data_11217
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11217
_Entry.Title
;
Solution structure of the first SH3 domain of Stac protein
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-07-22
_Entry.Accession_date 2010-07-23
_Entry.Last_release_date 2011-07-21
_Entry.Original_release_date 2011-07-21
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.14
_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 X. Qin . . . 11217
2 T. Suetake . . . 11217
3 F. Hayashi . . . 11217
4 S. Yokoyama . . . 11217
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
. 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11217
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 11217
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 289 11217
'15N chemical shifts' 68 11217
'1H chemical shifts' 447 11217
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 . . 2011-07-21 2010-07-22 original author . 11217
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2DL4 'BMRB Entry Tracking System' 11217
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 11217
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'Solution structure of the first SH3 domain of Stac protein'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev .
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 X. Qin . . . 11217 1
2 T. Suetake . . . 11217 1
3 F. Hayashi . . . 11217 1
4 S. Yokoyama . . . 11217 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 11217
_Assembly.ID 1
_Assembly.Name 'SH3 domain of Stac protein'
_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 'SH3 domain of Stac protein' 1 $entity_1 A . yes native no no . . . 11217 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
yes PDB 2dl4 . . . . . . 11217 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 11217
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'SH3 domain'
_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
;
GSSGSSGNTYVALYKFVPQE
NEDLEMRPGDIITLLEDSNE
DWWKGKIQDRIGFFPANFVQ
RLSGPSSG
;
_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 68
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-26
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 2DL4 . "Solution Structure Of The First Sh3 Domain Of Stac Protein" . . . . . 100.00 68 100.00 100.00 4.74e-41 . . . . 11217 1
2 no DBJ BAA13152 . "stac [Homo sapiens]" . . . . . 80.88 402 100.00 100.00 4.05e-31 . . . . 11217 1
3 no DBJ BAG36275 . "unnamed protein product [Homo sapiens]" . . . . . 80.88 402 100.00 100.00 4.05e-31 . . . . 11217 1
4 no DBJ BAG61208 . "unnamed protein product [Homo sapiens]" . . . . . 80.88 341 100.00 100.00 3.00e-31 . . . . 11217 1
5 no DBJ BAG63925 . "unnamed protein product [Homo sapiens]" . . . . . 80.88 334 100.00 100.00 2.93e-31 . . . . 11217 1
6 no DBJ BAI47349 . "SH3 and cysteine rich domain-containing protein [synthetic construct]" . . . . . 80.88 402 100.00 100.00 3.52e-31 . . . . 11217 1
7 no GB AAH20221 . "SH3 and cysteine rich domain [Homo sapiens]" . . . . . 80.88 402 100.00 100.00 3.52e-31 . . . . 11217 1
8 no GB ABM83106 . "SH3 and cysteine rich domain [synthetic construct]" . . . . . 80.88 402 100.00 100.00 3.52e-31 . . . . 11217 1
9 no GB ABM86300 . "SH3 and cysteine rich domain [synthetic construct]" . . . . . 80.88 402 100.00 100.00 3.52e-31 . . . . 11217 1
10 no GB ABM86301 . "SH3 and cysteine rich domain, partial [synthetic construct]" . . . . . 80.88 402 100.00 100.00 3.52e-31 . . . . 11217 1
11 no GB AIC55179 . "STAC, partial [synthetic construct]" . . . . . 80.88 402 100.00 100.00 3.52e-31 . . . . 11217 1
12 no REF NP_001278978 . "SH3 and cysteine-rich domain-containing protein isoform 2 [Homo sapiens]" . . . . . 80.88 341 100.00 100.00 3.00e-31 . . . . 11217 1
13 no REF NP_003140 . "SH3 and cysteine-rich domain-containing protein isoform 1 [Homo sapiens]" . . . . . 80.88 402 100.00 100.00 4.05e-31 . . . . 11217 1
14 no REF XP_001101503 . "PREDICTED: SH3 and cysteine-rich domain-containing protein isoform 1 [Macaca mulatta]" . . . . . 80.88 402 100.00 100.00 3.32e-31 . . . . 11217 1
15 no REF XP_002803096 . "PREDICTED: SH3 and cysteine-rich domain-containing protein isoform 2 [Macaca mulatta]" . . . . . 80.88 341 100.00 100.00 2.44e-31 . . . . 11217 1
16 no REF XP_003826166 . "PREDICTED: SH3 and cysteine-rich domain-containing protein isoform X3 [Pan paniscus]" . . . . . 80.88 402 100.00 100.00 4.05e-31 . . . . 11217 1
17 no SP Q99469 . "RecName: Full=SH3 and cysteine-rich domain-containing protein; AltName: Full=Src homology 3 and cysteine-rich domain-containing" . . . . . 80.88 402 100.00 100.00 4.05e-31 . . . . 11217 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'SH3 domain' . 11217 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 . 11217 1
2 . SER . 11217 1
3 . SER . 11217 1
4 . GLY . 11217 1
5 . SER . 11217 1
6 . SER . 11217 1
7 . GLY . 11217 1
8 . ASN . 11217 1
9 . THR . 11217 1
10 . TYR . 11217 1
11 . VAL . 11217 1
12 . ALA . 11217 1
13 . LEU . 11217 1
14 . TYR . 11217 1
15 . LYS . 11217 1
16 . PHE . 11217 1
17 . VAL . 11217 1
18 . PRO . 11217 1
19 . GLN . 11217 1
20 . GLU . 11217 1
21 . ASN . 11217 1
22 . GLU . 11217 1
23 . ASP . 11217 1
24 . LEU . 11217 1
25 . GLU . 11217 1
26 . MET . 11217 1
27 . ARG . 11217 1
28 . PRO . 11217 1
29 . GLY . 11217 1
30 . ASP . 11217 1
31 . ILE . 11217 1
32 . ILE . 11217 1
33 . THR . 11217 1
34 . LEU . 11217 1
35 . LEU . 11217 1
36 . GLU . 11217 1
37 . ASP . 11217 1
38 . SER . 11217 1
39 . ASN . 11217 1
40 . GLU . 11217 1
41 . ASP . 11217 1
42 . TRP . 11217 1
43 . TRP . 11217 1
44 . LYS . 11217 1
45 . GLY . 11217 1
46 . LYS . 11217 1
47 . ILE . 11217 1
48 . GLN . 11217 1
49 . ASP . 11217 1
50 . ARG . 11217 1
51 . ILE . 11217 1
52 . GLY . 11217 1
53 . PHE . 11217 1
54 . PHE . 11217 1
55 . PRO . 11217 1
56 . ALA . 11217 1
57 . ASN . 11217 1
58 . PHE . 11217 1
59 . VAL . 11217 1
60 . GLN . 11217 1
61 . ARG . 11217 1
62 . LEU . 11217 1
63 . SER . 11217 1
64 . GLY . 11217 1
65 . PRO . 11217 1
66 . SER . 11217 1
67 . SER . 11217 1
68 . GLY . 11217 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 11217 1
. SER 2 2 11217 1
. SER 3 3 11217 1
. GLY 4 4 11217 1
. SER 5 5 11217 1
. SER 6 6 11217 1
. GLY 7 7 11217 1
. ASN 8 8 11217 1
. THR 9 9 11217 1
. TYR 10 10 11217 1
. VAL 11 11 11217 1
. ALA 12 12 11217 1
. LEU 13 13 11217 1
. TYR 14 14 11217 1
. LYS 15 15 11217 1
. PHE 16 16 11217 1
. VAL 17 17 11217 1
. PRO 18 18 11217 1
. GLN 19 19 11217 1
. GLU 20 20 11217 1
. ASN 21 21 11217 1
. GLU 22 22 11217 1
. ASP 23 23 11217 1
. LEU 24 24 11217 1
. GLU 25 25 11217 1
. MET 26 26 11217 1
. ARG 27 27 11217 1
. PRO 28 28 11217 1
. GLY 29 29 11217 1
. ASP 30 30 11217 1
. ILE 31 31 11217 1
. ILE 32 32 11217 1
. THR 33 33 11217 1
. LEU 34 34 11217 1
. LEU 35 35 11217 1
. GLU 36 36 11217 1
. ASP 37 37 11217 1
. SER 38 38 11217 1
. ASN 39 39 11217 1
. GLU 40 40 11217 1
. ASP 41 41 11217 1
. TRP 42 42 11217 1
. TRP 43 43 11217 1
. LYS 44 44 11217 1
. GLY 45 45 11217 1
. LYS 46 46 11217 1
. ILE 47 47 11217 1
. GLN 48 48 11217 1
. ASP 49 49 11217 1
. ARG 50 50 11217 1
. ILE 51 51 11217 1
. GLY 52 52 11217 1
. PHE 53 53 11217 1
. PHE 54 54 11217 1
. PRO 55 55 11217 1
. ALA 56 56 11217 1
. ASN 57 57 11217 1
. PHE 58 58 11217 1
. VAL 59 59 11217 1
. GLN 60 60 11217 1
. ARG 61 61 11217 1
. LEU 62 62 11217 1
. SER 63 63 11217 1
. GLY 64 64 11217 1
. PRO 65 65 11217 1
. SER 66 66 11217 1
. SER 67 67 11217 1
. GLY 68 68 11217 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 11217
_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_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11217 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 11217
_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_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050613-10 . . . . . . 11217 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 11217
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
1.09mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O
;
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.09 . . mM . . . . 11217 1
2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11217 1
3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11217 1
4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11217 1
5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11217 1
6 H2O . . . . . . solvent 90 . . % . . . . 11217 1
7 D2O . . . . . . solvent 10 . . % . . . . 11217 1
stop_
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode condition_1
_Sample_condition_list.Entry_ID 11217
_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' 120 0.1 mM 11217 1
pH 7.0 0.05 pH 11217 1
pressure 1 0.001 atm 11217 1
temperature 298 0.1 K 11217 1
stop_
save_
############################
# Computer software used #
############################
save_VNMR
