14 ARG HB2 H 1 1.965 0 . . . . . . 14 ARG HB . 19707 1
142 . 1 1 14 14 ARG HB3 H 1 1.965 0 . . . . . . 14 ARG HB . 19707 1
143 . 1 1 14 14 ARG HG2 H 1 1.513 0.001 . . . . . . 14 ARG HG2 . 19707 1
144 . 1 1 14 14 ARG HG3 H 1 1.79 0 . . . . . . 14 ARG HG3 . 19707 1
145 . 1 1 14 14 ARG HD2 H 1 3.206 0.002 . . . . . . 14 ARG HD . 19707 1
146 . 1 1 14 14 ARG HD3 H 1 3.206 0.002 . . . . . . 14 ARG HD . 19707 1
147 . 1 1 14 14 ARG HE H 1 7.321 0.007 . . . . . . 14 ARG HE . 19707 1
148 . 1 1 14 14 ARG C C 13 179.514 0 . . . . . . 14 ARG C . 19707 1
149 . 1 1 14 14 ARG CA C 13 60.033 0.068 . . . . . . 14 ARG CA . 19707 1
150 . 1 1 14 14 ARG CB C 13 29.987 0.039 . . . . . . 14 ARG CB . 19707 1
151 . 1 1 14 14 ARG CG C 13 27.946 0.023 . . . . . . 14 ARG CG . 19707 1
152 . 1 1 14 14 ARG CD C 13 43.49 0.001 . . . . . . 14 ARG CD . 19707 1
153 . 1 1 14 14 ARG N N 15 118.293 0.177 . . . . . . 14 ARG N . 19707 1
154 . 1 1 14 14 ARG NE N 15 115.901 0.02 . . . . . . 14 ARG NE . 19707 1
155 . 1 1 15 15 VAL H H 1 7.728 0.003 . . . . . . 15 VAL H . 19707 1
156 . 1 1 15 15 VAL HA H 1 3.973 0.004 . . . . . . 15 VAL HA . 19707 1
157 . 1 1 15 15 VAL HB H 1 1.928 0.003 . . . . . . 15 VAL HB . 19707 1
158 . 1 1 15 15 VAL HG11 H 1 0.926 0.004 . . . . . . 15 VAL HG1 . 19707 1
159 . 1 1 15 15 VAL HG12 H 1 0.926 0.004 . . . . . . 15 VAL HG1 . 19707 1
160 . 1 1 15 15 VAL HG13 H 1 0.926 0.004 . . . . . . 15 VAL HG1 . 19707 1
161 . 1 1 15 15 VAL HG21 H 1 0.875 0.001 . . . . . . 15 VAL HG2 . 19707 1
162 . 1 1 15 15 VAL HG22 H 1 0.875 0.001 . . . . . . 15 VAL HG2 . 19707 1
163 . 1 1 15 15 VAL HG23 H 1 0.875 0.001 . . . . . . 15 VAL HG2 . 19707 1
164 . 1 1 15 15 VAL C C 13 177.672 0 . . . . . . 15 VAL C . 19707 1
165 . 1 1 15 15 VAL CA C 13 65.581 0.035 . . . . . . 15 VAL CA . 19707 1
166 . 1 1 15 15 VAL CB C 13 31.473 0.07 . . . . . . 15 VAL CB . 19707 1
167 . 1 1 15 15 VAL CG1 C 13 22.383 0.111 . . . . . . 15 VAL CG1 . 19707 1
168 . 1 1 15 15 VAL N N 15 118.091 0.009 . . . . . . 15 VAL N . 19707 1
169 . 1 1 16 16 ASP H H 1 8.361 0.003 . . . . . . 16 ASP H . 19707 1
170 . 1 1 16 16 ASP HA H 1 4.386 0.003 . . . . . . 16 ASP HA . 19707 1
171 . 1 1 16 16 ASP HB2 H 1 2.793 0.003 . . . . . . 16 ASP HB2 . 19707 1
172 . 1 1 16 16 ASP HB3 H 1 2.956 0.004 . . . . . . 16 ASP HB3 . 19707 1
173 . 1 1 16 16 ASP C C 13 179.212 0 . . . . . . 16 ASP C . 19707 1
174 . 1 1 16 16 ASP CA C 13 58.076 0.043 . . . . . . 16 ASP CA . 19707 1
175 . 1 1 16 16 ASP CB C 13 39.419 0.028 . . . . . . 16 ASP CB . 19707 1
176 . 1 1 16 16 ASP N N 15 124.414 0.024 . . . . . . 16 ASP N . 19707 1
177 . 1 1 17 17 LEU H H 1 8.242 0.004 . . . . . . 17 LEU H . 19707 1
178 . 1 1 17 17 LEU HA H 1 4.124 0.004 . . . . . . 17 LEU HA . 19707 1
179 . 1 1 17 17 LEU HB2 H 1 1.62 0.004 . . . . . . 17 LEU HB2 . 19707 1
180 . 1 1 17 17 LEU HB3 H 1 1.864 0.005 . . . . . . 17 LEU HB3 . 19707 1
181 . 1 1 17 17 LEU HG H 1 1.801 0.001 . . . . . . 17 LEU HG . 19707 1
182 . 1 1 17 17 LEU HD11 H 1 0.904 0.003 . . . . . . 17 LEU HD1 . 19707 1
183 . 1 1 17 17 LEU HD12 H 1 0.904 0.003 . . . . . . 17 LEU HD1 . 19707 1
184 . 1 1 17 17 LEU HD13 H 1 0.904 0.003 . . . . . . 17 LEU HD1 . 19707 1
185 . 1 1 17 17 LEU HD21 H 1 0.911 0 . . . . . . 17 LEU HD2 . 19707 1
186 . 1 1 17 17 LEU HD22 H 1 0.911 0 . . . . . . 17 LEU HD2 . 19707 1
187 . 1 1 17 17 LEU HD23 H 1 0.911 0 . . . . . . 17 LEU HD2 . 19707 1
188 . 1 1 17 17 LEU C C 13 179.921 0 . . . . . . 17 LEU C . 19707 1
189 . 1 1 17 17 LEU CA C 13 57.73 0.05 . . . . . . 17 LEU CA . 19707 1
190 . 1 1 17 17 LEU CB C 13 41.595 0.011 . . . . . . 17 LEU CB . 19707 1
191 . 1 1 17 17 LEU CD1 C 13 23.44 0.165 . . . . . . 17 LEU CD1 . 19707 1
192 . 1 1 17 17 LEU CD2 C 13 24.655 0.065 . . . . . . 17 LEU CD2 . 19707 1
193 . 1 1 17 17 LEU N N 15 120.312 0.018 . . . . . . 17 LEU N . 19707 1
194 . 1 1 18 18 GLU H H 1 7.946 0.004 . . . . . . 18 GLU H . 19707 1
195 . 1 1 18 18 GLU HA H 1 4.263 0.005 . . . . . . 18 GLU HA . 19707 1
196 . 1 1 18 18 GLU HB2 H 1 2 0.002 . . . . . . 18 GLU HB2 . 19707 1
197 . 1 1 18 18 GLU HB3 H 1 2.34 0.002 . . . . . . 18 GLU HB3 . 19707 1
198 . 1 1 18 18 GLU HG2 H 1 2.346 0 . . . . . . 18 GLU HG2 . 19707 1
199 . 1 1 18 18 GLU HG3 H 1 2.466 0.001 . . . . . . 18 GLU HG3 . 19707 1
200 . 1 1 18 18 GLU C C 13 178.747 0 . . . . . . 18 GLU C . 19707 1
201 . 1 1 18 18 GLU CA C 13 58.852 0.05 . . . . . . 18 GLU CA . 19707 1
202 . 1 1 18 18 GLU CB C 13 28.822 0.033 . . . . . . 18 GLU CB . 19707 1
203 . 1 1 18 18 GLU CG C 13 34.872 0 . . . . . . 18 GLU CG . 19707 1
204 . 1 1 18 18 GLU N N 15 120.687 0.016 . . . . . . 18 GLU N . 19707 1
205 . 1 1 19 19 ALA H H 1 7.862 0.003 . . . . . . 19 ALA H . 19707 1
206 . 1 1 19 19 ALA HA H 1 3.861 0.005 . . . . . . 19 ALA HA . 19707 1
207 . 1 1 19 19 ALA HB1 H 1 1.278 0.004 . . . . . . 19 ALA HB . 19707 1
208 . 1 1 19 19 ALA HB2 H 1 1.278 0.004 . . . . . . 19 ALA HB . 19707 1
209 . 1 1 19 19 ALA HB3 H 1 1.278 0.004 . . . . . . 19 ALA HB . 19707 1
210 . 1 1 19 19 ALA C C 13 178.458 0 . . . . . . 19 ALA C . 19707 1
211 . 1 1 19 19 ALA CA C 13 55.602 0.046 . . . . . . 19 ALA CA . 19707 1
212 . 1 1 19 19 ALA CB C 13 16.904 0.005 . . . . . . 19 ALA CB . 19707 1
213 . 1 1 19 19 ALA N N 15 121.9 0.014 . . . . . . 19 ALA N . 19707 1
214 . 1 1 20 20 VAL H H 1 7.782 0.004 . . . . . . 20 VAL H . 19707 1
215 . 1 1 20 20 VAL HA H 1 3.37 0.004 . . . . . . 20 VAL HA . 19707 1
216 . 1 1 20 20 VAL HB H 1 2.164 0.003 . . . . . . 20 VAL HB . 19707 1
217 . 1 1 20 20 VAL HG11 H 1 0.982 0.002 . . . . . . 20 VAL HG1 . 19707 1
218 . 1 1 20 20 VAL HG12 H 1 0.982 0.002 . . . . . . 20 VAL HG1 . 19707 1
219 . 1 1 20 20 VAL HG13 H 1 0.982 0.002 . . . . . . 20 VAL HG1 . 19707 1
220 . 1 1 20 20 VAL HG21 H 1 1.148 0.002 . . . . . . 20 VAL HG2 . 19707 1
221 . 1 1 20 20 VAL HG22 H 1 1.148 0.002 . . . . . . 20 VAL HG2 . 19707 1
222 . 1 1 20 20 VAL HG23 H 1 1.148 0.002 . . . . . . 20 VAL HG2 . 19707 1
223 . 1 1 20 20 VAL C C 13 179.026 0 . . . . . . 20 VAL C . 19707 1
224 . 1 1 20 20 VAL CA C 13 66.557 0.079 . . . . . . 20 VAL CA . 19707 1
225 . 1 1 20 20 VAL CB C 13 32.301 0.065 . . . . . . 20 VAL CB . 19707 1
226 . 1 1 20 20 VAL CG1 C 13 21.031 0.021 . . . . . . 20 VAL CG1 . 19707 1
227 . 1 1 20 20 VAL CG2 C 13 23.075 0.044 . . . . . . 20 VAL CG2 . 19707 1
228 . 1 1 20 20 VAL N N 15 118.78 0.01 . . . . . . 20 VAL N . 19707 1
229 . 1 1 21 21 ARG H H 1 8.514 0.003 . . . . . . 21 ARG H . 19707 1
230 . 1 1 21 21 ARG HA H 1 4.065 0.004 . . . . . . 21 ARG HA . 19707 1
231 . 1 1 21 21 ARG HB2 H 1 1.924 0 . . . . . . 21 ARG HB . 19707 1
232 . 1 1 21 21 ARG HB3 H 1 1.924 0 . . . . . . 21 ARG HB . 19707 1
233 . 1 1 21 21 ARG HG2 H 1 1.715 0 . . . . . . 21 ARG HG . 19707 1
234 . 1 1 21 21 ARG HG3 H 1 1.715 0 . . . . . . 21 ARG HG . 19707 1
235 . 1 1 21 21 ARG HD2 H 1 3.147 0 . . . . . . 21 ARG HD2 . 19707 1
236 . 1 1 21 21 ARG HD3 H 1 3.278 0.004 . . . . . . 21 ARG HD3 . 19707 1
237 . 1 1 21 21 ARG HE H 1 7.643 0.004 . . . . . . 21 ARG HE . 19707 1
238 . 1 1 21 21 ARG C C 13 179.578 0 . . . . . . 21 ARG C . 19707 1
239 . 1 1 21 21 ARG CA C 13 59.41 0.053 . . . . . . 21 ARG CA . 19707 1
240 . 1 1 21 21 ARG CB C 13 30.04 0.027 . . . . . . 21 ARG CB . 19707 1
241 . 1 1 21 21 ARG CG C 13 27.692 0.1 . . . . . . 21 ARG CG . 19707 1
242 . 1 1 21 21 ARG CD C 13 43.118 0.011 . . . . . . 21 ARG CD . 19707 1
243 . 1 1 21 21 ARG N N 15 122.035 0.051 . . . . . . 21 ARG N . 19707 1
244 . 1 1 21 21 ARG NE N 15 116.164 0.023 . . . . . . 21 ARG NE . 19707 1
245 . 1 1 22 22 LEU H H 1 8.318 0.004 . . . . . . 22 LEU H . 19707 1
246 . 1 1 22 22 LEU HA H 1 4.065 0.003 . . . . . . 22 LEU HA . 19707 1
247 . 1 1 22 22 LEU HB2 H 1 1.44 0.006 . . . . . . 22 LEU HB2 . 19707 1
248 . 1 1 22 22 LEU HB3 H 1 1.751 0.002 . . . . . . 22 LEU HB3 . 19707 1
249 . 1 1 22 22 LEU HG H 1 1.608 0.002 . . . . . . 22 LEU HG . 19707 1
250 . 1 1 22 22 LEU HD11 H 1 0.613 0.004 . . . . . . 22 LEU HD1 . 19707 1
251 . 1 1 22 22 LEU HD12 H 1 0.613 0.004 . . . . . . 22 LEU HD1 . 19707 1
252 . 1 1 22 22 LEU HD13 H 1 0.613 0.004 . . . . . . 22 LEU HD1 . 19707 1
253 . 1 1 22 22 LEU HD21 H 1 0.694 0.006 . . . . . . 22 LEU HD2 . 19707 1
254 . 1 1 22 22 LEU HD22 H 1 0.694 0.006 . . . . . . 22 LEU HD2 . 19707 1
255 . 1 1 22 22 LEU HD23 H 1 0.694 0.006 . . . . . . 22 LEU HD2 . 19707 1
256 . 1 1 22 22 LEU C C 13 178.414 0 . . . . . . 22 LEU C . 19707 1
257 . 1 1 22 22 LEU CA C 13 57.618 0.09 . . . . . . 22 LEU CA . 19707 1
