data_11081
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11081
_Entry.Title
;
Solution structure of the human DDEF1 SH3 domain
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2009-12-14
_Entry.Accession_date 2009-12-14
_Entry.Last_release_date 2011-05-19
_Entry.Original_release_date 2011-05-19
_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 Shuji Kaieda . . . 11081
2 Chiyuki Matsui . . . 11081
3 Yuko Mimori-Kiyosue . . . 11081
4 Takahisa Ikegami . . . 11081
stop_
loop_
_Struct_keywords.Keywords
_Struct_keywords.Text
_Struct_keywords.Entry_ID
GAP . 11081
Protein . 11081
'SH3 domain' . 11081
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 11081
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 279 11081
'15N chemical shifts' 60 11081
'1H chemical shifts' 423 11081
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 . . 2011-05-19 2009-12-14 original author . 11081
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
BMRB 11082
;
Chemical shift assignments of the complex between the DDEF1 SH3 domain and the
APC SAMP1 motif
; 11081
PDB 2RQT 'BMRB Entry Tracking System' 11081
PDB 2RQU
;
Solution structure of the complex between the DDEF1 SH3 domain and the APC
SAMP1 motif
; 11081
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 11081
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 20509626
_Citation.Full_citation .
_Citation.Title 'Structural basis of the recognition of the SAMP motif of adenomatous polyposis coli by the Src-homology 3 domain.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev Biochemistry
_Citation.Journal_name_full Biochemistry
_Citation.Journal_volume 49
_Citation.Journal_issue 25
_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 5143
_Citation.Page_last 5153
_Citation.Year 2010
_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 Shuji Kaieda . . . 11081 1
2 Chiyuki Matsui . . . 11081 1
3 Yuko Mimori-Kiyosue . . . 11081 1
4 Takahisa Ikegami . . . 11081 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 11081
_Assembly.ID 1
_Assembly.Name 'DDEF1 SH3'
_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 'DDEF1 SH3' 1 $DDEF1_SH3 A . yes native no no . . . 11081 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_DDEF1_SH3
_Entity.Sf_category entity
_Entity.Sf_framecode DDEF1_SH3
_Entity.Entry_ID 11081
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'DDEF1 SH3'
_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
;
VRRVKTIYDCQADNDDELTF
IEGEVIIVTGEEDQEWWIGH
IEGQPERKGVFPVSFVHILS
D
;
_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 61
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all free'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 7066.874
_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 BMRB 11082 . "DDEF1 SH3" . . . . . 100.00 61 100.00 100.00 4.24e-35 . . . . 11081 1
2 no BMRB 11153 . "SH3 domain" . . . . . 100.00 76 100.00 100.00 1.25e-35 . . . . 11081 1
3 no PDB 2ED1 . "Solution Structure Of The Sh3 Domain Of 130 Kda Phosphatidylinositol 4,5-Biphosphate-Dependent Arf1 Gtpase- Activating Protein" . . . . . 100.00 76 100.00 100.00 1.25e-35 . . . . 11081 1
4 no PDB 2RQT . "Solution Structure Of The Human Ddef1 Sh3 Domain" . . . . . 100.00 61 100.00 100.00 4.24e-35 . . . . 11081 1
5 no PDB 2RQU . "Solution Structure Of The Complex Between The Ddef1 Sh3 Domain And The Apc Samp1 Motif" . . . . . 100.00 61 100.00 100.00 4.24e-35 . . . . 11081 1
6 no DBJ BAA86563 . "KIAA1249 protein [Homo sapiens]" . . . . . 100.00 949 100.00 100.00 1.76e-35 . . . . 11081 1
7 no DBJ BAC65759 . "mKIAA1249 protein [Mus musculus]" . . . . . 100.00 1079 100.00 100.00 2.47e-35 . . . . 11081 1
8 no DBJ BAE27250 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1087 100.00 100.00 2.92e-35 . . . . 11081 1
9 no DBJ BAE34783 . "unnamed protein product [Mus musculus]" . . . . . 100.00 133 100.00 100.00 3.77e-36 . . . . 11081 1
10 no EMBL CAD97831 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 956 100.00 100.00 2.15e-35 . . . . 11081 1
11 no GB AAB82338 . "SrcSH3 binding protein [Mus musculus]" . . . . . 100.00 494 100.00 100.00 1.01e-36 . . . . 11081 1
12 no GB AAC98349 . "ADP-ribosylation factor-directed GTPase activating protein isoform a [Mus musculus]" . . . . . 100.00 1147 100.00 100.00 1.82e-35 . . . . 11081 1
13 no GB AAC98350 . "ADP-ribosylation factor-directed GTPase activating protein isoform b [Mus musculus]" . . . . . 100.00 1090 100.00 100.00 2.74e-35 . . . . 11081 1
14 no GB AAH02201 . "Asap1 protein, partial [Mus musculus]" . . . . . 100.00 430 100.00 100.00 9.67e-37 . . . . 11081 1
15 no GB AAH48818 . "Asap1 protein, partial [Mus musculus]" . . . . . 100.00 1167 100.00 100.00 1.37e-35 . . . . 11081 1
16 no REF NP_001037710 . "arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1 [Rattus norvegicus]" . . . . . 100.00 1144 100.00 100.00 1.81e-35 . . . . 11081 1
17 no REF NP_001234925 . "arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1 isoform 2 [Homo sapiens]" . . . . . 100.00 1122 100.00 100.00 2.53e-35 . . . . 11081 1
18 no REF NP_001263390 . "arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1 isoform b [Mus musculus]" . . . . . 100.00 1087 100.00 100.00 2.73e-35 . . . . 11081 1
19 no REF NP_001263391 . "arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1 isoform c [Mus musculus]" . . . . . 100.00 1124 100.00 100.00 2.30e-35 . . . . 11081 1
20 no REF NP_001263392 . "arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1 isoform d [Mus musculus]" . . . . . 100.00 1112 100.00 100.00 2.58e-35 . . . . 11081 1
21 no SP Q1AAU6 . "RecName: Full=Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1; AltName: Full=130 kDa phosphatidylinosito" . . . . . 100.00 1144 100.00 100.00 1.81e-35 . . . . 11081 1
22 no SP Q9QWY8 . "RecName: Full=Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1; AltName: Full=130 kDa phosphatidylinosito" . . . . . 100.00 1147 100.00 100.00 1.82e-35 . . . . 11081 1
23 no SP Q9ULH1 . "RecName: Full=Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1; AltName: Full=130 kDa phosphatidylinosito" . . . . . 100.00 1129 100.00 100.00 2.32e-35 . . . . 11081 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 1069 VAL . 11081 1
2 1070 ARG . 11081 1
3 1071 ARG . 11081 1
4 1072 VAL . 11081 1
5 1073 LYS . 11081 1
6 1074 THR . 11081 1
7 1075 ILE . 11081 1
8 1076 TYR . 11081 1
9 1077 ASP . 11081 1
10 1078 CYS . 11081 1
11 1079 GLN . 11081 1
12 1080 ALA . 11081 1
13 1081 ASP . 11081 1
14 1082 ASN . 11081 1
15 1083 ASP . 11081 1
16 1084 ASP . 11081 1
17 1085 GLU . 11081 1
18 1086 LEU . 11081 1
19 1087 THR . 11081 1
20 1088 PHE . 11081 1
21 1089 ILE . 11081 1
22 1090 GLU . 11081 1
23 1091 GLY . 11081 1
24 1092 GLU . 11081 1
25 1093 VAL . 11081 1
26 1094 ILE . 11081 1
27 1095 ILE . 11081 1
28 1096 VAL . 11081 1
29 1097 THR . 11081 1
30 1098 GLY . 11081 1
31 1099 GLU . 11081 1
32 1100 GLU . 11081 1
33 1101 ASP . 11081 1
34 1102 GLN . 11081 1
35 1103 GLU . 11081 1
36 1104 TRP . 11081 1
37 1105 TRP . 11081 1
38 1106 ILE . 11081 1
39 1107 GLY . 11081 1
40 1108 HIS . 11081 1
41 1109 ILE . 11081 1
42 1110 GLU . 11081 1
43 1111 GLY . 11081 1
44 1112 GLN . 11081 1
45 1113 PRO . 11081 1
46 1114 GLU . 11081 1
47 1115 ARG . 11081 1
48 1116 LYS . 11081 1
49 1117 GLY . 11081 1
50 1118 VAL . 11081 1
51 1119 PHE . 11081 1
52 1120 PRO . 11081 1
53 1121 VAL . 11081 1
54 1122 SER . 11081 1
55 1123 PHE . 11081 1
56 1124 VAL . 11081 1
57 1125 HIS . 11081 1
58 1126 ILE . 11081 1
59 1127 LEU . 11081 1
60 1128 SER . 11081 1
61 1129 ASP . 11081 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
. VAL 1 1 11081 1
. ARG 2 2 11081 1
. ARG 3 3 11081 1
. VAL 4 4 11081 1
. LYS 5 5 11081 1
. THR 6 6 11081 1
. ILE 7 7 11081 1
. TYR 8 8 11081 1
. ASP 9 9 11081 1
. CYS 10 10 11081 1
. GLN 11 11 11081 1
. ALA 12 12 11081 1
. ASP 13 13 11081 1
. ASN 14 14 11081 1
. ASP 15 15 11081 1
. ASP 16 16 11081 1
. GLU 17 17 11081 1
. LEU 18 18 11081 1
. THR 19 19 11081 1
. PHE 20 20 11081 1
. ILE 21 21 11081 1
. GLU 22 22 11081 1
. GLY 23 23 11081 1
. GLU 24 24 11081 1
. VAL 25 25 11081 1
. ILE 26 26 11081 1
. ILE 27 27 11081 1
. VAL 28 28 11081 1
. THR 29 29 11081 1
. GLY 30 30 11081 1
. GLU 31 31 11081 1
. GLU 32 32 11081 1
. ASP 33 33 11081 1
. GLN 34 34 11081 1
. GLU 35 35 11081 1
. TRP 36 36 11081 1
. TRP 37 37 11081 1
. ILE 38 38 11081 1
. GLY 39 39 11081 1
. HIS 40 40 11081 1
. ILE 41 41 11081 1
. GLU 42 42 11081 1
. GLY 43 43 11081 1
. GLN 44 44 11081 1
. PRO 45 45 11081 1
. GLU 46 46 11081 1
. ARG 47 47 11081 1
. LYS 48 48 11081 1
. GLY 49 49 11081 1
. VAL 50 50 11081 1
. PHE 51 51 11081 1
. PRO 52 52 11081 1
. VAL 53 53 11081 1
. SER 54 54 11081 1
. PHE 55 55 11081 1
. VAL 56 56 11081 1
. HIS 57 57 11081 1
. ILE 58 58 11081 1
. LEU 59 59 11081 1
. SER 60 60 11081 1
. ASP 61 61 11081 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 11081
_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 $DDEF1_SH3 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11081 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 11081