_Software.Sf_category software
_Software.Sf_framecode VNMR
_Software.Entry_ID 11217
_Software.ID 1
_Software.Name VNMR
_Software.Version 6.1C
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Varian . . 11217 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 11217 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 11217
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 20031121
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, F.' . . 11217 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 11217 2
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 11217
_Software.ID 3
_Software.Name NMRView
_Software.Version 5.0.4
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Johnson, B.A.' . . 11217 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11217 3
stop_
save_
save_Kujira
_Software.Sf_category software
_Software.Sf_framecode Kujira
_Software.Entry_ID 11217
_Software.ID 4
_Software.Name Kujira
_Software.Version 0.9296
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Kobayashi N.' . . 11217 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11217 4
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 11217
_Software.ID 5
_Software.Name CYANA
_Software.Version 2.0.17
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, P.' . . 11217 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 11217 5
'structure solution' 11217 5
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 11217
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Varian
_NMR_spectrometer.Model INOVA
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
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 11217
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 spectrometer_1 Varian INOVA . 800 . . . 11217 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 11217
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11217 1
2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11217 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode reference_1
_Chem_shift_reference.Entry_ID 11217
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
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 0.0 . indirect 0.251449530 . . . . . . . . . 11217 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11217 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11217 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_chemical_shift_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_1
_Assigned_chem_shift_list.Entry_ID 11217
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11217 1
2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11217 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $VNMR . . 11217 1
2 $NMRPipe . . 11217 1
3 $NMRView . . 11217 1
4 $Kujira . . 11217 1
5 $CYANA . . 11217 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 6 6 SER HA H 1 4.236 0.030 . 1 . . . . 6 SER HA . 11217 1
2 . 1 1 6 6 SER HB2 H 1 3.845 0.030 . 1 . . . . 6 SER HB2 . 11217 1
3 . 1 1 6 6 SER HB3 H 1 3.845 0.030 . 1 . . . . 6 SER HB3 . 11217 1
4 . 1 1 6 6 SER C C 13 175.000 0.300 . 1 . . . . 6 SER C . 11217 1
5 . 1 1 6 6 SER CA C 13 58.978 0.300 . 1 . . . . 6 SER CA . 11217 1
6 . 1 1 6 6 SER CB C 13 63.564 0.300 . 1 . . . . 6 SER CB . 11217 1
7 . 1 1 7 7 GLY H H 1 8.581 0.030 . 1 . . . . 7 GLY H . 11217 1
8 . 1 1 7 7 GLY HA2 H 1 4.152 0.030 . 2 . . . . 7 GLY HA2 . 11217 1
9 . 1 1 7 7 GLY HA3 H 1 3.880 0.030 . 2 . . . . 7 GLY HA3 . 11217 1
10 . 1 1 7 7 GLY C C 13 174.032 0.300 . 1 . . . . 7 GLY C . 11217 1
11 . 1 1 7 7 GLY CA C 13 45.315 0.300 . 1 . . . . 7 GLY CA . 11217 1
12 . 1 1 7 7 GLY N N 15 111.229 0.300 . 1 . . . . 7 GLY N . 11217 1
13 . 1 1 8 8 ASN H H 1 8.299 0.030 . 1 . . . . 8 ASN H . 11217 1
14 . 1 1 8 8 ASN HA H 1 4.935 0.030 . 1 . . . . 8 ASN HA . 11217 1
15 . 1 1 8 8 ASN HB2 H 1 3.035 0.030 . 2 . . . . 8 ASN HB2 . 11217 1
16 . 1 1 8 8 ASN HB3 H 1 2.810 0.030 . 2 . . . . 8 ASN HB3 . 11217 1
17 . 1 1 8 8 ASN HD21 H 1 7.018 0.030 . 2 . . . . 8 ASN HD21 . 11217 1
18 . 1 1 8 8 ASN HD22 H 1 7.421 0.030 . 2 . . . . 8 ASN HD22 . 11217 1
19 . 1 1 8 8 ASN C C 13 174.328 0.300 . 1 . . . . 8 ASN C . 11217 1
20 . 1 1 8 8 ASN CA C 13 52.943 0.300 . 1 . . . . 8 ASN CA . 11217 1
21 . 1 1 8 8 ASN CB C 13 39.400 0.300 . 1 . . . . 8 ASN CB . 11217 1
22 . 1 1 8 8 ASN N N 15 118.847 0.300 . 1 . . . . 8 ASN N . 11217 1
23 . 1 1 8 8 ASN ND2 N 15 111.471 0.300 . 1 . . . . 8 ASN ND2 . 11217 1
24 . 1 1 9 9 THR H H 1 8.072 0.030 . 1 . . . . 9 THR H . 11217 1
25 . 1 1 9 9 THR HA H 1 5.363 0.030 . 1 . . . . 9 THR HA . 11217 1
26 . 1 1 9 9 THR HB H 1 4.005 0.030 . 1 . . . . 9 THR HB . 11217 1
27 . 1 1 9 9 THR HG21 H 1 1.226 0.030 . 1 . . . . 9 THR HG2 . 11217 1
28 . 1 1 9 9 THR HG22 H 1 1.226 0.030 . 1 . . . . 9 THR HG2 . 11217 1
29 . 1 1 9 9 THR HG23 H 1 1.226 0.030 . 1 . . . . 9 THR HG2 . 11217 1
30 . 1 1 9 9 THR C C 13 173.777 0.300 . 1 . . . . 9 THR C . 11217 1
31 . 1 1 9 9 THR CA C 13 61.290 0.300 . 1 . . . . 9 THR CA . 11217 1
32 . 1 1 9 9 THR CB C 13 70.722 0.300 . 1 . . . . 9 THR CB . 11217 1
33 . 1 1 9 9 THR CG2 C 13 22.948 0.300 . 1 . . . . 9 THR CG2 . 11217 1
34 . 1 1 9 9 THR N N 15 113.166 0.300 . 1 . . . . 9 THR N . 11217 1
35 . 1 1 10 10 TYR H H 1 9.390 0.030 . 1 . . . . 10 TYR H . 11217 1
36 . 1 1 10 10 TYR HA H 1 4.988 0.030 . 1 . . . . 10 TYR HA . 11217 1
37 . 1 1 10 10 TYR HB2 H 1 2.782 0.030 . 2 . . . . 10 TYR HB2 . 11217 1
38 . 1 1 10 10 TYR HB3 H 1 2.654 0.030 . 2 . . . . 10 TYR HB3 . 11217 1
39 . 1 1 10 10 TYR HD1 H 1 6.955 0.030 . 1 . . . . 10 TYR HD1 . 11217 1
40 . 1 1 10 10 TYR HD2 H 1 6.955 0.030 . 1 . . . . 10 TYR HD2 . 11217 1
41 . 1 1 10 10 TYR HE1 H 1 6.860 0.030 . 1 . . . . 10 TYR HE1 . 11217 1
42 . 1 1 10 10 TYR HE2 H 1 6.860 0.030 . 1 . . . . 10 TYR HE2 . 11217 1
43 . 1 1 10 10 TYR C C 13 173.039 0.300 . 1 . . . . 10 TYR C . 11217 1
44 . 1 1 10 10 TYR CA C 13 56.865 0.300 . 1 . . . . 10 TYR CA . 11217 1
45 . 1 1 10 10 TYR CB C 13 43.222 0.300 . 1 . . . . 10 TYR CB . 11217 1
46 . 1 1 10 10 TYR CD1 C 13 132.403 0.300 . 1 . . . . 10 TYR CD1 . 11217 1
47 . 1 1 10 10 TYR CD2 C 13 132.403 0.300 . 1 . . . . 10 TYR CD2 . 11217 1
48 . 1 1 10 10 TYR CE1 C 13 118.402 0.300 . 1 . . . . 10 TYR CE1 . 11217 1
49 . 1 1 10 10 TYR CE2 C 13 118.402 0.300 . 1 . . . . 10 TYR CE2 . 11217 1
50 . 1 1 10 10 TYR N N 15 124.495 0.300 . 1 . . . . 10 TYR N . 11217 1
51 . 1 1 11 11 VAL H H 1 9.430 0.030 . 1 . . . . 11 VAL H . 11217 1
52 . 1 1 11 11 VAL HA H 1 5.440 0.030 . 1 . . . . 11 VAL HA . 11217 1
53 . 1 1 11 11 VAL HB H 1 1.864 0.030 . 1 . . . . 11 VAL HB . 11217 1
54 . 1 1 11 11 VAL HG11 H 1 0.916 0.030 . 1 . . . . 11 VAL HG1 . 11217 1
55 . 1 1 11 11 VAL HG12 H 1 0.916 0.030 . 1 . . . . 11 VAL HG1 . 11217 1
56 . 1 1 11 11 VAL HG13 H 1 0.916 0.030 . 1 . . . . 11 VAL HG1 . 11217 1
57 . 1 1 11 11 VAL HG21 H 1 0.881 0.030 . 1 . . . . 11 VAL HG2 . 11217 1
58 . 1 1 11 11 VAL HG22 H 1 0.881 0.030 . 1 . . . . 11 VAL HG2 . 11217 1
59 . 1 1 11 11 VAL HG23 H 1 0.881 0.030 . 1 . . . . 11 VAL HG2 . 11217 1
60 . 1 1 11 11 VAL C C 13 174.822 0.300 . 1 . . . . 11 VAL C . 11217 1
61 . 1 1 11 11 VAL CA C 13 58.149 0.300 . 1 . . . . 11 VAL CA . 11217 1
62 . 1 1 11 11 VAL CB C 13 35.118 0.300 . 1 . . . . 11 VAL CB . 11217 1
63 . 1 1 11 11 VAL CG1 C 13 21.682 0.300 . 2 . . . . 11 VAL CG1 . 11217 1
64 . 1 1 11 11 VAL CG2 C 13 19.511 0.300 . 2 . . . . 11 VAL CG2 . 11217 1
65 . 1 1 11 11 VAL N N 15 119.186 0.300 . 1 . . . . 11 VAL N . 11217 1
66 . 1 1 12 12 ALA H H 1 8.797 0.030 . 1 . . . . 12 ALA H . 11217 1
67 . 1 1 12 12 ALA HA H 1 4.446 0.030 . 1 . . . . 12 ALA HA . 11217 1
68 . 1 1 12 12 ALA HB1 H 1 1.547 0.030 . 1 . . . . 12 ALA HB . 11217 1
69 . 1 1 12 12 ALA HB2 H 1 1.547 0.030 . 1 . . . . 12 ALA HB . 11217 1
70 . 1 1 12 12 ALA HB3 H 1 1.547 0.030 . 1 . . . . 12 ALA HB . 11217 1
71 . 1 1 12 12 ALA C C 13 178.827 0.300 . 1 . . . . 12 ALA C . 11217 1
72 . 1 1 12 12 ALA CA C 13 52.514 0.300 . 1 . . . . 12 ALA CA . 11217 1
73 . 1 1 12 12 ALA CB C 13 19.377 0.300 . 1 . . . . 12 ALA CB . 11217 1
74 . 1 1 12 12 ALA N N 15 127.906 0.300 . 1 . . . . 12 ALA N . 11217 1
75 . 1 1 13 13 LEU H H 1 9.190 0.030 . 1 . . . . 13 LEU H . 11217 1
76 . 1 1 13 13 LEU HA H 1 4.070 0.030 . 1 . . . . 13 LEU HA . 11217 1
77 . 1 1 13 13 LEU HB2 H 1 0.871 0.030 . 2 . . . . 13 LEU HB2 . 11217 1
78 . 1 1 13 13 LEU HB3 H 1 0.464 0.030 . 2 . . . . 13 LEU HB3 . 11217 1
79 . 1 1 13 13 LEU HD11 H 1 0.651 0.030 . 1 . . . . 13 LEU HD1 . 11217 1
80 . 1 1 13 13 LEU HD12 H 1 0.651 0.030 . 1 . . . . 13 LEU HD1 . 11217 1
81 . 1 1 13 13 LEU HD13 H 1 0.651 0.030 . 1 . . . . 13 LEU HD1 . 11217 1
82 . 1 1 13 13 LEU HD21 H 1 0.612 0.030 . 1 . . . . 13 LEU HD2 . 11217 1
83 . 1 1 13 13 LEU HD22 H 1 0.612 0.030 . 1 . . . . 13 LEU HD2 . 11217 1
84 . 1 1 13 13 LEU HD23 H 1 0.612 0.030 . 1 . . . . 13 LEU HD2 . 11217 1