258 . 1 1 22 22 LEU CB C 13 41.885 0.068 . . . . . . 22 LEU CB . 19707 1
259 . 1 1 22 22 LEU CG C 13 27.011 0.061 . . . . . . 22 LEU CG . 19707 1
260 . 1 1 22 22 LEU CD1 C 13 24.303 0.127 . . . . . . 22 LEU CD1 . 19707 1
261 . 1 1 22 22 LEU N N 15 119.427 0.037 . . . . . . 22 LEU N . 19707 1
262 . 1 1 23 23 ALA H H 1 8.462 0.004 . . . . . . 23 ALA H . 19707 1
263 . 1 1 23 23 ALA HA H 1 3.805 0.004 . . . . . . 23 ALA HA . 19707 1
264 . 1 1 23 23 ALA HB1 H 1 1.247 0.003 . . . . . . 23 ALA HB . 19707 1
265 . 1 1 23 23 ALA HB2 H 1 1.247 0.003 . . . . . . 23 ALA HB . 19707 1
266 . 1 1 23 23 ALA HB3 H 1 1.247 0.003 . . . . . . 23 ALA HB . 19707 1
267 . 1 1 23 23 ALA C C 13 178.242 0 . . . . . . 23 ALA C . 19707 1
268 . 1 1 23 23 ALA CA C 13 55.819 0.029 . . . . . . 23 ALA CA . 19707 1
269 . 1 1 23 23 ALA CB C 13 16.817 0.003 . . . . . . 23 ALA CB . 19707 1
270 . 1 1 23 23 ALA N N 15 121.302 0.024 . . . . . . 23 ALA N . 19707 1
271 . 1 1 24 24 SER H H 1 7.76 0.004 . . . . . . 24 SER H . 19707 1
272 . 1 1 24 24 SER HA H 1 4.284 0.004 . . . . . . 24 SER HA . 19707 1
273 . 1 1 24 24 SER HB2 H 1 4.089 0.003 . . . . . . 24 SER HB . 19707 1
274 . 1 1 24 24 SER HB3 H 1 4.089 0.003 . . . . . . 24 SER HB . 19707 1
275 . 1 1 24 24 SER C C 13 177.523 0 . . . . . . 24 SER C . 19707 1
276 . 1 1 24 24 SER CA C 13 62.008 0.018 . . . . . . 24 SER CA . 19707 1
277 . 1 1 24 24 SER CB C 13 62.899 0.026 . . . . . . 24 SER CB . 19707 1
278 . 1 1 24 24 SER N N 15 112.477 0.026 . . . . . . 24 SER N . 19707 1
279 . 1 1 25 25 ILE H H 1 7.907 0.004 . . . . . . 25 ILE H . 19707 1
280 . 1 1 25 25 ILE HA H 1 3.912 0.004 . . . . . . 25 ILE HA . 19707 1
281 . 1 1 25 25 ILE HB H 1 2.032 0.003 . . . . . . 25 ILE HB . 19707 1
282 . 1 1 25 25 ILE HG12 H 1 1.22 0.005 . . . . . . 25 ILE HG12 . 19707 1
283 . 1 1 25 25 ILE HG13 H 1 1.798 0.002 . . . . . . 25 ILE HG13 . 19707 1
284 . 1 1 25 25 ILE HG21 H 1 0.989 0.004 . . . . . . 25 ILE HG2 . 19707 1
285 . 1 1 25 25 ILE HG22 H 1 0.989 0.004 . . . . . . 25 ILE HG2 . 19707 1
286 . 1 1 25 25 ILE HG23 H 1 0.989 0.004 . . . . . . 25 ILE HG2 . 19707 1
287 . 1 1 25 25 ILE HD11 H 1 0.864 0.008 . . . . . . 25 ILE HD1 . 19707 1
288 . 1 1 25 25 ILE HD12 H 1 0.864 0.008 . . . . . . 25 ILE HD1 . 19707 1
289 . 1 1 25 25 ILE HD13 H 1 0.864 0.008 . . . . . . 25 ILE HD1 . 19707 1
290 . 1 1 25 25 ILE C C 13 179.237 0 . . . . . . 25 ILE C . 19707 1
291 . 1 1 25 25 ILE CA C 13 64.743 0.034 . . . . . . 25 ILE CA . 19707 1
292 . 1 1 25 25 ILE CB C 13 38.682 0.054 . . . . . . 25 ILE CB . 19707 1
293 . 1 1 25 25 ILE CG1 C 13 29.185 0.067 . . . . . . 25 ILE CG1 . 19707 1
294 . 1 1 25 25 ILE CG2 C 13 17.291 0.013 . . . . . . 25 ILE CG2 . 19707 1
295 . 1 1 25 25 ILE CD1 C 13 13.839 0.059 . . . . . . 25 ILE CD1 . 19707 1
296 . 1 1 25 25 ILE N N 15 123.986 0.029 . . . . . . 25 ILE N . 19707 1
297 . 1 1 26 26 VAL H H 1 8.874 0.003 . . . . . . 26 VAL H . 19707 1
298 . 1 1 26 26 VAL HA H 1 3.458 0.003 . . . . . . 26 VAL HA . 19707 1
299 . 1 1 26 26 VAL HB H 1 2.282 0.002 . . . . . . 26 VAL HB . 19707 1
300 . 1 1 26 26 VAL HG11 H 1 0.886 0.001 . . . . . . 26 VAL HG1 . 19707 1
301 . 1 1 26 26 VAL HG12 H 1 0.886 0.001 . . . . . . 26 VAL HG1 . 19707 1
302 . 1 1 26 26 VAL HG13 H 1 0.886 0.001 . . . . . . 26 VAL HG1 . 19707 1
303 . 1 1 26 26 VAL HG21 H 1 1.011 0.003 . . . . . . 26 VAL HG2 . 19707 1
304 . 1 1 26 26 VAL HG22 H 1 1.011 0.003 . . . . . . 26 VAL HG2 . 19707 1
305 . 1 1 26 26 VAL HG23 H 1 1.011 0.003 . . . . . . 26 VAL HG2 . 19707 1
306 . 1 1 26 26 VAL C C 13 177.374 0 . . . . . . 26 VAL C . 19707 1
307 . 1 1 26 26 VAL CA C 13 67.665 0.029 . . . . . . 26 VAL CA . 19707 1
308 . 1 1 26 26 VAL CB C 13 30.645 0.065 . . . . . . 26 VAL CB . 19707 1
309 . 1 1 26 26 VAL CG1 C 13 22.612 0.043 . . . . . . 26 VAL CG1 . 19707 1
310 . 1 1 26 26 VAL CG2 C 13 24.093 0.042 . . . . . . 26 VAL CG2 . 19707 1
311 . 1 1 26 26 VAL N N 15 122.638 0.011 . . . . . . 26 VAL N . 19707 1
312 . 1 1 27 27 ASP H H 1 8.789 0.005 . . . . . . 27 ASP H . 19707 1
313 . 1 1 27 27 ASP HA H 1 4.234 0.005 . . . . . . 27 ASP HA . 19707 1
314 . 1 1 27 27 ASP HB2 H 1 2.672 0.003 . . . . . . 27 ASP HB2 . 19707 1
315 . 1 1 27 27 ASP HB3 H 1 3.124 0.003 . . . . . . 27 ASP HB3 . 19707 1
316 . 1 1 27 27 ASP C C 13 177.716 0 . . . . . . 27 ASP C . 19707 1
317 . 1 1 27 27 ASP CA C 13 58.079 0.051 . . . . . . 27 ASP CA . 19707 1
318 . 1 1 27 27 ASP CB C 13 40.604 0.033 . . . . . . 27 ASP CB . 19707 1
319 . 1 1 27 27 ASP N N 15 120.533 0.015 . . . . . . 27 ASP N . 19707 1
320 . 1 1 28 28 SER H H 1 7.669 0.003 . . . . . . 28 SER H . 19707 1
321 . 1 1 28 28 SER HA H 1 4.143 0.004 . . . . . . 28 SER HA . 19707 1
322 . 1 1 28 28 SER HB2 H 1 3.999 0.01 . . . . . . 28 SER HB . 19707 1
323 . 1 1 28 28 SER HB3 H 1 3.999 0.01 . . . . . . 28 SER HB . 19707 1
324 . 1 1 28 28 SER C C 13 177.155 0 . . . . . . 28 SER C . 19707 1
325 . 1 1 28 28 SER CA C 13 61.865 0.117 . . . . . . 28 SER CA . 19707 1
326 . 1 1 28 28 SER CB C 13 62.875 0.048 . . . . . . 28 SER CB . 19707 1
327 . 1 1 28 28 SER N N 15 112.497 0.025 . . . . . . 28 SER N . 19707 1
328 . 1 1 29 29 ARG H H 1 7.839 0.004 . . . . . . 29 ARG H . 19707 1
329 . 1 1 29 29 ARG HA H 1 4.097 0.003 . . . . . . 29 ARG HA . 19707 1
330 . 1 1 29 29 ARG HB2 H 1 1.631 0.006 . . . . . . 29 ARG HB2 . 19707 1
331 . 1 1 29 29 ARG HB3 H 1 1.851 0.007 . . . . . . 29 ARG HB3 . 19707 1
332 . 1 1 29 29 ARG HG2 H 1 0.706 0.003 . . . . . . 29 ARG HG2 . 19707 1
333 . 1 1 29 29 ARG HG3 H 1 1.399 0.003 . . . . . . 29 ARG HG3 . 19707 1
334 . 1 1 29 29 ARG HD2 H 1 2.234 0.003 . . . . . . 29 ARG HD2 . 19707 1
335 . 1 1 29 29 ARG HD3 H 1 2.908 0.001 . . . . . . 29 ARG HD3 . 19707 1
336 . 1 1 29 29 ARG HE H 1 6.598 0.008 . . . . . . 29 ARG HE . 19707 1
337 . 1 1 29 29 ARG C C 13 178.652 0 . . . . . . 29 ARG C . 19707 1
338 . 1 1 29 29 ARG CA C 13 57.024 0.072 . . . . . . 29 ARG CA . 19707 1
339 . 1 1 29 29 ARG CB C 13 30.49 0.072 . . . . . . 29 ARG CB . 19707 1
340 . 1 1 29 29 ARG CG C 13 25.716 0.064 . . . . . . 29 ARG CG . 19707 1
341 . 1 1 29 29 ARG CD C 13 42.6 0.025 . . . . . . 29 ARG CD . 19707 1
342 . 1 1 29 29 ARG N N 15 124.045 0.022 . . . . . . 29 ARG N . 19707 1
343 . 1 1 29 29 ARG NE N 15 115.86 0.06 . . . . . . 29 ARG NE . 19707 1
344 . 1 1 30 30 LEU H H 1 8.735 0.004 . . . . . . 30 LEU H . 19707 1
345 . 1 1 30 30 LEU HA H 1 3.819 0.003 . . . . . . 30 LEU HA . 19707 1
346 . 1 1 30 30 LEU HB2 H 1 1.459 0.004 . . . . . . 30 LEU HB2 . 19707 1
347 . 1 1 30 30 LEU HB3 H 1 1.88 0.003 . . . . . . 30 LEU HB3 . 19707 1
348 . 1 1 30 30 LEU HG H 1 1.603 0.004 . . . . . . 30 LEU HG . 19707 1
349 . 1 1 30 30 LEU HD11 H 1 0.685 0.004 . . . . . . 30 LEU HD1 . 19707 1
350 . 1 1 30 30 LEU HD12 H 1 0.685 0.004 . . . . . . 30 LEU HD1 . 19707 1
351 . 1 1 30 30 LEU HD13 H 1 0.685 0.004 . . . . . . 30 LEU HD1 . 19707 1
352 . 1 1 30 30 LEU HD21 H 1 0.683 0.006 . . . . . . 30 LEU HD2 . 19707 1
353 . 1 1 30 30 LEU HD22 H 1 0.683 0.006 . . . . . . 30 LEU HD2 . 19707 1
354 . 1 1 30 30 LEU HD23 H 1 0.683 0.006 . . . . . . 30 LEU HD2 . 19707 1
355 . 1 1 30 30 LEU C C 13 180.224 0 . . . . . . 30 LEU C . 19707 1
356 . 1 1 30 30 LEU CA C 13 58.063 0.023 . . . . . . 30 LEU CA . 19707 1
357 . 1 1 30 30 LEU CB C 13 41.779 0.04 . . . . . . 30 LEU CB . 19707 1
358 . 1 1 30 30 LEU CG C 13 26.951 0 . . . . . . 30 LEU CG . 19707 1
359 . 1 1 30 30 LEU CD1 C 13 25.942 0.017 . . . . . . 30 LEU CD1 . 19707 1
360 . 1 1 30 30 LEU CD2 C 13 22.25 0.068 . . . . . . 30 LEU CD2 . 19707 1
361 . 1 1 30 30 LEU N N 15 121.68 0.022 . . . . . . 30 LEU N . 19707 1
362 . 1 1 31 31 ILE H H 1 8.296 0.002 . . . . . . 31 ILE H . 19707 1
363 . 1 1 31 31 ILE HA H 1 3.761 0.003 . . . . . . 31 ILE HA . 19707 1
364 . 1 1 31 31 ILE HB H 1 1.786 0.004 . . . . . . 31 ILE HB . 19707 1
365 . 1 1 31 31 ILE HG12 H 1 1.077 0.004 . . . . . . 31 ILE HG12 . 19707 1
366 . 1 1 31 31 ILE HG13 H 1 1.555 0.002 . . . . . . 31 ILE HG13 . 19707 1
367 . 1 1 31 31 ILE HG21 H 1 0.855 0.001 . . . . . . 31 ILE HG2 . 19707 1
368 . 1 1 31 31 ILE HG22 H 1 0.855 0.001 . . . . . . 31 ILE HG2 . 19707 1
369 . 1 1 31 31 ILE HG23 H 1 0.855 0.001 . . . . . . 31 ILE HG2 . 19707 1
370 . 1 1 31 31 ILE HD11 H 1 0.76 0.005 . . . . . . 31 ILE HD1 . 19707 1
371 . 1 1 31 31 ILE HD12 H 1 0.76 0.005 . . . . . . 31 ILE HD1 . 19707 1
372 . 1 1 31 31 ILE HD13 H 1 0.76 0.005 . . . . . . 31 ILE HD1 . 19707 1
373 . 1 1 31 31 ILE C C 13 178.091 0 . . . . . . 31 ILE C . 19707 1