_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 $DDEF1_SH3 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . . . . . . . pET32a . . . . . . 11081 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 11081
_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 'DDEF1 SH3' [U-15N] . . 1 $DDEF1_SH3 . protein 0.7 . . mM . . . . 11081 1
2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11081 1
3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 11081 1
4 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11081 1
5 H2O . . . . . . solvent 90 . . % . . . . 11081 1
6 D2O . . . . . . solvent 10 . . % . . . . 11081 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 11081
_Sample.ID 2
_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 'DDEF1 SH3' '[U-13C; U-15N]' . . 1 $DDEF1_SH3 . protein 0.7 . . mM . . . . 11081 2
2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11081 2
3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 11081 2
4 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11081 2
5 H2O . . . . . . solvent 90 . . % . . . . 11081 2
6 D2O . . . . . . solvent 10 . . % . . . . 11081 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 11081
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '100% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 'DDEF1 SH3' '[U-13C; U-15N]' . . 1 $DDEF1_SH3 . protein 0.7 . . mM . . . . 11081 3
2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11081 3
3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 11081 3
4 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11081 3
5 D2O . . . . . . solvent 100 . . % . . . . 11081 3
stop_
save_
save_sample_4
_Sample.Sf_category sample
_Sample.Sf_framecode sample_4
_Sample.Entry_ID 11081
_Sample.ID 4
_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 'DDEF1 SH3' '[U-15% 13C; U-15N]' . . 1 $DDEF1_SH3 . protein 0.7 . . mM . . . . 11081 4
2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11081 4
3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 11081 4
4 'sodium azide' 'natural abundance' . . . . . salt 0.02 . . % . . . . 11081 4
5 H2O . . . . . . solvent 90 . . % . . . . 11081 4
6 D2O . . . . . . solvent 10 . . % . . . . 11081 4
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 11081
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
pH 7.2 . pH 11081 1
pressure 1 . atm 11081 1
temperature 298 . K 11081 1
stop_
save_
############################
# Computer software used #
############################
save_xwinnmr
_Software.Sf_category software
_Software.Sf_framecode xwinnmr
_Software.Entry_ID 11081
_Software.ID 1
_Software.Name xwinnmr
_Software.Version 3.5
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . 11081 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 11081 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 11081
_Software.ID 2
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11081 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 11081 2
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID 11081
_Software.ID 3
_Software.Name SPARKY
_Software.Version 3.115
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Goddard and Kneller' . . 11081 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11081 3
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 11081
_Software.ID 4
_Software.Name CYANA
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, Mumenthaler and Wuthrich' . . 11081 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'structure solution' 11081 4
stop_
save_
save_ARIA
_Software.Sf_category software
_Software.Sf_framecode ARIA
_Software.Entry_ID 11081
_Software.ID 5
_Software.Name ARIA
_Software.Version 2.2
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Rieping, Habeck, Bardiaux, Bernard, Malliavin, and Nilges' . . 11081 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 11081 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 11081
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DRX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_spectrometer_2
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_2
_NMR_spectrometer.Entry_ID 11081
_NMR_spectrometer.ID 2
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DRX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 600
save_
save_spectrometer_3
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_3
_NMR_spectrometer.Entry_ID 11081
_NMR_spectrometer.ID 3
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DRX
_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 11081
_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 DRX . 500 . . . 11081 1
2 spectrometer_2 Bruker DRX . 600 . . . 11081 1
3 spectrometer_3 Bruker DRX . 800 . . . 11081 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 11081
_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 . . . . . . . . . . . . . . . . 11081 1
2 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11081 1
3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11081 1
4 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11081 1
5 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11081 1
6 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11081 1
7 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11081 1
8 '3D 15N-edited NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11081 1
9 '3D 13C-edited NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11081 1
10 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11081 1
11 '2D 1H-13C CT-HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11081 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 11081
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
C 13 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . . . . . 11081 1
H 1 water protons . . . . ppm 4.773 internal direct 1.0 . . . . . . . . . 11081 1
N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . . . . . 11081 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 11081
_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' 1 $sample_1 isotropic 11081 1
2 '3D HNCACB' 2 $sample_2 isotropic 11081 1
3 '3D CBCA(CO)NH' 2 $sample_2 isotropic 11081 1
4 '3D HNCO' 2 $sample_2 isotropic 11081 1
5 '3D HN(CA)CO' 2 $sample_2 isotropic 11081 1
6 '3D H(CCO)NH' 2 $sample_2 isotropic 11081 1
7 '3D HCCH-TOCSY' 3 $sample_3 isotropic 11081 1
8 '3D 15N-edited NOESY' 1 $sample_1 isotropic 11081 1
9 '3D 13C-edited NOESY' 3 $sample_3 isotropic 11081 1
10 '2D 1H-13C HSQC' 4 $sample_4 isotropic 11081 1
11 '2D 1H-13C CT-HSQC' 4 $sample_4 isotropic 11081 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 VAL HA H 1 4.036 0.005 . 1 . . . . 1069 VAL HA . 11081 1
2 . 1 1 1 1 VAL HB H 1 1.948 0.005 . 1 . . . . 1069 VAL HB . 11081 1
3 . 1 1 1 1 VAL HG11 H 1 0.892 0.005 . 1 . . . . 1069 VAL HG11 . 11081 1
4 . 1 1 1 1 VAL HG12 H 1 0.892 0.005 . 1 . . . . 1069 VAL HG12 . 11081 1
5 . 1 1 1 1 VAL HG13 H 1 0.892 0.005 . 1 . . . . 1069 VAL HG13 . 11081 1
6 . 1 1 1 1 VAL HG21 H 1 0.920 0.008 . 1 . . . . 1069 VAL HG21 . 11081 1
7 . 1 1 1 1 VAL HG22 H 1 0.920 0.008 . 1 . . . . 1069 VAL HG22 . 11081 1
8 . 1 1 1 1 VAL HG23 H 1 0.920 0.008 . 1 . . . . 1069 VAL HG23 . 11081 1
9 . 1 1 1 1 VAL C C 13 175.212 0.008 . 1 . . . . 1069 VAL CO . 11081 1
10 . 1 1 1 1 VAL CA C 13 62.260 0.082 . 1 . . . . 1069 VAL CA . 11081 1
11 . 1 1 1 1 VAL CB C 13 33.067 0.050 . 1 . . . . 1069 VAL CB . 11081 1
12 . 1 1 1 1 VAL CG1 C 13 21.534 0.036 . 1 . . . . 1069 VAL CG1 . 11081 1
13 . 1 1 1 1 VAL CG2 C 13 20.865 0.031 . 1 . . . . 1069 VAL CG2 . 11081 1
14 . 1 1 1 1 VAL N N 15 122.730 0.054 . 1 . . . . 1069 VAL N . 11081 1
15 . 1 1 2 2 ARG H H 1 8.640 0.006 . 1 . . . . 1070 ARG H . 11081 1
16 . 1 1 2 2 ARG HA H 1 4.475 0.004 . 1 . . . . 1070 ARG HA . 11081 1
17 . 1 1 2 2 ARG HB2 H 1 1.756 0.010 . 2 . . . . 1070 ARG HB2 . 11081 1
18 . 1 1 2 2 ARG HB3 H 1 1.809 0.009 . 2 . . . . 1070 ARG HB3 . 11081 1
19 . 1 1 2 2 ARG HD2 H 1 3.017 0.009 . 2 . . . . 1070 ARG HD2 . 11081 1
20 . 1 1 2 2 ARG HD3 H 1 2.994 0.003 . 2 . . . . 1070 ARG HD3 . 11081 1
21 . 1 1 2 2 ARG HG2 H 1 1.638 0.006 . 2 . . . . 1070 ARG HG2 . 11081 1
22 . 1 1 2 2 ARG HG3 H 1 1.502 0.004 . 2 . . . . 1070 ARG HG3 . 11081 1
23 . 1 1 2 2 ARG C C 13 174.220 0.007 . 1 . . . . 1070 ARG CO . 11081 1
24 . 1 1 2 2 ARG CA C 13 55.728 0.062 . 1 . . . . 1070 ARG CA . 11081 1
25 . 1 1 2 2 ARG CB C 13 32.096 0.073 . 1 . . . . 1070 ARG CB . 11081 1
26 . 1 1 2 2 ARG CD C 13 43.688 0.064 . 1 . . . . 1070 ARG CD . 11081 1
27 . 1 1 2 2 ARG CG C 13 26.508 0.076 . 1 . . . . 1070 ARG CG . 11081 1
28 . 1 1 2 2 ARG N N 15 127.214 0.037 . 1 . . . . 1070 ARG N . 11081 1
29 . 1 1 3 3 ARG H H 1 8.665 0.012 . 1 . . . . 1071 ARG H . 11081 1
30 . 1 1 3 3 ARG HA H 1 5.455 0.010 . 1 . . . . 1071 ARG HA . 11081 1
31 . 1 1 3 3 ARG HB2 H 1 1.703 0.013 . 2 . . . . 1071 ARG HB2 . 11081 1
32 . 1 1 3 3 ARG HB3 H 1 1.550 0.007 . 2 . . . . 1071 ARG HB3 . 11081 1
33 . 1 1 3 3 ARG HD2 H 1 3.153 0.007 . 2 . . . . 1071 ARG HD2 . 11081 1
34 . 1 1 3 3 ARG HD3 H 1 3.071 0.007 . 2 . . . . 1071 ARG HD3 . 11081 1
35 . 1 1 3 3 ARG HG2 H 1 1.562 0.006 . 2 . . . . 1071 ARG HG2 . 11081 1
36 . 1 1 3 3 ARG HG3 H 1 1.379 0.009 . 2 . . . . 1071 ARG HG3 . 11081 1