85 . 1 1 13 13 LEU HG H 1 1.317 0.030 . 1 . . . . 13 LEU HG . 11217 1
86 . 1 1 13 13 LEU C C 13 175.876 0.300 . 1 . . . . 13 LEU C . 11217 1
87 . 1 1 13 13 LEU CA C 13 55.279 0.300 . 1 . . . . 13 LEU CA . 11217 1
88 . 1 1 13 13 LEU CB C 13 43.061 0.300 . 1 . . . . 13 LEU CB . 11217 1
89 . 1 1 13 13 LEU CD1 C 13 25.198 0.300 . 2 . . . . 13 LEU CD1 . 11217 1
90 . 1 1 13 13 LEU CD2 C 13 21.892 0.300 . 2 . . . . 13 LEU CD2 . 11217 1
91 . 1 1 13 13 LEU CG C 13 26.741 0.300 . 1 . . . . 13 LEU CG . 11217 1
92 . 1 1 13 13 LEU N N 15 123.636 0.300 . 1 . . . . 13 LEU N . 11217 1
93 . 1 1 14 14 TYR H H 1 6.665 0.030 . 1 . . . . 14 TYR H . 11217 1
94 . 1 1 14 14 TYR HA H 1 4.806 0.030 . 1 . . . . 14 TYR HA . 11217 1
95 . 1 1 14 14 TYR HB2 H 1 2.912 0.030 . 2 . . . . 14 TYR HB2 . 11217 1
96 . 1 1 14 14 TYR HB3 H 1 1.855 0.030 . 2 . . . . 14 TYR HB3 . 11217 1
97 . 1 1 14 14 TYR HD1 H 1 6.531 0.030 . 1 . . . . 14 TYR HD1 . 11217 1
98 . 1 1 14 14 TYR HD2 H 1 6.531 0.030 . 1 . . . . 14 TYR HD2 . 11217 1
99 . 1 1 14 14 TYR HE1 H 1 6.637 0.030 . 1 . . . . 14 TYR HE1 . 11217 1
100 . 1 1 14 14 TYR HE2 H 1 6.637 0.030 . 1 . . . . 14 TYR HE2 . 11217 1
101 . 1 1 14 14 TYR C C 13 172.984 0.300 . 1 . . . . 14 TYR C . 11217 1
102 . 1 1 14 14 TYR CA C 13 54.153 0.300 . 1 . . . . 14 TYR CA . 11217 1
103 . 1 1 14 14 TYR CB C 13 42.219 0.300 . 1 . . . . 14 TYR CB . 11217 1
104 . 1 1 14 14 TYR CD1 C 13 133.241 0.300 . 1 . . . . 14 TYR CD1 . 11217 1
105 . 1 1 14 14 TYR CD2 C 13 133.241 0.300 . 1 . . . . 14 TYR CD2 . 11217 1
106 . 1 1 14 14 TYR CE1 C 13 117.420 0.300 . 1 . . . . 14 TYR CE1 . 11217 1
107 . 1 1 14 14 TYR CE2 C 13 117.420 0.300 . 1 . . . . 14 TYR CE2 . 11217 1
108 . 1 1 14 14 TYR N N 15 112.813 0.300 . 1 . . . . 14 TYR N . 11217 1
109 . 1 1 15 15 LYS H H 1 8.306 0.030 . 1 . . . . 15 LYS H . 11217 1
110 . 1 1 15 15 LYS HA H 1 4.446 0.030 . 1 . . . . 15 LYS HA . 11217 1
111 . 1 1 15 15 LYS HB2 H 1 1.886 0.030 . 1 . . . . 15 LYS HB2 . 11217 1
112 . 1 1 15 15 LYS HB3 H 1 1.886 0.030 . 1 . . . . 15 LYS HB3 . 11217 1
113 . 1 1 15 15 LYS HD2 H 1 1.768 0.030 . 1 . . . . 15 LYS HD2 . 11217 1
114 . 1 1 15 15 LYS HD3 H 1 1.768 0.030 . 1 . . . . 15 LYS HD3 . 11217 1
115 . 1 1 15 15 LYS HE2 H 1 2.994 0.030 . 2 . . . . 15 LYS HE2 . 11217 1
116 . 1 1 15 15 LYS HE3 H 1 2.955 0.030 . 2 . . . . 15 LYS HE3 . 11217 1
117 . 1 1 15 15 LYS HG2 H 1 1.440 0.030 . 2 . . . . 15 LYS HG2 . 11217 1
118 . 1 1 15 15 LYS HG3 H 1 1.580 0.030 . 2 . . . . 15 LYS HG3 . 11217 1
119 . 1 1 15 15 LYS C C 13 175.178 0.300 . 1 . . . . 15 LYS C . 11217 1
120 . 1 1 15 15 LYS CA C 13 55.906 0.300 . 1 . . . . 15 LYS CA . 11217 1
121 . 1 1 15 15 LYS CB C 13 33.758 0.300 . 1 . . . . 15 LYS CB . 11217 1
122 . 1 1 15 15 LYS CD C 13 29.722 0.300 . 1 . . . . 15 LYS CD . 11217 1
123 . 1 1 15 15 LYS CE C 13 42.053 0.300 . 1 . . . . 15 LYS CE . 11217 1
124 . 1 1 15 15 LYS CG C 13 25.106 0.300 . 1 . . . . 15 LYS CG . 11217 1
125 . 1 1 15 15 LYS N N 15 117.934 0.300 . 1 . . . . 15 LYS N . 11217 1
126 . 1 1 16 16 PHE H H 1 8.804 0.030 . 1 . . . . 16 PHE H . 11217 1
127 . 1 1 16 16 PHE HA H 1 5.263 0.030 . 1 . . . . 16 PHE HA . 11217 1
128 . 1 1 16 16 PHE HB2 H 1 3.290 0.030 . 2 . . . . 16 PHE HB2 . 11217 1
129 . 1 1 16 16 PHE HB3 H 1 3.132 0.030 . 2 . . . . 16 PHE HB3 . 11217 1
130 . 1 1 16 16 PHE HD1 H 1 7.723 0.030 . 1 . . . . 16 PHE HD1 . 11217 1
131 . 1 1 16 16 PHE HD2 H 1 7.723 0.030 . 1 . . . . 16 PHE HD2 . 11217 1
132 . 1 1 16 16 PHE HE1 H 1 7.580 0.030 . 1 . . . . 16 PHE HE1 . 11217 1
133 . 1 1 16 16 PHE HE2 H 1 7.580 0.030 . 1 . . . . 16 PHE HE2 . 11217 1
134 . 1 1 16 16 PHE HZ H 1 7.583 0.030 . 1 . . . . 16 PHE HZ . 11217 1
135 . 1 1 16 16 PHE C C 13 173.256 0.300 . 1 . . . . 16 PHE C . 11217 1
136 . 1 1 16 16 PHE CA C 13 57.144 0.300 . 1 . . . . 16 PHE CA . 11217 1
137 . 1 1 16 16 PHE CB C 13 43.248 0.300 . 1 . . . . 16 PHE CB . 11217 1
138 . 1 1 16 16 PHE CD1 C 13 132.261 0.300 . 1 . . . . 16 PHE CD1 . 11217 1
139 . 1 1 16 16 PHE CD2 C 13 132.261 0.300 . 1 . . . . 16 PHE CD2 . 11217 1
140 . 1 1 16 16 PHE CE1 C 13 131.352 0.300 . 1 . . . . 16 PHE CE1 . 11217 1
141 . 1 1 16 16 PHE CE2 C 13 131.352 0.300 . 1 . . . . 16 PHE CE2 . 11217 1
142 . 1 1 16 16 PHE CZ C 13 129.976 0.300 . 1 . . . . 16 PHE CZ . 11217 1
143 . 1 1 16 16 PHE N N 15 125.815 0.300 . 1 . . . . 16 PHE N . 11217 1
144 . 1 1 17 17 VAL H H 1 8.084 0.030 . 1 . . . . 17 VAL H . 11217 1
145 . 1 1 17 17 VAL HA H 1 4.316 0.030 . 1 . . . . 17 VAL HA . 11217 1
146 . 1 1 17 17 VAL HB H 1 1.864 0.030 . 1 . . . . 17 VAL HB . 11217 1
147 . 1 1 17 17 VAL HG11 H 1 0.955 0.030 . 1 . . . . 17 VAL HG1 . 11217 1
148 . 1 1 17 17 VAL HG12 H 1 0.955 0.030 . 1 . . . . 17 VAL HG1 . 11217 1
149 . 1 1 17 17 VAL HG13 H 1 0.955 0.030 . 1 . . . . 17 VAL HG1 . 11217 1
150 . 1 1 17 17 VAL HG21 H 1 0.891 0.030 . 1 . . . . 17 VAL HG2 . 11217 1
151 . 1 1 17 17 VAL HG22 H 1 0.891 0.030 . 1 . . . . 17 VAL HG2 . 11217 1
152 . 1 1 17 17 VAL HG23 H 1 0.891 0.030 . 1 . . . . 17 VAL HG2 . 11217 1
153 . 1 1 17 17 VAL C C 13 173.133 0.300 . 1 . . . . 17 VAL C . 11217 1
154 . 1 1 17 17 VAL CA C 13 58.653 0.300 . 1 . . . . 17 VAL CA . 11217 1
155 . 1 1 17 17 VAL CB C 13 32.795 0.300 . 1 . . . . 17 VAL CB . 11217 1
156 . 1 1 17 17 VAL CG1 C 13 21.017 0.300 . 2 . . . . 17 VAL CG1 . 11217 1
157 . 1 1 17 17 VAL CG2 C 13 20.451 0.300 . 2 . . . . 17 VAL CG2 . 11217 1
158 . 1 1 17 17 VAL N N 15 129.271 0.300 . 1 . . . . 17 VAL N . 11217 1
159 . 1 1 18 18 PRO HA H 1 3.934 0.030 . 1 . . . . 18 PRO HA . 11217 1
160 . 1 1 18 18 PRO HB2 H 1 2.181 0.030 . 2 . . . . 18 PRO HB2 . 11217 1
161 . 1 1 18 18 PRO HB3 H 1 1.992 0.030 . 2 . . . . 18 PRO HB3 . 11217 1
162 . 1 1 18 18 PRO HD2 H 1 3.647 0.030 . 2 . . . . 18 PRO HD2 . 11217 1
163 . 1 1 18 18 PRO HD3 H 1 3.689 0.030 . 2 . . . . 18 PRO HD3 . 11217 1
164 . 1 1 18 18 PRO HG2 H 1 1.731 0.030 . 2 . . . . 18 PRO HG2 . 11217 1
165 . 1 1 18 18 PRO HG3 H 1 2.120 0.030 . 2 . . . . 18 PRO HG3 . 11217 1
166 . 1 1 18 18 PRO C C 13 176.070 0.300 . 1 . . . . 18 PRO C . 11217 1
167 . 1 1 18 18 PRO CA C 13 63.381 0.300 . 1 . . . . 18 PRO CA . 11217 1
168 . 1 1 18 18 PRO CB C 13 33.748 0.300 . 1 . . . . 18 PRO CB . 11217 1
169 . 1 1 18 18 PRO CD C 13 50.864 0.300 . 1 . . . . 18 PRO CD . 11217 1
170 . 1 1 18 18 PRO CG C 13 27.492 0.300 . 1 . . . . 18 PRO CG . 11217 1
171 . 1 1 19 19 GLN H H 1 9.467 0.030 . 1 . . . . 19 GLN H . 11217 1
172 . 1 1 19 19 GLN HA H 1 4.394 0.030 . 1 . . . . 19 GLN HA . 11217 1
173 . 1 1 19 19 GLN HB2 H 1 2.210 0.030 . 2 . . . . 19 GLN HB2 . 11217 1
174 . 1 1 19 19 GLN HB3 H 1 2.070 0.030 . 2 . . . . 19 GLN HB3 . 11217 1
175 . 1 1 19 19 GLN HE21 H 1 7.550 0.030 . 2 . . . . 19 GLN HE21 . 11217 1
176 . 1 1 19 19 GLN HE22 H 1 6.859 0.030 . 2 . . . . 19 GLN HE22 . 11217 1
177 . 1 1 19 19 GLN HG2 H 1 2.446 0.030 . 2 . . . . 19 GLN HG2 . 11217 1
178 . 1 1 19 19 GLN HG3 H 1 2.382 0.030 . 2 . . . . 19 GLN HG3 . 11217 1
179 . 1 1 19 19 GLN C C 13 175.877 0.300 . 1 . . . . 19 GLN C . 11217 1
180 . 1 1 19 19 GLN CA C 13 56.096 0.300 . 1 . . . . 19 GLN CA . 11217 1
181 . 1 1 19 19 GLN CB C 13 31.200 0.300 . 1 . . . . 19 GLN CB . 11217 1
182 . 1 1 19 19 GLN CG C 13 34.073 0.300 . 1 . . . . 19 GLN CG . 11217 1
183 . 1 1 19 19 GLN N N 15 121.862 0.300 . 1 . . . . 19 GLN N . 11217 1
184 . 1 1 19 19 GLN NE2 N 15 113.123 0.300 . 1 . . . . 19 GLN NE2 . 11217 1
185 . 1 1 20 20 GLU H H 1 8.234 0.030 . 1 . . . . 20 GLU H . 11217 1
186 . 1 1 20 20 GLU HA H 1 4.595 0.030 . 1 . . . . 20 GLU HA . 11217 1
187 . 1 1 20 20 GLU HB2 H 1 2.229 0.030 . 2 . . . . 20 GLU HB2 . 11217 1
188 . 1 1 20 20 GLU HB3 H 1 1.782 0.030 . 2 . . . . 20 GLU HB3 . 11217 1
189 . 1 1 20 20 GLU HG2 H 1 2.185 0.030 . 2 . . . . 20 GLU HG2 . 11217 1
190 . 1 1 20 20 GLU HG3 H 1 2.267 0.030 . 2 . . . . 20 GLU HG3 . 11217 1
191 . 1 1 20 20 GLU C C 13 177.790 0.300 . 1 . . . . 20 GLU C . 11217 1
192 . 1 1 20 20 GLU CA C 13 54.182 0.300 . 1 . . . . 20 GLU CA . 11217 1
193 . 1 1 20 20 GLU CB C 13 31.885 0.300 . 1 . . . . 20 GLU CB . 11217 1
194 . 1 1 20 20 GLU CG C 13 35.701 0.300 . 1 . . . . 20 GLU CG . 11217 1
195 . 1 1 20 20 GLU N N 15 119.496 0.300 . 1 . . . . 20 GLU N . 11217 1
196 . 1 1 21 21 ASN H H 1 8.918 0.030 . 1 . . . . 21 ASN H . 11217 1
197 . 1 1 21 21 ASN HA H 1 4.439 0.030 . 1 . . . . 21 ASN HA . 11217 1
198 . 1 1 21 21 ASN HB2 H 1 2.862 0.030 . 1 . . . . 21 ASN HB2 . 11217 1
199 . 1 1 21 21 ASN HB3 H 1 2.862 0.030 . 1 . . . . 21 ASN HB3 . 11217 1
200 . 1 1 21 21 ASN HD21 H 1 7.733 0.030 . 2 . . . . 21 ASN HD21 . 11217 1
201 . 1 1 21 21 ASN HD22 H 1 6.981 0.030 . 2 . . . . 21 ASN HD22 . 11217 1
202 . 1 1 21 21 ASN C C 13 176.503 0.300 . 1 . . . . 21 ASN C . 11217 1
203 . 1 1 21 21 ASN CA C 13 56.260 0.300 . 1 . . . . 21 ASN CA . 11217 1
204 . 1 1 21 21 ASN CB C 13 38.542 0.300 . 1 . . . . 21 ASN CB . 11217 1