374 . 1 1 31 31 ILE CA C 13 64.262 0.047 . . . . . . 31 ILE CA . 19707 1
375 . 1 1 31 31 ILE CB C 13 38.317 0.036 . . . . . . 31 ILE CB . 19707 1
376 . 1 1 31 31 ILE CG1 C 13 29.045 0.018 . . . . . . 31 ILE CG1 . 19707 1
377 . 1 1 31 31 ILE CG2 C 13 17.074 0.026 . . . . . . 31 ILE CG2 . 19707 1
378 . 1 1 31 31 ILE CD1 C 13 13.115 0.054 . . . . . . 31 ILE CD1 . 19707 1
379 . 1 1 31 31 ILE N N 15 119.43 0.019 . . . . . . 31 ILE N . 19707 1
380 . 1 1 32 32 GLY H H 1 7.837 0.005 . . . . . . 32 GLY H . 19707 1
381 . 1 1 32 32 GLY HA2 H 1 3.905 0.005 . . . . . . 32 GLY HA2 . 19707 1
382 . 1 1 32 32 GLY HA3 H 1 4.055 0.005 . . . . . . 32 GLY HA3 . 19707 1
383 . 1 1 32 32 GLY C C 13 175.163 0 . . . . . . 32 GLY C . 19707 1
384 . 1 1 32 32 GLY CA C 13 46.247 0.032 . . . . . . 32 GLY CA . 19707 1
385 . 1 1 32 32 GLY N N 15 106.192 0.016 . . . . . . 32 GLY N . 19707 1
386 . 1 1 33 33 THR H H 1 8.172 0.004 . . . . . . 33 THR H . 19707 1
387 . 1 1 33 33 THR HA H 1 4.525 0.005 . . . . . . 33 THR HA . 19707 1
388 . 1 1 33 33 THR HB H 1 4.223 0.004 . . . . . . 33 THR HB . 19707 1
389 . 1 1 33 33 THR HG21 H 1 1.12 0.004 . . . . . . 33 THR HG2 . 19707 1
390 . 1 1 33 33 THR HG22 H 1 1.12 0.004 . . . . . . 33 THR HG2 . 19707 1
391 . 1 1 33 33 THR HG23 H 1 1.12 0.004 . . . . . . 33 THR HG2 . 19707 1
392 . 1 1 33 33 THR C C 13 175.464 0 . . . . . . 33 THR C . 19707 1
393 . 1 1 33 33 THR CA C 13 62.782 0.094 . . . . . . 33 THR CA . 19707 1
394 . 1 1 33 33 THR CB C 13 71.037 0.028 . . . . . . 33 THR CB . 19707 1
395 . 1 1 33 33 THR CG2 C 13 21.192 0.298 . . . . . . 33 THR CG2 . 19707 1
396 . 1 1 33 33 THR N N 15 111.066 0.016 . . . . . . 33 THR N . 19707 1
397 . 1 1 34 34 GLY H H 1 8.142 0.003 . . . . . . 34 GLY H . 19707 1
398 . 1 1 34 34 GLY HA2 H 1 3.967 0.009 . . . . . . 34 GLY HA2 . 19707 1
399 . 1 1 34 34 GLY HA3 H 1 4.129 0.009 . . . . . . 34 GLY HA3 . 19707 1
400 . 1 1 34 34 GLY C C 13 173.255 0 . . . . . . 34 GLY C . 19707 1
401 . 1 1 34 34 GLY CA C 13 45.333 0.041 . . . . . . 34 GLY CA . 19707 1
402 . 1 1 34 34 GLY N N 15 110.42 0.027 . . . . . . 34 GLY N . 19707 1
403 . 1 1 35 35 SER H H 1 7.789 0.003 . . . . . . 35 SER H . 19707 1
404 . 1 1 35 35 SER HA H 1 4.455 0.005 . . . . . . 35 SER HA . 19707 1
405 . 1 1 35 35 SER HB2 H 1 3.724 0.004 . . . . . . 35 SER HB . 19707 1
406 . 1 1 35 35 SER HB3 H 1 3.724 0.004 . . . . . . 35 SER HB . 19707 1
407 . 1 1 35 35 SER C C 13 172.287 0 . . . . . . 35 SER C . 19707 1
408 . 1 1 35 35 SER CA C 13 57.544 0.06 . . . . . . 35 SER CA . 19707 1
409 . 1 1 35 35 SER CB C 13 64.779 0.024 . . . . . . 35 SER CB . 19707 1
410 . 1 1 35 35 SER N N 15 113.044 0.013 . . . . . . 35 SER N . 19707 1
411 . 1 1 36 36 VAL H H 1 8.56 0.002 . . . . . . 36 VAL H . 19707 1
412 . 1 1 36 36 VAL HA H 1 4.103 0.005 . . . . . . 36 VAL HA . 19707 1
413 . 1 1 36 36 VAL HB H 1 1.895 0.007 . . . . . . 36 VAL HB . 19707 1
414 . 1 1 36 36 VAL HG11 H 1 0.844 0.001 . . . . . . 36 VAL HG1 . 19707 1
415 . 1 1 36 36 VAL HG12 H 1 0.844 0.001 . . . . . . 36 VAL HG1 . 19707 1
416 . 1 1 36 36 VAL HG13 H 1 0.844 0.001 . . . . . . 36 VAL HG1 . 19707 1
417 . 1 1 36 36 VAL HG21 H 1 0.872 0.001 . . . . . . 36 VAL HG2 . 19707 1
418 . 1 1 36 36 VAL HG22 H 1 0.872 0.001 . . . . . . 36 VAL HG2 . 19707 1
419 . 1 1 36 36 VAL HG23 H 1 0.872 0.001 . . . . . . 36 VAL HG2 . 19707 1
420 . 1 1 36 36 VAL C C 13 172.626 0 . . . . . . 36 VAL C . 19707 1
421 . 1 1 36 36 VAL CA C 13 61.315 0.028 . . . . . . 36 VAL CA . 19707 1
422 . 1 1 36 36 VAL CB C 13 33.702 0.03 . . . . . . 36 VAL CB . 19707 1
423 . 1 1 36 36 VAL CG1 C 13 21.762 0.015 . . . . . . 36 VAL CG1 . 19707 1
424 . 1 1 36 36 VAL N N 15 118.666 0.008 . . . . . . 36 VAL N . 19707 1
425 . 1 1 37 37 ASP H H 1 7.265 0.004 . . . . . . 37 ASP H . 19707 1
426 . 1 1 37 37 ASP HA H 1 4.872 0.004 . . . . . . 37 ASP HA . 19707 1
427 . 1 1 37 37 ASP HB2 H 1 2.758 0.004 . . . . . . 37 ASP HB2 . 19707 1
428 . 1 1 37 37 ASP HB3 H 1 3.103 0.003 . . . . . . 37 ASP HB3 . 19707 1
429 . 1 1 37 37 ASP C C 13 175.556 0 . . . . . . 37 ASP C . 19707 1
430 . 1 1 37 37 ASP CA C 13 51.793 0.06 . . . . . . 37 ASP CA . 19707 1
431 . 1 1 37 37 ASP CB C 13 42.956 0.022 . . . . . . 37 ASP CB . 19707 1
432 . 1 1 37 37 ASP N N 15 121.74 0.014 . . . . . . 37 ASP N . 19707 1
433 . 1 1 38 38 GLU H H 1 8.978 0.003 . . . . . . 38 GLU H . 19707 1
434 . 1 1 38 38 GLU HA H 1 3.727 0.003 . . . . . . 38 GLU HA . 19707 1
435 . 1 1 38 38 GLU HB2 H 1 2.09 0.007 . . . . . . 38 GLU HB2 . 19707 1
436 . 1 1 38 38 GLU HB3 H 1 2.177 0.002 . . . . . . 38 GLU HB3 . 19707 1
437 . 1 1 38 38 GLU HG2 H 1 2.475 0 . . . . . . 38 GLU HG2 . 19707 1
438 . 1 1 38 38 GLU HG3 H 1 2.513 0 . . . . . . 38 GLU HG3 . 19707 1
439 . 1 1 38 38 GLU C C 13 177.503 0 . . . . . . 38 GLU C . 19707 1
440 . 1 1 38 38 GLU CA C 13 60.242 0.02 . . . . . . 38 GLU CA . 19707 1
441 . 1 1 38 38 GLU CB C 13 28.829 0.019 . . . . . . 38 GLU CB . 19707 1
442 . 1 1 38 38 GLU CG C 13 35.192 0 . . . . . . 38 GLU CG . 19707 1
443 . 1 1 38 38 GLU N N 15 120.118 0.012 . . . . . . 38 GLU N . 19707 1
444 . 1 1 39 39 ASP H H 1 8.312 0.003 . . . . . . 39 ASP H . 19707 1
445 . 1 1 39 39 ASP HA H 1 4.316 0.004 . . . . . . 39 ASP HA . 19707 1
446 . 1 1 39 39 ASP HB2 H 1 2.675 0.004 . . . . . . 39 ASP HB2 . 19707 1
447 . 1 1 39 39 ASP HB3 H 1 2.758 0.004 . . . . . . 39 ASP HB3 . 19707 1
448 . 1 1 39 39 ASP C C 13 178.143 0 . . . . . . 39 ASP C . 19707 1
449 . 1 1 39 39 ASP CA C 13 57.614 0.029 . . . . . . 39 ASP CA . 19707 1
450 . 1 1 39 39 ASP CB C 13 39.72 0.032 . . . . . . 39 ASP CB . 19707 1
451 . 1 1 39 39 ASP N N 15 118.768 0.051 . . . . . . 39 ASP N . 19707 1
452 . 1 1 40 40 PHE H H 1 8.107 0.003 . . . . . . 40 PHE H . 19707 1
453 . 1 1 40 40 PHE HA H 1 4.274 0.004 . . . . . . 40 PHE HA . 19707 1
454 . 1 1 40 40 PHE HB2 H 1 3.001 0.003 . . . . . . 40 PHE HB2 . 19707 1
455 . 1 1 40 40 PHE HB3 H 1 3.432 0.003 . . . . . . 40 PHE HB3 . 19707 1
456 . 1 1 40 40 PHE HD1 H 1 7.146 0.001 . . . . . . 40 PHE HD . 19707 1
457 . 1 1 40 40 PHE HD2 H 1 7.146 0.001 . . . . . . 40 PHE HD . 19707 1
458 . 1 1 40 40 PHE HE1 H 1 7.146 0.001 . . . . . . 40 PHE HE . 19707 1
459 . 1 1 40 40 PHE HE2 H 1 7.146 0.001 . . . . . . 40 PHE HE . 19707 1
460 . 1 1 40 40 PHE C C 13 177.679 0 . . . . . . 40 PHE C . 19707 1
461 . 1 1 40 40 PHE CA C 13 60.921 0.013 . . . . . . 40 PHE CA . 19707 1
462 . 1 1 40 40 PHE CB C 13 39.583 0.023 . . . . . . 40 PHE CB . 19707 1
463 . 1 1 40 40 PHE N N 15 119.951 0.012 . . . . . . 40 PHE N . 19707 1
464 . 1 1 41 41 LEU H H 1 7.886 0.002 . . . . . . 41 LEU H . 19707 1
465 . 1 1 41 41 LEU HA H 1 3.592 0.004 . . . . . . 41 LEU HA . 19707 1
466 . 1 1 41 41 LEU HB2 H 1 1.402 0.004 . . . . . . 41 LEU HB2 . 19707 1
467 . 1 1 41 41 LEU HB3 H 1 1.647 0.004 . . . . . . 41 LEU HB3 . 19707 1
468 . 1 1 41 41 LEU HG H 1 1.764 0.004 . . . . . . 41 LEU HG . 19707 1
469 . 1 1 41 41 LEU HD11 H 1 0.711 0.001 . . . . . . 41 LEU HD1 . 19707 1
470 . 1 1 41 41 LEU HD12 H 1 0.711 0.001 . . . . . . 41 LEU HD1 . 19707 1
471 . 1 1 41 41 LEU HD13 H 1 0.711 0.001 . . . . . . 41 LEU HD1 . 19707 1
472 . 1 1 41 41 LEU HD21 H 1 0.716 0.004 . . . . . . 41 LEU HD2 . 19707 1
473 . 1 1 41 41 LEU HD22 H 1 0.716 0.004 . . . . . . 41 LEU HD2 . 19707 1
474 . 1 1 41 41 LEU HD23 H 1 0.716 0.004 . . . . . . 41 LEU HD2 . 19707 1
475 . 1 1 41 41 LEU C C 13 178.688 0 . . . . . . 41 LEU C . 19707 1
476 . 1 1 41 41 LEU CA C 13 57.61 0.047 . . . . . . 41 LEU CA . 19707 1
477 . 1 1 41 41 LEU CB C 13 41.981 0.023 . . . . . . 41 LEU CB . 19707 1
478 . 1 1 41 41 LEU CG C 13 26.699 0.158 . . . . . . 41 LEU CG . 19707 1
479 . 1 1 41 41 LEU CD1 C 13 23.922 0.083 . . . . . . 41 LEU CD1 . 19707 1
480 . 1 1 41 41 LEU CD2 C 13 24.974 0.235 . . . . . . 41 LEU CD2 . 19707 1
481 . 1 1 41 41 LEU N N 15 117.982 0.014 . . . . . . 41 LEU N . 19707 1
482 . 1 1 42 42 ARG H H 1 8.61 0.004 . . . . . . 42 ARG H . 19707 1
483 . 1 1 42 42 ARG HA H 1 3.81 0.004 . . . . . . 42 ARG HA . 19707 1
484 . 1 1 42 42 ARG HB2 H 1 1.898 0.001 . . . . . . 42 ARG HB2 . 19707 1
485 . 1 1 42 42 ARG HB3 H 1 1.979 0.002 . . . . . . 42 ARG HB3 . 19707 1
486 . 1 1 42 42 ARG HG2 H 1 1.677 0.001 . . . . . . 42 ARG HG2 . 19707 1
487 . 1 1 42 42 ARG HG3 H 1 1.745 0.002 . . . . . . 42 ARG HG3 . 19707 1
488 . 1 1 42 42 ARG HD2 H 1 3.24 0 . . . . . . 42 ARG HD2 . 19707 1
489 . 1 1 42 42 ARG HD3 H 1 3.283 0.002 . . . . . . 42 ARG HD3 . 19707 1
490 . 1 1 42 42 ARG HE H 1 7.422 0 . . . . . . 42 ARG HE . 19707 1
