data_6579 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6579 _Entry.Title ; A structural Model for the Membrane-Bound Form of the Juxtamembrane Domain of the Epidermal Growth Factor Receptor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-04-02 _Entry.Accession_date 2005-04-04 _Entry.Last_release_date 2005-08-22 _Entry.Original_release_date 2005-08-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Kiattawee Choowongkomon . . . 6579 2 Cathleen Carlin . R. . 6579 3 Frank Sonnichsen . D. . 6579 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6579 coupling_constants 1 6579 heteronucl_NOEs 1 6579 RDCs 1 6579 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 238 6579 '15N chemical shifts' 51 6579 '1H chemical shifts' 388 6579 'coupling constants' 48 6579 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 . . 2005-08-22 2005-04-02 original author . 6579 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6579 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15840573 _Citation.Full_citation . _Citation.Title ; A structural model for the membrane-bound form of the juxtamembrane domain of the epidermal growth factor receptor. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 280 _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 24043 _Citation.Page_last 24052 _Citation.Year 2005 _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 Kiattawee Choowongkomon . . . 6579 1 2 Cathleen Carlin . R. . 6579 1 3 Frank Sonnichsen . D. . 6579 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'juxtamembrane structure EGFR micelle' 6579 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6579 _Assembly.ID 1 _Assembly.Name 'JX EGFR monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 'JX EGFR monomer' 1 $juxtamembrane_EGFR . . no native no no . . . 6579 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_juxtamembrane_EGFR _Entity.Sf_category entity _Entity.Sf_framecode juxtamembrane_EGFR _Entity.Entry_ID 6579 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'JX EGFR' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RRRHIVRKRTLRRLLQEREL VEPLTPSGEAPNQALLRILK ETEFKKIKVLGSG ; _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 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 18888 . EGFR_TM-JM . . . . . 54.72 60 100.00 100.00 5.62e-09 . . . . 6579 1 2 no PDB 1M14 . "Tyrosine Kinase Domain From Epidermal Growth Factor Receptor" . . . . . 50.94 333 100.00 100.00 6.21e-07 . . . . 6579 1 3 no PDB 1M17 . "Epidermal Growth Factor Receptor Tyrosine Kinase Domain With 4-Anilinoquinazoline Inhibitor Erlotinib" . . . . . 50.94 333 100.00 100.00 6.21e-07 . . . . 6579 1 4 no PDB 1XKK . "Egfr Kinase Domain Complexed With A Quinazoline Inhibitor- Gw572016" . . . . . 50.94 352 100.00 100.00 5.46e-07 . . . . 6579 1 5 no PDB 1Z9I . "A Structural Model For The Membrane-Bound Form Of The Juxtamembrane Domain Of The Epidermal Growth Factor Receptor" . . . . . 100.00 53 100.00 100.00 1.70e-26 . . . . 6579 1 6 no PDB 2EB3 . "Crystal Structure Of Mutated Egfr Kinase Domain (L858r) In Complex With Amppnp" . . . . . 50.94 334 100.00 100.00 9.07e-07 . . . . 6579 1 7 no PDB 2JIU . "Crystal Structure Of Egfr Kinase Domain T790m Mutation In Complex With Aee788" . . . . . 50.94 328 100.00 100.00 7.04e-07 . . . . 6579 1 8 no PDB 2JIV . "Crystal Structure Of Egfr Kinase Domain T790m Mutation In Compex With Hki-272" . . . . . 