205 . 1 1 21 21 ASN N N 15 119.372 0.300 . 1 . . . . 21 ASN N . 11217 1
206 . 1 1 21 21 ASN ND2 N 15 113.017 0.300 . 1 . . . . 21 ASN ND2 . 11217 1
207 . 1 1 22 22 GLU H H 1 8.351 0.030 . 1 . . . . 22 GLU H . 11217 1
208 . 1 1 22 22 GLU HA H 1 4.569 0.030 . 1 . . . . 22 GLU HA . 11217 1
209 . 1 1 22 22 GLU HB2 H 1 2.575 0.030 . 2 . . . . 22 GLU HB2 . 11217 1
210 . 1 1 22 22 GLU HB3 H 1 2.236 0.030 . 2 . . . . 22 GLU HB3 . 11217 1
211 . 1 1 22 22 GLU HG2 H 1 2.346 0.030 . 2 . . . . 22 GLU HG2 . 11217 1
212 . 1 1 22 22 GLU HG3 H 1 2.384 0.030 . 2 . . . . 22 GLU HG3 . 11217 1
213 . 1 1 22 22 GLU C C 13 175.668 0.300 . 1 . . . . 22 GLU C . 11217 1
214 . 1 1 22 22 GLU CA C 13 56.848 0.300 . 1 . . . . 22 GLU CA . 11217 1
215 . 1 1 22 22 GLU CB C 13 29.360 0.300 . 1 . . . . 22 GLU CB . 11217 1
216 . 1 1 22 22 GLU CG C 13 37.196 0.300 . 1 . . . . 22 GLU CG . 11217 1
217 . 1 1 22 22 GLU N N 15 115.897 0.300 . 1 . . . . 22 GLU N . 11217 1
218 . 1 1 23 23 ASP H H 1 7.561 0.030 . 1 . . . . 23 ASP H . 11217 1
219 . 1 1 23 23 ASP HA H 1 5.318 0.030 . 1 . . . . 23 ASP HA . 11217 1
220 . 1 1 23 23 ASP HB2 H 1 2.976 0.030 . 2 . . . . 23 ASP HB2 . 11217 1
221 . 1 1 23 23 ASP HB3 H 1 2.917 0.030 . 2 . . . . 23 ASP HB3 . 11217 1
222 . 1 1 23 23 ASP C C 13 175.875 0.300 . 1 . . . . 23 ASP C . 11217 1
223 . 1 1 23 23 ASP CA C 13 54.939 0.300 . 1 . . . . 23 ASP CA . 11217 1
224 . 1 1 23 23 ASP CB C 13 42.286 0.300 . 1 . . . . 23 ASP CB . 11217 1
225 . 1 1 23 23 ASP N N 15 121.363 0.300 . 1 . . . . 23 ASP N . 11217 1
226 . 1 1 24 24 LEU H H 1 9.813 0.030 . 1 . . . . 24 LEU H . 11217 1
227 . 1 1 24 24 LEU HA H 1 4.403 0.030 . 1 . . . . 24 LEU HA . 11217 1
228 . 1 1 24 24 LEU HB2 H 1 1.996 0.030 . 2 . . . . 24 LEU HB2 . 11217 1
229 . 1 1 24 24 LEU HB3 H 1 0.895 0.030 . 2 . . . . 24 LEU HB3 . 11217 1
230 . 1 1 24 24 LEU HD11 H 1 0.617 0.030 . 1 . . . . 24 LEU HD1 . 11217 1
231 . 1 1 24 24 LEU HD12 H 1 0.617 0.030 . 1 . . . . 24 LEU HD1 . 11217 1
232 . 1 1 24 24 LEU HD13 H 1 0.617 0.030 . 1 . . . . 24 LEU HD1 . 11217 1
233 . 1 1 24 24 LEU HD21 H 1 0.737 0.030 . 1 . . . . 24 LEU HD2 . 11217 1
234 . 1 1 24 24 LEU HD22 H 1 0.737 0.030 . 1 . . . . 24 LEU HD2 . 11217 1
235 . 1 1 24 24 LEU HD23 H 1 0.737 0.030 . 1 . . . . 24 LEU HD2 . 11217 1
236 . 1 1 24 24 LEU HG H 1 1.362 0.030 . 1 . . . . 24 LEU HG . 11217 1
237 . 1 1 24 24 LEU C C 13 173.233 0.300 . 1 . . . . 24 LEU C . 11217 1
238 . 1 1 24 24 LEU CA C 13 53.453 0.300 . 1 . . . . 24 LEU CA . 11217 1
239 . 1 1 24 24 LEU CB C 13 44.607 0.300 . 1 . . . . 24 LEU CB . 11217 1
240 . 1 1 24 24 LEU CD1 C 13 25.634 0.300 . 2 . . . . 24 LEU CD1 . 11217 1
241 . 1 1 24 24 LEU CD2 C 13 23.485 0.300 . 2 . . . . 24 LEU CD2 . 11217 1
242 . 1 1 24 24 LEU CG C 13 26.423 0.300 . 1 . . . . 24 LEU CG . 11217 1
243 . 1 1 24 24 LEU N N 15 126.556 0.300 . 1 . . . . 24 LEU N . 11217 1
244 . 1 1 25 25 GLU H H 1 8.177 0.030 . 1 . . . . 25 GLU H . 11217 1
245 . 1 1 25 25 GLU HA H 1 4.427 0.030 . 1 . . . . 25 GLU HA . 11217 1
246 . 1 1 25 25 GLU HB2 H 1 1.951 0.030 . 2 . . . . 25 GLU HB2 . 11217 1
247 . 1 1 25 25 GLU HB3 H 1 1.883 0.030 . 2 . . . . 25 GLU HB3 . 11217 1
248 . 1 1 25 25 GLU HG2 H 1 2.548 0.030 . 2 . . . . 25 GLU HG2 . 11217 1
249 . 1 1 25 25 GLU HG3 H 1 2.172 0.030 . 2 . . . . 25 GLU HG3 . 11217 1
250 . 1 1 25 25 GLU C C 13 176.727 0.300 . 1 . . . . 25 GLU C . 11217 1
251 . 1 1 25 25 GLU CA C 13 56.757 0.300 . 1 . . . . 25 GLU CA . 11217 1
252 . 1 1 25 25 GLU CB C 13 29.679 0.300 . 1 . . . . 25 GLU CB . 11217 1
253 . 1 1 25 25 GLU CG C 13 36.044 0.300 . 1 . . . . 25 GLU CG . 11217 1
254 . 1 1 25 25 GLU N N 15 124.056 0.300 . 1 . . . . 25 GLU N . 11217 1
255 . 1 1 26 26 MET H H 1 8.759 0.030 . 1 . . . . 26 MET H . 11217 1
256 . 1 1 26 26 MET HA H 1 5.077 0.030 . 1 . . . . 26 MET HA . 11217 1
257 . 1 1 26 26 MET HB2 H 1 2.165 0.030 . 2 . . . . 26 MET HB2 . 11217 1
258 . 1 1 26 26 MET HB3 H 1 1.939 0.030 . 2 . . . . 26 MET HB3 . 11217 1
259 . 1 1 26 26 MET HE1 H 1 1.902 0.030 . 1 . . . . 26 MET HE . 11217 1
260 . 1 1 26 26 MET HE2 H 1 1.902 0.030 . 1 . . . . 26 MET HE . 11217 1
261 . 1 1 26 26 MET HE3 H 1 1.902 0.030 . 1 . . . . 26 MET HE . 11217 1
262 . 1 1 26 26 MET HG2 H 1 2.814 0.030 . 2 . . . . 26 MET HG2 . 11217 1
263 . 1 1 26 26 MET HG3 H 1 2.361 0.030 . 2 . . . . 26 MET HG3 . 11217 1
264 . 1 1 26 26 MET C C 13 174.724 0.300 . 1 . . . . 26 MET C . 11217 1
265 . 1 1 26 26 MET CA C 13 54.820 0.300 . 1 . . . . 26 MET CA . 11217 1
266 . 1 1 26 26 MET CB C 13 37.593 0.300 . 1 . . . . 26 MET CB . 11217 1
267 . 1 1 26 26 MET CE C 13 16.910 0.300 . 1 . . . . 26 MET CE . 11217 1
268 . 1 1 26 26 MET CG C 13 30.251 0.300 . 1 . . . . 26 MET CG . 11217 1
269 . 1 1 26 26 MET N N 15 122.152 0.300 . 1 . . . . 26 MET N . 11217 1
270 . 1 1 27 27 ARG H H 1 9.293 0.030 . 1 . . . . 27 ARG H . 11217 1
271 . 1 1 27 27 ARG HA H 1 4.703 0.030 . 1 . . . . 27 ARG HA . 11217 1
272 . 1 1 27 27 ARG HB2 H 1 1.791 0.030 . 2 . . . . 27 ARG HB2 . 11217 1
273 . 1 1 27 27 ARG HB3 H 1 1.692 0.030 . 2 . . . . 27 ARG HB3 . 11217 1
274 . 1 1 27 27 ARG HD2 H 1 3.231 0.030 . 1 . . . . 27 ARG HD2 . 11217 1
275 . 1 1 27 27 ARG HD3 H 1 3.231 0.030 . 1 . . . . 27 ARG HD3 . 11217 1
276 . 1 1 27 27 ARG HG2 H 1 1.636 0.030 . 2 . . . . 27 ARG HG2 . 11217 1
277 . 1 1 27 27 ARG HG3 H 1 1.706 0.030 . 2 . . . . 27 ARG HG3 . 11217 1
278 . 1 1 27 27 ARG C C 13 172.361 0.300 . 1 . . . . 27 ARG C . 11217 1
279 . 1 1 27 27 ARG CA C 13 52.926 0.300 . 1 . . . . 27 ARG CA . 11217 1
280 . 1 1 27 27 ARG CB C 13 30.543 0.300 . 1 . . . . 27 ARG CB . 11217 1
281 . 1 1 27 27 ARG CD C 13 43.231 0.300 . 1 . . . . 27 ARG CD . 11217 1
282 . 1 1 27 27 ARG CG C 13 27.029 0.300 . 1 . . . . 27 ARG CG . 11217 1
283 . 1 1 27 27 ARG N N 15 124.434 0.300 . 1 . . . . 27 ARG N . 11217 1
284 . 1 1 28 28 PRO HA H 1 3.703 0.030 . 1 . . . . 28 PRO HA . 11217 1
285 . 1 1 28 28 PRO HB2 H 1 1.949 0.030 . 2 . . . . 28 PRO HB2 . 11217 1
286 . 1 1 28 28 PRO HB3 H 1 1.807 0.030 . 2 . . . . 28 PRO HB3 . 11217 1
287 . 1 1 28 28 PRO HD2 H 1 3.374 0.030 . 2 . . . . 28 PRO HD2 . 11217 1
288 . 1 1 28 28 PRO HD3 H 1 3.620 0.030 . 2 . . . . 28 PRO HD3 . 11217 1
289 . 1 1 28 28 PRO HG2 H 1 2.207 0.030 . 2 . . . . 28 PRO HG2 . 11217 1
290 . 1 1 28 28 PRO HG3 H 1 1.636 0.030 . 2 . . . . 28 PRO HG3 . 11217 1
291 . 1 1 28 28 PRO C C 13 177.522 0.300 . 1 . . . . 28 PRO C . 11217 1
292 . 1 1 28 28 PRO CA C 13 63.429 0.300 . 1 . . . . 28 PRO CA . 11217 1
293 . 1 1 28 28 PRO CB C 13 30.923 0.300 . 1 . . . . 28 PRO CB . 11217 1
294 . 1 1 28 28 PRO CD C 13 50.087 0.300 . 1 . . . . 28 PRO CD . 11217 1
295 . 1 1 28 28 PRO CG C 13 28.244 0.300 . 1 . . . . 28 PRO CG . 11217 1
296 . 1 1 29 29 GLY H H 1 8.887 0.030 . 1 . . . . 29 GLY H . 11217 1
297 . 1 1 29 29 GLY HA2 H 1 4.418 0.030 . 2 . . . . 29 GLY HA2 . 11217 1
298 . 1 1 29 29 GLY HA3 H 1 3.385 0.030 . 2 . . . . 29 GLY HA3 . 11217 1
299 . 1 1 29 29 GLY C C 13 174.614 0.300 . 1 . . . . 29 GLY C . 11217 1
300 . 1 1 29 29 GLY CA C 13 44.722 0.300 . 1 . . . . 29 GLY CA . 11217 1
301 . 1 1 29 29 GLY N N 15 112.826 0.300 . 1 . . . . 29 GLY N . 11217 1
302 . 1 1 30 30 ASP H H 1 8.116 0.030 . 1 . . . . 30 ASP H . 11217 1
303 . 1 1 30 30 ASP HA H 1 4.530 0.030 . 1 . . . . 30 ASP HA . 11217 1
304 . 1 1 30 30 ASP HB2 H 1 2.717 0.030 . 2 . . . . 30 ASP HB2 . 11217 1
305 . 1 1 30 30 ASP HB3 H 1 2.431 0.030 . 2 . . . . 30 ASP HB3 . 11217 1
306 . 1 1 30 30 ASP C C 13 174.742 0.300 . 1 . . . . 30 ASP C . 11217 1
307 . 1 1 30 30 ASP CA C 13 55.910 0.300 . 1 . . . . 30 ASP CA . 11217 1
308 . 1 1 30 30 ASP CB C 13 42.073 0.300 . 1 . . . . 30 ASP CB . 11217 1
309 . 1 1 30 30 ASP N N 15 122.279 0.300 . 1 . . . . 30 ASP N . 11217 1
310 . 1 1 31 31 ILE H H 1 8.226 0.030 . 1 . . . . 31 ILE H . 11217 1
311 . 1 1 31 31 ILE HA H 1 4.779 0.030 . 1 . . . . 31 ILE HA . 11217 1
312 . 1 1 31 31 ILE HB H 1 1.922 0.030 . 1 . . . . 31 ILE HB . 11217 1
313 . 1 1 31 31 ILE HD11 H 1 0.818 0.030 . 1 . . . . 31 ILE HD1 . 11217 1
314 . 1 1 31 31 ILE HD12 H 1 0.818 0.030 . 1 . . . . 31 ILE HD1 . 11217 1
315 . 1 1 31 31 ILE HD13 H 1 0.818 0.030 . 1 . . . . 31 ILE HD1 . 11217 1
316 . 1 1 31 31 ILE HG12 H 1 1.358 0.030 . 2 . . . . 31 ILE HG12 . 11217 1
317 . 1 1 31 31 ILE HG13 H 1 1.635 0.030 . 2 . . . . 31 ILE HG13 . 11217 1
318 . 1 1 31 31 ILE HG21 H 1 0.887 0.030 . 1 . . . . 31 ILE HG2 . 11217 1
319 . 1 1 31 31 ILE HG22 H 1 0.887 0.030 . 1 . . . . 31 ILE HG2 . 11217 1
320 . 1 1 31 31 ILE HG23 H 1 0.887 0.030 . 1 . . . . 31 ILE HG2 . 11217 1
321 . 1 1 31 31 ILE C C 13 175.686 0.300 . 1 . . . . 31 ILE C . 11217 1
322 . 1 1 31 31 ILE CA C 13 59.684 0.300 . 1 . . . . 31 ILE CA . 11217 1
323 . 1 1 31 31 ILE CB C 13 37.203 0.300 . 1 . . . . 31 ILE CB . 11217 1
324 . 1 1 31 31 ILE CD1 C 13 11.314 0.300 . 1 . . . . 31 ILE CD1 . 11217 1
325 . 1 1 31 31 ILE CG1 C 13 26.981 0.300 . 1 . . . . 31 ILE CG1 . 11217 1