491 . 1 1 42 42 ARG C C 13 178.185 0 . . . . . . 42 ARG C . 19707 1
492 . 1 1 42 42 ARG CA C 13 59.721 0.063 . . . . . . 42 ARG CA . 19707 1
493 . 1 1 42 42 ARG CB C 13 30.014 0.04 . . . . . . 42 ARG CB . 19707 1
494 . 1 1 42 42 ARG CG C 13 28.128 0.067 . . . . . . 42 ARG CG . 19707 1
495 . 1 1 42 42 ARG CD C 13 43.477 0.001 . . . . . . 42 ARG CD . 19707 1
496 . 1 1 42 42 ARG N N 15 118.46 0.01 . . . . . . 42 ARG N . 19707 1
497 . 1 1 42 42 ARG NE N 15 116.264 0 . . . . . . 42 ARG NE . 19707 1
498 . 1 1 43 43 GLU H H 1 7.293 0.004 . . . . . . 43 GLU H . 19707 1
499 . 1 1 43 43 GLU HA H 1 4.12 0.003 . . . . . . 43 GLU HA . 19707 1
500 . 1 1 43 43 GLU HB2 H 1 2.035 0.003 . . . . . . 43 GLU HB . 19707 1
501 . 1 1 43 43 GLU HB3 H 1 2.035 0.003 . . . . . . 43 GLU HB . 19707 1
502 . 1 1 43 43 GLU HG2 H 1 2.33 0.002 . . . . . . 43 GLU HG2 . 19707 1
503 . 1 1 43 43 GLU HG3 H 1 2.457 0.003 . . . . . . 43 GLU HG3 . 19707 1
504 . 1 1 43 43 GLU C C 13 177.268 0 . . . . . . 43 GLU C . 19707 1
505 . 1 1 43 43 GLU CA C 13 57.321 0.054 . . . . . . 43 GLU CA . 19707 1
506 . 1 1 43 43 GLU CB C 13 28.791 0 . . . . . . 43 GLU CB . 19707 1
507 . 1 1 43 43 GLU CG C 13 34.713 0 . . . . . . 43 GLU CG . 19707 1
508 . 1 1 43 43 GLU N N 15 115.047 0.017 . . . . . . 43 GLU N . 19707 1
509 . 1 1 44 44 GLN H H 1 7.442 0.003 . . . . . . 44 GLN H . 19707 1
510 . 1 1 44 44 GLN HA H 1 4.176 0.008 . . . . . . 44 GLN HA . 19707 1
511 . 1 1 44 44 GLN HB2 H 1 1.435 0.002 . . . . . . 44 GLN HB2 . 19707 1
512 . 1 1 44 44 GLN HB3 H 1 2.117 0.003 . . . . . . 44 GLN HB3 . 19707 1
513 . 1 1 44 44 GLN HG2 H 1 1.437 0.002 . . . . . . 44 GLN HG2 . 19707 1
514 . 1 1 44 44 GLN HG3 H 1 2.04 0.003 . . . . . . 44 GLN HG3 . 19707 1
515 . 1 1 44 44 GLN HE21 H 1 6.375 0 . . . . . . 44 GLN HE21 . 19707 1
516 . 1 1 44 44 GLN HE22 H 1 6.662 0.002 . . . . . . 44 GLN HE22 . 19707 1
517 . 1 1 44 44 GLN C C 13 176.527 0 . . . . . . 44 GLN C . 19707 1
518 . 1 1 44 44 GLN CA C 13 54.931 0.035 . . . . . . 44 GLN CA . 19707 1
519 . 1 1 44 44 GLN CB C 13 28.62 0.059 . . . . . . 44 GLN CB . 19707 1
520 . 1 1 44 44 GLN CG C 13 32.018 0.046 . . . . . . 44 GLN CG . 19707 1
521 . 1 1 44 44 GLN N N 15 114.209 0.016 . . . . . . 44 GLN N . 19707 1
522 . 1 1 44 44 GLN NE2 N 15 113.996 0.001 . . . . . . 44 GLN NE2 . 19707 1
523 . 1 1 45 45 ILE H H 1 7.305 0.004 . . . . . . 45 ILE H . 19707 1
524 . 1 1 45 45 ILE HA H 1 4.018 0.003 . . . . . . 45 ILE HA . 19707 1
525 . 1 1 45 45 ILE HB H 1 1.812 0.004 . . . . . . 45 ILE HB . 19707 1
526 . 1 1 45 45 ILE HG12 H 1 1.182 0.002 . . . . . . 45 ILE HG12 . 19707 1
527 . 1 1 45 45 ILE HG13 H 1 1.379 0.003 . . . . . . 45 ILE HG13 . 19707 1
528 . 1 1 45 45 ILE HG21 H 1 0.82 0.001 . . . . . . 45 ILE HG2 . 19707 1
529 . 1 1 45 45 ILE HG22 H 1 0.82 0.001 . . . . . . 45 ILE HG2 . 19707 1
530 . 1 1 45 45 ILE HG23 H 1 0.82 0.001 . . . . . . 45 ILE HG2 . 19707 1
531 . 1 1 45 45 ILE HD11 H 1 0.621 0.003 . . . . . . 45 ILE HD1 . 19707 1
532 . 1 1 45 45 ILE HD12 H 1 0.621 0.003 . . . . . . 45 ILE HD1 . 19707 1
533 . 1 1 45 45 ILE HD13 H 1 0.621 0.003 . . . . . . 45 ILE HD1 . 19707 1
534 . 1 1 45 45 ILE C C 13 175.055 0 . . . . . . 45 ILE C . 19707 1
535 . 1 1 45 45 ILE CA C 13 61.255 0.064 . . . . . . 45 ILE CA . 19707 1
536 . 1 1 45 45 ILE CB C 13 38.45 0.052 . . . . . . 45 ILE CB . 19707 1
537 . 1 1 45 45 ILE CG1 C 13 27.157 0.023 . . . . . . 45 ILE CG1 . 19707 1
538 . 1 1 45 45 ILE CG2 C 13 17.764 0.023 . . . . . . 45 ILE CG2 . 19707 1
539 . 1 1 45 45 ILE CD1 C 13 13.488 0.031 . . . . . . 45 ILE CD1 . 19707 1
540 . 1 1 45 45 ILE N N 15 117.57 0.012 . . . . . . 45 ILE N . 19707 1
541 . 1 1 46 46 ARG H H 1 8.406 0.002 . . . . . . 46 ARG H . 19707 1
542 . 1 1 46 46 ARG HA H 1 4.26 0.004 . . . . . . 46 ARG HA . 19707 1
543 . 1 1 46 46 ARG HB2 H 1 1.755 0.005 . . . . . . 46 ARG HB2 . 19707 1
544 . 1 1 46 46 ARG HB3 H 1 1.826 0.007 . . . . . . 46 ARG HB3 . 19707 1
545 . 1 1 46 46 ARG HG2 H 1 1.532 0.001 . . . . . . 46 ARG HG . 19707 1
546 . 1 1 46 46 ARG HG3 H 1 1.532 0.001 . . . . . . 46 ARG HG . 19707 1
547 . 1 1 46 46 ARG HD2 H 1 3.12 0.002 . . . . . . 46 ARG HD . 19707 1
548 . 1 1 46 46 ARG HD3 H 1 3.12 0.002 . . . . . . 46 ARG HD . 19707 1
549 . 1 1 46 46 ARG C C 13 175.742 0 . . . . . . 46 ARG C . 19707 1
550 . 1 1 46 46 ARG CA C 13 56.511 0.034 . . . . . . 46 ARG CA . 19707 1
551 . 1 1 46 46 ARG CB C 13 30.702 0.007 . . . . . . 46 ARG CB . 19707 1
552 . 1 1 46 46 ARG CG C 13 26.935 0.012 . . . . . . 46 ARG CG . 19707 1
553 . 1 1 46 46 ARG CD C 13 43.39 0 . . . . . . 46 ARG CD . 19707 1
554 . 1 1 46 46 ARG N N 15 123.096 0.04 . . . . . . 46 ARG N . 19707 1
555 . 1 1 47 47 ASP H H 1 8.383 0.003 . . . . . . 47 ASP H . 19707 1
556 . 1 1 47 47 ASP HA H 1 4.518 0.005 . . . . . . 47 ASP HA . 19707 1
557 . 1 1 47 47 ASP HB2 H 1 2.712 0.011 . . . . . . 47 ASP HB . 19707 1
558 . 1 1 47 47 ASP HB3 H 1 2.712 0.011 . . . . . . 47 ASP HB . 19707 1
559 . 1 1 47 47 ASP C C 13 175.27 0 . . . . . . 47 ASP C . 19707 1
560 . 1 1 47 47 ASP CA C 13 54.64 0.028 . . . . . . 47 ASP CA . 19707 1
561 . 1 1 47 47 ASP CB C 13 40.407 0.014 . . . . . . 47 ASP CB . 19707 1
562 . 1 1 47 47 ASP N N 15 118.776 0.015 . . . . . . 47 ASP N . 19707 1
563 . 1 1 48 48 ALA H H 1 7.894 0.002 . . . . . . 48 ALA H . 19707 1
564 . 1 1 48 48 ALA HA H 1 4.439 0.003 . . . . . . 48 ALA HA . 19707 1
565 . 1 1 48 48 ALA HB1 H 1 1.327 0.004 . . . . . . 48 ALA HB . 19707 1
566 . 1 1 48 48 ALA HB2 H 1 1.327 0.004 . . . . . . 48 ALA HB . 19707 1
567 . 1 1 48 48 ALA HB3 H 1 1.327 0.004 . . . . . . 48 ALA HB . 19707 1
568 . 1 1 48 48 ALA C C 13 177.045 0 . . . . . . 48 ALA C . 19707 1
569 . 1 1 48 48 ALA CA C 13 52.387 0.252 . . . . . . 48 ALA CA . 19707 1
570 . 1 1 48 48 ALA CB C 13 18.964 0.014 . . . . . . 48 ALA CB . 19707 1
571 . 1 1 48 48 ALA N N 15 121.022 0.013 . . . . . . 48 ALA N . 19707 1
572 . 1 1 49 49 ARG H H 1 7.981 0.005 . . . . . . 49 ARG H . 19707 1
573 . 1 1 49 49 ARG HA H 1 4.412 0.008 . . . . . . 49 ARG HA . 19707 1
574 . 1 1 49 49 ARG HB2 H 1 1.947 0.005 . . . . . . 49 ARG HB2 . 19707 1
575 . 1 1 49 49 ARG HB3 H 1 2.068 0.003 . . . . . . 49 ARG HB3 . 19707 1
576 . 1 1 49 49 ARG HG2 H 1 1.747 0 . . . . . . 49 ARG HG2 . 19707 1
577 . 1 1 49 49 ARG HG3 H 1 1.822 0 . . . . . . 49 ARG HG3 . 19707 1
578 . 1 1 49 49 ARG HD2 H 1 3.238 0 . . . . . . 49 ARG HD . 19707 1
579 . 1 1 49 49 ARG HD3 H 1 3.238 0 . . . . . . 49 ARG HD . 19707 1
580 . 1 1 49 49 ARG C C 13 175.254 0 . . . . . . 49 ARG C . 19707 1
581 . 1 1 49 49 ARG CA C 13 56.659 0.187 . . . . . . 49 ARG CA . 19707 1
582 . 1 1 49 49 ARG CB C 13 31.093 0.017 . . . . . . 49 ARG CB . 19707 1
583 . 1 1 49 49 ARG CG C 13 27.536 0.138 . . . . . . 49 ARG CG . 19707 1
584 . 1 1 49 49 ARG CD C 13 42.71 0.046 . . . . . . 49 ARG CD . 19707 1
585 . 1 1 49 49 ARG N N 15 118.744 0.077 . . . . . . 49 ARG N . 19707 1
586 . 1 1 50 50 TYR H H 1 7.709 0.004 . . . . . . 50 TYR H . 19707 1
587 . 1 1 50 50 TYR HA H 1 5.361 0.005 . . . . . . 50 TYR HA . 19707 1
588 . 1 1 50 50 TYR HB2 H 1 2.508 0.003 . . . . . . 50 TYR HB2 . 19707 1
589 . 1 1 50 50 TYR HB3 H 1 3.205 0.004 . . . . . . 50 TYR HB3 . 19707 1
590 . 1 1 50 50 TYR HD1 H 1 6.73 0 . . . . . . 50 TYR HD . 19707 1
591 . 1 1 50 50 TYR HD2 H 1 6.73 0 . . . . . . 50 TYR HD . 19707 1
592 . 1 1 50 50 TYR HE1 H 1 6.73 0 . . . . . . 50 TYR HE . 19707 1
593 . 1 1 50 50 TYR HE2 H 1 6.73 0 . . . . . . 50 TYR HE . 19707 1
594 . 1 1 50 50 TYR C C 13 173.22 0 . . . . . . 50 TYR C . 19707 1
595 . 1 1 50 50 TYR CA C 13 56.018 0.069 . . . . . . 50 TYR CA . 19707 1
596 . 1 1 50 50 TYR CB C 13 42.263 0.05 . . . . . . 50 TYR CB . 19707 1
597 . 1 1 50 50 TYR N N 15 119.57 0.011 . . . . . . 50 TYR N . 19707 1
598 . 1 1 51 51 ALA H H 1 8.292 0.005 . . . . . . 51 ALA H . 19707 1
599 . 1 1 51 51 ALA HA H 1 5.291 0.004 . . . . . . 51 ALA HA . 19707 1
600 . 1 1 51 51 ALA HB1 H 1 0.978 0.002 . . . . . . 51 ALA HB . 19707 1
601 . 1 1 51 51 ALA HB2 H 1 0.978 0.002 . . . . . . 51 ALA HB . 19707 1
602 . 1 1 51 51 ALA HB3 H 1 0.978 0.002 . . . . . . 51 ALA HB . 19707 1
603 . 1 1 51 51 ALA C C 13 174.078 0 . . . . . . 51 ALA C . 19707 1
604 . 1 1 51 51 ALA CA C 13 50.183 0.022 . . . . . . 51 ALA CA . 19707 1
605 . 1 1 51 51 ALA CB C 13 23.062 0.027 . . . . . . 51 ALA CB . 19707 1
606 . 1 1 51 51 ALA N N 15 127.518 0.01 . . . . . . 51 ALA N . 19707 1
607 . 1 1 52 52 VAL H H 1 8.823 0.004 . . . . . . 52 VAL H . 19707 1
608 . 1 1 52 52 VAL HA H 1 4.737 0.008 . . . . . . 52 VAL HA . 19707 1