50.94 328 100.00 100.00 7.04e-07 . . . . 6579 1 9 no PDB 2M20 . "Egfr Transmembrane - Juxtamembrane (tm-jm) Segment In Bicelles: Md Guided Nmr Refined Structure" . . . . . 54.72 60 100.00 100.00 5.62e-09 . . . . 6579 1 10 no PDB 3GOP . "Crystal Structure Of The Egf Receptor Juxtamembrane And Kinase Domains" . . . . . 100.00 361 100.00 100.00 3.60e-25 . . . . 6579 1 11 no PDB 3VJO . "Crystal Structure Of The Wild-type Egfr Kinase Domain In Complex With Amppnp" . . . . . 50.94 334 100.00 100.00 7.60e-07 . . . . 6579 1 12 no PDB 4I1Z . "Crystal Structure Of The Monomeric (v948r) Form Of The Gefitinib/erlotinib Resistant Egfr Kinase Domain L858r+t790m" . . . . . 50.94 329 100.00 100.00 9.89e-07 . . . . 6579 1 13 no PDB 4I20 . "Crystal Structure Of Monomeric (v948r) Primary Oncogenic Mutant L858r Egfr Kinase Domain" . . . . . 50.94 329 100.00 100.00 1.97e-07 . . . . 6579 1 14 no PDB 4I21 . "Crystal Structure Of L858r + T790m Egfr Kinase Domain In Complex With Mig6 Peptide" . . . . . 50.94 329 100.00 100.00 8.04e-07 . . . . 6579 1 15 no PDB 4I22 . "Structure Of The Monomeric (v948r)gefitinib/erlotinib Resistant Double Mutant (l858r+t790m) Egfr Kinase Domain Co-crystallized " . . . . . 50.94 329 100.00 100.00 9.89e-07 . . . . 6579 1 16 no PDB 4I23 . "Crystal Structure Of The Wild-type Egfr Kinase Domain In Complex With Dacomitinib (soaked)" . . . . . 50.94 329 100.00 100.00 6.47e-07 . . . . 6579 1 17 no PDB 4I24 . "Structure Of T790m Egfr Kinase Domain Co-crystallized With Dacomitinib" . . . . . 50.94 329 100.00 100.00 6.41e-07 . . . . 6579 1 18 no PDB 4RIW . "Crystal Structure Of An Egfr/her3 Kinase Domain Heterodimer" . . . . . 75.47 345 100.00 100.00 2.13e-16 . . . . 6579 1 19 no PDB 4RIX . "Crystal Structure Of An Egfr/her3 Kinase Domain Heterodimer Containing The Cancer-associated Her3-q790r Mutation" . . . . . 75.47 345 100.00 100.00 2.13e-16 . . . . 6579 1 20 no PDB 4RIY . "Crystal Structure Of An Egfr/her3 Kinase Domain Heterodimer Containing The Cancer-associated Her3-e909g Mutation" . . . . . 75.47 345 100.00 100.00 2.13e-16 . . . . 6579 1 21 no PDB 4RJ4 . "Egfr Kinase (t790m/l858r) With Inhibitor Compound 6" . . . . . 50.94 331 100.00 100.00 4.85e-07 . . . . 6579 1 22 no PDB 4RJ5 . "Egfr Kinase (t790m/l858r) With Inhibitor Compound 5" . . . . . 50.94 331 100.00 100.00 4.85e-07 . . . . 6579 1 23 no PDB 4RJ6 . "Egfr Kinase (t790m/l858r) With Inhibitor Compound 4" . . . . . 50.94 331 100.00 100.00 4.85e-07 . . . . 6579 1 24 no PDB 4RJ7 . "Egfr Kinase (t790m/l858r) With Inhibitor Compound 1" . . . . . 50.94 331 100.00 100.00 4.85e-07 . . . . 6579 1 25 no PDB 4RJ8 . "Egfr Kinase (t790m/l858r) With Inhibitor Compound 8" . . . . . 50.94 331 100.00 100.00 4.85e-07 . . . . 6579 1 26 no PDB 4TKS . "Native-sad Phasing For Human Egfr Kinase Domain" . . . . . 50.94 332 100.00 100.00 6.18e-07 . . . . 6579 1 27 no DBJ BAD92679 . "epidermal growth factor receptor isoform a variant [Homo sapiens]" . . . . . 100.00 1081 100.00 100.00 1.77e-26 . . . . 6579 1 28 no DBJ BAF62298 . "epidermal growth factor receptor [Sus scrofa]" . . . . . 100.00 1204 98.11 100.00 5.97e-26 . . . . 6579 1 29 no DBJ BAF83041 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1210 100.00 100.00 2.32e-26 . . . . 6579 1 30 no DBJ BAH11869 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 1157 98.11 100.00 8.97e-26 . . . . 