326 . 1 1 31 31 ILE CG2 C 13 17.444 0.300 . 1 . . . . 31 ILE CG2 . 11217 1
327 . 1 1 31 31 ILE N N 15 120.504 0.300 . 1 . . . . 31 ILE N . 11217 1
328 . 1 1 32 32 ILE H H 1 9.401 0.030 . 1 . . . . 32 ILE H . 11217 1
329 . 1 1 32 32 ILE HA H 1 4.551 0.030 . 1 . . . . 32 ILE HA . 11217 1
330 . 1 1 32 32 ILE HB H 1 1.425 0.030 . 1 . . . . 32 ILE HB . 11217 1
331 . 1 1 32 32 ILE HD11 H 1 0.437 0.030 . 1 . . . . 32 ILE HD1 . 11217 1
332 . 1 1 32 32 ILE HD12 H 1 0.437 0.030 . 1 . . . . 32 ILE HD1 . 11217 1
333 . 1 1 32 32 ILE HD13 H 1 0.437 0.030 . 1 . . . . 32 ILE HD1 . 11217 1
334 . 1 1 32 32 ILE HG12 H 1 1.127 0.030 . 2 . . . . 32 ILE HG12 . 11217 1
335 . 1 1 32 32 ILE HG13 H 1 0.552 0.030 . 2 . . . . 32 ILE HG13 . 11217 1
336 . 1 1 32 32 ILE HG21 H 1 0.545 0.030 . 1 . . . . 32 ILE HG2 . 11217 1
337 . 1 1 32 32 ILE HG22 H 1 0.545 0.030 . 1 . . . . 32 ILE HG2 . 11217 1
338 . 1 1 32 32 ILE HG23 H 1 0.545 0.030 . 1 . . . . 32 ILE HG2 . 11217 1
339 . 1 1 32 32 ILE C C 13 176.724 0.300 . 1 . . . . 32 ILE C . 11217 1
340 . 1 1 32 32 ILE CA C 13 59.813 0.300 . 1 . . . . 32 ILE CA . 11217 1
341 . 1 1 32 32 ILE CB C 13 42.603 0.300 . 1 . . . . 32 ILE CB . 11217 1
342 . 1 1 32 32 ILE CD1 C 13 16.994 0.300 . 1 . . . . 32 ILE CD1 . 11217 1
343 . 1 1 32 32 ILE CG1 C 13 29.351 0.300 . 1 . . . . 32 ILE CG1 . 11217 1
344 . 1 1 32 32 ILE CG2 C 13 19.060 0.300 . 1 . . . . 32 ILE CG2 . 11217 1
345 . 1 1 32 32 ILE N N 15 130.022 0.300 . 1 . . . . 32 ILE N . 11217 1
346 . 1 1 33 33 THR H H 1 9.011 0.030 . 1 . . . . 33 THR H . 11217 1
347 . 1 1 33 33 THR HA H 1 4.788 0.030 . 1 . . . . 33 THR HA . 11217 1
348 . 1 1 33 33 THR HB H 1 4.017 0.030 . 1 . . . . 33 THR HB . 11217 1
349 . 1 1 33 33 THR HG21 H 1 1.179 0.030 . 1 . . . . 33 THR HG2 . 11217 1
350 . 1 1 33 33 THR HG22 H 1 1.179 0.030 . 1 . . . . 33 THR HG2 . 11217 1
351 . 1 1 33 33 THR HG23 H 1 1.179 0.030 . 1 . . . . 33 THR HG2 . 11217 1
352 . 1 1 33 33 THR C C 13 174.290 0.300 . 1 . . . . 33 THR C . 11217 1
353 . 1 1 33 33 THR CA C 13 62.162 0.300 . 1 . . . . 33 THR CA . 11217 1
354 . 1 1 33 33 THR CB C 13 69.788 0.300 . 1 . . . . 33 THR CB . 11217 1
355 . 1 1 33 33 THR CG2 C 13 20.879 0.300 . 1 . . . . 33 THR CG2 . 11217 1
356 . 1 1 33 33 THR N N 15 122.930 0.300 . 1 . . . . 33 THR N . 11217 1
357 . 1 1 34 34 LEU H H 1 9.007 0.030 . 1 . . . . 34 LEU H . 11217 1
358 . 1 1 34 34 LEU HA H 1 4.252 0.030 . 1 . . . . 34 LEU HA . 11217 1
359 . 1 1 34 34 LEU HB2 H 1 1.931 0.030 . 2 . . . . 34 LEU HB2 . 11217 1
360 . 1 1 34 34 LEU HB3 H 1 1.402 0.030 . 2 . . . . 34 LEU HB3 . 11217 1
361 . 1 1 34 34 LEU HD11 H 1 0.343 0.030 . 1 . . . . 34 LEU HD1 . 11217 1
362 . 1 1 34 34 LEU HD12 H 1 0.343 0.030 . 1 . . . . 34 LEU HD1 . 11217 1
363 . 1 1 34 34 LEU HD13 H 1 0.343 0.030 . 1 . . . . 34 LEU HD1 . 11217 1
364 . 1 1 34 34 LEU HD21 H 1 0.637 0.030 . 1 . . . . 34 LEU HD2 . 11217 1
365 . 1 1 34 34 LEU HD22 H 1 0.637 0.030 . 1 . . . . 34 LEU HD2 . 11217 1
366 . 1 1 34 34 LEU HD23 H 1 0.637 0.030 . 1 . . . . 34 LEU HD2 . 11217 1
367 . 1 1 34 34 LEU HG H 1 1.256 0.030 . 1 . . . . 34 LEU HG . 11217 1
368 . 1 1 34 34 LEU C C 13 175.877 0.300 . 1 . . . . 34 LEU C . 11217 1
369 . 1 1 34 34 LEU CA C 13 56.120 0.300 . 1 . . . . 34 LEU CA . 11217 1
370 . 1 1 34 34 LEU CB C 13 43.475 0.300 . 1 . . . . 34 LEU CB . 11217 1
371 . 1 1 34 34 LEU CD1 C 13 25.226 0.300 . 2 . . . . 34 LEU CD1 . 11217 1
372 . 1 1 34 34 LEU CD2 C 13 24.351 0.300 . 2 . . . . 34 LEU CD2 . 11217 1
373 . 1 1 34 34 LEU CG C 13 26.976 0.300 . 1 . . . . 34 LEU CG . 11217 1
374 . 1 1 34 34 LEU N N 15 129.960 0.300 . 1 . . . . 34 LEU N . 11217 1
375 . 1 1 35 35 LEU H H 1 9.106 0.030 . 1 . . . . 35 LEU H . 11217 1
376 . 1 1 35 35 LEU HA H 1 4.594 0.030 . 1 . . . . 35 LEU HA . 11217 1
377 . 1 1 35 35 LEU HB2 H 1 1.574 0.030 . 2 . . . . 35 LEU HB2 . 11217 1
378 . 1 1 35 35 LEU HB3 H 1 1.239 0.030 . 2 . . . . 35 LEU HB3 . 11217 1
379 . 1 1 35 35 LEU HD11 H 1 0.807 0.030 . 1 . . . . 35 LEU HD1 . 11217 1
380 . 1 1 35 35 LEU HD12 H 1 0.807 0.030 . 1 . . . . 35 LEU HD1 . 11217 1
381 . 1 1 35 35 LEU HD13 H 1 0.807 0.030 . 1 . . . . 35 LEU HD1 . 11217 1
382 . 1 1 35 35 LEU HD21 H 1 0.839 0.030 . 1 . . . . 35 LEU HD2 . 11217 1
383 . 1 1 35 35 LEU HD22 H 1 0.839 0.030 . 1 . . . . 35 LEU HD2 . 11217 1
384 . 1 1 35 35 LEU HD23 H 1 0.839 0.030 . 1 . . . . 35 LEU HD2 . 11217 1
385 . 1 1 35 35 LEU HG H 1 1.619 0.030 . 1 . . . . 35 LEU HG . 11217 1
386 . 1 1 35 35 LEU C C 13 176.894 0.300 . 1 . . . . 35 LEU C . 11217 1
387 . 1 1 35 35 LEU CA C 13 55.653 0.300 . 1 . . . . 35 LEU CA . 11217 1
388 . 1 1 35 35 LEU CB C 13 43.742 0.300 . 1 . . . . 35 LEU CB . 11217 1
389 . 1 1 35 35 LEU CD1 C 13 26.367 0.300 . 2 . . . . 35 LEU CD1 . 11217 1
390 . 1 1 35 35 LEU CD2 C 13 22.479 0.300 . 2 . . . . 35 LEU CD2 . 11217 1
391 . 1 1 35 35 LEU CG C 13 27.182 0.300 . 1 . . . . 35 LEU CG . 11217 1
392 . 1 1 35 35 LEU N N 15 125.662 0.300 . 1 . . . . 35 LEU N . 11217 1
393 . 1 1 36 36 GLU H H 1 7.724 0.030 . 1 . . . . 36 GLU H . 11217 1
394 . 1 1 36 36 GLU HA H 1 4.516 0.030 . 1 . . . . 36 GLU HA . 11217 1
395 . 1 1 36 36 GLU HB2 H 1 2.122 0.030 . 2 . . . . 36 GLU HB2 . 11217 1
396 . 1 1 36 36 GLU HB3 H 1 1.877 0.030 . 2 . . . . 36 GLU HB3 . 11217 1
397 . 1 1 36 36 GLU HG2 H 1 2.295 0.030 . 2 . . . . 36 GLU HG2 . 11217 1
398 . 1 1 36 36 GLU HG3 H 1 2.160 0.030 . 2 . . . . 36 GLU HG3 . 11217 1
399 . 1 1 36 36 GLU C C 13 174.187 0.300 . 1 . . . . 36 GLU C . 11217 1
400 . 1 1 36 36 GLU CA C 13 56.344 0.300 . 1 . . . . 36 GLU CA . 11217 1
401 . 1 1 36 36 GLU CB C 13 33.879 0.300 . 1 . . . . 36 GLU CB . 11217 1
402 . 1 1 36 36 GLU CG C 13 36.277 0.300 . 1 . . . . 36 GLU CG . 11217 1
403 . 1 1 36 36 GLU N N 15 116.775 0.300 . 1 . . . . 36 GLU N . 11217 1
404 . 1 1 37 37 ASP H H 1 8.387 0.030 . 1 . . . . 37 ASP H . 11217 1
405 . 1 1 37 37 ASP HA H 1 4.331 0.030 . 1 . . . . 37 ASP HA . 11217 1
406 . 1 1 37 37 ASP HB2 H 1 1.900 0.030 . 2 . . . . 37 ASP HB2 . 11217 1
407 . 1 1 37 37 ASP HB3 H 1 1.420 0.030 . 2 . . . . 37 ASP HB3 . 11217 1
408 . 1 1 37 37 ASP C C 13 175.731 0.300 . 1 . . . . 37 ASP C . 11217 1
409 . 1 1 37 37 ASP CA C 13 52.848 0.300 . 1 . . . . 37 ASP CA . 11217 1
410 . 1 1 37 37 ASP CB C 13 39.395 0.300 . 1 . . . . 37 ASP CB . 11217 1
411 . 1 1 37 37 ASP N N 15 124.022 0.300 . 1 . . . . 37 ASP N . 11217 1
412 . 1 1 38 38 SER H H 1 7.767 0.030 . 1 . . . . 38 SER H . 11217 1
413 . 1 1 38 38 SER HA H 1 4.262 0.030 . 1 . . . . 38 SER HA . 11217 1
414 . 1 1 38 38 SER HB2 H 1 3.953 0.030 . 2 . . . . 38 SER HB2 . 11217 1
415 . 1 1 38 38 SER HB3 H 1 3.799 0.030 . 2 . . . . 38 SER HB3 . 11217 1
416 . 1 1 38 38 SER C C 13 174.545 0.300 . 1 . . . . 38 SER C . 11217 1
417 . 1 1 38 38 SER CA C 13 60.048 0.300 . 1 . . . . 38 SER CA . 11217 1
418 . 1 1 38 38 SER CB C 13 63.509 0.300 . 1 . . . . 38 SER CB . 11217 1
419 . 1 1 38 38 SER N N 15 114.402 0.300 . 1 . . . . 38 SER N . 11217 1
420 . 1 1 39 39 ASN H H 1 8.734 0.030 . 1 . . . . 39 ASN H . 11217 1
421 . 1 1 39 39 ASN HA H 1 4.987 0.030 . 1 . . . . 39 ASN HA . 11217 1
422 . 1 1 39 39 ASN HB2 H 1 3.392 0.030 . 2 . . . . 39 ASN HB2 . 11217 1
423 . 1 1 39 39 ASN HB3 H 1 2.936 0.030 . 2 . . . . 39 ASN HB3 . 11217 1
424 . 1 1 39 39 ASN HD21 H 1 7.130 0.030 . 2 . . . . 39 ASN HD21 . 11217 1
425 . 1 1 39 39 ASN HD22 H 1 7.786 0.030 . 2 . . . . 39 ASN HD22 . 11217 1
426 . 1 1 39 39 ASN C C 13 174.546 0.300 . 1 . . . . 39 ASN C . 11217 1
427 . 1 1 39 39 ASN CA C 13 52.839 0.300 . 1 . . . . 39 ASN CA . 11217 1
428 . 1 1 39 39 ASN CB C 13 40.393 0.300 . 1 . . . . 39 ASN CB . 11217 1
429 . 1 1 39 39 ASN N N 15 121.921 0.300 . 1 . . . . 39 ASN N . 11217 1
430 . 1 1 39 39 ASN ND2 N 15 114.224 0.300 . 1 . . . . 39 ASN ND2 . 11217 1
431 . 1 1 40 40 GLU H H 1 8.675 0.030 . 1 . . . . 40 GLU H . 11217 1
432 . 1 1 40 40 GLU HA H 1 4.289 0.030 . 1 . . . . 40 GLU HA . 11217 1
433 . 1 1 40 40 GLU HB2 H 1 2.113 0.030 . 2 . . . . 40 GLU HB2 . 11217 1
434 . 1 1 40 40 GLU HB3 H 1 2.019 0.030 . 2 . . . . 40 GLU HB3 . 11217 1
435 . 1 1 40 40 GLU HG2 H 1 2.368 0.030 . 2 . . . . 40 GLU HG2 . 11217 1
436 . 1 1 40 40 GLU HG3 H 1 2.336 0.030 . 2 . . . . 40 GLU HG3 . 11217 1
437 . 1 1 40 40 GLU C C 13 176.053 0.300 . 1 . . . . 40 GLU C . 11217 1
438 . 1 1 40 40 GLU CA C 13 58.075 0.300 . 1 . . . . 40 GLU CA . 11217 1
439 . 1 1 40 40 GLU CB C 13 30.310 0.300 . 1 . . . . 40 GLU CB . 11217 1
440 . 1 1 40 40 GLU CG C 13 36.372 0.300 . 1 . . . . 40 GLU CG . 11217 1
441 . 1 1 40 40 GLU N N 15 119.313 0.300 . 1 . . . . 40 GLU N . 11217 1
442 . 1 1 41 41 ASP H H 1 8.246 0.030 . 1 . . . . 41 ASP H . 11217 1
443 . 1 1 41 41 ASP HA H 1 4.413 0.030 . 1 . . . . 41 ASP HA . 11217 1
444 . 1 1 41 41 ASP HB2 H 1 2.530 0.030 . 2 . . . . 41 ASP HB2 . 11217 1
445 . 1 1 41 41 ASP HB3 H 1 2.344 0.030 . 2 . . . . 41 ASP HB3 . 11217 1