609 . 1 1 52 52 VAL HB H 1 1.84 0.005 . . . . . . 52 VAL HB . 19707 1
610 . 1 1 52 52 VAL HG11 H 1 0.702 0.006 . . . . . . 52 VAL HG1 . 19707 1
611 . 1 1 52 52 VAL HG12 H 1 0.702 0.006 . . . . . . 52 VAL HG1 . 19707 1
612 . 1 1 52 52 VAL HG13 H 1 0.702 0.006 . . . . . . 52 VAL HG1 . 19707 1
613 . 1 1 52 52 VAL HG21 H 1 0.834 0.002 . . . . . . 52 VAL HG2 . 19707 1
614 . 1 1 52 52 VAL HG22 H 1 0.834 0.002 . . . . . . 52 VAL HG2 . 19707 1
615 . 1 1 52 52 VAL HG23 H 1 0.834 0.002 . . . . . . 52 VAL HG2 . 19707 1
616 . 1 1 52 52 VAL C C 13 175.186 0 . . . . . . 52 VAL C . 19707 1
617 . 1 1 52 52 VAL CA C 13 60.507 0.074 . . . . . . 52 VAL CA . 19707 1
618 . 1 1 52 52 VAL CB C 13 34.853 0.035 . . . . . . 52 VAL CB . 19707 1
619 . 1 1 52 52 VAL CG1 C 13 21.801 0.075 . . . . . . 52 VAL CG1 . 19707 1
620 . 1 1 52 52 VAL CG2 C 13 21.524 0.106 . . . . . . 52 VAL CG2 . 19707 1
621 . 1 1 52 52 VAL N N 15 117.932 0.012 . . . . . . 52 VAL N . 19707 1
622 . 1 1 53 53 ILE H H 1 9.331 0.004 . . . . . . 53 ILE H . 19707 1
623 . 1 1 53 53 ILE HA H 1 4.912 0.004 . . . . . . 53 ILE HA . 19707 1
624 . 1 1 53 53 ILE HB H 1 1.841 0.003 . . . . . . 53 ILE HB . 19707 1
625 . 1 1 53 53 ILE HG12 H 1 1.215 0.005 . . . . . . 53 ILE HG12 . 19707 1
626 . 1 1 53 53 ILE HG13 H 1 1.376 0.027 . . . . . . 53 ILE HG13 . 19707 1
627 . 1 1 53 53 ILE HG21 H 1 0.79 0.003 . . . . . . 53 ILE HG2 . 19707 1
628 . 1 1 53 53 ILE HG22 H 1 0.79 0.003 . . . . . . 53 ILE HG2 . 19707 1
629 . 1 1 53 53 ILE HG23 H 1 0.79 0.003 . . . . . . 53 ILE HG2 . 19707 1
630 . 1 1 53 53 ILE HD11 H 1 0.745 0.003 . . . . . . 53 ILE HD1 . 19707 1
631 . 1 1 53 53 ILE HD12 H 1 0.745 0.003 . . . . . . 53 ILE HD1 . 19707 1
632 . 1 1 53 53 ILE HD13 H 1 0.745 0.003 . . . . . . 53 ILE HD1 . 19707 1
633 . 1 1 53 53 ILE C C 13 174.86 0 . . . . . . 53 ILE C . 19707 1
634 . 1 1 53 53 ILE CA C 13 59.503 0.036 . . . . . . 53 ILE CA . 19707 1
635 . 1 1 53 53 ILE CB C 13 39.909 0.023 . . . . . . 53 ILE CB . 19707 1
636 . 1 1 53 53 ILE CG1 C 13 28.861 0.024 . . . . . . 53 ILE CG1 . 19707 1
637 . 1 1 53 53 ILE CG2 C 13 18.619 0.029 . . . . . . 53 ILE CG2 . 19707 1
638 . 1 1 53 53 ILE CD1 C 13 14.695 0.057 . . . . . . 53 ILE CD1 . 19707 1
639 . 1 1 53 53 ILE N N 15 128.127 0.019 . . . . . . 53 ILE N . 19707 1
640 . 1 1 54 54 ARG H H 1 8.756 0.004 . . . . . . 54 ARG H . 19707 1
641 . 1 1 54 54 ARG HA H 1 4.823 0.01 . . . . . . 54 ARG HA . 19707 1
642 . 1 1 54 54 ARG HB2 H 1 1.758 0.001 . . . . . . 54 ARG HB . 19707 1
643 . 1 1 54 54 ARG HB3 H 1 1.758 0.001 . . . . . . 54 ARG HB . 19707 1
644 . 1 1 54 54 ARG HG2 H 1 1.412 0 . . . . . . 54 ARG HG2 . 19707 1
645 . 1 1 54 54 ARG HG3 H 1 1.516 0 . . . . . . 54 ARG HG3 . 19707 1
646 . 1 1 54 54 ARG HD2 H 1 3.062 0 . . . . . . 54 ARG HD2 . 19707 1
647 . 1 1 54 54 ARG HD3 H 1 3.137 0 . . . . . . 54 ARG HD3 . 19707 1
648 . 1 1 54 54 ARG C C 13 175.035 0 . . . . . . 54 ARG C . 19707 1
649 . 1 1 54 54 ARG CA C 13 55.01 0.041 . . . . . . 54 ARG CA . 19707 1
650 . 1 1 54 54 ARG CB C 13 30.642 0.014 . . . . . . 54 ARG CB . 19707 1
651 . 1 1 54 54 ARG CD C 13 43.5 0 . . . . . . 54 ARG CD . 19707 1
652 . 1 1 54 54 ARG N N 15 127.985 0.025 . . . . . . 54 ARG N . 19707 1
653 . 1 1 55 55 ILE H H 1 9.362 0.004 . . . . . . 55 ILE H . 19707 1
654 . 1 1 55 55 ILE HA H 1 4.223 0.007 . . . . . . 55 ILE HA . 19707 1
655 . 1 1 55 55 ILE HB H 1 1.603 0.003 . . . . . . 55 ILE HB . 19707 1
656 . 1 1 55 55 ILE HG12 H 1 0.707 0.004 . . . . . . 55 ILE HG12 . 19707 1
657 . 1 1 55 55 ILE HG13 H 1 1.454 0.003 . . . . . . 55 ILE HG13 . 19707 1
658 . 1 1 55 55 ILE HG21 H 1 0.871 0.001 . . . . . . 55 ILE HG2 . 19707 1
659 . 1 1 55 55 ILE HG22 H 1 0.871 0.001 . . . . . . 55 ILE HG2 . 19707 1
660 . 1 1 55 55 ILE HG23 H 1 0.871 0.001 . . . . . . 55 ILE HG2 . 19707 1
661 . 1 1 55 55 ILE HD11 H 1 0.796 0.004 . . . . . . 55 ILE HD1 . 19707 1
662 . 1 1 55 55 ILE HD12 H 1 0.796 0.004 . . . . . . 55 ILE HD1 . 19707 1
663 . 1 1 55 55 ILE HD13 H 1 0.796 0.004 . . . . . . 55 ILE HD1 . 19707 1
664 . 1 1 55 55 ILE CA C 13 58.345 0.106 . . . . . . 55 ILE CA . 19707 1
665 . 1 1 55 55 ILE CB C 13 40.363 0.109 . . . . . . 55 ILE CB . 19707 1
666 . 1 1 55 55 ILE CG1 C 13 29.108 0.084 . . . . . . 55 ILE CG1 . 19707 1
667 . 1 1 55 55 ILE CG2 C 13 17.363 0.021 . . . . . . 55 ILE CG2 . 19707 1
668 . 1 1 55 55 ILE CD1 C 13 14.406 0.044 . . . . . . 55 ILE CD1 . 19707 1
669 . 1 1 55 55 ILE N N 15 130.007 0.032 . . . . . . 55 ILE N . 19707 1
670 . 1 1 56 56 PRO HA H 1 4.262 0.003 . . . . . . 56 PRO HA . 19707 1
671 . 1 1 56 56 PRO HB2 H 1 1.93 0.01 . . . . . . 56 PRO HB2 . 19707 1
672 . 1 1 56 56 PRO HB3 H 1 2.288 0.003 . . . . . . 56 PRO HB3 . 19707 1
673 . 1 1 56 56 PRO HG2 H 1 1.944 0.003 . . . . . . 56 PRO HG2 . 19707 1
674 . 1 1 56 56 PRO HG3 H 1 2.158 0.003 . . . . . . 56 PRO HG3 . 19707 1
675 . 1 1 56 56 PRO HD2 H 1 3.606 0.003 . . . . . . 56 PRO HD2 . 19707 1
676 . 1 1 56 56 PRO HD3 H 1 3.699 0 . . . . . . 56 PRO HD3 . 19707 1
677 . 1 1 56 56 PRO C C 13 177.537 0 . . . . . . 56 PRO C . 19707 1
678 . 1 1 56 56 PRO CA C 13 64.484 0.065 . . . . . . 56 PRO CA . 19707 1
679 . 1 1 56 56 PRO CB C 13 31.663 0.068 . . . . . . 56 PRO CB . 19707 1
680 . 1 1 56 56 PRO CG C 13 27.704 0.027 . . . . . . 56 PRO CG . 19707 1
681 . 1 1 56 56 PRO CD C 13 51.002 0.02 . . . . . . 56 PRO CD . 19707 1
682 . 1 1 57 57 GLY H H 1 8.778 0.002 . . . . . . 57 GLY H . 19707 1
683 . 1 1 57 57 GLY HA2 H 1 3.7 0.004 . . . . . . 57 GLY HA2 . 19707 1
684 . 1 1 57 57 GLY HA3 H 1 4.184 0.004 . . . . . . 57 GLY HA3 . 19707 1
685 . 1 1 57 57 GLY C C 13 173.789 0 . . . . . . 57 GLY C . 19707 1
686 . 1 1 57 57 GLY CA C 13 45.567 0.017 . . . . . . 57 GLY CA . 19707 1
687 . 1 1 57 57 GLY N N 15 111.928 0.033 . . . . . . 57 GLY N . 19707 1
688 . 1 1 58 58 GLN H H 1 7.979 0 . . . . . . 58 GLN H . 19707 1
689 . 1 1 58 58 GLN HA H 1 4.97 0.003 . . . . . . 58 GLN HA . 19707 1
690 . 1 1 58 58 GLN HB2 H 1 1.76 0.001 . . . . . . 58 GLN HB2 . 19707 1
691 . 1 1 58 58 GLN HB3 H 1 2.266 0.004 . . . . . . 58 GLN HB3 . 19707 1
692 . 1 1 58 58 GLN HG2 H 1 2.235 0.001 . . . . . . 58 GLN HG . 19707 1
693 . 1 1 58 58 GLN HG3 H 1 2.235 0.001 . . . . . . 58 GLN HG . 19707 1
694 . 1 1 58 58 GLN HE21 H 1 6.785 0.002 . . . . . . 58 GLN HE21 . 19707 1
695 . 1 1 58 58 GLN HE22 H 1 7.533 0.002 . . . . . . 58 GLN HE22 . 19707 1
696 . 1 1 58 58 GLN CA C 13 53.022 0.02 . . . . . . 58 GLN CA . 19707 1
697 . 1 1 58 58 GLN CB C 13 29.904 0.033 . . . . . . 58 GLN CB . 19707 1
698 . 1 1 58 58 GLN CG C 13 33.243 0.027 . . . . . . 58 GLN CG . 19707 1
699 . 1 1 58 58 GLN N N 15 118.557 0.105 . . . . . . 58 GLN N . 19707 1
700 . 1 1 58 58 GLN NE2 N 15 111.738 0 . . . . . . 58 GLN NE2 . 19707 1
701 . 1 1 59 59 PRO HA H 1 4.506 0.005 . . . . . . 59 PRO HA . 19707 1
702 . 1 1 59 59 PRO HB2 H 1 1.874 0.006 . . . . . . 59 PRO HB2 . 19707 1
703 . 1 1 59 59 PRO HB3 H 1 2.395 0.003 . . . . . . 59 PRO HB3 . 19707 1
704 . 1 1 59 59 PRO HG2 H 1 1.974 0 . . . . . . 59 PRO HG2 . 19707 1
705 . 1 1 59 59 PRO HG3 H 1 2.133 0.004 . . . . . . 59 PRO HG3 . 19707 1
706 . 1 1 59 59 PRO HD2 H 1 3.711 0 . . . . . . 59 PRO HD2 . 19707 1
707 . 1 1 59 59 PRO HD3 H 1 3.819 0 . . . . . . 59 PRO HD3 . 19707 1
708 . 1 1 59 59 PRO C C 13 177.357 0 . . . . . . 59 PRO C . 19707 1
709 . 1 1 59 59 PRO CA C 13 62.805 0.044 . . . . . . 59 PRO CA . 19707 1
710 . 1 1 59 59 PRO CB C 13 31.927 0.078 . . . . . . 59 PRO CB . 19707 1
711 . 1 1 59 59 PRO CG C 13 27.831 0.056 . . . . . . 59 PRO CG . 19707 1
712 . 1 1 59 59 PRO CD C 13 50.79 0.041 . . . . . . 59 PRO CD . 19707 1
713 . 1 1 60 60 VAL H H 1 8.434 0.003 . . . . . . 60 VAL H . 19707 1
714 . 1 1 60 60 VAL HA H 1 4.025 0.004 . . . . . . 60 VAL HA . 19707 1
715 . 1 1 60 60 VAL HB H 1 1.965 0.003 . . . . . . 60 VAL HB . 19707 1
716 . 1 1 60 60 VAL HG11 H 1 0.885 0.002 . . . . . . 60 VAL HG1 . 19707 1
717 . 1 1 60 60 VAL HG12 H 1 0.885 0.002 . . . . . . 60 VAL HG1 . 19707 1
718 . 1 1 60 60 VAL HG13 H 1 0.885 0.002 . . . . . . 60 VAL HG1 . 19707 1
719 . 1 1 60 60 VAL HG21 H 1 0.984 0.003 . . . . . . 60 VAL HG2 . 19707 1
720 . 1 1 60 60 VAL HG22 H 1 0.984 0.003 . . . . . . 60 VAL HG2 . 19707 1
721 . 1 1 60 60 VAL HG23 H 1 0.984 0.003 . . . . . . 60 VAL HG2 . 19707 1
722 . 1 1 60 60 VAL C C 13 175.153 0 . . . . . . 60 VAL C . 19707 1
723 . 1 1 60 60 VAL CA C 13 63.645 0.034 . . . . . . 60 VAL CA . 19707 1
724 . 1 1 60 60 VAL CB C 13 32.392 0.064 . . . . . . 60 VAL CB . 19707 1