37 . 1 1 3 3 ARG C C 13 175.649 0.000 . 1 . . . . 1071 ARG CO . 11081 1
38 . 1 1 3 3 ARG CA C 13 54.588 0.053 . 1 . . . . 1071 ARG CA . 11081 1
39 . 1 1 3 3 ARG CB C 13 34.260 0.053 . 1 . . . . 1071 ARG CB . 11081 1
40 . 1 1 3 3 ARG CD C 13 43.415 0.060 . 1 . . . . 1071 ARG CD . 11081 1
41 . 1 1 3 3 ARG CG C 13 28.407 0.068 . 1 . . . . 1071 ARG CG . 11081 1
42 . 1 1 3 3 ARG N N 15 122.858 0.061 . 1 . . . . 1071 ARG N . 11081 1
43 . 1 1 4 4 VAL H H 1 8.930 0.005 . 1 . . . . 1072 VAL H . 11081 1
44 . 1 1 4 4 VAL HA H 1 5.091 0.041 . 1 . . . . 1072 VAL HA . 11081 1
45 . 1 1 4 4 VAL HB H 1 1.932 0.011 . 1 . . . . 1072 VAL HB . 11081 1
46 . 1 1 4 4 VAL HG11 H 1 1.052 0.009 . 1 . . . . 1072 VAL HG11 . 11081 1
47 . 1 1 4 4 VAL HG12 H 1 1.052 0.009 . 1 . . . . 1072 VAL HG12 . 11081 1
48 . 1 1 4 4 VAL HG13 H 1 1.052 0.009 . 1 . . . . 1072 VAL HG13 . 11081 1
49 . 1 1 4 4 VAL HG21 H 1 0.594 0.006 . 1 . . . . 1072 VAL HG21 . 11081 1
50 . 1 1 4 4 VAL HG22 H 1 0.594 0.006 . 1 . . . . 1072 VAL HG22 . 11081 1
51 . 1 1 4 4 VAL HG23 H 1 0.594 0.006 . 1 . . . . 1072 VAL HG23 . 11081 1
52 . 1 1 4 4 VAL C C 13 172.432 0.004 . 1 . . . . 1072 VAL CO . 11081 1
53 . 1 1 4 4 VAL CA C 13 58.010 0.066 . 1 . . . . 1072 VAL CA . 11081 1
54 . 1 1 4 4 VAL CB C 13 35.157 0.104 . 1 . . . . 1072 VAL CB . 11081 1
55 . 1 1 4 4 VAL CG1 C 13 22.786 0.014 . 1 . . . . 1072 VAL CG1 . 11081 1
56 . 1 1 4 4 VAL CG2 C 13 20.561 0.046 . 1 . . . . 1072 VAL CG2 . 11081 1
57 . 1 1 4 4 VAL N N 15 113.317 0.025 . 1 . . . . 1072 VAL N . 11081 1
58 . 1 1 5 5 LYS H H 1 9.053 0.002 . 1 . . . . 1073 LYS H . 11081 1
59 . 1 1 5 5 LYS HA H 1 5.391 0.006 . 1 . . . . 1073 LYS HA . 11081 1
60 . 1 1 5 5 LYS HB2 H 1 1.614 0.013 . 2 . . . . 1073 LYS HB2 . 11081 1
61 . 1 1 5 5 LYS HB3 H 1 1.457 0.006 . 2 . . . . 1073 LYS HB3 . 11081 1
62 . 1 1 5 5 LYS HD2 H 1 1.588 0.081 . 2 . . . . 1073 LYS HD2 . 11081 1
63 . 1 1 5 5 LYS HD3 H 1 1.601 0.009 . 2 . . . . 1073 LYS HD3 . 11081 1
64 . 1 1 5 5 LYS HE2 H 1 2.847 0.004 . 2 . . . . 1073 LYS HE2 . 11081 1
65 . 1 1 5 5 LYS HG2 H 1 1.350 0.011 . 2 . . . . 1073 LYS HG2 . 11081 1
66 . 1 1 5 5 LYS HG3 H 1 1.157 0.009 . 2 . . . . 1073 LYS HG3 . 11081 1
67 . 1 1 5 5 LYS C C 13 176.428 0.004 . 1 . . . . 1073 LYS CO . 11081 1
68 . 1 1 5 5 LYS CA C 13 53.286 0.068 . 1 . . . . 1073 LYS CA . 11081 1
69 . 1 1 5 5 LYS CB C 13 36.630 0.070 . 1 . . . . 1073 LYS CB . 11081 1
70 . 1 1 5 5 LYS CD C 13 29.469 0.017 . 1 . . . . 1073 LYS CD . 11081 1
71 . 1 1 5 5 LYS CE C 13 41.620 0.053 . 1 . . . . 1073 LYS CE . 11081 1
72 . 1 1 5 5 LYS CG C 13 24.803 0.054 . 1 . . . . 1073 LYS CG . 11081 1
73 . 1 1 5 5 LYS N N 15 122.061 0.025 . 1 . . . . 1073 LYS N . 11081 1
74 . 1 1 6 6 THR H H 1 9.288 0.020 . 1 . . . . 1074 THR H . 11081 1
75 . 1 1 6 6 THR HA H 1 4.413 0.010 . 1 . . . . 1074 THR HA . 11081 1
76 . 1 1 6 6 THR HB H 1 4.469 0.009 . 1 . . . . 1074 THR HB . 11081 1
77 . 1 1 6 6 THR HG1 H 1 5.599 0.002 . 1 . . . . 1074 THR HG1 . 11081 1
78 . 1 1 6 6 THR HG21 H 1 0.095 0.010 . 1 . . . . 1074 THR HG21 . 11081 1
79 . 1 1 6 6 THR HG22 H 1 0.095 0.010 . 1 . . . . 1074 THR HG22 . 11081 1
80 . 1 1 6 6 THR HG23 H 1 0.095 0.010 . 1 . . . . 1074 THR HG23 . 11081 1
81 . 1 1 6 6 THR C C 13 177.147 0.002 . 1 . . . . 1074 THR CO . 11081 1
82 . 1 1 6 6 THR CA C 13 61.507 0.123 . 1 . . . . 1074 THR CA . 11081 1
83 . 1 1 6 6 THR CB C 13 69.507 0.063 . 1 . . . . 1074 THR CB . 11081 1
84 . 1 1 6 6 THR CG2 C 13 22.953 0.001 . 1 . . . . 1074 THR CG2 . 11081 1
85 . 1 1 6 6 THR N N 15 118.365 0.152 . 1 . . . . 1074 THR N . 11081 1
86 . 1 1 7 7 ILE H H 1 8.836 0.010 . 1 . . . . 1075 ILE H . 11081 1
87 . 1 1 7 7 ILE HA H 1 4.308 0.007 . 1 . . . . 1075 ILE HA . 11081 1
88 . 1 1 7 7 ILE HB H 1 1.451 0.004 . 1 . . . . 1075 ILE HB . 11081 1
89 . 1 1 7 7 ILE HD11 H 1 0.400 0.006 . 1 . . . . 1075 ILE HD11 . 11081 1
90 . 1 1 7 7 ILE HD12 H 1 0.400 0.006 . 1 . . . . 1075 ILE HD12 . 11081 1
91 . 1 1 7 7 ILE HD13 H 1 0.400 0.006 . 1 . . . . 1075 ILE HD13 . 11081 1
92 . 1 1 7 7 ILE HG12 H 1 0.411 0.006 . 2 . . . . 1075 ILE HG12 . 11081 1
93 . 1 1 7 7 ILE HG13 H 1 0.291 0.031 . 2 . . . . 1075 ILE HG13 . 11081 1
94 . 1 1 7 7 ILE HG21 H 1 0.347 0.009 . 1 . . . . 1075 ILE HG21 . 11081 1
95 . 1 1 7 7 ILE HG22 H 1 0.347 0.009 . 1 . . . . 1075 ILE HG22 . 11081 1
96 . 1 1 7 7 ILE HG23 H 1 0.347 0.009 . 1 . . . . 1075 ILE HG23 . 11081 1
97 . 1 1 7 7 ILE C C 13 173.611 0.002 . 1 . . . . 1075 ILE CO . 11081 1
98 . 1 1 7 7 ILE CA C 13 61.125 0.200 . 1 . . . . 1075 ILE CA . 11081 1
99 . 1 1 7 7 ILE CB C 13 38.979 0.050 . 1 . . . . 1075 ILE CB . 11081 1
100 . 1 1 7 7 ILE CD1 C 13 13.760 0.026 . 1 . . . . 1075 ILE CD1 . 11081 1
101 . 1 1 7 7 ILE CG1 C 13 26.139 0.074 . 1 . . . . 1075 ILE CG1 . 11081 1
102 . 1 1 7 7 ILE CG2 C 13 17.407 0.077 . 1 . . . . 1075 ILE CG2 . 11081 1
103 . 1 1 7 7 ILE N N 15 118.138 0.043 . 1 . . . . 1075 ILE N . 11081 1
104 . 1 1 8 8 TYR H H 1 7.258 0.012 . 1 . . . . 1076 TYR H . 11081 1
105 . 1 1 8 8 TYR HA H 1 4.905 0.004 . 1 . . . . 1076 TYR HA . 11081 1
106 . 1 1 8 8 TYR HB2 H 1 3.121 0.005 . 2 . . . . 1076 TYR HB2 . 11081 1
107 . 1 1 8 8 TYR HB3 H 1 2.170 0.007 . 2 . . . . 1076 TYR HB3 . 11081 1
108 . 1 1 8 8 TYR HD1 H 1 6.590 0.008 . 3 . . . . 1076 TYR HD1 . 11081 1
109 . 1 1 8 8 TYR HD2 H 1 6.590 0.008 . 3 . . . . 1076 TYR HD2 . 11081 1
110 . 1 1 8 8 TYR HE1 H 1 6.615 0.004 . 3 . . . . 1076 TYR HE1 . 11081 1
111 . 1 1 8 8 TYR HE2 H 1 6.615 0.004 . 3 . . . . 1076 TYR HE2 . 11081 1
112 . 1 1 8 8 TYR C C 13 173.996 0.004 . 1 . . . . 1076 TYR CO . 11081 1
113 . 1 1 8 8 TYR CA C 13 54.741 0.086 . 1 . . . . 1076 TYR CA . 11081 1
114 . 1 1 8 8 TYR CB C 13 43.480 0.043 . 1 . . . . 1076 TYR CB . 11081 1
115 . 1 1 8 8 TYR CD1 C 13 133.340 0.045 . 3 . . . . 1076 TYR CD1 . 11081 1
116 . 1 1 8 8 TYR CD2 C 13 133.340 0.045 . 3 . . . . 1076 TYR CD2 . 11081 1
117 . 1 1 8 8 TYR CE1 C 13 117.481 0.074 . 3 . . . . 1076 TYR CE1 . 11081 1
118 . 1 1 8 8 TYR CE2 C 13 117.481 0.074 . 3 . . . . 1076 TYR CE2 . 11081 1
119 . 1 1 8 8 TYR N N 15 116.617 0.042 . 1 . . . . 1076 TYR N . 11081 1
120 . 1 1 9 9 ASP H H 1 8.250 0.002 . 1 . . . . 1077 ASP H . 11081 1
121 . 1 1 9 9 ASP HA H 1 4.657 0.009 . 1 . . . . 1077 ASP HA . 11081 1
122 . 1 1 9 9 ASP HB2 H 1 2.774 0.007 . 2 . . . . 1077 ASP HB2 . 11081 1
123 . 1 1 9 9 ASP HB3 H 1 2.592 0.006 . 2 . . . . 1077 ASP HB3 . 11081 1
124 . 1 1 9 9 ASP C C 13 175.727 0.005 . 1 . . . . 1077 ASP CO . 11081 1
125 . 1 1 9 9 ASP CA C 13 54.145 0.122 . 1 . . . . 1077 ASP CA . 11081 1
126 . 1 1 9 9 ASP CB C 13 41.607 0.039 . 1 . . . . 1077 ASP CB . 11081 1
127 . 1 1 9 9 ASP N N 15 117.525 0.041 . 1 . . . . 1077 ASP N . 11081 1
128 . 1 1 10 10 CYS H H 1 8.423 0.008 . 1 . . . . 1078 CYS H . 11081 1
129 . 1 1 10 10 CYS HA H 1 4.296 0.004 . 1 . . . . 1078 CYS HA . 11081 1
130 . 1 1 10 10 CYS HB2 H 1 1.990 0.004 . 2 . . . . 1078 CYS HB2 . 11081 1
131 . 1 1 10 10 CYS HB3 H 1 0.999 0.008 . 2 . . . . 1078 CYS HB3 . 11081 1
132 . 1 1 10 10 CYS C C 13 172.434 0.005 . 1 . . . . 1078 CYS CO . 11081 1
133 . 1 1 10 10 CYS CA C 13 58.569 0.069 . 1 . . . . 1078 CYS CA . 11081 1
134 . 1 1 10 10 CYS CB C 13 28.995 0.096 . 1 . . . . 1078 CYS CB . 11081 1
135 . 1 1 10 10 CYS N N 15 120.431 0.029 . 1 . . . . 1078 CYS N . 11081 1
136 . 1 1 11 11 GLN H H 1 8.635 0.006 . 1 . . . . 1079 GLN H . 11081 1
137 . 1 1 11 11 GLN HA H 1 4.527 0.008 . 1 . . . . 1079 GLN HA . 11081 1
138 . 1 1 11 11 GLN HB2 H 1 1.994 0.008 . 2 . . . . 1079 GLN HB2 . 11081 1
139 . 1 1 11 11 GLN HB3 H 1 1.939 0.009 . 2 . . . . 1079 GLN HB3 . 11081 1
140 . 1 1 11 11 GLN HG2 H 1 2.289 0.013 . 2 . . . . 1079 GLN HG2 . 11081 1
141 . 1 1 11 11 GLN HG3 H 1 2.266 0.010 . 2 . . . . 1079 GLN HG3 . 11081 1
142 . 1 1 11 11 GLN C C 13 174.691 0.000 . 1 . . . . 1079 GLN CO . 11081 1
143 . 1 1 11 11 GLN CA C 13 54.104 0.072 . 1 . . . . 1079 GLN CA . 11081 1
144 . 1 1 11 11 GLN CB C 13 29.054 0.074 . 1 . . . . 1079 GLN CB . 11081 1
145 . 1 1 11 11 GLN CG C 13 33.639 0.066 . 1 . . . . 1079 GLN CG . 11081 1
146 . 1 1 11 11 GLN N N 15 128.677 0.020 . 1 . . . . 1079 GLN N . 11081 1
147 . 1 1 12 12 ALA H H 1 8.043 0.018 . 1 . . . . 1080 ALA H . 11081 1
148 . 1 1 12 12 ALA HA H 1 4.248 0.002 . 1 . . . . 1080 ALA HA . 11081 1
149 . 1 1 12 12 ALA HB1 H 1 1.350 0.009 . 1 . . . . 1080 ALA HB1 . 11081 1
150 . 1 1 12 12 ALA HB2 H 1 1.350 0.009 . 1 . . . . 1080 ALA HB2 . 11081 1
151 . 1 1 12 12 ALA HB3 H 1 1.350 0.009 . 1 . . . . 1080 ALA HB3 . 11081 1
152 . 1 1 12 12 ALA C C 13 177.661 0.003 . 1 . . . . 1080 ALA CO . 11081 1
153 . 1 1 12 12 ALA CA C 13 52.663 0.103 . 1 . . . . 1080 ALA CA . 11081 1
154 . 1 1 12 12 ALA CB C 13 21.213 0.068 . 1 . . . . 1080 ALA CB . 11081 1
155 . 1 1 12 12 ALA N N 15 128.556 0.102 . 1 . . . . 1080 ALA N . 11081 1
156 . 1 1 13 13 ASP H H 1 8.744 0.014 . 1 . . . . 1081 ASP H . 11081 1
157 . 1 1 13 13 ASP HA H 1 4.716 0.008 . 1 . . . . 1081 ASP HA . 11081 1
158 . 1 1 13 13 ASP HB2 H 1 2.654 0.012 . 2 . . . . 1081 ASP HB2 . 11081 1
159 . 1 1 13 13 ASP HB3 H 1 2.643 0.000 . 2 . . . . 1081 ASP HB3 . 11081 1
160 . 1 1 13 13 ASP C C 13 175.491 0.007 . 1 . . . . 1081 ASP CO . 11081 1