446 . 1 1 41 41 ASP C C 13 176.314 0.300 . 1 . . . . 41 ASP C . 11217 1
447 . 1 1 41 41 ASP CA C 13 55.243 0.300 . 1 . . . . 41 ASP CA . 11217 1
448 . 1 1 41 41 ASP CB C 13 42.673 0.300 . 1 . . . . 41 ASP CB . 11217 1
449 . 1 1 41 41 ASP N N 15 114.663 0.300 . 1 . . . . 41 ASP N . 11217 1
450 . 1 1 42 42 TRP H H 1 7.840 0.030 . 1 . . . . 42 TRP H . 11217 1
451 . 1 1 42 42 TRP HA H 1 4.804 0.030 . 1 . . . . 42 TRP HA . 11217 1
452 . 1 1 42 42 TRP HB2 H 1 2.900 0.030 . 2 . . . . 42 TRP HB2 . 11217 1
453 . 1 1 42 42 TRP HB3 H 1 2.784 0.030 . 2 . . . . 42 TRP HB3 . 11217 1
454 . 1 1 42 42 TRP HD1 H 1 7.003 0.030 . 1 . . . . 42 TRP HD1 . 11217 1
455 . 1 1 42 42 TRP HE1 H 1 9.903 0.030 . 1 . . . . 42 TRP HE1 . 11217 1
456 . 1 1 42 42 TRP HE3 H 1 7.089 0.030 . 1 . . . . 42 TRP HE3 . 11217 1
457 . 1 1 42 42 TRP HH2 H 1 7.203 0.030 . 1 . . . . 42 TRP HH2 . 11217 1
458 . 1 1 42 42 TRP HZ2 H 1 7.424 0.030 . 1 . . . . 42 TRP HZ2 . 11217 1
459 . 1 1 42 42 TRP HZ3 H 1 6.647 0.030 . 1 . . . . 42 TRP HZ3 . 11217 1
460 . 1 1 42 42 TRP C C 13 174.142 0.300 . 1 . . . . 42 TRP C . 11217 1
461 . 1 1 42 42 TRP CA C 13 56.288 0.300 . 1 . . . . 42 TRP CA . 11217 1
462 . 1 1 42 42 TRP CB C 13 31.300 0.300 . 1 . . . . 42 TRP CB . 11217 1
463 . 1 1 42 42 TRP CD1 C 13 126.980 0.300 . 1 . . . . 42 TRP CD1 . 11217 1
464 . 1 1 42 42 TRP CE3 C 13 119.484 0.300 . 1 . . . . 42 TRP CE3 . 11217 1
465 . 1 1 42 42 TRP CH2 C 13 124.295 0.300 . 1 . . . . 42 TRP CH2 . 11217 1
466 . 1 1 42 42 TRP CZ2 C 13 114.693 0.300 . 1 . . . . 42 TRP CZ2 . 11217 1
467 . 1 1 42 42 TRP CZ3 C 13 120.667 0.300 . 1 . . . . 42 TRP CZ3 . 11217 1
468 . 1 1 42 42 TRP N N 15 123.040 0.300 . 1 . . . . 42 TRP N . 11217 1
469 . 1 1 42 42 TRP NE1 N 15 128.655 0.300 . 1 . . . . 42 TRP NE1 . 11217 1
470 . 1 1 43 43 TRP H H 1 8.253 0.030 . 1 . . . . 43 TRP H . 11217 1
471 . 1 1 43 43 TRP HA H 1 5.147 0.030 . 1 . . . . 43 TRP HA . 11217 1
472 . 1 1 43 43 TRP HB2 H 1 2.720 0.030 . 2 . . . . 43 TRP HB2 . 11217 1
473 . 1 1 43 43 TRP HB3 H 1 1.852 0.030 . 2 . . . . 43 TRP HB3 . 11217 1
474 . 1 1 43 43 TRP HD1 H 1 7.152 0.030 . 1 . . . . 43 TRP HD1 . 11217 1
475 . 1 1 43 43 TRP HE1 H 1 9.233 0.030 . 1 . . . . 43 TRP HE1 . 11217 1
476 . 1 1 43 43 TRP HE3 H 1 7.033 0.030 . 1 . . . . 43 TRP HE3 . 11217 1
477 . 1 1 43 43 TRP HH2 H 1 7.072 0.030 . 1 . . . . 43 TRP HH2 . 11217 1
478 . 1 1 43 43 TRP HZ2 H 1 7.353 0.030 . 1 . . . . 43 TRP HZ2 . 11217 1
479 . 1 1 43 43 TRP HZ3 H 1 6.164 0.030 . 1 . . . . 43 TRP HZ3 . 11217 1
480 . 1 1 43 43 TRP C C 13 173.062 0.300 . 1 . . . . 43 TRP C . 11217 1
481 . 1 1 43 43 TRP CA C 13 52.820 0.300 . 1 . . . . 43 TRP CA . 11217 1
482 . 1 1 43 43 TRP CB C 13 33.765 0.300 . 1 . . . . 43 TRP CB . 11217 1
483 . 1 1 43 43 TRP CD1 C 13 123.909 0.300 . 1 . . . . 43 TRP CD1 . 11217 1
484 . 1 1 43 43 TRP CE3 C 13 120.647 0.300 . 1 . . . . 43 TRP CE3 . 11217 1
485 . 1 1 43 43 TRP CH2 C 13 123.471 0.300 . 1 . . . . 43 TRP CH2 . 11217 1
486 . 1 1 43 43 TRP CZ2 C 13 114.081 0.300 . 1 . . . . 43 TRP CZ2 . 11217 1
487 . 1 1 43 43 TRP CZ3 C 13 120.679 0.300 . 1 . . . . 43 TRP CZ3 . 11217 1
488 . 1 1 43 43 TRP N N 15 126.150 0.300 . 1 . . . . 43 TRP N . 11217 1
489 . 1 1 43 43 TRP NE1 N 15 127.349 0.300 . 1 . . . . 43 TRP NE1 . 11217 1
490 . 1 1 44 44 LYS H H 1 8.696 0.030 . 1 . . . . 44 LYS H . 11217 1
491 . 1 1 44 44 LYS HA H 1 4.797 0.030 . 1 . . . . 44 LYS HA . 11217 1
492 . 1 1 44 44 LYS HB2 H 1 1.492 0.030 . 2 . . . . 44 LYS HB2 . 11217 1
493 . 1 1 44 44 LYS HB3 H 1 1.247 0.030 . 2 . . . . 44 LYS HB3 . 11217 1
494 . 1 1 44 44 LYS HD2 H 1 1.306 0.030 . 1 . . . . 44 LYS HD2 . 11217 1
495 . 1 1 44 44 LYS HD3 H 1 1.306 0.030 . 1 . . . . 44 LYS HD3 . 11217 1
496 . 1 1 44 44 LYS HE2 H 1 2.431 0.030 . 2 . . . . 44 LYS HE2 . 11217 1
497 . 1 1 44 44 LYS HE3 H 1 2.504 0.030 . 2 . . . . 44 LYS HE3 . 11217 1
498 . 1 1 44 44 LYS HG2 H 1 0.919 0.030 . 2 . . . . 44 LYS HG2 . 11217 1
499 . 1 1 44 44 LYS HG3 H 1 0.278 0.030 . 2 . . . . 44 LYS HG3 . 11217 1
500 . 1 1 44 44 LYS C C 13 176.799 0.300 . 1 . . . . 44 LYS C . 11217 1
501 . 1 1 44 44 LYS CA C 13 54.403 0.300 . 1 . . . . 44 LYS CA . 11217 1
502 . 1 1 44 44 LYS CB C 13 36.248 0.300 . 1 . . . . 44 LYS CB . 11217 1
503 . 1 1 44 44 LYS CD C 13 29.358 0.300 . 1 . . . . 44 LYS CD . 11217 1
504 . 1 1 44 44 LYS CE C 13 41.879 0.300 . 1 . . . . 44 LYS CE . 11217 1
505 . 1 1 44 44 LYS CG C 13 25.588 0.300 . 1 . . . . 44 LYS CG . 11217 1
506 . 1 1 44 44 LYS N N 15 119.453 0.300 . 1 . . . . 44 LYS N . 11217 1
507 . 1 1 45 45 GLY H H 1 9.432 0.030 . 1 . . . . 45 GLY H . 11217 1
508 . 1 1 45 45 GLY HA2 H 1 4.984 0.030 . 2 . . . . 45 GLY HA2 . 11217 1
509 . 1 1 45 45 GLY HA3 H 1 3.789 0.030 . 2 . . . . 45 GLY HA3 . 11217 1
510 . 1 1 45 45 GLY C C 13 168.955 0.300 . 1 . . . . 45 GLY C . 11217 1
511 . 1 1 45 45 GLY CA C 13 45.640 0.300 . 1 . . . . 45 GLY CA . 11217 1
512 . 1 1 45 45 GLY N N 15 114.662 0.300 . 1 . . . . 45 GLY N . 11217 1
513 . 1 1 46 46 LYS H H 1 8.566 0.030 . 1 . . . . 46 LYS H . 11217 1
514 . 1 1 46 46 LYS HA H 1 5.770 0.030 . 1 . . . . 46 LYS HA . 11217 1
515 . 1 1 46 46 LYS HB2 H 1 1.722 0.030 . 2 . . . . 46 LYS HB2 . 11217 1
516 . 1 1 46 46 LYS HB3 H 1 1.546 0.030 . 2 . . . . 46 LYS HB3 . 11217 1
517 . 1 1 46 46 LYS HD2 H 1 1.651 0.030 . 1 . . . . 46 LYS HD2 . 11217 1
518 . 1 1 46 46 LYS HD3 H 1 1.651 0.030 . 1 . . . . 46 LYS HD3 . 11217 1
519 . 1 1 46 46 LYS HE2 H 1 3.012 0.030 . 2 . . . . 46 LYS HE2 . 11217 1
520 . 1 1 46 46 LYS HE3 H 1 2.945 0.030 . 2 . . . . 46 LYS HE3 . 11217 1
521 . 1 1 46 46 LYS HG2 H 1 1.299 0.030 . 1 . . . . 46 LYS HG2 . 11217 1
522 . 1 1 46 46 LYS HG3 H 1 1.299 0.030 . 1 . . . . 46 LYS HG3 . 11217 1
523 . 1 1 46 46 LYS C C 13 175.695 0.300 . 1 . . . . 46 LYS C . 11217 1
524 . 1 1 46 46 LYS CA C 13 54.035 0.300 . 1 . . . . 46 LYS CA . 11217 1
525 . 1 1 46 46 LYS CB C 13 37.919 0.300 . 1 . . . . 46 LYS CB . 11217 1
526 . 1 1 46 46 LYS CD C 13 30.135 0.300 . 1 . . . . 46 LYS CD . 11217 1
527 . 1 1 46 46 LYS CE C 13 42.018 0.300 . 1 . . . . 46 LYS CE . 11217 1
528 . 1 1 46 46 LYS CG C 13 24.351 0.300 . 1 . . . . 46 LYS CG . 11217 1
529 . 1 1 46 46 LYS N N 15 118.959 0.300 . 1 . . . . 46 LYS N . 11217 1
530 . 1 1 47 47 ILE H H 1 8.804 0.030 . 1 . . . . 47 ILE H . 11217 1
531 . 1 1 47 47 ILE HA H 1 4.336 0.030 . 1 . . . . 47 ILE HA . 11217 1
532 . 1 1 47 47 ILE HB H 1 1.588 0.030 . 1 . . . . 47 ILE HB . 11217 1
533 . 1 1 47 47 ILE HD11 H 1 0.869 0.030 . 1 . . . . 47 ILE HD1 . 11217 1
534 . 1 1 47 47 ILE HD12 H 1 0.869 0.030 . 1 . . . . 47 ILE HD1 . 11217 1
535 . 1 1 47 47 ILE HD13 H 1 0.869 0.030 . 1 . . . . 47 ILE HD1 . 11217 1
536 . 1 1 47 47 ILE HG12 H 1 1.452 0.030 . 2 . . . . 47 ILE HG12 . 11217 1
537 . 1 1 47 47 ILE HG13 H 1 0.992 0.030 . 2 . . . . 47 ILE HG13 . 11217 1
538 . 1 1 47 47 ILE HG21 H 1 0.951 0.030 . 1 . . . . 47 ILE HG2 . 11217 1
539 . 1 1 47 47 ILE HG22 H 1 0.951 0.030 . 1 . . . . 47 ILE HG2 . 11217 1
540 . 1 1 47 47 ILE HG23 H 1 0.951 0.030 . 1 . . . . 47 ILE HG2 . 11217 1
541 . 1 1 47 47 ILE C C 13 175.553 0.300 . 1 . . . . 47 ILE C . 11217 1
542 . 1 1 47 47 ILE CA C 13 61.272 0.300 . 1 . . . . 47 ILE CA . 11217 1
543 . 1 1 47 47 ILE CB C 13 41.281 0.300 . 1 . . . . 47 ILE CB . 11217 1
544 . 1 1 47 47 ILE CD1 C 13 14.451 0.300 . 1 . . . . 47 ILE CD1 . 11217 1
545 . 1 1 47 47 ILE CG1 C 13 28.233 0.300 . 1 . . . . 47 ILE CG1 . 11217 1
546 . 1 1 47 47 ILE CG2 C 13 17.522 0.300 . 1 . . . . 47 ILE CG2 . 11217 1
547 . 1 1 47 47 ILE N N 15 126.207 0.300 . 1 . . . . 47 ILE N . 11217 1
548 . 1 1 48 48 GLN H H 1 9.120 0.030 . 1 . . . . 48 GLN H . 11217 1
549 . 1 1 48 48 GLN HA H 1 3.755 0.030 . 1 . . . . 48 GLN HA . 11217 1
550 . 1 1 48 48 GLN HB2 H 1 2.466 0.030 . 2 . . . . 48 GLN HB2 . 11217 1
551 . 1 1 48 48 GLN HB3 H 1 2.198 0.030 . 2 . . . . 48 GLN HB3 . 11217 1
552 . 1 1 48 48 GLN HE21 H 1 7.570 0.030 . 2 . . . . 48 GLN HE21 . 11217 1
553 . 1 1 48 48 GLN HE22 H 1 6.911 0.030 . 2 . . . . 48 GLN HE22 . 11217 1
554 . 1 1 48 48 GLN HG2 H 1 2.479 0.030 . 1 . . . . 48 GLN HG2 . 11217 1
555 . 1 1 48 48 GLN HG3 H 1 2.479 0.030 . 1 . . . . 48 GLN HG3 . 11217 1
556 . 1 1 48 48 GLN C C 13 174.644 0.300 . 1 . . . . 48 GLN C . 11217 1
557 . 1 1 48 48 GLN CA C 13 58.557 0.300 . 1 . . . . 48 GLN CA . 11217 1
558 . 1 1 48 48 GLN CB C 13 26.044 0.300 . 1 . . . . 48 GLN CB . 11217 1
559 . 1 1 48 48 GLN CG C 13 34.385 0.300 . 1 . . . . 48 GLN CG . 11217 1
560 . 1 1 48 48 GLN N N 15 123.525 0.300 . 1 . . . . 48 GLN N . 11217 1
561 . 1 1 48 48 GLN NE2 N 15 112.413 0.300 . 1 . . . . 48 GLN NE2 . 11217 1
562 . 1 1 49 49 ASP H H 1 8.569 0.030 . 1 . . . . 49 ASP H . 11217 1
563 . 1 1 49 49 ASP HA H 1 4.779 0.030 . 1 . . . . 49 ASP HA . 11217 1
564 . 1 1 49 49 ASP HB2 H 1 2.784 0.030 . 1 . . . . 49 ASP HB2 . 11217 1