725 . 1 1 60 60 VAL CG1 C 13 21.288 0.024 . . . . . . 60 VAL CG1 . 19707 1
726 . 1 1 60 60 VAL CG2 C 13 22.165 0.068 . . . . . . 60 VAL CG2 . 19707 1
727 . 1 1 60 60 VAL N N 15 122.795 0.016 . . . . . . 60 VAL N . 19707 1
728 . 1 1 61 61 VAL H H 1 8.093 0.003 . . . . . . 61 VAL H . 19707 1
729 . 1 1 61 61 VAL HA H 1 4.37 0.003 . . . . . . 61 VAL HA . 19707 1
730 . 1 1 61 61 VAL HB H 1 1.893 0.004 . . . . . . 61 VAL HB . 19707 1
731 . 1 1 61 61 VAL HG11 H 1 0.952 0.007 . . . . . . 61 VAL HG1 . 19707 1
732 . 1 1 61 61 VAL HG12 H 1 0.952 0.007 . . . . . . 61 VAL HG1 . 19707 1
733 . 1 1 61 61 VAL HG13 H 1 0.952 0.007 . . . . . . 61 VAL HG1 . 19707 1
734 . 1 1 61 61 VAL HG21 H 1 0.774 0.002 . . . . . . 61 VAL HG2 . 19707 1
735 . 1 1 61 61 VAL HG22 H 1 0.774 0.002 . . . . . . 61 VAL HG2 . 19707 1
736 . 1 1 61 61 VAL HG23 H 1 0.774 0.002 . . . . . . 61 VAL HG2 . 19707 1
737 . 1 1 61 61 VAL C C 13 173.641 0 . . . . . . 61 VAL C . 19707 1
738 . 1 1 61 61 VAL CA C 13 61.564 0.064 . . . . . . 61 VAL CA . 19707 1
739 . 1 1 61 61 VAL CB C 13 33.948 0.071 . . . . . . 61 VAL CB . 19707 1
740 . 1 1 61 61 VAL CG1 C 13 21.108 0.101 . . . . . . 61 VAL CG1 . 19707 1
741 . 1 1 61 61 VAL N N 15 126.197 0.02 . . . . . . 61 VAL N . 19707 1
742 . 1 1 62 62 GLU H H 1 8.661 0.001 . . . . . . 62 GLU H . 19707 1
743 . 1 1 62 62 GLU HA H 1 5.229 0.004 . . . . . . 62 GLU HA . 19707 1
744 . 1 1 62 62 GLU HB2 H 1 1.913 0.006 . . . . . . 62 GLU HB2 . 19707 1
745 . 1 1 62 62 GLU HB3 H 1 2.033 0.003 . . . . . . 62 GLU HB3 . 19707 1
746 . 1 1 62 62 GLU HG2 H 1 2.217 0.005 . . . . . . 62 GLU HG . 19707 1
747 . 1 1 62 62 GLU HG3 H 1 2.217 0.005 . . . . . . 62 GLU HG . 19707 1
748 . 1 1 62 62 GLU C C 13 175.002 0 . . . . . . 62 GLU C . 19707 1
749 . 1 1 62 62 GLU CA C 13 54.29 0.045 . . . . . . 62 GLU CA . 19707 1
750 . 1 1 62 62 GLU CB C 13 33.05 0.078 . . . . . . 62 GLU CB . 19707 1
751 . 1 1 62 62 GLU CG C 13 36.119 0.065 . . . . . . 62 GLU CG . 19707 1
752 . 1 1 62 62 GLU N N 15 126.197 0.023 . . . . . . 62 GLU N . 19707 1
753 . 1 1 63 63 VAL H H 1 8.802 0.004 . . . . . . 63 VAL H . 19707 1
754 . 1 1 63 63 VAL HA H 1 4.463 0.005 . . . . . . 63 VAL HA . 19707 1
755 . 1 1 63 63 VAL HB H 1 1.859 0.003 . . . . . . 63 VAL HB . 19707 1
756 . 1 1 63 63 VAL HG11 H 1 0.77 0.005 . . . . . . 63 VAL HG1 . 19707 1
757 . 1 1 63 63 VAL HG12 H 1 0.77 0.005 . . . . . . 63 VAL HG1 . 19707 1
758 . 1 1 63 63 VAL HG13 H 1 0.77 0.005 . . . . . . 63 VAL HG1 . 19707 1
759 . 1 1 63 63 VAL HG21 H 1 0.863 0 . . . . . . 63 VAL HG2 . 19707 1
760 . 1 1 63 63 VAL HG22 H 1 0.863 0 . . . . . . 63 VAL HG2 . 19707 1
761 . 1 1 63 63 VAL HG23 H 1 0.863 0 . . . . . . 63 VAL HG2 . 19707 1
762 . 1 1 63 63 VAL C C 13 173.79 0 . . . . . . 63 VAL C . 19707 1
763 . 1 1 63 63 VAL CA C 13 60.583 0.035 . . . . . . 63 VAL CA . 19707 1
764 . 1 1 63 63 VAL CB C 13 35.327 0.012 . . . . . . 63 VAL CB . 19707 1
765 . 1 1 63 63 VAL CG1 C 13 21.008 0.032 . . . . . . 63 VAL CG1 . 19707 1
766 . 1 1 63 63 VAL CG2 C 13 22.086 0 . . . . . . 63 VAL CG2 . 19707 1
767 . 1 1 63 63 VAL N N 15 120.474 0.014 . . . . . . 63 VAL N . 19707 1
768 . 1 1 64 64 GLY H H 1 8.329 0.003 . . . . . . 64 GLY H . 19707 1
769 . 1 1 64 64 GLY HA2 H 1 3.805 0.006 . . . . . . 64 GLY HA2 . 19707 1
770 . 1 1 64 64 GLY HA3 H 1 4.854 0.005 . . . . . . 64 GLY HA3 . 19707 1
771 . 1 1 64 64 GLY C C 13 174.406 0 . . . . . . 64 GLY C . 19707 1
772 . 1 1 64 64 GLY CA C 13 43.927 0.009 . . . . . . 64 GLY CA . 19707 1
773 . 1 1 64 64 GLY N N 15 110.035 0.019 . . . . . . 64 GLY N . 19707 1
774 . 1 1 65 65 THR H H 1 8.193 0.002 . . . . . . 65 THR H . 19707 1
775 . 1 1 65 65 THR HA H 1 4.412 0.004 . . . . . . 65 THR HA . 19707 1
776 . 1 1 65 65 THR HB H 1 3.837 0.003 . . . . . . 65 THR HB . 19707 1
777 . 1 1 65 65 THR HG21 H 1 1.098 0.007 . . . . . . 65 THR HG2 . 19707 1
778 . 1 1 65 65 THR HG22 H 1 1.098 0.007 . . . . . . 65 THR HG2 . 19707 1
779 . 1 1 65 65 THR HG23 H 1 1.098 0.007 . . . . . . 65 THR HG2 . 19707 1
780 . 1 1 65 65 THR C C 13 173.413 0 . . . . . . 65 THR C . 19707 1
781 . 1 1 65 65 THR CA C 13 61.107 0.02 . . . . . . 65 THR CA . 19707 1
782 . 1 1 65 65 THR CB C 13 70.673 0.016 . . . . . . 65 THR CB . 19707 1
783 . 1 1 65 65 THR CG2 C 13 21.539 0.02 . . . . . . 65 THR CG2 . 19707 1
784 . 1 1 65 65 THR N N 15 115.578 0.01 . . . . . . 65 THR N . 19707 1
785 . 1 1 66 66 LYS H H 1 8.542 0.001 . . . . . . 66 LYS H . 19707 1
786 . 1 1 66 66 LYS HA H 1 3 0.003 . . . . . . 66 LYS HA . 19707 1
787 . 1 1 66 66 LYS HB2 H 1 0.999 0.003 . . . . . . 66 LYS HB2 . 19707 1
788 . 1 1 66 66 LYS HB3 H 1 1.337 0.008 . . . . . . 66 LYS HB3 . 19707 1
789 . 1 1 66 66 LYS HG2 H 1 0.684 0.005 . . . . . . 66 LYS HG2 . 19707 1
790 . 1 1 66 66 LYS HG3 H 1 0.948 0.005 . . . . . . 66 LYS HG3 . 19707 1
791 . 1 1 66 66 LYS HD2 H 1 1.407 0.004 . . . . . . 66 LYS HD . 19707 1
792 . 1 1 66 66 LYS HD3 H 1 1.407 0.004 . . . . . . 66 LYS HD . 19707 1
793 . 1 1 66 66 LYS HE2 H 1 2.832 0.002 . . . . . . 66 LYS HE . 19707 1
794 . 1 1 66 66 LYS HE3 H 1 2.832 0.002 . . . . . . 66 LYS HE . 19707 1
795 . 1 1 66 66 LYS CA C 13 54.94 0.054 . . . . . . 66 LYS CA . 19707 1
796 . 1 1 66 66 LYS CB C 13 32.44 0.039 . . . . . . 66 LYS CB . 19707 1
797 . 1 1 66 66 LYS CG C 13 23.983 0.04 . . . . . . 66 LYS CG . 19707 1
798 . 1 1 66 66 LYS CD C 13 29.4 0.02 . . . . . . 66 LYS CD . 19707 1
799 . 1 1 66 66 LYS CE C 13 41.969 0.031 . . . . . . 66 LYS CE . 19707 1
800 . 1 1 66 66 LYS N N 15 130.875 0.033 . . . . . . 66 LYS N . 19707 1
801 . 1 1 67 67 PRO HA H 1 4.481 0.004 . . . . . . 67 PRO HA . 19707 1
802 . 1 1 67 67 PRO HB2 H 1 1.713 0.006 . . . . . . 67 PRO HB2 . 19707 1
803 . 1 1 67 67 PRO HB3 H 1 2.189 0.004 . . . . . . 67 PRO HB3 . 19707 1
804 . 1 1 67 67 PRO HG2 H 1 1.674 0.002 . . . . . . 67 PRO HG2 . 19707 1
805 . 1 1 67 67 PRO HG3 H 1 1.709 0.004 . . . . . . 67 PRO HG3 . 19707 1
806 . 1 1 67 67 PRO HD2 H 1 3.258 0.003 . . . . . . 67 PRO HD2 . 19707 1
807 . 1 1 67 67 PRO HD3 H 1 3.707 0.005 . . . . . . 67 PRO HD3 . 19707 1
808 . 1 1 67 67 PRO C C 13 175.961 0 . . . . . . 67 PRO C . 19707 1
809 . 1 1 67 67 PRO CA C 13 62.316 0.033 . . . . . . 67 PRO CA . 19707 1
810 . 1 1 67 67 PRO CB C 13 32.153 0.022 . . . . . . 67 PRO CB . 19707 1
811 . 1 1 67 67 PRO CG C 13 27.144 0.028 . . . . . . 67 PRO CG . 19707 1
812 . 1 1 67 67 PRO CD C 13 50.504 0.07 . . . . . . 67 PRO CD . 19707 1
813 . 1 1 68 68 THR H H 1 8.161 0.002 . . . . . . 68 THR H . 19707 1
814 . 1 1 68 68 THR HA H 1 4.347 0.004 . . . . . . 68 THR HA . 19707 1
815 . 1 1 68 68 THR HB H 1 4.212 0.006 . . . . . . 68 THR HB . 19707 1
816 . 1 1 68 68 THR HG21 H 1 1.111 0.006 . . . . . . 68 THR HG2 . 19707 1
817 . 1 1 68 68 THR HG22 H 1 1.111 0.006 . . . . . . 68 THR HG2 . 19707 1
818 . 1 1 68 68 THR HG23 H 1 1.111 0.006 . . . . . . 68 THR HG2 . 19707 1
819 . 1 1 68 68 THR C C 13 174.47 0 . . . . . . 68 THR C . 19707 1
820 . 1 1 68 68 THR CA C 13 60.943 0.016 . . . . . . 68 THR CA . 19707 1
821 . 1 1 68 68 THR CB C 13 70.473 0.105 . . . . . . 68 THR CB . 19707 1
822 . 1 1 68 68 THR CG2 C 13 21.541 0.031 . . . . . . 68 THR CG2 . 19707 1
823 . 1 1 68 68 THR N N 15 112.083 0.016 . . . . . . 68 THR N . 19707 1
824 . 1 1 69 69 GLY H H 1 8.189 0.002 . . . . . . 69 GLY H . 19707 1
825 . 1 1 69 69 GLY HA2 H 1 3.872 0.002 . . . . . . 69 GLY HA2 . 19707 1
826 . 1 1 69 69 GLY HA3 H 1 3.948 0.003 . . . . . . 69 GLY HA3 . 19707 1
827 . 1 1 69 69 GLY C C 13 173.533 0 . . . . . . 69 GLY C . 19707 1
828 . 1 1 69 69 GLY CA C 13 44.806 0.009 . . . . . . 69 GLY CA . 19707 1
829 . 1 1 69 69 GLY N N 15 110.018 0.023 . . . . . . 69 GLY N . 19707 1
830 . 1 1 70 70 ASP H H 1 8.514 0 . . . . . . 70 ASP H . 19707 1
831 . 1 1 70 70 ASP HA H 1 4.619 0.005 . . . . . . 70 ASP HA . 19707 1
832 . 1 1 70 70 ASP HB2 H 1 2.58 0.003 . . . . . . 70 ASP HB2 . 19707 1
833 . 1 1 70 70 ASP HB3 H 1 2.667 0.002 . . . . . . 70 ASP HB3 . 19707 1
834 . 1 1 70 70 ASP C C 13 176.401 0 . . . . . . 70 ASP C . 19707 1
835 . 1 1 70 70 ASP CA C 13 54.611 0.036 . . . . . . 70 ASP CA . 19707 1
836 . 1 1 70 70 ASP CB C 13 40.483 0.028 . . . . . . 70 ASP CB . 19707 1
837 . 1 1 70 70 ASP N N 15 123.394 0.014 . . . . . . 70 ASP N . 19707 1
838 . 1 1 71 71 VAL H H 1 8.243 0.002 . . . . . . 71 VAL H . 19707 1
839 . 1 1 71 71 VAL HA H 1 4.777 0.005 . . . . . . 71 VAL HA . 19707 1
840 . 1 1 71 71 VAL HB H 1 1.982 0.003 . . . . . . 71 VAL HB . 19707 1
841 . 1 1 71 71 VAL HG11 H 1 0.669 0.002 . . . . . . 71 VAL HG1 . 19707 1