161 . 1 1 13 13 ASP CA C 13 54.533 0.123 . 1 . . . . 1081 ASP CA . 11081 1
162 . 1 1 13 13 ASP CB C 13 42.426 0.050 . 1 . . . . 1081 ASP CB . 11081 1
163 . 1 1 13 13 ASP N N 15 120.628 0.104 . 1 . . . . 1081 ASP N . 11081 1
164 . 1 1 14 14 ASN H H 1 7.433 0.008 . 1 . . . . 1082 ASN H . 11081 1
165 . 1 1 14 14 ASN HA H 1 4.807 0.009 . 1 . . . . 1082 ASN HA . 11081 1
166 . 1 1 14 14 ASN HB2 H 1 2.732 0.009 . 2 . . . . 1082 ASN HB2 . 11081 1
167 . 1 1 14 14 ASN HB3 H 1 2.574 0.008 . 2 . . . . 1082 ASN HB3 . 11081 1
168 . 1 1 14 14 ASN HD21 H 1 7.705 0.003 . 2 . . . . 1082 ASN HD21 . 11081 1
169 . 1 1 14 14 ASN HD22 H 1 6.838 0.002 . 2 . . . . 1082 ASN HD22 . 11081 1
170 . 1 1 14 14 ASN C C 13 175.890 0.003 . 1 . . . . 1082 ASN CO . 11081 1
171 . 1 1 14 14 ASN CA C 13 52.199 0.043 . 1 . . . . 1082 ASN CA . 11081 1
172 . 1 1 14 14 ASN CB C 13 41.311 0.117 . 1 . . . . 1082 ASN CB . 11081 1
173 . 1 1 14 14 ASN N N 15 115.140 0.041 . 1 . . . . 1082 ASN N . 11081 1
174 . 1 1 14 14 ASN ND2 N 15 115.533 0.022 . 1 . . . . 1082 ASN ND2 . 11081 1
175 . 1 1 15 15 ASP H H 1 8.662 0.011 . 1 . . . . 1083 ASP H . 11081 1
176 . 1 1 15 15 ASP HA H 1 4.446 0.005 . 1 . . . . 1083 ASP HA . 11081 1
177 . 1 1 15 15 ASP HB2 H 1 2.753 0.005 . 2 . . . . 1083 ASP HB2 . 11081 1
178 . 1 1 15 15 ASP HB3 H 1 2.638 0.013 . 2 . . . . 1083 ASP HB3 . 11081 1
179 . 1 1 15 15 ASP C C 13 176.163 0.013 . 1 . . . . 1083 ASP CO . 11081 1
180 . 1 1 15 15 ASP CA C 13 56.541 0.086 . 1 . . . . 1083 ASP CA . 11081 1
181 . 1 1 15 15 ASP CB C 13 40.779 0.124 . 1 . . . . 1083 ASP CB . 11081 1
182 . 1 1 15 15 ASP N N 15 119.812 0.088 . 1 . . . . 1083 ASP N . 11081 1
183 . 1 1 16 16 ASP H H 1 8.427 0.009 . 1 . . . . 1084 ASP H . 11081 1
184 . 1 1 16 16 ASP HA H 1 4.660 0.006 . 1 . . . . 1084 ASP HA . 11081 1
185 . 1 1 16 16 ASP HB2 H 1 2.751 0.018 . 2 . . . . 1084 ASP HB2 . 11081 1
186 . 1 1 16 16 ASP HB3 H 1 2.635 0.004 . 2 . . . . 1084 ASP HB3 . 11081 1
187 . 1 1 16 16 ASP C C 13 176.461 0.010 . 1 . . . . 1084 ASP CO . 11081 1
188 . 1 1 16 16 ASP CA C 13 54.281 0.036 . 1 . . . . 1084 ASP CA . 11081 1
189 . 1 1 16 16 ASP CB C 13 40.333 0.090 . 1 . . . . 1084 ASP CB . 11081 1
190 . 1 1 16 16 ASP N N 15 116.762 0.074 . 1 . . . . 1084 ASP N . 11081 1
191 . 1 1 17 17 GLU H H 1 7.563 0.007 . 1 . . . . 1085 GLU H . 11081 1
192 . 1 1 17 17 GLU HA H 1 4.728 0.009 . 1 . . . . 1085 GLU HA . 11081 1
193 . 1 1 17 17 GLU HB2 H 1 2.159 0.030 . 2 . . . . 1085 GLU HB2 . 11081 1
194 . 1 1 17 17 GLU HB3 H 1 2.079 0.006 . 2 . . . . 1085 GLU HB3 . 11081 1
195 . 1 1 17 17 GLU HG2 H 1 2.164 0.009 . 2 . . . . 1085 GLU HG2 . 11081 1
196 . 1 1 17 17 GLU HG3 H 1 2.071 0.011 . 2 . . . . 1085 GLU HG3 . 11081 1
197 . 1 1 17 17 GLU C C 13 175.021 0.008 . 1 . . . . 1085 GLU CO . 11081 1
198 . 1 1 17 17 GLU CA C 13 55.045 0.083 . 1 . . . . 1085 GLU CA . 11081 1
199 . 1 1 17 17 GLU CB C 13 31.597 0.074 . 1 . . . . 1085 GLU CB . 11081 1
200 . 1 1 17 17 GLU CG C 13 36.598 0.064 . 1 . . . . 1085 GLU CG . 11081 1
201 . 1 1 17 17 GLU N N 15 120.081 0.024 . 1 . . . . 1085 GLU N . 11081 1
202 . 1 1 18 18 LEU H H 1 8.546 0.006 . 1 . . . . 1086 LEU H . 11081 1
203 . 1 1 18 18 LEU HA H 1 4.364 0.008 . 1 . . . . 1086 LEU HA . 11081 1
204 . 1 1 18 18 LEU HB2 H 1 1.848 0.005 . 2 . . . . 1086 LEU HB2 . 11081 1
205 . 1 1 18 18 LEU HB3 H 1 1.127 0.014 . 2 . . . . 1086 LEU HB3 . 11081 1
206 . 1 1 18 18 LEU HD11 H 1 0.863 0.006 . 1 . . . . 1086 LEU HD11 . 11081 1
207 . 1 1 18 18 LEU HD12 H 1 0.863 0.006 . 1 . . . . 1086 LEU HD12 . 11081 1
208 . 1 1 18 18 LEU HD13 H 1 0.863 0.006 . 1 . . . . 1086 LEU HD13 . 11081 1
209 . 1 1 18 18 LEU HD21 H 1 0.671 0.010 . 1 . . . . 1086 LEU HD21 . 11081 1
210 . 1 1 18 18 LEU HD22 H 1 0.671 0.010 . 1 . . . . 1086 LEU HD22 . 11081 1
211 . 1 1 18 18 LEU HD23 H 1 0.671 0.010 . 1 . . . . 1086 LEU HD23 . 11081 1
212 . 1 1 18 18 LEU HG H 1 1.620 0.010 . 1 . . . . 1086 LEU HG . 11081 1
213 . 1 1 18 18 LEU C C 13 175.329 0.009 . 1 . . . . 1086 LEU CO . 11081 1
214 . 1 1 18 18 LEU CA C 13 54.644 0.073 . 1 . . . . 1086 LEU CA . 11081 1
215 . 1 1 18 18 LEU CB C 13 45.006 0.063 . 1 . . . . 1086 LEU CB . 11081 1
216 . 1 1 18 18 LEU CD1 C 13 23.489 0.028 . 1 . . . . 1086 LEU CD1 . 11081 1
217 . 1 1 18 18 LEU CD2 C 13 25.615 0.054 . 1 . . . . 1086 LEU CD2 . 11081 1
218 . 1 1 18 18 LEU CG C 13 27.175 0.087 . 1 . . . . 1086 LEU CG . 11081 1
219 . 1 1 18 18 LEU N N 15 123.619 0.071 . 1 . . . . 1086 LEU N . 11081 1
220 . 1 1 19 19 THR H H 1 7.950 0.012 . 1 . . . . 1087 THR H . 11081 1
221 . 1 1 19 19 THR HA H 1 4.745 0.007 . 1 . . . . 1087 THR HA . 11081 1
222 . 1 1 19 19 THR HB H 1 4.078 0.006 . 1 . . . . 1087 THR HB . 11081 1
223 . 1 1 19 19 THR HG1 H 1 6.264 0.000 . 1 . . . . 1087 THR HG1 . 11081 1
224 . 1 1 19 19 THR HG21 H 1 1.366 0.009 . 1 . . . . 1087 THR HG21 . 11081 1
225 . 1 1 19 19 THR HG22 H 1 1.366 0.009 . 1 . . . . 1087 THR HG22 . 11081 1
226 . 1 1 19 19 THR HG23 H 1 1.366 0.009 . 1 . . . . 1087 THR HG23 . 11081 1
227 . 1 1 19 19 THR C C 13 174.644 0.002 . 1 . . . . 1087 THR CO . 11081 1
228 . 1 1 19 19 THR CA C 13 61.663 0.122 . 1 . . . . 1087 THR CA . 11081 1
229 . 1 1 19 19 THR CB C 13 70.446 0.101 . 1 . . . . 1087 THR CB . 11081 1
230 . 1 1 19 19 THR CG2 C 13 22.129 0.042 . 1 . . . . 1087 THR CG2 . 11081 1
231 . 1 1 19 19 THR N N 15 122.164 0.026 . 1 . . . . 1087 THR N . 11081 1
232 . 1 1 20 20 PHE H H 1 8.580 0.014 . 1 . . . . 1088 PHE H . 11081 1
233 . 1 1 20 20 PHE HA H 1 4.755 0.003 . 1 . . . . 1088 PHE HA . 11081 1
234 . 1 1 20 20 PHE HB2 H 1 3.476 0.008 . 2 . . . . 1088 PHE HB2 . 11081 1
235 . 1 1 20 20 PHE HB3 H 1 2.944 0.139 . 2 . . . . 1088 PHE HB3 . 11081 1
236 . 1 1 20 20 PHE HD1 H 1 6.890 0.010 . 3 . . . . 1088 PHE HD1 . 11081 1
237 . 1 1 20 20 PHE HD2 H 1 6.890 0.010 . 3 . . . . 1088 PHE HD2 . 11081 1
238 . 1 1 20 20 PHE HE1 H 1 7.575 0.004 . 3 . . . . 1088 PHE HE1 . 11081 1
239 . 1 1 20 20 PHE HE2 H 1 7.575 0.004 . 3 . . . . 1088 PHE HE2 . 11081 1
240 . 1 1 20 20 PHE HZ H 1 7.130 0.009 . 1 . . . . 1088 PHE HZ . 11081 1
241 . 1 1 20 20 PHE C C 13 174.701 0.014 . 1 . . . . 1088 PHE CO . 11081 1
242 . 1 1 20 20 PHE CA C 13 55.804 0.071 . 1 . . . . 1088 PHE CA . 11081 1
243 . 1 1 20 20 PHE CB C 13 40.299 0.083 . 1 . . . . 1088 PHE CB . 11081 1
244 . 1 1 20 20 PHE CD1 C 13 133.279 0.039 . 3 . . . . 1088 PHE CD1 . 11081 1
245 . 1 1 20 20 PHE CD2 C 13 133.279 0.039 . 3 . . . . 1088 PHE CD2 . 11081 1
246 . 1 1 20 20 PHE CE1 C 13 131.635 0.047 . 3 . . . . 1088 PHE CE1 . 11081 1
247 . 1 1 20 20 PHE CE2 C 13 131.635 0.047 . 3 . . . . 1088 PHE CE2 . 11081 1
248 . 1 1 20 20 PHE CZ C 13 128.733 0.026 . 1 . . . . 1088 PHE CZ . 11081 1
249 . 1 1 20 20 PHE N N 15 121.276 0.012 . 1 . . . . 1088 PHE N . 11081 1
250 . 1 1 21 21 ILE H H 1 9.428 0.005 . 1 . . . . 1089 ILE H . 11081 1
251 . 1 1 21 21 ILE HA H 1 5.081 0.006 . 1 . . . . 1089 ILE HA . 11081 1
252 . 1 1 21 21 ILE HB H 1 2.066 0.006 . 1 . . . . 1089 ILE HB . 11081 1
253 . 1 1 21 21 ILE HD11 H 1 0.858 0.005 . 1 . . . . 1089 ILE HD11 . 11081 1
254 . 1 1 21 21 ILE HD12 H 1 0.858 0.005 . 1 . . . . 1089 ILE HD12 . 11081 1
255 . 1 1 21 21 ILE HD13 H 1 0.858 0.005 . 1 . . . . 1089 ILE HD13 . 11081 1
256 . 1 1 21 21 ILE HG12 H 1 1.329 0.006 . 2 . . . . 1089 ILE HG12 . 11081 1
257 . 1 1 21 21 ILE HG13 H 1 1.024 0.009 . 2 . . . . 1089 ILE HG13 . 11081 1
258 . 1 1 21 21 ILE HG21 H 1 0.894 0.006 . 1 . . . . 1089 ILE HG21 . 11081 1
259 . 1 1 21 21 ILE HG22 H 1 0.894 0.006 . 1 . . . . 1089 ILE HG22 . 11081 1
260 . 1 1 21 21 ILE HG23 H 1 0.894 0.006 . 1 . . . . 1089 ILE HG23 . 11081 1
261 . 1 1 21 21 ILE C C 13 176.954 0.006 . 1 . . . . 1089 ILE CO . 11081 1
262 . 1 1 21 21 ILE CA C 13 59.504 0.077 . 1 . . . . 1089 ILE CA . 11081 1
263 . 1 1 21 21 ILE CB C 13 41.736 0.094 . 1 . . . . 1089 ILE CB . 11081 1
264 . 1 1 21 21 ILE CD1 C 13 13.904 0.158 . 1 . . . . 1089 ILE CD1 . 11081 1
265 . 1 1 21 21 ILE CG1 C 13 25.212 0.056 . 1 . . . . 1089 ILE CG1 . 11081 1
266 . 1 1 21 21 ILE CG2 C 13 17.872 0.100 . 1 . . . . 1089 ILE CG2 . 11081 1
267 . 1 1 21 21 ILE N N 15 116.576 0.012 . 1 . . . . 1089 ILE N . 11081 1
268 . 1 1 22 22 GLU H H 1 8.901 0.003 . 1 . . . . 1090 GLU H . 11081 1
269 . 1 1 22 22 GLU HA H 1 3.475 0.005 . 1 . . . . 1090 GLU HA . 11081 1
270 . 1 1 22 22 GLU HB2 H 1 1.837 0.010 . 2 . . . . 1090 GLU HB2 . 11081 1
271 . 1 1 22 22 GLU HB3 H 1 1.659 0.009 . 2 . . . . 1090 GLU HB3 . 11081 1
272 . 1 1 22 22 GLU HG2 H 1 2.023 0.006 . 2 . . . . 1090 GLU HG2 . 11081 1
273 . 1 1 22 22 GLU HG3 H 1 1.897 0.005 . 2 . . . . 1090 GLU HG3 . 11081 1
274 . 1 1 22 22 GLU C C 13 176.021 0.004 . 1 . . . . 1090 GLU CO . 11081 1
275 . 1 1 22 22 GLU CA C 13 58.110 0.073 . 1 . . . . 1090 GLU CA . 11081 1
276 . 1 1 22 22 GLU CB C 13 29.627 0.035 . 1 . . . . 1090 GLU CB . 11081 1
277 . 1 1 22 22 GLU CG C 13 35.327 0.057 . 1 . . . . 1090 GLU CG . 11081 1
278 . 1 1 22 22 GLU N N 15 123.577 0.039 . 1 . . . . 1090 GLU N . 11081 1
279 . 1 1 23 23 GLY H H 1 8.263 0.002 . 1 . . . . 1091 GLY H . 11081 1
280 . 1 1 23 23 GLY HA2 H 1 4.188 0.005 . 2 . . . . 1091 GLY HA2 . 11081 1