6579 1 31 no DBJ BAI46646 . "epidermal growth factor receptor [synthetic construct]" . . . . . 100.00 1210 100.00 100.00 2.28e-26 . . . . 6579 1 32 no EMBL CAA25240 . "epidermal growth factor receptor [Homo sapiens]" . . . . . 100.00 1210 100.00 100.00 2.63e-26 . . . . 6579 1 33 no EMBL CAA25282 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 800 100.00 100.00 9.61e-27 . . . . 6579 1 34 no EMBL CAA42219 . "EGF-receptor [Mus musculus]" . . . . . 83.02 714 97.73 97.73 6.84e-20 . . . . 6579 1 35 no EMBL CAA55587 . "epidermal growth factor receptor [Mus musculus]" . . . . . 100.00 1210 98.11 98.11 2.17e-25 . . . . 6579 1 36 no EMBL CDQ63296 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 564 100.00 100.00 1.92e-25 . . . . 6579 1 37 no GB AAA17899 . "EGF receptor [Mus musculus]" . . . . . 100.00 1210 98.11 98.11 1.99e-25 . . . . 6579 1 38 no GB AAG24386 . "epidermal growth factor receptor [Mus musculus]" . . . . . 100.00 1210 98.11 98.11 2.17e-25 . . . . 6579 1 39 no GB AAG28045 . "epidermal growth factor receptor isoform 1 [Mus musculus]" . . . . . 100.00 1210 98.11 98.11 2.17e-25 . . . . 6579 1 40 no GB AAG35789 . "p170 epidermal growth factor receptor [Homo sapiens]" . . . . . 100.00 1210 100.00 100.00 2.32e-26 . . . . 6579 1 41 no GB AAH94761 . "EGFR protein [Homo sapiens]" . . . . . 100.00 1091 100.00 100.00 3.48e-26 . . . . 6579 1 42 no PRF 1006266A . "epidermal growth factor receptor" . . . . . 100.00 1210 100.00 100.00 2.63e-26 . . . . 6579 1 43 no PRF 1007208A . "epidermal growth factor receptor" . . . . . 98.11 797 98.08 98.08 1.39e-24 . . . . 6579 1 44 no REF NP_005219 . "epidermal growth factor receptor isoform a precursor [Homo sapiens]" . . . . . 100.00 1210 100.00 100.00 2.32e-26 . . . . 6579 1 45 no REF NP_919405 . "epidermal growth factor receptor precursor [Danio rerio]" . . . . . 100.00 1191 98.11 98.11 1.23e-25 . . . . 6579 1 46 no REF NP_997538 . "epidermal growth factor receptor isoform 1 precursor [Mus musculus]" . . . . . 100.00 1210 98.11 98.11 2.17e-25 . . . . 6579 1 47 no REF NP_999172 . "epidermal growth factor receptor precursor [Sus scrofa]" . . . . . 100.00 1209 98.11 100.00 6.54e-26 . . . . 6579 1 48 no REF XP_001107305 . "PREDICTED: epidermal growth factor receptor, partial [Macaca mulatta]" . . . . . 100.00 1120 100.00 100.00 2.19e-26 . . . . 6579 1 49 no SP P00533 . "RecName: Full=Epidermal growth factor receptor; AltName: Full=Proto-oncogene c-ErbB-1; AltName: Full=Receptor tyrosine-protein " . . . . . 100.00 1210 100.00 100.00 2.32e-26 . . . . 6579 1 50 no SP P55245 . "RecName: Full=Epidermal growth factor receptor; Flags: Precursor [Macaca mulatta]" . . . . . 100.00 1210 100.00 100.00 2.39e-26 . . . . 6579 1 51 no SP Q01279 . "RecName: Full=Epidermal growth factor receptor; Flags: Precursor [Mus musculus]" . . . . . 100.00 1210 98.11 98.11 2.17e-25 . . . . 6579 1 52 no TPG DAA17224 . "TPA: epidermal growth factor receptor [Bos taurus]" . . . . . 100.00 1185 98.11 100.00 7.31e-26 . . . . 6579 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 . ARG . 6579 1 2 . ARG . 6579 1 3 . ARG . 6579 1 4 . HIS . 6579 1 5 . ILE . 6579 1 6 . VAL . 6579 1 7 . ARG . 6579 1 8 . LYS . 6579 1 9 . ARG . 6579 1 10 . THR . 6579 1 11 . LEU . 6579 1 12 . ARG . 6579 1 13 . ARG . 6579 1 14 . LEU . 6579 1 15 . LEU . 6579 1 16 . GLN . 6579 1 17 . GLU . 6579 1 18 . ARG . 6579 1 19 . GLU . 6579 1 20 . LEU . 6579 1 21 . VAL . 6579 1 22 . GLU . 