565 . 1 1 49 49 ASP HB3 H 1 2.784 0.030 . 1 . . . . 49 ASP HB3 . 11217 1
566 . 1 1 49 49 ASP C C 13 175.767 0.300 . 1 . . . . 49 ASP C . 11217 1
567 . 1 1 49 49 ASP CA C 13 54.125 0.300 . 1 . . . . 49 ASP CA . 11217 1
568 . 1 1 49 49 ASP CB C 13 40.923 0.300 . 1 . . . . 49 ASP CB . 11217 1
569 . 1 1 49 49 ASP N N 15 120.492 0.300 . 1 . . . . 49 ASP N . 11217 1
570 . 1 1 50 50 ARG H H 1 8.628 0.030 . 1 . . . . 50 ARG H . 11217 1
571 . 1 1 50 50 ARG HA H 1 4.548 0.030 . 1 . . . . 50 ARG HA . 11217 1
572 . 1 1 50 50 ARG HB2 H 1 2.075 0.030 . 2 . . . . 50 ARG HB2 . 11217 1
573 . 1 1 50 50 ARG HB3 H 1 1.746 0.030 . 2 . . . . 50 ARG HB3 . 11217 1
574 . 1 1 50 50 ARG HD2 H 1 3.383 0.030 . 1 . . . . 50 ARG HD2 . 11217 1
575 . 1 1 50 50 ARG HD3 H 1 3.383 0.030 . 1 . . . . 50 ARG HD3 . 11217 1
576 . 1 1 50 50 ARG HE H 1 7.252 0.030 . 1 . . . . 50 ARG HE . 11217 1
577 . 1 1 50 50 ARG HG2 H 1 1.787 0.030 . 2 . . . . 50 ARG HG2 . 11217 1
578 . 1 1 50 50 ARG HG3 H 1 1.657 0.030 . 2 . . . . 50 ARG HG3 . 11217 1
579 . 1 1 50 50 ARG C C 13 174.206 0.300 . 1 . . . . 50 ARG C . 11217 1
580 . 1 1 50 50 ARG CA C 13 56.272 0.300 . 1 . . . . 50 ARG CA . 11217 1
581 . 1 1 50 50 ARG CB C 13 31.884 0.300 . 1 . . . . 50 ARG CB . 11217 1
582 . 1 1 50 50 ARG CD C 13 43.459 0.300 . 1 . . . . 50 ARG CD . 11217 1
583 . 1 1 50 50 ARG CG C 13 28.201 0.300 . 1 . . . . 50 ARG CG . 11217 1
584 . 1 1 50 50 ARG N N 15 122.796 0.300 . 1 . . . . 50 ARG N . 11217 1
585 . 1 1 50 50 ARG NE N 15 84.339 0.300 . 1 . . . . 50 ARG NE . 11217 1
586 . 1 1 51 51 ILE H H 1 8.249 0.030 . 1 . . . . 51 ILE H . 11217 1
587 . 1 1 51 51 ILE HA H 1 5.226 0.030 . 1 . . . . 51 ILE HA . 11217 1
588 . 1 1 51 51 ILE HB H 1 1.581 0.030 . 1 . . . . 51 ILE HB . 11217 1
589 . 1 1 51 51 ILE HD11 H 1 0.834 0.030 . 1 . . . . 51 ILE HD1 . 11217 1
590 . 1 1 51 51 ILE HD12 H 1 0.834 0.030 . 1 . . . . 51 ILE HD1 . 11217 1
591 . 1 1 51 51 ILE HD13 H 1 0.834 0.030 . 1 . . . . 51 ILE HD1 . 11217 1
592 . 1 1 51 51 ILE HG12 H 1 1.522 0.030 . 2 . . . . 51 ILE HG12 . 11217 1
593 . 1 1 51 51 ILE HG13 H 1 0.866 0.030 . 2 . . . . 51 ILE HG13 . 11217 1
594 . 1 1 51 51 ILE HG21 H 1 0.753 0.030 . 1 . . . . 51 ILE HG2 . 11217 1
595 . 1 1 51 51 ILE HG22 H 1 0.753 0.030 . 1 . . . . 51 ILE HG2 . 11217 1
596 . 1 1 51 51 ILE HG23 H 1 0.753 0.030 . 1 . . . . 51 ILE HG2 . 11217 1
597 . 1 1 51 51 ILE C C 13 176.958 0.300 . 1 . . . . 51 ILE C . 11217 1
598 . 1 1 51 51 ILE CA C 13 59.329 0.300 . 1 . . . . 51 ILE CA . 11217 1
599 . 1 1 51 51 ILE CB C 13 42.017 0.300 . 1 . . . . 51 ILE CB . 11217 1
600 . 1 1 51 51 ILE CD1 C 13 13.932 0.300 . 1 . . . . 51 ILE CD1 . 11217 1
601 . 1 1 51 51 ILE CG1 C 13 28.062 0.300 . 1 . . . . 51 ILE CG1 . 11217 1
602 . 1 1 51 51 ILE CG2 C 13 17.606 0.300 . 1 . . . . 51 ILE CG2 . 11217 1
603 . 1 1 51 51 ILE N N 15 120.103 0.300 . 1 . . . . 51 ILE N . 11217 1
604 . 1 1 52 52 GLY H H 1 8.794 0.030 . 1 . . . . 52 GLY H . 11217 1
605 . 1 1 52 52 GLY HA2 H 1 4.220 0.030 . 2 . . . . 52 GLY HA2 . 11217 1
606 . 1 1 52 52 GLY HA3 H 1 4.076 0.030 . 2 . . . . 52 GLY HA3 . 11217 1
607 . 1 1 52 52 GLY C C 13 171.132 0.300 . 1 . . . . 52 GLY C . 11217 1
608 . 1 1 52 52 GLY CA C 13 46.035 0.300 . 1 . . . . 52 GLY CA . 11217 1
609 . 1 1 52 52 GLY N N 15 112.608 0.300 . 1 . . . . 52 GLY N . 11217 1
610 . 1 1 53 53 PHE H H 1 9.135 0.030 . 1 . . . . 53 PHE H . 11217 1
611 . 1 1 53 53 PHE HA H 1 5.914 0.030 . 1 . . . . 53 PHE HA . 11217 1
612 . 1 1 53 53 PHE HB2 H 1 3.114 0.030 . 2 . . . . 53 PHE HB2 . 11217 1
613 . 1 1 53 53 PHE HB3 H 1 2.886 0.030 . 2 . . . . 53 PHE HB3 . 11217 1
614 . 1 1 53 53 PHE HD1 H 1 7.162 0.030 . 1 . . . . 53 PHE HD1 . 11217 1
615 . 1 1 53 53 PHE HD2 H 1 7.162 0.030 . 1 . . . . 53 PHE HD2 . 11217 1
616 . 1 1 53 53 PHE HE1 H 1 7.390 0.030 . 1 . . . . 53 PHE HE1 . 11217 1
617 . 1 1 53 53 PHE HE2 H 1 7.390 0.030 . 1 . . . . 53 PHE HE2 . 11217 1
618 . 1 1 53 53 PHE HZ H 1 7.340 0.030 . 1 . . . . 53 PHE HZ . 11217 1
619 . 1 1 53 53 PHE C C 13 175.920 0.300 . 1 . . . . 53 PHE C . 11217 1
620 . 1 1 53 53 PHE CA C 13 57.515 0.300 . 1 . . . . 53 PHE CA . 11217 1
621 . 1 1 53 53 PHE CB C 13 42.357 0.300 . 1 . . . . 53 PHE CB . 11217 1
622 . 1 1 53 53 PHE CD1 C 13 131.942 0.300 . 1 . . . . 53 PHE CD1 . 11217 1
623 . 1 1 53 53 PHE CD2 C 13 131.942 0.300 . 1 . . . . 53 PHE CD2 . 11217 1
624 . 1 1 53 53 PHE CE1 C 13 131.158 0.300 . 1 . . . . 53 PHE CE1 . 11217 1
625 . 1 1 53 53 PHE CE2 C 13 131.158 0.300 . 1 . . . . 53 PHE CE2 . 11217 1
626 . 1 1 53 53 PHE CZ C 13 129.536 0.300 . 1 . . . . 53 PHE CZ . 11217 1
627 . 1 1 53 53 PHE N N 15 119.572 0.300 . 1 . . . . 53 PHE N . 11217 1
628 . 1 1 54 54 PHE H H 1 8.907 0.030 . 1 . . . . 54 PHE H . 11217 1
629 . 1 1 54 54 PHE HA H 1 4.828 0.030 . 1 . . . . 54 PHE HA . 11217 1
630 . 1 1 54 54 PHE HB2 H 1 3.104 0.030 . 2 . . . . 54 PHE HB2 . 11217 1
631 . 1 1 54 54 PHE HB3 H 1 2.610 0.030 . 2 . . . . 54 PHE HB3 . 11217 1
632 . 1 1 54 54 PHE HD1 H 1 6.903 0.030 . 1 . . . . 54 PHE HD1 . 11217 1
633 . 1 1 54 54 PHE HD2 H 1 6.903 0.030 . 1 . . . . 54 PHE HD2 . 11217 1
634 . 1 1 54 54 PHE HE1 H 1 6.818 0.030 . 1 . . . . 54 PHE HE1 . 11217 1
635 . 1 1 54 54 PHE HE2 H 1 6.818 0.030 . 1 . . . . 54 PHE HE2 . 11217 1
636 . 1 1 54 54 PHE HZ H 1 6.939 0.030 . 1 . . . . 54 PHE HZ . 11217 1
637 . 1 1 54 54 PHE C C 13 170.605 0.300 . 1 . . . . 54 PHE C . 11217 1
638 . 1 1 54 54 PHE CA C 13 55.033 0.300 . 1 . . . . 54 PHE CA . 11217 1
639 . 1 1 54 54 PHE CB C 13 39.143 0.300 . 1 . . . . 54 PHE CB . 11217 1
640 . 1 1 54 54 PHE CD1 C 13 133.630 0.300 . 1 . . . . 54 PHE CD1 . 11217 1
641 . 1 1 54 54 PHE CD2 C 13 133.630 0.300 . 1 . . . . 54 PHE CD2 . 11217 1
642 . 1 1 54 54 PHE CE1 C 13 129.484 0.300 . 1 . . . . 54 PHE CE1 . 11217 1
643 . 1 1 54 54 PHE CE2 C 13 129.484 0.300 . 1 . . . . 54 PHE CE2 . 11217 1
644 . 1 1 54 54 PHE CZ C 13 127.856 0.300 . 1 . . . . 54 PHE CZ . 11217 1
645 . 1 1 54 54 PHE N N 15 115.952 0.300 . 1 . . . . 54 PHE N . 11217 1
646 . 1 1 55 55 PRO HA H 1 3.565 0.030 . 1 . . . . 55 PRO HA . 11217 1
647 . 1 1 55 55 PRO HB2 H 1 0.988 0.030 . 2 . . . . 55 PRO HB2 . 11217 1
648 . 1 1 55 55 PRO HB3 H 1 1.209 0.030 . 2 . . . . 55 PRO HB3 . 11217 1
649 . 1 1 55 55 PRO HD2 H 1 1.949 0.030 . 2 . . . . 55 PRO HD2 . 11217 1
650 . 1 1 55 55 PRO HD3 H 1 2.250 0.030 . 2 . . . . 55 PRO HD3 . 11217 1
651 . 1 1 55 55 PRO HG2 H 1 0.498 0.030 . 2 . . . . 55 PRO HG2 . 11217 1
652 . 1 1 55 55 PRO HG3 H 1 0.291 0.030 . 2 . . . . 55 PRO HG3 . 11217 1
653 . 1 1 55 55 PRO C C 13 177.727 0.300 . 1 . . . . 55 PRO C . 11217 1
654 . 1 1 55 55 PRO CA C 13 61.298 0.300 . 1 . . . . 55 PRO CA . 11217 1
655 . 1 1 55 55 PRO CB C 13 30.653 0.300 . 1 . . . . 55 PRO CB . 11217 1
656 . 1 1 55 55 PRO CD C 13 49.768 0.300 . 1 . . . . 55 PRO CD . 11217 1
657 . 1 1 55 55 PRO CG C 13 27.276 0.300 . 1 . . . . 55 PRO CG . 11217 1
658 . 1 1 56 56 ALA H H 1 7.273 0.030 . 1 . . . . 56 ALA H . 11217 1
659 . 1 1 56 56 ALA HA H 1 2.625 0.030 . 1 . . . . 56 ALA HA . 11217 1
660 . 1 1 56 56 ALA HB1 H 1 -0.435 0.030 . 1 . . . . 56 ALA HB . 11217 1
661 . 1 1 56 56 ALA HB2 H 1 -0.435 0.030 . 1 . . . . 56 ALA HB . 11217 1
662 . 1 1 56 56 ALA HB3 H 1 -0.435 0.030 . 1 . . . . 56 ALA HB . 11217 1
663 . 1 1 56 56 ALA C C 13 177.831 0.300 . 1 . . . . 56 ALA C . 11217 1
664 . 1 1 56 56 ALA CA C 13 54.770 0.300 . 1 . . . . 56 ALA CA . 11217 1
665 . 1 1 56 56 ALA CB C 13 16.150 0.300 . 1 . . . . 56 ALA CB . 11217 1
666 . 1 1 56 56 ALA N N 15 128.865 0.300 . 1 . . . . 56 ALA N . 11217 1
667 . 1 1 57 57 ASN H H 1 7.853 0.030 . 1 . . . . 57 ASN H . 11217 1
668 . 1 1 57 57 ASN HA H 1 4.566 0.030 . 1 . . . . 57 ASN HA . 11217 1
669 . 1 1 57 57 ASN HB2 H 1 2.987 0.030 . 2 . . . . 57 ASN HB2 . 11217 1
670 . 1 1 57 57 ASN HB3 H 1 2.701 0.030 . 2 . . . . 57 ASN HB3 . 11217 1
671 . 1 1 57 57 ASN HD21 H 1 6.597 0.030 . 2 . . . . 57 ASN HD21 . 11217 1
672 . 1 1 57 57 ASN HD22 H 1 7.458 0.030 . 2 . . . . 57 ASN HD22 . 11217 1
673 . 1 1 57 57 ASN C C 13 175.922 0.300 . 1 . . . . 57 ASN C . 11217 1
674 . 1 1 57 57 ASN CA C 13 53.140 0.300 . 1 . . . . 57 ASN CA . 11217 1
675 . 1 1 57 57 ASN CB C 13 36.685 0.300 . 1 . . . . 57 ASN CB . 11217 1
676 . 1 1 57 57 ASN N N 15 108.950 0.300 . 1 . . . . 57 ASN N . 11217 1
677 . 1 1 57 57 ASN ND2 N 15 110.370 0.300 . 1 . . . . 57 ASN ND2 . 11217 1
678 . 1 1 58 58 PHE H H 1 8.056 0.030 . 1 . . . . 58 PHE H . 11217 1
679 . 1 1 58 58 PHE HA H 1 4.941 0.030 . 1 . . . . 58 PHE HA . 11217 1
680 . 1 1 58 58 PHE HB2 H 1 3.472 0.030 . 2 . . . . 58 PHE HB2 . 11217 1
681 . 1 1 58 58 PHE HB3 H 1 3.536 0.030 . 2 . . . . 58 PHE HB3 . 11217 1
682 . 1 1 58 58 PHE HD1 H 1 7.081 0.030 . 1 . . . . 58 PHE HD1 . 11217 1
683 . 1 1 58 58 PHE HD2 H 1 7.081 0.030 . 1 . . . . 58 PHE HD2 . 11217 1
684 . 1 1 58 58 PHE HE1 H 1 7.450 0.030 . 1 . . . . 58 PHE HE1 . 11217 1