281 . 1 1 23 23 GLY HA3 H 1 3.464 0.005 . 2 . . . . 1091 GLY HA3 . 11081 1
282 . 1 1 23 23 GLY C C 13 174.454 0.002 . 1 . . . . 1091 GLY CO . 11081 1
283 . 1 1 23 23 GLY CA C 13 45.481 0.057 . 1 . . . . 1091 GLY CA . 11081 1
284 . 1 1 23 23 GLY N N 15 114.882 0.038 . 1 . . . . 1091 GLY N . 11081 1
285 . 1 1 24 24 GLU H H 1 7.872 0.013 . 1 . . . . 1092 GLU H . 11081 1
286 . 1 1 24 24 GLU HA H 1 4.421 0.005 . 1 . . . . 1092 GLU HA . 11081 1
287 . 1 1 24 24 GLU HB2 H 1 1.990 0.005 . 2 . . . . 1092 GLU HB2 . 11081 1
288 . 1 1 24 24 GLU HB3 H 1 1.883 0.011 . 2 . . . . 1092 GLU HB3 . 11081 1
289 . 1 1 24 24 GLU HG2 H 1 2.628 0.008 . 2 . . . . 1092 GLU HG2 . 11081 1
290 . 1 1 24 24 GLU HG3 H 1 1.869 0.013 . 2 . . . . 1092 GLU HG3 . 11081 1
291 . 1 1 24 24 GLU C C 13 173.978 0.001 . 1 . . . . 1092 GLU CO . 11081 1
292 . 1 1 24 24 GLU CA C 13 57.540 0.367 . 1 . . . . 1092 GLU CA . 11081 1
293 . 1 1 24 24 GLU CB C 13 31.532 0.362 . 1 . . . . 1092 GLU CB . 11081 1
294 . 1 1 24 24 GLU CG C 13 38.994 0.040 . 1 . . . . 1092 GLU CG . 11081 1
295 . 1 1 24 24 GLU N N 15 120.350 0.023 . 1 . . . . 1092 GLU N . 11081 1
296 . 1 1 25 25 VAL H H 1 8.450 0.023 . 1 . . . . 1093 VAL H . 11081 1
297 . 1 1 25 25 VAL HA H 1 4.848 0.008 . 1 . . . . 1093 VAL HA . 11081 1
298 . 1 1 25 25 VAL HB H 1 1.916 0.003 . 1 . . . . 1093 VAL HB . 11081 1
299 . 1 1 25 25 VAL HG11 H 1 0.787 0.004 . 1 . . . . 1093 VAL HG11 . 11081 1
300 . 1 1 25 25 VAL HG12 H 1 0.787 0.004 . 1 . . . . 1093 VAL HG12 . 11081 1
301 . 1 1 25 25 VAL HG13 H 1 0.787 0.004 . 1 . . . . 1093 VAL HG13 . 11081 1
302 . 1 1 25 25 VAL HG21 H 1 0.851 0.007 . 1 . . . . 1093 VAL HG21 . 11081 1
303 . 1 1 25 25 VAL HG22 H 1 0.851 0.007 . 1 . . . . 1093 VAL HG22 . 11081 1
304 . 1 1 25 25 VAL HG23 H 1 0.851 0.007 . 1 . . . . 1093 VAL HG23 . 11081 1
305 . 1 1 25 25 VAL C C 13 175.041 0.001 . 1 . . . . 1093 VAL CO . 11081 1
306 . 1 1 25 25 VAL CA C 13 61.192 0.122 . 1 . . . . 1093 VAL CA . 11081 1
307 . 1 1 25 25 VAL CB C 13 32.991 0.020 . 1 . . . . 1093 VAL CB . 11081 1
308 . 1 1 25 25 VAL CG1 C 13 21.614 0.010 . 1 . . . . 1093 VAL CG1 . 11081 1
309 . 1 1 25 25 VAL CG2 C 13 21.675 0.060 . 1 . . . . 1093 VAL CG2 . 11081 1
310 . 1 1 25 25 VAL N N 15 121.240 0.035 . 1 . . . . 1093 VAL N . 11081 1
311 . 1 1 26 26 ILE H H 1 8.860 0.019 . 1 . . . . 1094 ILE H . 11081 1
312 . 1 1 26 26 ILE HA H 1 4.243 0.006 . 1 . . . . 1094 ILE HA . 11081 1
313 . 1 1 26 26 ILE HB H 1 0.916 0.012 . 1 . . . . 1094 ILE HB . 11081 1
314 . 1 1 26 26 ILE HD11 H 1 -0.864 0.006 . 1 . . . . 1094 ILE HD11 . 11081 1
315 . 1 1 26 26 ILE HD12 H 1 -0.864 0.006 . 1 . . . . 1094 ILE HD12 . 11081 1
316 . 1 1 26 26 ILE HD13 H 1 -0.864 0.006 . 1 . . . . 1094 ILE HD13 . 11081 1
317 . 1 1 26 26 ILE HG12 H 1 0.844 0.008 . 2 . . . . 1094 ILE HG12 . 11081 1
318 . 1 1 26 26 ILE HG13 H 1 -0.001 0.256 . 2 . . . . 1094 ILE HG13 . 11081 1
319 . 1 1 26 26 ILE HG21 H 1 0.205 0.007 . 1 . . . . 1094 ILE HG21 . 11081 1
320 . 1 1 26 26 ILE HG22 H 1 0.205 0.007 . 1 . . . . 1094 ILE HG22 . 11081 1
321 . 1 1 26 26 ILE HG23 H 1 0.205 0.007 . 1 . . . . 1094 ILE HG23 . 11081 1
322 . 1 1 26 26 ILE C C 13 174.914 0.019 . 1 . . . . 1094 ILE CO . 11081 1
323 . 1 1 26 26 ILE CA C 13 59.104 0.125 . 1 . . . . 1094 ILE CA . 11081 1
324 . 1 1 26 26 ILE CB C 13 40.940 0.021 . 1 . . . . 1094 ILE CB . 11081 1
325 . 1 1 26 26 ILE CD1 C 13 13.186 0.050 . 1 . . . . 1094 ILE CD1 . 11081 1
326 . 1 1 26 26 ILE CG1 C 13 28.009 0.070 . 1 . . . . 1094 ILE CG1 . 11081 1
327 . 1 1 26 26 ILE CG2 C 13 17.243 0.007 . 1 . . . . 1094 ILE CG2 . 11081 1
328 . 1 1 26 26 ILE N N 15 127.693 0.058 . 1 . . . . 1094 ILE N . 11081 1
329 . 1 1 27 27 ILE H H 1 8.953 0.007 . 1 . . . . 1095 ILE H . 11081 1
330 . 1 1 27 27 ILE HA H 1 4.298 0.007 . 1 . . . . 1095 ILE HA . 11081 1
331 . 1 1 27 27 ILE HB H 1 0.937 0.013 . 1 . . . . 1095 ILE HB . 11081 1
332 . 1 1 27 27 ILE HD11 H 1 0.779 0.008 . 1 . . . . 1095 ILE HD11 . 11081 1
333 . 1 1 27 27 ILE HD12 H 1 0.779 0.008 . 1 . . . . 1095 ILE HD12 . 11081 1
334 . 1 1 27 27 ILE HD13 H 1 0.779 0.008 . 1 . . . . 1095 ILE HD13 . 11081 1
335 . 1 1 27 27 ILE HG12 H 1 1.331 0.010 . 2 . . . . 1095 ILE HG12 . 11081 1
336 . 1 1 27 27 ILE HG13 H 1 1.097 0.013 . 2 . . . . 1095 ILE HG13 . 11081 1
337 . 1 1 27 27 ILE HG21 H 1 0.682 0.018 . 1 . . . . 1095 ILE HG21 . 11081 1
338 . 1 1 27 27 ILE HG22 H 1 0.682 0.018 . 1 . . . . 1095 ILE HG22 . 11081 1
339 . 1 1 27 27 ILE HG23 H 1 0.682 0.018 . 1 . . . . 1095 ILE HG23 . 11081 1
340 . 1 1 27 27 ILE C C 13 175.185 0.002 . 1 . . . . 1095 ILE CO . 11081 1
341 . 1 1 27 27 ILE CA C 13 58.280 0.115 . 1 . . . . 1095 ILE CA . 11081 1
342 . 1 1 27 27 ILE CB C 13 35.998 0.129 . 1 . . . . 1095 ILE CB . 11081 1
343 . 1 1 27 27 ILE CD1 C 13 11.280 0.059 . 1 . . . . 1095 ILE CD1 . 11081 1
344 . 1 1 27 27 ILE CG1 C 13 26.911 0.041 . 1 . . . . 1095 ILE CG1 . 11081 1
345 . 1 1 27 27 ILE CG2 C 13 16.927 0.042 . 1 . . . . 1095 ILE CG2 . 11081 1
346 . 1 1 27 27 ILE N N 15 126.496 0.040 . 1 . . . . 1095 ILE N . 11081 1
347 . 1 1 28 28 VAL H H 1 8.541 0.025 . 1 . . . . 1096 VAL H . 11081 1
348 . 1 1 28 28 VAL HA H 1 4.319 0.008 . 1 . . . . 1096 VAL HA . 11081 1
349 . 1 1 28 28 VAL HB H 1 1.977 0.013 . 1 . . . . 1096 VAL HB . 11081 1
350 . 1 1 28 28 VAL HG11 H 1 0.966 0.010 . 1 . . . . 1096 VAL HG11 . 11081 1
351 . 1 1 28 28 VAL HG12 H 1 0.966 0.010 . 1 . . . . 1096 VAL HG12 . 11081 1
352 . 1 1 28 28 VAL HG13 H 1 0.966 0.010 . 1 . . . . 1096 VAL HG13 . 11081 1
353 . 1 1 28 28 VAL HG21 H 1 1.217 0.008 . 1 . . . . 1096 VAL HG21 . 11081 1
354 . 1 1 28 28 VAL HG22 H 1 1.217 0.008 . 1 . . . . 1096 VAL HG22 . 11081 1
355 . 1 1 28 28 VAL HG23 H 1 1.217 0.008 . 1 . . . . 1096 VAL HG23 . 11081 1
356 . 1 1 28 28 VAL C C 13 177.101 0.003 . 1 . . . . 1096 VAL CO . 11081 1
357 . 1 1 28 28 VAL CA C 13 63.592 0.075 . 1 . . . . 1096 VAL CA . 11081 1
358 . 1 1 28 28 VAL CB C 13 32.214 0.078 . 1 . . . . 1096 VAL CB . 11081 1
359 . 1 1 28 28 VAL CG1 C 13 21.935 0.026 . 1 . . . . 1096 VAL CG1 . 11081 1
360 . 1 1 28 28 VAL CG2 C 13 24.011 0.091 . 1 . . . . 1096 VAL CG2 . 11081 1
361 . 1 1 28 28 VAL N N 15 127.590 0.141 . 1 . . . . 1096 VAL N . 11081 1
362 . 1 1 29 29 THR H H 1 9.627 0.003 . 1 . . . . 1097 THR H . 11081 1
363 . 1 1 29 29 THR HA H 1 4.585 0.007 . 1 . . . . 1097 THR HA . 11081 1
364 . 1 1 29 29 THR HB H 1 4.458 0.011 . 1 . . . . 1097 THR HB . 11081 1
365 . 1 1 29 29 THR HG21 H 1 1.298 0.010 . 1 . . . . 1097 THR HG21 . 11081 1
366 . 1 1 29 29 THR HG22 H 1 1.298 0.010 . 1 . . . . 1097 THR HG22 . 11081 1
367 . 1 1 29 29 THR HG23 H 1 1.298 0.010 . 1 . . . . 1097 THR HG23 . 11081 1
368 . 1 1 29 29 THR C C 13 174.901 0.005 . 1 . . . . 1097 THR CO . 11081 1
369 . 1 1 29 29 THR CA C 13 61.480 0.064 . 1 . . . . 1097 THR CA . 11081 1
370 . 1 1 29 29 THR CB C 13 69.335 0.055 . 1 . . . . 1097 THR CB . 11081 1
371 . 1 1 29 29 THR CG2 C 13 21.459 0.033 . 1 . . . . 1097 THR CG2 . 11081 1
372 . 1 1 29 29 THR N N 15 119.737 0.144 . 1 . . . . 1097 THR N . 11081 1
373 . 1 1 30 30 GLY H H 1 7.991 0.007 . 1 . . . . 1098 GLY H . 11081 1
374 . 1 1 30 30 GLY HA2 H 1 4.101 0.010 . 2 . . . . 1098 GLY HA2 . 11081 1
375 . 1 1 30 30 GLY HA3 H 1 3.883 0.007 . 2 . . . . 1098 GLY HA3 . 11081 1
376 . 1 1 30 30 GLY C C 13 170.470 0.001 . 1 . . . . 1098 GLY CO . 11081 1
377 . 1 1 30 30 GLY CA C 13 45.629 0.071 . 1 . . . . 1098 GLY CA . 11081 1
378 . 1 1 30 30 GLY N N 15 110.841 0.067 . 1 . . . . 1098 GLY N . 11081 1
379 . 1 1 31 31 GLU H H 1 8.377 0.010 . 1 . . . . 1099 GLU H . 11081 1
380 . 1 1 31 31 GLU HA H 1 4.597 0.009 . 1 . . . . 1099 GLU HA . 11081 1
381 . 1 1 31 31 GLU HB2 H 1 1.759 0.013 . 2 . . . . 1099 GLU HB2 . 11081 1
382 . 1 1 31 31 GLU HB3 H 1 1.619 0.016 . 2 . . . . 1099 GLU HB3 . 11081 1
383 . 1 1 31 31 GLU HG2 H 1 1.559 0.013 . 2 . . . . 1099 GLU HG2 . 11081 1
384 . 1 1 31 31 GLU HG3 H 1 1.013 0.019 . 2 . . . . 1099 GLU HG3 . 11081 1
385 . 1 1 31 31 GLU C C 13 175.431 0.004 . 1 . . . . 1099 GLU CO . 11081 1
386 . 1 1 31 31 GLU CA C 13 55.206 0.101 . 1 . . . . 1099 GLU CA . 11081 1
387 . 1 1 31 31 GLU CB C 13 31.868 0.075 . 1 . . . . 1099 GLU CB . 11081 1
388 . 1 1 31 31 GLU CG C 13 34.454 0.037 . 1 . . . . 1099 GLU CG . 11081 1
389 . 1 1 31 31 GLU N N 15 117.910 0.137 . 1 . . . . 1099 GLU N . 11081 1
390 . 1 1 32 32 GLU H H 1 8.685 0.030 . 1 . . . . 1100 GLU H . 11081 1
391 . 1 1 32 32 GLU HA H 1 4.394 0.007 . 1 . . . . 1100 GLU HA . 11081 1
392 . 1 1 32 32 GLU HB2 H 1 2.068 0.028 . 2 . . . . 1100 GLU HB2 . 11081 1
393 . 1 1 32 32 GLU HB3 H 1 1.967 0.009 . 2 . . . . 1100 GLU HB3 . 11081 1
394 . 1 1 32 32 GLU HG2 H 1 2.142 0.021 . 2 . . . . 1100 GLU HG2 . 11081 1
395 . 1 1 32 32 GLU HG3 H 1 2.066 0.003 . 2 . . . . 1100 GLU HG3 . 11081 1
396 . 1 1 32 32 GLU C C 13 176.330 0.010 . 1 . . . . 1100 GLU CO . 11081 1
397 . 1 1 32 32 GLU CA C 13 58.387 0.122 . 1 . . . . 1100 GLU CA . 11081 1
398 . 1 1 32 32 GLU CB C 13 30.343 0.072 . 1 . . . . 1100 GLU CB . 11081 1
399 . 1 1 32 32 GLU CG C 13 36.141 0.030 . 1 . . . . 1100 GLU CG . 11081 1
400 . 1 1 32 32 GLU N N 15 124.534 0.023 . 1 . . . . 1100 GLU N . 11081 1
401 . 1 1 33 33 ASP H H 1 8.722 0.025 . 1 . . . . 1101 ASP H . 11081 1