842 . 1 1 71 71 VAL HG12 H 1 0.669 0.002 . . . . . . 71 VAL HG1 . 19707 1
843 . 1 1 71 71 VAL HG13 H 1 0.669 0.002 . . . . . . 71 VAL HG1 . 19707 1
844 . 1 1 71 71 VAL HG21 H 1 0.687 0.001 . . . . . . 71 VAL HG2 . 19707 1
845 . 1 1 71 71 VAL HG22 H 1 0.687 0.001 . . . . . . 71 VAL HG2 . 19707 1
846 . 1 1 71 71 VAL HG23 H 1 0.687 0.001 . . . . . . 71 VAL HG2 . 19707 1
847 . 1 1 71 71 VAL C C 13 175.742 0 . . . . . . 71 VAL C . 19707 1
848 . 1 1 71 71 VAL CA C 13 60.126 0.063 . . . . . . 71 VAL CA . 19707 1
849 . 1 1 71 71 VAL CB C 13 35.772 0.042 . . . . . . 71 VAL CB . 19707 1
850 . 1 1 71 71 VAL CG1 C 13 18.719 0.017 . . . . . . 71 VAL CG1 . 19707 1
851 . 1 1 71 71 VAL CG2 C 13 21.87 0.03 . . . . . . 71 VAL CG2 . 19707 1
852 . 1 1 71 71 VAL N N 15 117.872 0.016 . . . . . . 71 VAL N . 19707 1
853 . 1 1 72 72 LEU H H 1 8.929 0.003 . . . . . . 72 LEU H . 19707 1
854 . 1 1 72 72 LEU HA H 1 4.706 0.008 . . . . . . 72 LEU HA . 19707 1
855 . 1 1 72 72 LEU HB2 H 1 1.355 0.005 . . . . . . 72 LEU HB2 . 19707 1
856 . 1 1 72 72 LEU HB3 H 1 1.603 0.006 . . . . . . 72 LEU HB3 . 19707 1
857 . 1 1 72 72 LEU HG H 1 1.485 0.002 . . . . . . 72 LEU HG . 19707 1
858 . 1 1 72 72 LEU HD11 H 1 0.799 0.003 . . . . . . 72 LEU HD1 . 19707 1
859 . 1 1 72 72 LEU HD12 H 1 0.799 0.003 . . . . . . 72 LEU HD1 . 19707 1
860 . 1 1 72 72 LEU HD13 H 1 0.799 0.003 . . . . . . 72 LEU HD1 . 19707 1
861 . 1 1 72 72 LEU HD21 H 1 0.842 0.002 . . . . . . 72 LEU HD2 . 19707 1
862 . 1 1 72 72 LEU HD22 H 1 0.842 0.002 . . . . . . 72 LEU HD2 . 19707 1
863 . 1 1 72 72 LEU HD23 H 1 0.842 0.002 . . . . . . 72 LEU HD2 . 19707 1
864 . 1 1 72 72 LEU C C 13 175.939 0 . . . . . . 72 LEU C . 19707 1
865 . 1 1 72 72 LEU CA C 13 53.957 0.035 . . . . . . 72 LEU CA . 19707 1
866 . 1 1 72 72 LEU CB C 13 44.388 0.054 . . . . . . 72 LEU CB . 19707 1
867 . 1 1 72 72 LEU CG C 13 27.349 0.041 . . . . . . 72 LEU CG . 19707 1
868 . 1 1 72 72 LEU CD1 C 13 26.448 0.118 . . . . . . 72 LEU CD1 . 19707 1
869 . 1 1 72 72 LEU CD2 C 13 23.61 0.039 . . . . . . 72 LEU CD2 . 19707 1
870 . 1 1 72 72 LEU N N 15 123.535 0.021 . . . . . . 72 LEU N . 19707 1
871 . 1 1 73 73 GLN H H 1 9.266 0.002 . . . . . . 73 GLN H . 19707 1
872 . 1 1 73 73 GLN HA H 1 5.415 0.005 . . . . . . 73 GLN HA . 19707 1
873 . 1 1 73 73 GLN HB2 H 1 1.846 0.003 . . . . . . 73 GLN HB2 . 19707 1
874 . 1 1 73 73 GLN HB3 H 1 2.009 0.003 . . . . . . 73 GLN HB3 . 19707 1
875 . 1 1 73 73 GLN HG2 H 1 2.145 0.004 . . . . . . 73 GLN HG2 . 19707 1
876 . 1 1 73 73 GLN HG3 H 1 2.326 0.003 . . . . . . 73 GLN HG3 . 19707 1
877 . 1 1 73 73 GLN HE21 H 1 6.879 0.001 . . . . . . 73 GLN HE21 . 19707 1
878 . 1 1 73 73 GLN HE22 H 1 7.425 0.001 . . . . . . 73 GLN HE22 . 19707 1
879 . 1 1 73 73 GLN C C 13 174.999 0 . . . . . . 73 GLN C . 19707 1
880 . 1 1 73 73 GLN CA C 13 54.083 0.05 . . . . . . 73 GLN CA . 19707 1
881 . 1 1 73 73 GLN CB C 13 32.52 0.066 . . . . . . 73 GLN CB . 19707 1
882 . 1 1 73 73 GLN CG C 13 34.581 0.138 . . . . . . 73 GLN CG . 19707 1
883 . 1 1 73 73 GLN N N 15 119.62 0.018 . . . . . . 73 GLN N . 19707 1
884 . 1 1 73 73 GLN NE2 N 15 111.789 0 . . . . . . 73 GLN NE2 . 19707 1
885 . 1 1 74 74 GLY H H 1 9.443 0.002 . . . . . . 74 GLY H . 19707 1
886 . 1 1 74 74 GLY HA2 H 1 3.28 0.003 . . . . . . 74 GLY HA2 . 19707 1
887 . 1 1 74 74 GLY HA3 H 1 4.858 0.004 . . . . . . 74 GLY HA3 . 19707 1
888 . 1 1 74 74 GLY C C 13 171.822 0 . . . . . . 74 GLY C . 19707 1
889 . 1 1 74 74 GLY CA C 13 44.047 0.057 . . . . . . 74 GLY CA . 19707 1
890 . 1 1 74 74 GLY N N 15 113.613 0.027 . . . . . . 74 GLY N . 19707 1
891 . 1 1 75 75 ARG H H 1 8.685 0.002 . . . . . . 75 ARG H . 19707 1
892 . 1 1 75 75 ARG HA H 1 5.572 0.004 . . . . . . 75 ARG HA . 19707 1
893 . 1 1 75 75 ARG HB2 H 1 1.606 0.005 . . . . . . 75 ARG HB2 . 19707 1
894 . 1 1 75 75 ARG HB3 H 1 1.78 0.004 . . . . . . 75 ARG HB3 . 19707 1
895 . 1 1 75 75 ARG HG2 H 1 1.488 0.001 . . . . . . 75 ARG HG . 19707 1
896 . 1 1 75 75 ARG HG3 H 1 1.488 0.001 . . . . . . 75 ARG HG . 19707 1
897 . 1 1 75 75 ARG HD2 H 1 3.122 0.002 . . . . . . 75 ARG HD . 19707 1
898 . 1 1 75 75 ARG HD3 H 1 3.122 0.002 . . . . . . 75 ARG HD . 19707 1
899 . 1 1 75 75 ARG C C 13 175.098 0 . . . . . . 75 ARG C . 19707 1
900 . 1 1 75 75 ARG CA C 13 54.508 0.042 . . . . . . 75 ARG CA . 19707 1
901 . 1 1 75 75 ARG CB C 13 34.568 0.029 . . . . . . 75 ARG CB . 19707 1
902 . 1 1 75 75 ARG CG C 13 28.24 0.034 . . . . . . 75 ARG CG . 19707 1
903 . 1 1 75 75 ARG CD C 13 43.464 0.025 . . . . . . 75 ARG CD . 19707 1
904 . 1 1 75 75 ARG N N 15 122.579 0.024 . . . . . . 75 ARG N . 19707 1
905 . 1 1 76 76 ALA H H 1 8.66 0.007 . . . . . . 76 ALA H . 19707 1
906 . 1 1 76 76 ALA HA H 1 4.606 0.003 . . . . . . 76 ALA HA . 19707 1
907 . 1 1 76 76 ALA HB1 H 1 1.228 0.004 . . . . . . 76 ALA HB . 19707 1
908 . 1 1 76 76 ALA HB2 H 1 1.228 0.004 . . . . . . 76 ALA HB . 19707 1
909 . 1 1 76 76 ALA HB3 H 1 1.228 0.004 . . . . . . 76 ALA HB . 19707 1
910 . 1 1 76 76 ALA C C 13 175.454 0 . . . . . . 76 ALA C . 19707 1
911 . 1 1 76 76 ALA CA C 13 51.777 0.021 . . . . . . 76 ALA CA . 19707 1
912 . 1 1 76 76 ALA CB C 13 22.775 0.015 . . . . . . 76 ALA CB . 19707 1
913 . 1 1 76 76 ALA N N 15 122.446 0.04 . . . . . . 76 ALA N . 19707 1
914 . 1 1 77 77 THR H H 1 8.561 0.001 . . . . . . 77 THR H . 19707 1
915 . 1 1 77 77 THR HA H 1 5.058 0.005 . . . . . . 77 THR HA . 19707 1
916 . 1 1 77 77 THR HB H 1 3.909 0.004 . . . . . . 77 THR HB . 19707 1
917 . 1 1 77 77 THR HG21 H 1 1.206 0.005 . . . . . . 77 THR HG2 . 19707 1
918 . 1 1 77 77 THR HG22 H 1 1.206 0.005 . . . . . . 77 THR HG2 . 19707 1
919 . 1 1 77 77 THR HG23 H 1 1.206 0.005 . . . . . . 77 THR HG2 . 19707 1
920 . 1 1 77 77 THR C C 13 175.55 0 . . . . . . 77 THR C . 19707 1
921 . 1 1 77 77 THR CA C 13 61.094 0.028 . . . . . . 77 THR CA . 19707 1
922 . 1 1 77 77 THR CB C 13 70.462 0.026 . . . . . . 77 THR CB . 19707 1
923 . 1 1 77 77 THR CG2 C 13 21.211 0.057 . . . . . . 77 THR CG2 . 19707 1
924 . 1 1 77 77 THR N N 15 117.061 0.017 . . . . . . 77 THR N . 19707 1
925 . 1 1 78 78 GLY H H 1 8.719 0.002 . . . . . . 78 GLY H . 19707 1
926 . 1 1 78 78 GLY HA2 H 1 3.826 0.004 . . . . . . 78 GLY HA2 . 19707 1
927 . 1 1 78 78 GLY HA3 H 1 4.547 0.009 . . . . . . 78 GLY HA3 . 19707 1
928 . 1 1 78 78 GLY C C 13 175.317 0 . . . . . . 78 GLY C . 19707 1
929 . 1 1 78 78 GLY CA C 13 44.059 0.015 . . . . . . 78 GLY CA . 19707 1
930 . 1 1 78 78 GLY N N 15 111.203 0.034 . . . . . . 78 GLY N . 19707 1
931 . 1 1 79 79 GLU H H 1 10.445 0.004 . . . . . . 79 GLU H . 19707 1
932 . 1 1 79 79 GLU HA H 1 4.066 0.003 . . . . . . 79 GLU HA . 19707 1
933 . 1 1 79 79 GLU HB2 H 1 1.911 0.009 . . . . . . 79 GLU HB2 . 19707 1
934 . 1 1 79 79 GLU HB3 H 1 2.03 0.005 . . . . . . 79 GLU HB3 . 19707 1
935 . 1 1 79 79 GLU HG2 H 1 2.373 0.005 . . . . . . 79 GLU HG2 . 19707 1
936 . 1 1 79 79 GLU HG3 H 1 2.471 0.006 . . . . . . 79 GLU HG3 . 19707 1
937 . 1 1 79 79 GLU C C 13 178.216 0 . . . . . . 79 GLU C . 19707 1
938 . 1 1 79 79 GLU CA C 13 58.209 0.015 . . . . . . 79 GLU CA . 19707 1
939 . 1 1 79 79 GLU CB C 13 28.817 0.037 . . . . . . 79 GLU CB . 19707 1
940 . 1 1 79 79 GLU CG C 13 34.649 0 . . . . . . 79 GLU CG . 19707 1
941 . 1 1 79 79 GLU N N 15 123.523 0.013 . . . . . . 79 GLU N . 19707 1
942 . 1 1 80 80 GLU H H 1 7.749 0.004 . . . . . . 80 GLU H . 19707 1
943 . 1 1 80 80 GLU HA H 1 4.428 0.004 . . . . . . 80 GLU HA . 19707 1
944 . 1 1 80 80 GLU HB2 H 1 2.044 0.003 . . . . . . 80 GLU HB2 . 19707 1
945 . 1 1 80 80 GLU HB3 H 1 2.37 0.04 . . . . . . 80 GLU HB3 . 19707 1
946 . 1 1 80 80 GLU HG2 H 1 2.286 0 . . . . . . 80 GLU HG2 . 19707 1
947 . 1 1 80 80 GLU HG3 H 1 2.427 0.008 . . . . . . 80 GLU HG3 . 19707 1
948 . 1 1 80 80 GLU C C 13 176.043 0 . . . . . . 80 GLU C . 19707 1
949 . 1 1 80 80 GLU CA C 13 54.526 0.046 . . . . . . 80 GLU CA . 19707 1
950 . 1 1 80 80 GLU CB C 13 27.481 0.027 . . . . . . 80 GLU CB . 19707 1
951 . 1 1 80 80 GLU CG C 13 33.345 0.057 . . . . . . 80 GLU CG . 19707 1
952 . 1 1 80 80 GLU N N 15 113.946 0.02 . . . . . . 80 GLU N . 19707 1
953 . 1 1 81 81 GLY H H 1 7.546 0.003 . . . . . . 81 GLY H . 19707 1
954 . 1 1 81 81 GLY HA2 H 1 3.501 0.003 . . . . . . 81 GLY HA2 . 19707 1
955 . 1 1 81 81 GLY HA3 H 1 4.16 0.011 . . . . . . 81 GLY HA3 . 19707 1
956 . 1 1 81 81 GLY C C 13 173.177 0 . . . . . . 81 GLY C . 19707 1
957 . 1 1 81 81 GLY CA C 13 45.362 0.018 . . . . . . 81 GLY CA . 19707 1
958 . 1 1 81 81 GLY N N 15 105.593 0.014 . . . . . . 81 GLY N . 19707 1