685 . 1 1 58 58 PHE HE2 H 1 7.450 0.030 . 1 . . . . 58 PHE HE2 . 11217 1
686 . 1 1 58 58 PHE HZ H 1 7.322 0.030 . 1 . . . . 58 PHE HZ . 11217 1
687 . 1 1 58 58 PHE C C 13 174.918 0.300 . 1 . . . . 58 PHE C . 11217 1
688 . 1 1 58 58 PHE CA C 13 56.864 0.300 . 1 . . . . 58 PHE CA . 11217 1
689 . 1 1 58 58 PHE CB C 13 38.765 0.300 . 1 . . . . 58 PHE CB . 11217 1
690 . 1 1 58 58 PHE CD1 C 13 129.559 0.300 . 1 . . . . 58 PHE CD1 . 11217 1
691 . 1 1 58 58 PHE CD2 C 13 129.559 0.300 . 1 . . . . 58 PHE CD2 . 11217 1
692 . 1 1 58 58 PHE CE1 C 13 131.687 0.300 . 1 . . . . 58 PHE CE1 . 11217 1
693 . 1 1 58 58 PHE CE2 C 13 131.687 0.300 . 1 . . . . 58 PHE CE2 . 11217 1
694 . 1 1 58 58 PHE CZ C 13 129.521 0.300 . 1 . . . . 58 PHE CZ . 11217 1
695 . 1 1 58 58 PHE N N 15 119.565 0.300 . 1 . . . . 58 PHE N . 11217 1
696 . 1 1 59 59 VAL H H 1 7.265 0.030 . 1 . . . . 59 VAL H . 11217 1
697 . 1 1 59 59 VAL HA H 1 5.507 0.030 . 1 . . . . 59 VAL HA . 11217 1
698 . 1 1 59 59 VAL HB H 1 2.184 0.030 . 1 . . . . 59 VAL HB . 11217 1
699 . 1 1 59 59 VAL HG11 H 1 0.617 0.030 . 1 . . . . 59 VAL HG1 . 11217 1
700 . 1 1 59 59 VAL HG12 H 1 0.617 0.030 . 1 . . . . 59 VAL HG1 . 11217 1
701 . 1 1 59 59 VAL HG13 H 1 0.617 0.030 . 1 . . . . 59 VAL HG1 . 11217 1
702 . 1 1 59 59 VAL HG21 H 1 1.004 0.030 . 1 . . . . 59 VAL HG2 . 11217 1
703 . 1 1 59 59 VAL HG22 H 1 1.004 0.030 . 1 . . . . 59 VAL HG2 . 11217 1
704 . 1 1 59 59 VAL HG23 H 1 1.004 0.030 . 1 . . . . 59 VAL HG2 . 11217 1
705 . 1 1 59 59 VAL C C 13 174.297 0.300 . 1 . . . . 59 VAL C . 11217 1
706 . 1 1 59 59 VAL CA C 13 58.681 0.300 . 1 . . . . 59 VAL CA . 11217 1
707 . 1 1 59 59 VAL CB C 13 36.251 0.300 . 1 . . . . 59 VAL CB . 11217 1
708 . 1 1 59 59 VAL CG1 C 13 22.587 0.300 . 2 . . . . 59 VAL CG1 . 11217 1
709 . 1 1 59 59 VAL CG2 C 13 19.664 0.300 . 2 . . . . 59 VAL CG2 . 11217 1
710 . 1 1 59 59 VAL N N 15 108.434 0.300 . 1 . . . . 59 VAL N . 11217 1
711 . 1 1 60 60 GLN H H 1 8.793 0.030 . 1 . . . . 60 GLN H . 11217 1
712 . 1 1 60 60 GLN HA H 1 4.969 0.030 . 1 . . . . 60 GLN HA . 11217 1
713 . 1 1 60 60 GLN HB2 H 1 2.041 0.030 . 2 . . . . 60 GLN HB2 . 11217 1
714 . 1 1 60 60 GLN HB3 H 1 1.959 0.030 . 2 . . . . 60 GLN HB3 . 11217 1
715 . 1 1 60 60 GLN HE21 H 1 7.455 0.030 . 2 . . . . 60 GLN HE21 . 11217 1
716 . 1 1 60 60 GLN HE22 H 1 6.850 0.030 . 2 . . . . 60 GLN HE22 . 11217 1
717 . 1 1 60 60 GLN HG2 H 1 2.371 0.030 . 1 . . . . 60 GLN HG2 . 11217 1
718 . 1 1 60 60 GLN HG3 H 1 2.371 0.030 . 1 . . . . 60 GLN HG3 . 11217 1
719 . 1 1 60 60 GLN C C 13 174.579 0.300 . 1 . . . . 60 GLN C . 11217 1
720 . 1 1 60 60 GLN CA C 13 53.910 0.300 . 1 . . . . 60 GLN CA . 11217 1
721 . 1 1 60 60 GLN CB C 13 33.362 0.300 . 1 . . . . 60 GLN CB . 11217 1
722 . 1 1 60 60 GLN CG C 13 33.620 0.300 . 1 . . . . 60 GLN CG . 11217 1
723 . 1 1 60 60 GLN N N 15 118.993 0.300 . 1 . . . . 60 GLN N . 11217 1
724 . 1 1 60 60 GLN NE2 N 15 111.613 0.300 . 1 . . . . 60 GLN NE2 . 11217 1
725 . 1 1 61 61 ARG H H 1 9.147 0.030 . 1 . . . . 61 ARG H . 11217 1
726 . 1 1 61 61 ARG HA H 1 3.482 0.030 . 1 . . . . 61 ARG HA . 11217 1
727 . 1 1 61 61 ARG HB2 H 1 1.739 0.030 . 2 . . . . 61 ARG HB2 . 11217 1
728 . 1 1 61 61 ARG HB3 H 1 1.671 0.030 . 2 . . . . 61 ARG HB3 . 11217 1
729 . 1 1 61 61 ARG HD2 H 1 3.053 0.030 . 1 . . . . 61 ARG HD2 . 11217 1
730 . 1 1 61 61 ARG HD3 H 1 3.053 0.030 . 1 . . . . 61 ARG HD3 . 11217 1
731 . 1 1 61 61 ARG HG2 H 1 1.475 0.030 . 2 . . . . 61 ARG HG2 . 11217 1
732 . 1 1 61 61 ARG HG3 H 1 1.223 0.030 . 2 . . . . 61 ARG HG3 . 11217 1
733 . 1 1 61 61 ARG C C 13 175.888 0.300 . 1 . . . . 61 ARG C . 11217 1
734 . 1 1 61 61 ARG CA C 13 57.613 0.300 . 1 . . . . 61 ARG CA . 11217 1
735 . 1 1 61 61 ARG CB C 13 30.539 0.300 . 1 . . . . 61 ARG CB . 11217 1
736 . 1 1 61 61 ARG CD C 13 43.264 0.300 . 1 . . . . 61 ARG CD . 11217 1
737 . 1 1 61 61 ARG CG C 13 27.294 0.300 . 1 . . . . 61 ARG CG . 11217 1
738 . 1 1 61 61 ARG N N 15 127.850 0.300 . 1 . . . . 61 ARG N . 11217 1
739 . 1 1 62 62 LEU H H 1 8.303 0.030 . 1 . . . . 62 LEU H . 11217 1
740 . 1 1 62 62 LEU HA H 1 4.406 0.030 . 1 . . . . 62 LEU HA . 11217 1
741 . 1 1 62 62 LEU HB2 H 1 1.507 0.030 . 2 . . . . 62 LEU HB2 . 11217 1
742 . 1 1 62 62 LEU HB3 H 1 1.318 0.030 . 2 . . . . 62 LEU HB3 . 11217 1
743 . 1 1 62 62 LEU HD11 H 1 0.830 0.030 . 1 . . . . 62 LEU HD1 . 11217 1
744 . 1 1 62 62 LEU HD12 H 1 0.830 0.030 . 1 . . . . 62 LEU HD1 . 11217 1
745 . 1 1 62 62 LEU HD13 H 1 0.830 0.030 . 1 . . . . 62 LEU HD1 . 11217 1
746 . 1 1 62 62 LEU HD21 H 1 0.840 0.030 . 1 . . . . 62 LEU HD2 . 11217 1
747 . 1 1 62 62 LEU HD22 H 1 0.840 0.030 . 1 . . . . 62 LEU HD2 . 11217 1
748 . 1 1 62 62 LEU HD23 H 1 0.840 0.030 . 1 . . . . 62 LEU HD2 . 11217 1
749 . 1 1 62 62 LEU HG H 1 1.462 0.030 . 1 . . . . 62 LEU HG . 11217 1
750 . 1 1 62 62 LEU C C 13 176.538 0.300 . 1 . . . . 62 LEU C . 11217 1
751 . 1 1 62 62 LEU CA C 13 55.121 0.300 . 1 . . . . 62 LEU CA . 11217 1
752 . 1 1 62 62 LEU CB C 13 42.678 0.300 . 1 . . . . 62 LEU CB . 11217 1
753 . 1 1 62 62 LEU CD1 C 13 24.470 0.300 . 2 . . . . 62 LEU CD1 . 11217 1
754 . 1 1 62 62 LEU CD2 C 13 24.708 0.300 . 2 . . . . 62 LEU CD2 . 11217 1
755 . 1 1 62 62 LEU CG C 13 27.047 0.300 . 1 . . . . 62 LEU CG . 11217 1
756 . 1 1 62 62 LEU N N 15 127.773 0.300 . 1 . . . . 62 LEU N . 11217 1
757 . 1 1 63 63 SER H H 1 8.294 0.030 . 1 . . . . 63 SER H . 11217 1
758 . 1 1 63 63 SER HA H 1 4.483 0.030 . 1 . . . . 63 SER HA . 11217 1
759 . 1 1 63 63 SER HB2 H 1 3.835 0.030 . 1 . . . . 63 SER HB2 . 11217 1
760 . 1 1 63 63 SER HB3 H 1 3.835 0.030 . 1 . . . . 63 SER HB3 . 11217 1
761 . 1 1 63 63 SER C C 13 174.218 0.300 . 1 . . . . 63 SER C . 11217 1
762 . 1 1 63 63 SER CA C 13 58.101 0.300 . 1 . . . . 63 SER CA . 11217 1
763 . 1 1 63 63 SER CB C 13 64.109 0.300 . 1 . . . . 63 SER CB . 11217 1
764 . 1 1 63 63 SER N N 15 117.884 0.300 . 1 . . . . 63 SER N . 11217 1
765 . 1 1 64 64 GLY H H 1 8.194 0.030 . 1 . . . . 64 GLY H . 11217 1
766 . 1 1 64 64 GLY HA2 H 1 4.176 0.030 . 2 . . . . 64 GLY HA2 . 11217 1
767 . 1 1 64 64 GLY HA3 H 1 4.083 0.030 . 2 . . . . 64 GLY HA3 . 11217 1
768 . 1 1 64 64 GLY C C 13 171.659 0.300 . 1 . . . . 64 GLY C . 11217 1
769 . 1 1 64 64 GLY CA C 13 44.586 0.300 . 1 . . . . 64 GLY CA . 11217 1
770 . 1 1 64 64 GLY N N 15 110.465 0.300 . 1 . . . . 64 GLY N . 11217 1
771 . 1 1 65 65 PRO HA H 1 4.479 0.030 . 1 . . . . 65 PRO HA . 11217 1
772 . 1 1 65 65 PRO HB2 H 1 2.297 0.030 . 2 . . . . 65 PRO HB2 . 11217 1
773 . 1 1 65 65 PRO HB3 H 1 1.982 0.030 . 2 . . . . 65 PRO HB3 . 11217 1
774 . 1 1 65 65 PRO HD2 H 1 3.618 0.030 . 1 . . . . 65 PRO HD2 . 11217 1
775 . 1 1 65 65 PRO HD3 H 1 3.618 0.030 . 1 . . . . 65 PRO HD3 . 11217 1
776 . 1 1 65 65 PRO HG2 H 1 2.017 0.030 . 1 . . . . 65 PRO HG2 . 11217 1
777 . 1 1 65 65 PRO HG3 H 1 2.017 0.030 . 1 . . . . 65 PRO HG3 . 11217 1
778 . 1 1 65 65 PRO C C 13 177.359 0.300 . 1 . . . . 65 PRO C . 11217 1
779 . 1 1 65 65 PRO CA C 13 63.201 0.300 . 1 . . . . 65 PRO CA . 11217 1
780 . 1 1 65 65 PRO CB C 13 32.179 0.300 . 1 . . . . 65 PRO CB . 11217 1
781 . 1 1 65 65 PRO CD C 13 49.729 0.300 . 1 . . . . 65 PRO CD . 11217 1
782 . 1 1 65 65 PRO CG C 13 27.101 0.300 . 1 . . . . 65 PRO CG . 11217 1
783 . 1 1 66 66 SER H H 1 8.520 0.030 . 1 . . . . 66 SER H . 11217 1
784 . 1 1 66 66 SER HA H 1 4.508 0.030 . 1 . . . . 66 SER HA . 11217 1
785 . 1 1 66 66 SER HB2 H 1 3.903 0.030 . 1 . . . . 66 SER HB2 . 11217 1
786 . 1 1 66 66 SER HB3 H 1 3.903 0.030 . 1 . . . . 66 SER HB3 . 11217 1
787 . 1 1 66 66 SER C C 13 174.637 0.300 . 1 . . . . 66 SER C . 11217 1
788 . 1 1 66 66 SER CA C 13 58.388 0.300 . 1 . . . . 66 SER CA . 11217 1
789 . 1 1 66 66 SER CB C 13 63.791 0.300 . 1 . . . . 66 SER CB . 11217 1
790 . 1 1 66 66 SER N N 15 116.306 0.300 . 1 . . . . 66 SER N . 11217 1
791 . 1 1 67 67 SER H H 1 8.313 0.030 . 1 . . . . 67 SER H . 11217 1
792 . 1 1 67 67 SER HA H 1 4.499 0.030 . 1 . . . . 67 SER HA . 11217 1
793 . 1 1 67 67 SER HB2 H 1 3.894 0.030 . 1 . . . . 67 SER HB2 . 11217 1
794 . 1 1 67 67 SER HB3 H 1 3.894 0.030 . 1 . . . . 67 SER HB3 . 11217 1
795 . 1 1 67 67 SER C C 13 173.927 0.300 . 1 . . . . 67 SER C . 11217 1
796 . 1 1 67 67 SER CA C 13 58.303 0.300 . 1 . . . . 67 SER CA . 11217 1
797 . 1 1 67 67 SER CB C 13 64.045 0.300 . 1 . . . . 67 SER CB . 11217 1
798 . 1 1 67 67 SER N N 15 117.744 0.300 . 1 . . . . 67 SER N . 11217 1
799 . 1 1 68 68 GLY H H 1 8.038 0.030 . 1 . . . . 68 GLY H . 11217 1
800 . 1 1 68 68 GLY HA2 H 1 3.811 0.030 . 2 . . . . 68 GLY HA2 . 11217 1
801 . 1 1 68 68 GLY HA3 H 1 3.764 0.030 . 2 . . . . 68 GLY HA3 . 11217 1
802 . 1 1 68 68 GLY C C 13 179.013 0.300 . 1 . . . . 68 GLY C . 11217 1
803 . 1 1 68 68 GLY CA C 13 46.201 0.300 . 1 . . . . 68 GLY CA . 11217 1
804 . 1 1 68 68 GLY N N 15 116.861 0.300 . 1 . . . . 68 GLY N . 11217 1
stop_
save_