402 . 1 1 33 33 ASP HA H 1 4.566 0.005 . 1 . . . . 1101 ASP HA . 11081 1
403 . 1 1 33 33 ASP HB2 H 1 3.170 0.016 . 2 . . . . 1101 ASP HB2 . 11081 1
404 . 1 1 33 33 ASP HB3 H 1 3.116 0.002 . 2 . . . . 1101 ASP HB3 . 11081 1
405 . 1 1 33 33 ASP C C 13 175.159 0.002 . 1 . . . . 1101 ASP CO . 11081 1
406 . 1 1 33 33 ASP CA C 13 53.782 0.043 . 1 . . . . 1101 ASP CA . 11081 1
407 . 1 1 33 33 ASP CB C 13 40.855 0.035 . 1 . . . . 1101 ASP CB . 11081 1
408 . 1 1 33 33 ASP N N 15 118.603 0.026 . 1 . . . . 1101 ASP N . 11081 1
409 . 1 1 34 34 GLN H H 1 8.226 0.010 . 1 . . . . 1102 GLN H . 11081 1
410 . 1 1 34 34 GLN HA H 1 4.393 0.007 . 1 . . . . 1102 GLN HA . 11081 1
411 . 1 1 34 34 GLN HB2 H 1 2.190 0.004 . 2 . . . . 1102 GLN HB2 . 11081 1
412 . 1 1 34 34 GLN HB3 H 1 2.124 0.005 . 2 . . . . 1102 GLN HB3 . 11081 1
413 . 1 1 34 34 GLN HG2 H 1 2.479 0.007 . 2 . . . . 1102 GLN HG2 . 11081 1
414 . 1 1 34 34 GLN C C 13 176.466 0.010 . 1 . . . . 1102 GLN CO . 11081 1
415 . 1 1 34 34 GLN CA C 13 58.036 0.090 . 1 . . . . 1102 GLN CA . 11081 1
416 . 1 1 34 34 GLN CB C 13 28.998 0.039 . 1 . . . . 1102 GLN CB . 11081 1
417 . 1 1 34 34 GLN CG C 13 34.291 0.019 . 1 . . . . 1102 GLN CG . 11081 1
418 . 1 1 34 34 GLN N N 15 113.020 0.092 . 1 . . . . 1102 GLN N . 11081 1
419 . 1 1 35 35 GLU H H 1 8.754 0.004 . 1 . . . . 1103 GLU H . 11081 1
420 . 1 1 35 35 GLU HA H 1 4.151 0.008 . 1 . . . . 1103 GLU HA . 11081 1
421 . 1 1 35 35 GLU HB2 H 1 2.033 0.007 . 2 . . . . 1103 GLU HB2 . 11081 1
422 . 1 1 35 35 GLU HB3 H 1 1.795 0.013 . 2 . . . . 1103 GLU HB3 . 11081 1
423 . 1 1 35 35 GLU HG2 H 1 2.072 0.002 . 2 . . . . 1103 GLU HG2 . 11081 1
424 . 1 1 35 35 GLU HG3 H 1 2.007 0.008 . 2 . . . . 1103 GLU HG3 . 11081 1
425 . 1 1 35 35 GLU C C 13 176.104 0.000 . 1 . . . . 1103 GLU CO . 11081 1
426 . 1 1 35 35 GLU CA C 13 56.638 0.032 . 1 . . . . 1103 GLU CA . 11081 1
427 . 1 1 35 35 GLU CB C 13 32.157 0.053 . 1 . . . . 1103 GLU CB . 11081 1
428 . 1 1 35 35 GLU CG C 13 36.942 0.036 . 1 . . . . 1103 GLU CG . 11081 1
429 . 1 1 35 35 GLU N N 15 116.952 0.056 . 1 . . . . 1103 GLU N . 11081 1
430 . 1 1 36 36 TRP H H 1 8.199 0.008 . 1 . . . . 1104 TRP H . 11081 1
431 . 1 1 36 36 TRP HA H 1 4.946 0.008 . 1 . . . . 1104 TRP HA . 11081 1
432 . 1 1 36 36 TRP HB2 H 1 2.939 0.010 . 2 . . . . 1104 TRP HB2 . 11081 1
433 . 1 1 36 36 TRP HB3 H 1 2.780 0.007 . 2 . . . . 1104 TRP HB3 . 11081 1
434 . 1 1 36 36 TRP HD1 H 1 7.636 0.011 . 1 . . . . 1104 TRP HD1 . 11081 1
435 . 1 1 36 36 TRP HE1 H 1 9.967 0.001 . 1 . . . . 1104 TRP HE1 . 11081 1
436 . 1 1 36 36 TRP HE3 H 1 7.119 0.010 . 1 . . . . 1104 TRP HE3 . 11081 1
437 . 1 1 36 36 TRP HH2 H 1 7.073 0.005 . 1 . . . . 1104 TRP HH2 . 11081 1
438 . 1 1 36 36 TRP HZ2 H 1 7.330 0.002 . 1 . . . . 1104 TRP HZ2 . 11081 1
439 . 1 1 36 36 TRP HZ3 H 1 6.816 0.008 . 1 . . . . 1104 TRP HZ3 . 11081 1
440 . 1 1 36 36 TRP C C 13 174.654 0.002 . 1 . . . . 1104 TRP CO . 11081 1
441 . 1 1 36 36 TRP CA C 13 56.258 0.056 . 1 . . . . 1104 TRP CA . 11081 1
442 . 1 1 36 36 TRP CB C 13 30.682 0.046 . 1 . . . . 1104 TRP CB . 11081 1
443 . 1 1 36 36 TRP CD1 C 13 128.808 0.023 . 1 . . . . 1104 TRP CD1 . 11081 1
444 . 1 1 36 36 TRP CE3 C 13 119.796 0.033 . 1 . . . . 1104 TRP CE3 . 11081 1
445 . 1 1 36 36 TRP CH2 C 13 124.378 0.000 . 1 . . . . 1104 TRP CH2 . 11081 1
446 . 1 1 36 36 TRP CZ2 C 13 114.500 0.033 . 1 . . . . 1104 TRP CZ2 . 11081 1
447 . 1 1 36 36 TRP CZ3 C 13 120.572 0.101 . 1 . . . . 1104 TRP CZ3 . 11081 1
448 . 1 1 36 36 TRP N N 15 122.763 0.028 . 1 . . . . 1104 TRP N . 11081 1
449 . 1 1 36 36 TRP NE1 N 15 128.801 0.017 . 1 . . . . 1104 TRP NE1 . 11081 1
450 . 1 1 37 37 TRP H H 1 8.332 0.016 . 1 . . . . 1105 TRP H . 11081 1
451 . 1 1 37 37 TRP HA H 1 5.251 0.009 . 1 . . . . 1105 TRP HA . 11081 1
452 . 1 1 37 37 TRP HB2 H 1 3.192 0.010 . 2 . . . . 1105 TRP HB2 . 11081 1
453 . 1 1 37 37 TRP HB3 H 1 2.213 0.013 . 2 . . . . 1105 TRP HB3 . 11081 1
454 . 1 1 37 37 TRP HD1 H 1 7.373 0.017 . 1 . . . . 1105 TRP HD1 . 11081 1
455 . 1 1 37 37 TRP HE1 H 1 9.536 0.004 . 1 . . . . 1105 TRP HE1 . 11081 1
456 . 1 1 37 37 TRP HE3 H 1 7.419 0.010 . 1 . . . . 1105 TRP HE3 . 11081 1
457 . 1 1 37 37 TRP HH2 H 1 7.087 0.005 . 1 . . . . 1105 TRP HH2 . 11081 1
458 . 1 1 37 37 TRP HZ2 H 1 7.421 0.003 . 1 . . . . 1105 TRP HZ2 . 11081 1
459 . 1 1 37 37 TRP HZ3 H 1 6.819 0.005 . 1 . . . . 1105 TRP HZ3 . 11081 1
460 . 1 1 37 37 TRP C C 13 172.192 0.001 . 1 . . . . 1105 TRP CO . 11081 1
461 . 1 1 37 37 TRP CA C 13 52.733 0.065 . 1 . . . . 1105 TRP CA . 11081 1
462 . 1 1 37 37 TRP CB C 13 33.899 0.034 . 1 . . . . 1105 TRP CB . 11081 1
463 . 1 1 37 37 TRP CD1 C 13 123.863 0.023 . 1 . . . . 1105 TRP CD1 . 11081 1
464 . 1 1 37 37 TRP CE3 C 13 120.334 0.043 . 1 . . . . 1105 TRP CE3 . 11081 1
465 . 1 1 37 37 TRP CH2 C 13 124.077 0.036 . 1 . . . . 1105 TRP CH2 . 11081 1
466 . 1 1 37 37 TRP CZ2 C 13 115.055 0.047 . 1 . . . . 1105 TRP CZ2 . 11081 1
467 . 1 1 37 37 TRP CZ3 C 13 119.814 0.066 . 1 . . . . 1105 TRP CZ3 . 11081 1
468 . 1 1 37 37 TRP N N 15 125.709 0.058 . 1 . . . . 1105 TRP N . 11081 1
469 . 1 1 37 37 TRP NE1 N 15 127.940 0.025 . 1 . . . . 1105 TRP NE1 . 11081 1
470 . 1 1 38 38 ILE H H 1 8.343 0.004 . 1 . . . . 1106 ILE H . 11081 1
471 . 1 1 38 38 ILE HA H 1 4.873 0.007 . 1 . . . . 1106 ILE HA . 11081 1
472 . 1 1 38 38 ILE HB H 1 1.269 0.010 . 1 . . . . 1106 ILE HB . 11081 1
473 . 1 1 38 38 ILE HD11 H 1 0.762 0.009 . 1 . . . . 1106 ILE HD11 . 11081 1
474 . 1 1 38 38 ILE HD12 H 1 0.762 0.009 . 1 . . . . 1106 ILE HD12 . 11081 1
475 . 1 1 38 38 ILE HD13 H 1 0.762 0.009 . 1 . . . . 1106 ILE HD13 . 11081 1
476 . 1 1 38 38 ILE HG12 H 1 1.344 0.008 . 2 . . . . 1106 ILE HG12 . 11081 1
477 . 1 1 38 38 ILE HG13 H 1 0.976 0.010 . 2 . . . . 1106 ILE HG13 . 11081 1
478 . 1 1 38 38 ILE HG21 H 1 0.851 0.007 . 1 . . . . 1106 ILE HG21 . 11081 1
479 . 1 1 38 38 ILE HG22 H 1 0.851 0.007 . 1 . . . . 1106 ILE HG22 . 11081 1
480 . 1 1 38 38 ILE HG23 H 1 0.851 0.007 . 1 . . . . 1106 ILE HG23 . 11081 1
481 . 1 1 38 38 ILE C C 13 176.059 0.006 . 1 . . . . 1106 ILE CO . 11081 1
482 . 1 1 38 38 ILE CA C 13 60.270 0.083 . 1 . . . . 1106 ILE CA . 11081 1
483 . 1 1 38 38 ILE CB C 13 41.635 0.038 . 1 . . . . 1106 ILE CB . 11081 1
484 . 1 1 38 38 ILE CD1 C 13 14.285 0.033 . 1 . . . . 1106 ILE CD1 . 11081 1
485 . 1 1 38 38 ILE CG1 C 13 28.190 0.050 . 1 . . . . 1106 ILE CG1 . 11081 1
486 . 1 1 38 38 ILE CG2 C 13 17.553 0.031 . 1 . . . . 1106 ILE CG2 . 11081 1
487 . 1 1 38 38 ILE N N 15 117.802 0.034 . 1 . . . . 1106 ILE N . 11081 1
488 . 1 1 39 39 GLY H H 1 8.766 0.018 . 1 . . . . 1107 GLY H . 11081 1
489 . 1 1 39 39 GLY HA2 H 1 4.841 0.010 . 2 . . . . 1107 GLY HA2 . 11081 1
490 . 1 1 39 39 GLY HA3 H 1 4.583 0.006 . 2 . . . . 1107 GLY HA3 . 11081 1
491 . 1 1 39 39 GLY C C 13 170.822 0.007 . 1 . . . . 1107 GLY CO . 11081 1
492 . 1 1 39 39 GLY CA C 13 47.118 0.092 . 1 . . . . 1107 GLY CA . 11081 1
493 . 1 1 39 39 GLY N N 15 112.548 0.040 . 1 . . . . 1107 GLY N . 11081 1
494 . 1 1 40 40 HIS H H 1 8.357 0.004 . 1 . . . . 1108 HIS H . 11081 1
495 . 1 1 40 40 HIS HA H 1 5.928 0.009 . 1 . . . . 1108 HIS HA . 11081 1
496 . 1 1 40 40 HIS HB2 H 1 3.351 0.010 . 2 . . . . 1108 HIS HB2 . 11081 1
497 . 1 1 40 40 HIS HB3 H 1 3.002 0.009 . 2 . . . . 1108 HIS HB3 . 11081 1
498 . 1 1 40 40 HIS HD2 H 1 6.825 0.006 . 1 . . . . 1108 HIS HD2 . 11081 1
499 . 1 1 40 40 HIS HE1 H 1 7.863 0.003 . 1 . . . . 1108 HIS HE1 . 11081 1
500 . 1 1 40 40 HIS C C 13 173.250 0.005 . 1 . . . . 1108 HIS CO . 11081 1
501 . 1 1 40 40 HIS CA C 13 53.260 0.026 . 1 . . . . 1108 HIS CA . 11081 1
502 . 1 1 40 40 HIS CB C 13 33.795 0.093 . 1 . . . . 1108 HIS CB . 11081 1
503 . 1 1 40 40 HIS CD2 C 13 125.050 0.063 . 1 . . . . 1108 HIS CD2 . 11081 1
504 . 1 1 40 40 HIS CE1 C 13 137.684 0.018 . 1 . . . . 1108 HIS CE1 . 11081 1
505 . 1 1 40 40 HIS N N 15 113.260 0.285 . 1 . . . . 1108 HIS N . 11081 1
506 . 1 1 41 41 ILE H H 1 8.350 0.024 . 1 . . . . 1109 ILE H . 11081 1
507 . 1 1 41 41 ILE HA H 1 4.253 0.004 . 1 . . . . 1109 ILE HA . 11081 1
508 . 1 1 41 41 ILE HB H 1 2.396 0.009 . 1 . . . . 1109 ILE HB . 11081 1
509 . 1 1 41 41 ILE HD11 H 1 0.602 0.005 . 1 . . . . 1109 ILE HD11 . 11081 1
510 . 1 1 41 41 ILE HD12 H 1 0.602 0.005 . 1 . . . . 1109 ILE HD12 . 11081 1
511 . 1 1 41 41 ILE HD13 H 1 0.602 0.005 . 1 . . . . 1109 ILE HD13 . 11081 1
512 . 1 1 41 41 ILE HG12 H 1 1.705 0.007 . 2 . . . . 1109 ILE HG12 . 11081 1
513 . 1 1 41 41 ILE HG13 H 1 1.293 0.008 . 2 . . . . 1109 ILE HG13 . 11081 1
514 . 1 1 41 41 ILE HG21 H 1 1.036 0.007 . 1 . . . . 1109 ILE HG21 . 11081 1
515 . 1 1 41 41 ILE HG22 H 1 1.036 0.007 . 1 . . . . 1109 ILE HG22 . 11081 1
516 . 1 1 41 41 ILE HG23 H 1 1.036 0.007 . 1 . . . . 1109 ILE HG23 . 11081 1
517 . 1 1 41 41 ILE C C 13 178.146 0.002 . 1 . . . . 1109 ILE CO . 11081 1
518 . 1 1 41 41 ILE CA C 13 58.667 0.102 . 1 . . . . 1109 ILE CA . 11081 1
519 . 1 1 41 41 ILE CB C 13 35.363 0.062 . 1 . . . . 1109 ILE CB . 11081 1
520 . 1 1 41 41 ILE CD1 C 13 8.892 0.028 . 1 . . . . 1109 ILE CD1 . 11081 1
521 . 1 1 41 41 ILE CG1 C 13 26.177 0.056 . 1 . . . . 1109 ILE CG1 . 11081 1