959 . 1 1 82 82 GLU H H 1 9.655 0.002 . . . . . . 82 GLU H . 19707 1
960 . 1 1 82 82 GLU HA H 1 5.024 0.005 . . . . . . 82 GLU HA . 19707 1
961 . 1 1 82 82 GLU HB2 H 1 1.768 0.005 . . . . . . 82 GLU HB2 . 19707 1
962 . 1 1 82 82 GLU HB3 H 1 1.878 0.004 . . . . . . 82 GLU HB3 . 19707 1
963 . 1 1 82 82 GLU HG2 H 1 2.201 0 . . . . . . 82 GLU HG . 19707 1
964 . 1 1 82 82 GLU HG3 H 1 2.201 0 . . . . . . 82 GLU HG . 19707 1
965 . 1 1 82 82 GLU C C 13 173.754 0 . . . . . . 82 GLU C . 19707 1
966 . 1 1 82 82 GLU CA C 13 54.071 0.315 . . . . . . 82 GLU CA . 19707 1
967 . 1 1 82 82 GLU CB C 13 28.816 0.013 . . . . . . 82 GLU CB . 19707 1
968 . 1 1 82 82 GLU CG C 13 32.286 0 . . . . . . 82 GLU CG . 19707 1
969 . 1 1 82 82 GLU N N 15 122.26 0.008 . . . . . . 82 GLU N . 19707 1
970 . 1 1 83 83 THR H H 1 8.56 0.002 . . . . . . 83 THR H . 19707 1
971 . 1 1 83 83 THR HA H 1 5.06 0.004 . . . . . . 83 THR HA . 19707 1
972 . 1 1 83 83 THR HB H 1 4.229 0.007 . . . . . . 83 THR HB . 19707 1
973 . 1 1 83 83 THR HG21 H 1 1.23 0.002 . . . . . . 83 THR HG2 . 19707 1
974 . 1 1 83 83 THR HG22 H 1 1.23 0.002 . . . . . . 83 THR HG2 . 19707 1
975 . 1 1 83 83 THR HG23 H 1 1.23 0.002 . . . . . . 83 THR HG2 . 19707 1
976 . 1 1 83 83 THR C C 13 173.659 0 . . . . . . 83 THR C . 19707 1
977 . 1 1 83 83 THR CA C 13 60.707 0.034 . . . . . . 83 THR CA . 19707 1
978 . 1 1 83 83 THR CB C 13 71.021 0.053 . . . . . . 83 THR CB . 19707 1
979 . 1 1 83 83 THR CG2 C 13 21.7 0 . . . . . . 83 THR CG2 . 19707 1
980 . 1 1 83 83 THR N N 15 114.856 0.023 . . . . . . 83 THR N . 19707 1
981 . 1 1 84 84 VAL H H 1 9.071 0.003 . . . . . . 84 VAL H . 19707 1
982 . 1 1 84 84 VAL HA H 1 4.725 0.005 . . . . . . 84 VAL HA . 19707 1
983 . 1 1 84 84 VAL HB H 1 1.938 0.003 . . . . . . 84 VAL HB . 19707 1
984 . 1 1 84 84 VAL HG11 H 1 0.786 0.001 . . . . . . 84 VAL HG1 . 19707 1
985 . 1 1 84 84 VAL HG12 H 1 0.786 0.001 . . . . . . 84 VAL HG1 . 19707 1
986 . 1 1 84 84 VAL HG13 H 1 0.786 0.001 . . . . . . 84 VAL HG1 . 19707 1
987 . 1 1 84 84 VAL HG21 H 1 0.875 0 . . . . . . 84 VAL HG2 . 19707 1
988 . 1 1 84 84 VAL HG22 H 1 0.875 0 . . . . . . 84 VAL HG2 . 19707 1
989 . 1 1 84 84 VAL HG23 H 1 0.875 0 . . . . . . 84 VAL HG2 . 19707 1
990 . 1 1 84 84 VAL C C 13 173.712 0 . . . . . . 84 VAL C . 19707 1
991 . 1 1 84 84 VAL CA C 13 61.047 0.081 . . . . . . 84 VAL CA . 19707 1
992 . 1 1 84 84 VAL CB C 13 34.974 0.01 . . . . . . 84 VAL CB . 19707 1
993 . 1 1 84 84 VAL CG1 C 13 21.894 0 . . . . . . 84 VAL CG1 . 19707 1
994 . 1 1 84 84 VAL CG2 C 13 20.511 0.008 . . . . . . 84 VAL CG2 . 19707 1
995 . 1 1 84 84 VAL N N 15 122.739 0.017 . . . . . . 84 VAL N . 19707 1
996 . 1 1 85 85 LEU H H 1 8.68 0.003 . . . . . . 85 LEU H . 19707 1
997 . 1 1 85 85 LEU HA H 1 5.462 0.005 . . . . . . 85 LEU HA . 19707 1
998 . 1 1 85 85 LEU HB2 H 1 1.505 0.002 . . . . . . 85 LEU HB2 . 19707 1
999 . 1 1 85 85 LEU HB3 H 1 1.745 0.003 . . . . . . 85 LEU HB3 . 19707 1
1000 . 1 1 85 85 LEU HG H 1 1.42 0.004 . . . . . . 85 LEU HG . 19707 1
1001 . 1 1 85 85 LEU HD11 H 1 0.91 0.012 . . . . . . 85 LEU HD1 . 19707 1
1002 . 1 1 85 85 LEU HD12 H 1 0.91 0.012 . . . . . . 85 LEU HD1 . 19707 1
1003 . 1 1 85 85 LEU HD13 H 1 0.91 0.012 . . . . . . 85 LEU HD1 . 19707 1
1004 . 1 1 85 85 LEU HD21 H 1 0.88 0.002 . . . . . . 85 LEU HD2 . 19707 1
1005 . 1 1 85 85 LEU HD22 H 1 0.88 0.002 . . . . . . 85 LEU HD2 . 19707 1
1006 . 1 1 85 85 LEU HD23 H 1 0.88 0.002 . . . . . . 85 LEU HD2 . 19707 1
1007 . 1 1 85 85 LEU C C 13 175.096 0 . . . . . . 85 LEU C . 19707 1
1008 . 1 1 85 85 LEU CA C 13 53.547 0.027 . . . . . . 85 LEU CA . 19707 1
1009 . 1 1 85 85 LEU CB C 13 45.265 0.028 . . . . . . 85 LEU CB . 19707 1
1010 . 1 1 85 85 LEU CG C 13 28.169 0.104 . . . . . . 85 LEU CG . 19707 1
1011 . 1 1 85 85 LEU CD1 C 13 24.041 0.052 . . . . . . 85 LEU CD1 . 19707 1
1012 . 1 1 85 85 LEU CD2 C 13 25.445 0.059 . . . . . . 85 LEU CD2 . 19707 1
1013 . 1 1 85 85 LEU N N 15 130.003 0.03 . . . . . . 85 LEU N . 19707 1
1014 . 1 1 86 86 VAL H H 1 9.298 0.003 . . . . . . 86 VAL H . 19707 1
1015 . 1 1 86 86 VAL HA H 1 5.111 0.005 . . . . . . 86 VAL HA . 19707 1
1016 . 1 1 86 86 VAL HB H 1 1.853 0.005 . . . . . . 86 VAL HB . 19707 1
1017 . 1 1 86 86 VAL HG11 H 1 0.847 0.062 . . . . . . 86 VAL HG1 . 19707 1
1018 . 1 1 86 86 VAL HG12 H 1 0.847 0.062 . . . . . . 86 VAL HG1 . 19707 1
1019 . 1 1 86 86 VAL HG13 H 1 0.847 0.062 . . . . . . 86 VAL HG1 . 19707 1
1020 . 1 1 86 86 VAL HG21 H 1 0.913 0 . . . . . . 86 VAL HG2 . 19707 1
1021 . 1 1 86 86 VAL HG22 H 1 0.913 0 . . . . . . 86 VAL HG2 . 19707 1
1022 . 1 1 86 86 VAL HG23 H 1 0.913 0 . . . . . . 86 VAL HG2 . 19707 1
1023 . 1 1 86 86 VAL C C 13 175.32 0 . . . . . . 86 VAL C . 19707 1
1024 . 1 1 86 86 VAL CA C 13 59.95 0.064 . . . . . . 86 VAL CA . 19707 1
1025 . 1 1 86 86 VAL CB C 13 35.025 0.015 . . . . . . 86 VAL CB . 19707 1
1026 . 1 1 86 86 VAL CG1 C 13 21.68 0 . . . . . . 86 VAL CG1 . 19707 1
1027 . 1 1 86 86 VAL N N 15 122.878 0.018 . . . . . . 86 VAL N . 19707 1
1028 . 1 1 87 87 GLU H H 1 8.921 0.004 . . . . . . 87 GLU H . 19707 1
1029 . 1 1 87 87 GLU HA H 1 5.801 0.004 . . . . . . 87 GLU HA . 19707 1
1030 . 1 1 87 87 GLU HB2 H 1 1.959 0.004 . . . . . . 87 GLU HB2 . 19707 1
1031 . 1 1 87 87 GLU HB3 H 1 2.008 0.006 . . . . . . 87 GLU HB3 . 19707 1
1032 . 1 1 87 87 GLU HG2 H 1 2.4 0.003 . . . . . . 87 GLU HG . 19707 1
1033 . 1 1 87 87 GLU HG3 H 1 2.4 0.003 . . . . . . 87 GLU HG . 19707 1
1034 . 1 1 87 87 GLU C C 13 175.017 0 . . . . . . 87 GLU C . 19707 1
1035 . 1 1 87 87 GLU CA C 13 54.099 0.05 . . . . . . 87 GLU CA . 19707 1
1036 . 1 1 87 87 GLU CB C 13 33.874 0.112 . . . . . . 87 GLU CB . 19707 1
1037 . 1 1 87 87 GLU CG C 13 34.487 0.035 . . . . . . 87 GLU CG . 19707 1
1038 . 1 1 87 87 GLU N N 15 120.537 0.014 . . . . . . 87 GLU N . 19707 1
1039 . 1 1 88 88 GLU H H 1 8.45 0.004 . . . . . . 88 GLU H . 19707 1
1040 . 1 1 88 88 GLU HA H 1 5.071 0.005 . . . . . . 88 GLU HA . 19707 1
1041 . 1 1 88 88 GLU HB2 H 1 1.794 0.004 . . . . . . 88 GLU HB2 . 19707 1
1042 . 1 1 88 88 GLU HB3 H 1 2.131 0.003 . . . . . . 88 GLU HB3 . 19707 1
1043 . 1 1 88 88 GLU HG2 H 1 2.328 0.003 . . . . . . 88 GLU HG . 19707 1
1044 . 1 1 88 88 GLU HG3 H 1 2.328 0.003 . . . . . . 88 GLU HG . 19707 1
1045 . 1 1 88 88 GLU CA C 13 52.667 0.056 . . . . . . 88 GLU CA . 19707 1
1046 . 1 1 88 88 GLU CB C 13 32.697 0.077 . . . . . . 88 GLU CB . 19707 1
1047 . 1 1 88 88 GLU CG C 13 33.992 0.004 . . . . . . 88 GLU CG . 19707 1
1048 . 1 1 88 88 GLU N N 15 118.625 0.018 . . . . . . 88 GLU N . 19707 1
1049 . 1 1 89 89 PRO HA H 1 4.599 0.004 . . . . . . 89 PRO HA . 19707 1
1050 . 1 1 89 89 PRO HB2 H 1 2.023 0.003 . . . . . . 89 PRO HB2 . 19707 1
1051 . 1 1 89 89 PRO HB3 H 1 2.412 0.003 . . . . . . 89 PRO HB3 . 19707 1
1052 . 1 1 89 89 PRO HG2 H 1 1.977 0.001 . . . . . . 89 PRO HG2 . 19707 1
1053 . 1 1 89 89 PRO HG3 H 1 2.178 0.003 . . . . . . 89 PRO HG3 . 19707 1
1054 . 1 1 89 89 PRO HD2 H 1 3.625 0 . . . . . . 89 PRO HD2 . 19707 1
1055 . 1 1 89 89 PRO HD3 H 1 3.836 0.001 . . . . . . 89 PRO HD3 . 19707 1
1056 . 1 1 89 89 PRO C C 13 175.524 0 . . . . . . 89 PRO C . 19707 1
1057 . 1 1 89 89 PRO CA C 13 63.131 0.078 . . . . . . 89 PRO CA . 19707 1
1058 . 1 1 89 89 PRO CB C 13 32.084 0.102 . . . . . . 89 PRO CB . 19707 1
1059 . 1 1 89 89 PRO CG C 13 27.607 0.086 . . . . . . 89 PRO CG . 19707 1
1060 . 1 1 89 89 PRO CD C 13 50.78 0.046 . . . . . . 89 PRO CD . 19707 1
1061 . 1 1 90 90 ARG H H 1 7.928 0.002 . . . . . . 90 ARG H . 19707 1
1062 . 1 1 90 90 ARG HA H 1 3.948 0.003 . . . . . . 90 ARG HA . 19707 1
1063 . 1 1 90 90 ARG HB2 H 1 1.426 0.004 . . . . . . 90 ARG HB2 . 19707 1
1064 . 1 1 90 90 ARG HB3 H 1 1.598 0.006 . . . . . . 90 ARG HB3 . 19707 1
1065 . 1 1 90 90 ARG HG2 H 1 1.52 0 . . . . . . 90 ARG HG . 19707 1
1066 . 1 1 90 90 ARG HG3 H 1 1.52 0 . . . . . . 90 ARG HG . 19707 1
1067 . 1 1 90 90 ARG HD2 H 1 3.128 0.002 . . . . . . 90 ARG HD . 19707 1
1068 . 1 1 90 90 ARG HD3 H 1 3.128 0.002 . . . . . . 90 ARG HD . 19707 1
1069 . 1 1 90 90 ARG CA C 13 58.354 0.051 . . . . . . 90 ARG CA . 19707 1
1070 . 1 1 90 90 ARG CB C 13 31.311 0.03 . . . . . . 90 ARG CB . 19707 1
1071 . 1 1 90 90 ARG CG C 13 27.912 0.028 . . . . . . 90 ARG CG . 19707 1
1072 . 1 1 90 90 ARG CD C 13 43.627 0.014 . . . . . . 90 ARG CD . 19707 1
1073 . 1 1 90 90 ARG N N 15 127.183 0.024 . . . . . . 90 ARG N . 19707 1
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