522 . 1 1 41 41 ILE CG2 C 13 16.293 0.052 . 1 . . . . 1109 ILE CG2 . 11081 1
523 . 1 1 41 41 ILE N N 15 122.782 0.176 . 1 . . . . 1109 ILE N . 11081 1
524 . 1 1 42 42 GLU H H 1 9.170 0.006 . 1 . . . . 1110 GLU H . 11081 1
525 . 1 1 42 42 GLU HA H 1 3.930 0.006 . 1 . . . . 1110 GLU HA . 11081 1
526 . 1 1 42 42 GLU HB2 H 1 2.090 0.012 . 2 . . . . 1110 GLU HB2 . 11081 1
527 . 1 1 42 42 GLU HB3 H 1 1.660 0.010 . 2 . . . . 1110 GLU HB3 . 11081 1
528 . 1 1 42 42 GLU HG2 H 1 2.080 0.008 . 2 . . . . 1110 GLU HG2 . 11081 1
529 . 1 1 42 42 GLU HG3 H 1 2.143 0.029 . 2 . . . . 1110 GLU HG3 . 11081 1
530 . 1 1 42 42 GLU C C 13 176.775 0.000 . 1 . . . . 1110 GLU CO . 11081 1
531 . 1 1 42 42 GLU CA C 13 59.035 0.034 . 1 . . . . 1110 GLU CA . 11081 1
532 . 1 1 42 42 GLU CB C 13 29.657 0.069 . 1 . . . . 1110 GLU CB . 11081 1
533 . 1 1 42 42 GLU CG C 13 36.712 0.017 . 1 . . . . 1110 GLU CG . 11081 1
534 . 1 1 42 42 GLU N N 15 132.349 0.033 . 1 . . . . 1110 GLU N . 11081 1
535 . 1 1 43 43 GLY HA2 H 1 3.802 0.008 . 2 . . . . 1111 GLY HA2 . 11081 1
536 . 1 1 43 43 GLY HA3 H 1 4.385 0.000 . 2 . . . . 1111 GLY HA3 . 11081 1
537 . 1 1 43 43 GLY CA C 13 44.971 0.000 . 1 . . . . 1111 GLY CA . 11081 1
538 . 1 1 44 44 GLN HA H 1 4.902 0.006 . 1 . . . . 1112 GLN HA . 11081 1
539 . 1 1 44 44 GLN HB2 H 1 2.085 0.008 . 2 . . . . 1112 GLN HB2 . 11081 1
540 . 1 1 44 44 GLN HB3 H 1 1.791 0.007 . 2 . . . . 1112 GLN HB3 . 11081 1
541 . 1 1 44 44 GLN HG2 H 1 2.376 0.023 . 2 . . . . 1112 GLN HG2 . 11081 1
542 . 1 1 44 44 GLN HG3 H 1 2.261 0.006 . 2 . . . . 1112 GLN HG3 . 11081 1
543 . 1 1 44 44 GLN CA C 13 53.669 0.036 . 1 . . . . 1112 GLN CA . 11081 1
544 . 1 1 44 44 GLN CB C 13 30.491 0.079 . 1 . . . . 1112 GLN CB . 11081 1
545 . 1 1 44 44 GLN CG C 13 34.007 0.070 . 1 . . . . 1112 GLN CG . 11081 1
546 . 1 1 45 45 PRO HA H 1 3.886 0.011 . 1 . . . . 1113 PRO HA . 11081 1
547 . 1 1 45 45 PRO HB2 H 1 1.654 0.009 . 2 . . . . 1113 PRO HB2 . 11081 1
548 . 1 1 45 45 PRO HD2 H 1 3.666 0.007 . 2 . . . . 1113 PRO HD2 . 11081 1
549 . 1 1 45 45 PRO HD3 H 1 3.345 0.008 . 2 . . . . 1113 PRO HD3 . 11081 1
550 . 1 1 45 45 PRO HG2 H 1 1.870 0.009 . 2 . . . . 1113 PRO HG2 . 11081 1
551 . 1 1 45 45 PRO HG3 H 1 1.799 0.003 . 2 . . . . 1113 PRO HG3 . 11081 1
552 . 1 1 45 45 PRO C C 13 176.444 0.002 . 1 . . . . 1113 PRO CO . 11081 1
553 . 1 1 45 45 PRO CA C 13 64.401 0.041 . 1 . . . . 1113 PRO CA . 11081 1
554 . 1 1 45 45 PRO CB C 13 31.497 0.051 . 1 . . . . 1113 PRO CB . 11081 1
555 . 1 1 45 45 PRO CD C 13 49.989 0.058 . 1 . . . . 1113 PRO CD . 11081 1
556 . 1 1 45 45 PRO CG C 13 27.228 0.024 . 1 . . . . 1113 PRO CG . 11081 1
557 . 1 1 46 46 GLU H H 1 9.179 0.019 . 1 . . . . 1114 GLU H . 11081 1
558 . 1 1 46 46 GLU HA H 1 4.221 0.007 . 1 . . . . 1114 GLU HA . 11081 1
559 . 1 1 46 46 GLU HB2 H 1 2.095 0.010 . 2 . . . . 1114 GLU HB2 . 11081 1
560 . 1 1 46 46 GLU HB3 H 1 1.978 0.008 . 2 . . . . 1114 GLU HB3 . 11081 1
561 . 1 1 46 46 GLU HG2 H 1 2.365 0.004 . 2 . . . . 1114 GLU HG2 . 11081 1
562 . 1 1 46 46 GLU HG3 H 1 2.198 0.006 . 2 . . . . 1114 GLU HG3 . 11081 1
563 . 1 1 46 46 GLU C C 13 177.660 0.002 . 1 . . . . 1114 GLU CO . 11081 1
564 . 1 1 46 46 GLU CA C 13 57.548 0.073 . 1 . . . . 1114 GLU CA . 11081 1
565 . 1 1 46 46 GLU CB C 13 28.124 0.060 . 1 . . . . 1114 GLU CB . 11081 1
566 . 1 1 46 46 GLU CG C 13 36.133 0.063 . 1 . . . . 1114 GLU CG . 11081 1
567 . 1 1 46 46 GLU N N 15 116.865 0.023 . 1 . . . . 1114 GLU N . 11081 1
568 . 1 1 47 47 ARG H H 1 8.347 0.004 . 1 . . . . 1115 ARG H . 11081 1
569 . 1 1 47 47 ARG HA H 1 4.537 0.009 . 1 . . . . 1115 ARG HA . 11081 1
570 . 1 1 47 47 ARG HB2 H 1 1.996 0.006 . 2 . . . . 1115 ARG HB2 . 11081 1
571 . 1 1 47 47 ARG HB3 H 1 1.984 0.005 . 2 . . . . 1115 ARG HB3 . 11081 1
572 . 1 1 47 47 ARG HD2 H 1 3.464 0.005 . 2 . . . . 1115 ARG HD2 . 11081 1
573 . 1 1 47 47 ARG HD3 H 1 3.060 0.011 . 2 . . . . 1115 ARG HD3 . 11081 1
574 . 1 1 47 47 ARG HG2 H 1 1.708 0.015 . 2 . . . . 1115 ARG HG2 . 11081 1
575 . 1 1 47 47 ARG C C 13 172.465 0.007 . 1 . . . . 1115 ARG CO . 11081 1
576 . 1 1 47 47 ARG CA C 13 55.719 0.102 . 1 . . . . 1115 ARG CA . 11081 1
577 . 1 1 47 47 ARG CB C 13 29.819 0.062 . 1 . . . . 1115 ARG CB . 11081 1
578 . 1 1 47 47 ARG CD C 13 44.477 0.033 . 1 . . . . 1115 ARG CD . 11081 1
579 . 1 1 47 47 ARG CG C 13 26.405 0.016 . 1 . . . . 1115 ARG CG . 11081 1
580 . 1 1 47 47 ARG N N 15 124.206 0.054 . 1 . . . . 1115 ARG N . 11081 1
581 . 1 1 48 48 LYS H H 1 7.787 0.017 . 1 . . . . 1116 LYS H . 11081 1
582 . 1 1 48 48 LYS HA H 1 5.615 0.006 . 1 . . . . 1116 LYS HA . 11081 1
583 . 1 1 48 48 LYS HB2 H 1 1.987 0.008 . 2 . . . . 1116 LYS HB2 . 11081 1
584 . 1 1 48 48 LYS HB3 H 1 1.824 0.009 . 2 . . . . 1116 LYS HB3 . 11081 1
585 . 1 1 48 48 LYS HD2 H 1 1.670 0.010 . 2 . . . . 1116 LYS HD2 . 11081 1
586 . 1 1 48 48 LYS HE2 H 1 2.979 0.006 . 2 . . . . 1116 LYS HE2 . 11081 1
587 . 1 1 48 48 LYS HG2 H 1 1.375 0.006 . 2 . . . . 1116 LYS HG2 . 11081 1
588 . 1 1 48 48 LYS C C 13 175.124 0.010 . 1 . . . . 1116 LYS CO . 11081 1
589 . 1 1 48 48 LYS CA C 13 53.913 0.036 . 1 . . . . 1116 LYS CA . 11081 1
590 . 1 1 48 48 LYS CB C 13 36.395 0.052 . 1 . . . . 1116 LYS CB . 11081 1
591 . 1 1 48 48 LYS CD C 13 29.520 0.034 . 1 . . . . 1116 LYS CD . 11081 1
592 . 1 1 48 48 LYS CE C 13 42.093 0.038 . 1 . . . . 1116 LYS CE . 11081 1
593 . 1 1 48 48 LYS CG C 13 23.415 0.036 . 1 . . . . 1116 LYS CG . 11081 1
594 . 1 1 48 48 LYS N N 15 120.625 0.089 . 1 . . . . 1116 LYS N . 11081 1
595 . 1 1 49 49 GLY H H 1 9.015 0.004 . 1 . . . . 1117 GLY H . 11081 1
596 . 1 1 49 49 GLY HA2 H 1 4.372 0.009 . 2 . . . . 1117 GLY HA2 . 11081 1
597 . 1 1 49 49 GLY HA3 H 1 4.131 0.009 . 2 . . . . 1117 GLY HA3 . 11081 1
598 . 1 1 49 49 GLY C C 13 171.487 0.006 . 1 . . . . 1117 GLY CO . 11081 1
599 . 1 1 49 49 GLY CA C 13 45.138 0.055 . 1 . . . . 1117 GLY CA . 11081 1
600 . 1 1 49 49 GLY N N 15 108.596 0.091 . 1 . . . . 1117 GLY N . 11081 1
601 . 1 1 50 50 VAL H H 1 8.522 0.030 . 1 . . . . 1118 VAL H . 11081 1
602 . 1 1 50 50 VAL HA H 1 5.585 0.008 . 1 . . . . 1118 VAL HA . 11081 1
603 . 1 1 50 50 VAL HB H 1 2.102 0.008 . 1 . . . . 1118 VAL HB . 11081 1
604 . 1 1 50 50 VAL HG11 H 1 0.996 0.011 . 1 . . . . 1118 VAL HG11 . 11081 1
605 . 1 1 50 50 VAL HG12 H 1 0.996 0.011 . 1 . . . . 1118 VAL HG12 . 11081 1
606 . 1 1 50 50 VAL HG13 H 1 0.996 0.011 . 1 . . . . 1118 VAL HG13 . 11081 1
607 . 1 1 50 50 VAL HG21 H 1 0.906 0.008 . 1 . . . . 1118 VAL HG21 . 11081 1
608 . 1 1 50 50 VAL HG22 H 1 0.906 0.008 . 1 . . . . 1118 VAL HG22 . 11081 1
609 . 1 1 50 50 VAL HG23 H 1 0.906 0.008 . 1 . . . . 1118 VAL HG23 . 11081 1
610 . 1 1 50 50 VAL C C 13 177.484 0.009 . 1 . . . . 1118 VAL CO . 11081 1
611 . 1 1 50 50 VAL CA C 13 60.482 0.054 . 1 . . . . 1118 VAL CA . 11081 1
612 . 1 1 50 50 VAL CB C 13 33.786 0.069 . 1 . . . . 1118 VAL CB . 11081 1
613 . 1 1 50 50 VAL CG1 C 13 22.233 0.077 . 1 . . . . 1118 VAL CG1 . 11081 1
614 . 1 1 50 50 VAL CG2 C 13 21.307 0.040 . 1 . . . . 1118 VAL CG2 . 11081 1
615 . 1 1 50 50 VAL N N 15 116.167 0.150 . 1 . . . . 1118 VAL N . 11081 1
616 . 1 1 51 51 PHE H H 1 9.452 0.016 . 1 . . . . 1119 PHE H . 11081 1
617 . 1 1 51 51 PHE HA H 1 5.686 0.008 . 1 . . . . 1119 PHE HA . 11081 1
618 . 1 1 51 51 PHE HB2 H 1 3.071 0.011 . 2 . . . . 1119 PHE HB2 . 11081 1
619 . 1 1 51 51 PHE HD1 H 1 6.913 0.009 . 3 . . . . 1119 PHE HD1 . 11081 1
620 . 1 1 51 51 PHE HD2 H 1 6.913 0.009 . 3 . . . . 1119 PHE HD2 . 11081 1
621 . 1 1 51 51 PHE HE1 H 1 7.321 0.004 . 3 . . . . 1119 PHE HE1 . 11081 1
622 . 1 1 51 51 PHE HE2 H 1 7.321 0.004 . 3 . . . . 1119 PHE HE2 . 11081 1
623 . 1 1 51 51 PHE HZ H 1 6.915 0.008 . 1 . . . . 1119 PHE HZ . 11081 1
624 . 1 1 51 51 PHE C C 13 170.138 0.000 . 1 . . . . 1119 PHE CO . 11081 1
625 . 1 1 51 51 PHE CA C 13 54.990 0.036 . 1 . . . . 1119 PHE CA . 11081 1
626 . 1 1 51 51 PHE CB C 13 40.777 0.028 . 1 . . . . 1119 PHE CB . 11081 1
627 . 1 1 51 51 PHE CD1 C 13 129.964 0.041 . 3 . . . . 1119 PHE CD1 . 11081 1
628 . 1 1 51 51 PHE CD2 C 13 129.964 0.041 . 3 . . . . 1119 PHE CD2 . 11081 1
629 . 1 1 51 51 PHE CE1 C 13 129.344 0.071 . 3 . . . . 1119 PHE CE1 . 11081 1
630 . 1 1 51 51 PHE CE2 C 13 129.344 0.071 . 3 . . . . 1119 PHE CE2 . 11081 1
631 . 1 1 51 51 PHE CZ C 13 129.993 0.028 . 1 . . . . 1119 PHE CZ . 11081 1
632 . 1 1 51 51 PHE N N 15 122.562 0.054 . 1 . . . . 1119 PHE N . 11081 1
633 . 1 1 52 52 PRO HA H 1 4.024 0.006 . 1 . . . . 1120 PRO HA . 11081 1
634 . 1 1 52 52 PRO HB2 H 1 1.322 0.004 . 2 . . . . 1120 PRO HB2 . 11081 1
635 . 1 1 52 52 PRO HB3 H 1 0.893 0.005 . 2 . . . . 1120 PRO HB3 . 11081 1
636 . 1 1 52 52 PRO HD2 H 1 4.010 0.006 . 2 . . . . 1120 PRO HD2 . 11081 1
637 . 1 1 52 52 PRO HD3 H 1 3.488 0.008 . 2 . . . . 1120 PRO HD3 . 11081 1
638 . 1 1 52 52 PRO HG2 H 1 1.031 0.009 . 2 . . . . 1120 PRO HG2 . 11081 1
639 . 1 1 52 52 PRO HG3 H 1 1.014 0.003 . 2 . . . . 1120 PRO HG3 . 11081 1
640 . 1 1 52 52 PRO C C 13 178.448 0.003 . 1 . . . . 1120 PRO CO . 11081 1
641 . 1 1 52 52 PRO CA C 13 60.693 0.036 . 1 . . . . 1120 PRO CA . 11081 1
642 . 1 1 52 52 PRO CB C 13 30.298 0.068 . 1 . . . . 1120 PRO CB . 11081 1
643 . 1 1 52 52 PRO CD C 13 50.851 0.036 . 1 . . . . 1120 PRO CD . 11081 1
644 . 1 1 52 52 PRO CG C 13 26.470 0.055 . 1 . . . . 1120 PRO CG . 11081 1
645 . 1 1 53 53 VAL H H 1 7.803 0.021 . 1 . . . . 1121 VAL H . 11081 1
646 . 1 1 53 53 VAL HA H 1 3.021 0.005 . 1 . . . . 1121 VAL HA . 11081 1
647 . 1 1 53 53 VAL HB H 1 1.063 0.007 . 1 . . . . 1121 VAL HB . 11081 1
648 . 1 1 53 53 VAL HG11 H 1 -0.006 0.008 . 1 . . . . 1121 VAL HG11 . 11081 1
649 . 1 1 53 53 VAL HG12 H 1 -0.006 0.008 . 1 . . . . 1121 VAL HG12 . 11081 1
650 . 1 1 53 53 VAL HG13 H 1 -0.006 0.008 . 1 . . . . 1121 VAL HG13 . 11081 1
651 . 1 1 53 53 VAL HG21 H 1 -0.541 0.003 . 1 . . . . 1121 VAL HG21 . 11081 1
652 . 1 1 53 53 VAL HG22 H 1 -0.541 0.003 . 1 . . . . 1121 VAL HG22 . 11081 1
653 . 1 1 53 53 VAL HG23 H 1 -0.541 0.003 . 1 . . . . 1121 VAL HG23 . 11081 1
654 . 1 1 53 53 VAL C C 13 177.424 0.001 . 1 . . . . 1121 VAL CO . 11081 1
655 . 1 1 53 53 VAL CA C 13 64.770 0.045 . 1 . . . . 1121 VAL CA . 11081 1
656 . 1 1 53 53 VAL CB C 13 31.333 0.041 . 1 . . . . 1121 VAL CB . 11081 1
657 . 1 1 53 53 VAL CG1 C 13 20.103 0.047 . 1 . . . . 1121 VAL CG1 . 11081 1
658 . 1 1 53 53 VAL CG2 C 13 20.612 0.045 . 1 . . . . 1121 VAL CG2 . 11081 1
659 . 1 1 53 53 VAL N N 15 126.811 0.054 . 1 . . . . 1121 VAL N . 11081 1
660 . 1 1 54 54 SER H H 1 8.353 0.018 . 1 . . . . 1122 SER H . 11081 1
661 . 1 1 54 54 SER HA H 1 4.227 0.008 . 1 . . . . 1122 SER HA . 11081 1
662 . 1 1 54 54 SER HB2 H 1 4.048 0.009 . 2 . . . . 1122 SER HB2 . 11081 1
663 . 1 1 54 54 SER HB3 H 1 3.857 0.004 . 2 . . . . 1122 SER HB3 . 11081 1
664 . 1 1 54 54 SER C C 13 175.520 0.001 . 1 . . . . 1122 SER CO . 11081 1
665 . 1 1 54 54 SER CA C 13 59.853 0.072 . 1 . . . . 1122 SER CA . 11081 1
666 . 1 1 54 54 SER CB C 13 62.997 0.086 . 1 . . . . 1122 SER CB . 11081 1
667 . 1 1 54 54 SER N N 15 112.741 0.099 . 1 . . . . 1122 SER N . 11081 1
668 . 1 1 55 55 PHE H H 1 7.964 0.002 . 1 . . . . 1123 PHE H . 11081 1
669 . 1 1 55 55 PHE HA H 1 4.916 0.007 . 1 . . . . 1123 PHE HA . 11081 1
670 . 1 1 55 55 PHE HB2 H 1 3.827 0.006 . 2 . . . . 1123 PHE HB2 . 11081 1
671 . 1 1 55 55 PHE HB3 H 1 3.606 0.009 . 2 . . . . 1123 PHE HB3 . 11081 1
672 . 1 1 55 55 PHE HD1 H 1 7.369 0.008 . 3 . . . . 1123 PHE HD1 . 11081 1
673 . 1 1 55 55 PHE HD2 H 1 7.369 0.008 . 3 . . . . 1123 PHE HD2 . 11081 1
674 . 1 1 55 55 PHE HE1 H 1 7.267 0.005 . 3 . . . . 1123 PHE HE1 . 11081 1
675 . 1 1 55 55 PHE HE2 H 1 7.267 0.005 . 3 . . . . 1123 PHE HE2 . 11081 1
676 . 1 1 55 55 PHE C C 13 175.364 0.010 . 1 . . . . 1123 PHE CO . 11081 1
677 . 1 1 55 55 PHE CA C 13 56.895 0.061 . 1 . . . . 1123 PHE CA . 11081 1
678 . 1 1 55 55 PHE CB C 13 38.501 0.048 . 1 . . . . 1123 PHE CB . 11081 1
679 . 1 1 55 55 PHE CD1 C 13 130.207 0.011 . 3 . . . . 1123 PHE CD1 . 11081 1
680 . 1 1 55 55 PHE CD2 C 13 130.207 0.011 . 3 . . . . 1123 PHE CD2 . 11081 1
681 . 1 1 55 55 PHE CE1 C 13 131.673 0.168 . 3 . . . . 1123 PHE CE1 . 11081 1
682 . 1 1 55 55 PHE CE2 C 13 131.673 0.168 . 3 . . . . 1123 PHE CE2 . 11081 1
683 . 1 1 55 55 PHE N N 15 121.452 0.057 . 1 . . . . 1123 PHE N . 11081 1
684 . 1 1 56 56 VAL H H 1 7.720 0.018 . 1 . . . . 1124 VAL H . 11081 1
685 . 1 1 56 56 VAL HA H 1 5.320 0.008 . 1 . . . . 1124 VAL HA . 11081 1
686 . 1 1 56 56 VAL HB H 1 1.788 0.021 . 1 . . . . 1124 VAL HB . 11081 1
687 . 1 1 56 56 VAL HG11 H 1 0.492 0.010 . 1 . . . . 1124 VAL HG11 . 11081 1
688 . 1 1 56 56 VAL HG12 H 1 0.492 0.010 . 1 . . . . 1124 VAL HG12 . 11081 1
689 . 1 1 56 56 VAL HG13 H 1 0.492 0.010 . 1 . . . . 1124 VAL HG13 . 11081 1
690 . 1 1 56 56 VAL HG21 H 1 0.876 0.007 . 1 . . . . 1124 VAL HG21 . 11081 1
691 . 1 1 56 56 VAL HG22 H 1 0.876 0.007 . 1 . . . . 1124 VAL HG22 . 11081 1
692 . 1 1 56 56 VAL HG23 H 1 0.876 0.007 . 1 . . . . 1124 VAL HG23 . 11081 1
693 . 1 1 56 56 VAL C C 13 173.637 0.004 . 1 . . . . 1124 VAL CO . 11081 1
694 . 1 1 56 56 VAL CA C 13 58.628 0.054 . 1 . . . . 1124 VAL CA . 11081 1
695 . 1 1 56 56 VAL CB C 13 35.817 0.043 . 1 . . . . 1124 VAL CB . 11081 1
696 . 1 1 56 56 VAL CG1 C 13 20.819 0.039 . 1 . . . . 1124 VAL CG1 . 11081 1
697 . 1 1 56 56 VAL CG2 C 13 17.818 0.044 . 1 . . . . 1124 VAL CG2 . 11081 1
698 . 1 1 56 56 VAL N N 15 110.919 0.038 . 1 . . . . 1124 VAL N . 11081 1
699 . 1 1 57 57 HIS H H 1 9.041 0.006 . 1 . . . . 1125 HIS H . 11081 1
700 . 1 1 57 57 HIS HA H 1 5.069 0.005 . 1 . . . . 1125 HIS HA . 11081 1
701 . 1 1 57 57 HIS HB2 H 1 2.999 0.007 . 2 . . . . 1125 HIS HB2 . 11081 1
702 . 1 1 57 57 HIS HB3 H 1 2.897 0.007 . 2 . . . . 1125 HIS HB3 . 11081 1
703 . 1 1 57 57 HIS HD2 H 1 6.876 0.011 . 1 . . . . 1125 HIS HD2 . 11081 1
704 . 1 1 57 57 HIS HE1 H 1 7.915 0.002 . 1 . . . . 1125 HIS HE1 . 11081 1
705 . 1 1 57 57 HIS C C 13 174.814 0.001 . 1 . . . . 1125 HIS CO . 11081 1
706 . 1 1 57 57 HIS CA C 13 53.200 0.070 . 1 . . . . 1125 HIS CA . 11081 1
707 . 1 1 57 57 HIS CB C 13 33.067 0.244 . 1 . . . . 1125 HIS CB . 11081 1
708 . 1 1 57 57 HIS CD2 C 13 120.032 0.035 . 1 . . . . 1125 HIS CD2 . 11081 1
709 . 1 1 57 57 HIS CE1 C 13 137.912 0.008 . 1 . . . . 1125 HIS CE1 . 11081 1
710 . 1 1 57 57 HIS N N 15 118.004 0.303 . 1 . . . . 1125 HIS N . 11081 1
711 . 1 1 58 58 ILE H H 1 8.766 0.042 . 1 . . . . 1126 ILE H . 11081 1
712 . 1 1 58 58 ILE HA H 1 3.996 0.006 . 1 . . . . 1126 ILE HA . 11081 1
713 . 1 1 58 58 ILE HB H 1 1.819 0.008 . 1 . . . . 1126 ILE HB . 11081 1
714 . 1 1 58 58 ILE HD11 H 1 1.006 0.008 . 1 . . . . 1126 ILE HD11 . 11081 1
715 . 1 1 58 58 ILE HD12 H 1 1.006 0.008 . 1 . . . . 1126 ILE HD12 . 11081 1
716 . 1 1 58 58 ILE HD13 H 1 1.006 0.008 . 1 . . . . 1126 ILE HD13 . 11081 1
717 . 1 1 58 58 ILE HG12 H 1 1.701 0.006 . 2 . . . . 1126 ILE HG12 . 11081 1
718 . 1 1 58 58 ILE HG13 H 1 1.296 0.007 . 2 . . . . 1126 ILE HG13 . 11081 1
719 . 1 1 58 58 ILE HG21 H 1 1.000 0.009 . 1 . . . . 1126 ILE HG21 . 11081 1
720 . 1 1 58 58 ILE HG22 H 1 1.000 0.009 . 1 . . . . 1126 ILE HG22 . 11081 1
721 . 1 1 58 58 ILE HG23 H 1 1.000 0.009 . 1 . . . . 1126 ILE HG23 . 11081 1
722 . 1 1 58 58 ILE C C 13 175.732 0.000 . 1 . . . . 1126 ILE CO . 11081 1
723 . 1 1 58 58 ILE CA C 13 62.706 0.094 . 1 . . . . 1126 ILE CA . 11081 1
724 . 1 1 58 58 ILE CB C 13 38.240 0.077 . 1 . . . . 1126 ILE CB . 11081 1
725 . 1 1 58 58 ILE CD1 C 13 13.321 0.038 . 1 . . . . 1126 ILE CD1 . 11081 1
726 . 1 1 58 58 ILE CG1 C 13 28.599 0.048 . 1 . . . . 1126 ILE CG1 . 11081 1
727 . 1 1 58 58 ILE CG2 C 13 17.941 0.031 . 1 . . . . 1126 ILE CG2 . 11081 1
728 . 1 1 58 58 ILE N N 15 125.253 0.219 . 1 . . . . 1126 ILE N . 11081 1
729 . 1 1 59 59 LEU H H 1 8.209 0.017 . 1 . . . . 1127 LEU H . 11081 1
730 . 1 1 59 59 LEU HA H 1 4.598 0.004 . 1 . . . . 1127 LEU HA . 11081 1
731 . 1 1 59 59 LEU HB2 H 1 1.656 0.009 . 2 . . . . 1127 LEU HB2 . 11081 1
732 . 1 1 59 59 LEU HB3 H 1 1.496 0.009 . 2 . . . . 1127 LEU HB3 . 11081 1
733 . 1 1 59 59 LEU HD11 H 1 0.788 0.010 . 1 . . . . 1127 LEU HD11 . 11081 1
734 . 1 1 59 59 LEU HD12 H 1 0.788 0.010 . 1 . . . . 1127 LEU HD12 . 11081 1
735 . 1 1 59 59 LEU HD13 H 1 0.788 0.010 . 1 . . . . 1127 LEU HD13 . 11081 1
736 . 1 1 59 59 LEU HD21 H 1 0.866 0.011 . 1 . . . . 1127 LEU HD21 . 11081 1
737 . 1 1 59 59 LEU HD22 H 1 0.866 0.011 . 1 . . . . 1127 LEU HD22 . 11081 1
738 . 1 1 59 59 LEU HD23 H 1 0.866 0.011 . 1 . . . . 1127 LEU HD23 . 11081 1
739 . 1 1 59 59 LEU HG H 1 1.547 0.003 . 1 . . . . 1127 LEU HG . 11081 1
740 . 1 1 59 59 LEU C C 13 177.049 0.002 . 1 . . . . 1127 LEU CO . 11081 1
741 . 1 1 59 59 LEU CA C 13 54.169 0.083 . 1 . . . . 1127 LEU CA . 11081 1
742 . 1 1 59 59 LEU CB C 13 42.446 0.041 . 1 . . . . 1127 LEU CB . 11081 1
743 . 1 1 59 59 LEU CD1 C 13 25.773 0.080 . 1 . . . . 1127 LEU CD1 . 11081 1
744 . 1 1 59 59 LEU CD2 C 13 23.345 0.101 . 1 . . . . 1127 LEU CD2 . 11081 1
745 . 1 1 59 59 LEU CG C 13 26.454 0.565 . 1 . . . . 1127 LEU CG . 11081 1
746 . 1 1 59 59 LEU N N 15 128.279 0.028 . 1 . . . . 1127 LEU N . 11081 1
747 . 1 1 60 60 SER H H 1 8.555 0.003 . 1 . . . . 1128 SER H . 11081 1
748 . 1 1 60 60 SER HA H 1 4.481 0.005 . 1 . . . . 1128 SER HA . 11081 1
749 . 1 1 60 60 SER HB2 H 1 3.888 0.005 . 2 . . . . 1128 SER HB2 . 11081 1
750 . 1 1 60 60 SER HB3 H 1 3.875 0.005 . 2 . . . . 1128 SER HB3 . 11081 1
751 . 1 1 60 60 SER C C 13 173.248 0.001 . 1 . . . . 1128 SER CO . 11081 1
752 . 1 1 60 60 SER CA C 13 58.359 0.078 . 1 . . . . 1128 SER CA . 11081 1
753 . 1 1 60 60 SER CB C 13 64.070 0.080 . 1 . . . . 1128 SER CB . 11081 1
754 . 1 1 60 60 SER N N 15 117.866 0.017 . 1 . . . . 1128 SER N . 11081 1
755 . 1 1 61 61 ASP H H 1 7.991 0.007 . 1 . . . . 1129 ASP H . 11081 1
756 . 1 1 61 61 ASP HA H 1 4.391 0.003 . 1 . . . . 1129 ASP HA . 11081 1
757 . 1 1 61 61 ASP HB2 H 1 2.648 0.004 . 2 . . . . 1129 ASP HB2 . 11081 1
758 . 1 1 61 61 ASP HB3 H 1 2.593 0.007 . 2 . . . . 1129 ASP HB3 . 11081 1
759 . 1 1 61 61 ASP C C 13 180.779 0.000 . 1 . . . . 1129 ASP CO . 11081 1
760 . 1 1 61 61 ASP CA C 13 55.659 0.074 . 1 . . . . 1129 ASP CA . 11081 1
761 . 1 1 61 61 ASP CB C 13 42.387 0.049 . 1 . . . . 1129 ASP CB . 11081 1
762 . 1 1 61 61 ASP N N 15 127.512 0.008 . 1 . . . . 1129 ASP N . 11081 1
stop_
save_