6579 1 23 . PRO . 6579 1 24 . LEU . 6579 1 25 . THR . 6579 1 26 . PRO . 6579 1 27 . SER . 6579 1 28 . GLY . 6579 1 29 . GLU . 6579 1 30 . ALA . 6579 1 31 . PRO . 6579 1 32 . ASN . 6579 1 33 . GLN . 6579 1 34 . ALA . 6579 1 35 . LEU . 6579 1 36 . LEU . 6579 1 37 . ARG . 6579 1 38 . ILE . 6579 1 39 . LEU . 6579 1 40 . LYS . 6579 1 41 . GLU . 6579 1 42 . THR . 6579 1 43 . GLU . 6579 1 44 . PHE . 6579 1 45 . LYS . 6579 1 46 . LYS . 6579 1 47 . ILE . 6579 1 48 . LYS . 6579 1 49 . VAL . 6579 1 50 . LEU . 6579 1 51 . GLY . 6579 1 52 . SER . 6579 1 53 . GLY . 6579 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 . ARG 1 1 6579 1 . ARG 2 2 6579 1 . ARG 3 3 6579 1 . HIS 4 4 6579 1 . ILE 5 5 6579 1 . VAL 6 6 6579 1 . ARG 7 7 6579 1 . LYS 8 8 6579 1 . ARG 9 9 6579 1 . THR 10 10 6579 1 . LEU 11 11 6579 1 . ARG 12 12 6579 1 . ARG 13 13 6579 1 . LEU 14 14 6579 1 . LEU 15 15 6579 1 . GLN 16 16 6579 1 . GLU 17 17 6579 1 . ARG 18 18 6579 1 . GLU 19 19 6579 1 . LEU 20 20 6579 1 . VAL 21 21 6579 1 . GLU 22 22 6579 1 . PRO 23 23 6579 1 . LEU 24 24 6579 1 . THR 25 25 6579 1 . PRO 26 26 6579 1 . SER 27 27 6579 1 . GLY 28 28 6579 1 . GLU 29 29 6579 1 . ALA 30 30 6579 1 . PRO 31 31 6579 1 . ASN 32 32 6579 1 . GLN 33 33 6579 1 . ALA 34 34 6579 1 . LEU 35 35 6579 1 . LEU 36 36 6579 1 . ARG 37 37 6579 1 . ILE 38 38 6579 1 . LEU 39 39 6579 1 . LYS 40 40 6579 1 . GLU 41 41 6579 1 . THR 42 42 6579 1 . GLU 43 43 6579 1 . PHE 44 44 6579 1 . LYS 45 45 6579 1 . LYS 46 46 6579 1 . ILE 47 47 6579 1 . LYS 48 48 6579 1 . VAL 49 49 6579 1 . LEU 50 50 6579 1 . GLY 51 51 6579 1 . SER 52 52 6579 1 . GLY 53 53 6579 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 6579 _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 $juxtamembrane_EGFR . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo Sapiens . . . . . . . . . . . . . . . . . . . . . 6579 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 6579 _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 $juxtamembrane_EGFR . 'recombinant technology' . 'E. Coli' BL21(DE3) . . . . . . . . . . . . . . . . pGST-3X . . . . . . . . . 6579 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6579 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details 'DPC micelles' _Sample.Aggregate_sample_number 60 _Sample.Solvent_system . _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 'JX EGFR' '[U-15N; U-13C]' 1 $assembly 1 $juxtamembrane_EGFR . . 1.5 . . mM 0.2 . . . 6579 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6579 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'sample was put in dry acrylamide gel then compress in the NMR tube' 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 5.0 0.2 pH 6579 1 temperature 308 0 K 6579 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6579 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details 'For processing the data' save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6579 _Software.ID 2 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details 'For analysis and assigment' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6579 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6579 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_800MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz_spectrometer _NMR_spectrometer.Entry_ID 6579 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6579 _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 '1N15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6579 1 2 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6579 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6579 1 4 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6579 1 5 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6579 1 6 HN(CA)CO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6579 1 7 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6579 1 8 HCC(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6579 1 9 CC(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6579 1 10 '15N HSQC-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6579 1 11 '15/13C HSQC-NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6579 1 12 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6579 1 13 TROSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6579 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6579 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6579 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6579 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6579 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_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list _Assigned_chem_shift_list.Entry_ID 6579 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6579 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRView . . 6579 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 2 2 ARG HA H 1 4.379 0.02 . 1 . . . . 2 ARG HA . 6579 1 2 . 1 1 2 2 ARG HB2 H 1 1.779 0.02 . 2 . . . . 2 ARG HB2 . 6579 1 3 . 1 1 2 2 ARG HB3 H 1 1.803 0.02 . 2 . . . . 2 ARG HB3 . 6579 1 4 . 1 1 2 2 ARG HG2 H 1 1.640 0.02 . 1 . . . . 2 ARG HG . 6579 1 5 . 1 1 2 2 ARG HG3 H 1 1.640 0.02 . 1 . . . . 2 ARG HG . 6579 1 6 . 1 1 2 2 ARG HD2 H 1 3.205 0.02 . 1 . . . . 2 ARG HD . 6579 1 7 . 1 1 2 2 ARG HD3 H 1 3.205 0.02 . 1 . . . . 2 ARG HD . 6579 1 8 . 1 1 2 2 ARG C C 13 175.742 0.1 . 1 . . . . 2 ARG C . 6579 1 9 . 1 1 2 2 ARG CA C 13 56.166 0.1 . 1 . . . . 2 ARG CA . 6579 1 10 . 1 1 2 2 ARG CB C 13 30.917 0.1 . 1 . . . . 2 ARG CB . 6579 1 11 . 1 1 2 2 ARG CG C 13 27.169 0.1 . 1 . . . . 2 ARG CG . 6579 1 12 . 1 1 2 2 ARG CD C 13 43.310 0.1 . 1 . . . . 2 ARG CD . 6579 1 13 . 1 1 3 3 ARG H H 1 8.510 0.02 . 1 . . . . 3 ARG HN . 6579 1 14 . 1 1 3 3 ARG HA H 1 4.277 0.02 . 1 . . . . 3 ARG HA . 6579 1 15 . 1 1 3 3 ARG HB2 H 1 1.739 0.02 . 1 . . . . 3 ARG HB . 6579 1 16 . 1 1 3 3 ARG HB3 H 1 1.739 0.02 . 1 . . . . 3 ARG HB . 6579 1 17 . 1 1 3 3 ARG HG2 H 1 1.572 0.02 . 1 . . . . 3 ARG HG . 6579 1 18 . 1 1 3 3 ARG HG3 H 1 1.572 0.02 . 1 . . . . 3 ARG HG . 6579 1 19 . 1 1 3 3 ARG HD2 H 1 3.265 0.02 . 2 . . . . 3 ARG HD2 . 6579 1 20 . 1 1 3 3 ARG HD3 H 1 3.177 0.02 . 2 . . . . 3 ARG HD3 . 6579 1 21 . 1 1 3 3 ARG C C 13 175.744 0.1 . 1 . . . . 3 ARG C . 6579 1 22 . 1 1 3 3 ARG CA C 13 56.097 0.1 . 1 . . . . 3 ARG CA . 6579 1 23 . 1 1 3 3 ARG CB C 13 30.917 0.1 . 1 . . . . 3 ARG CB . 6579 1 24 . 1 1 3 3 ARG CG C 13 27.162 0.1 . 1 . . . . 3 ARG CG . 6579 1 25 . 1 1 3 3 ARG CD C 13 43.310 0.1 . 1 . . . . 3 ARG CD . 6579 1 26 . 1 1 3 3 ARG N N 15 122.516 0.1 . 1 . . . . 3 ARG N . 6579 1 27 . 1 1 4 4 HIS H H 1 8.532 0.02 . 1 . . . . 4 HIS HN . 6579 1 28 . 1 1 4 4 HIS HA H 1 4.780 0.02 . 1 . . . . 4 HIS HA . 6579 1 29 . 1 1 4 4 HIS HB2 H 1 3.123 0.02 . 2 . . . . 4 HIS HB2 . 6579 1 30 . 1 1 4 4 HIS HB3 H 1 3.223 0.02 . 2 . . . . 4 HIS HB3 . 6579 1 31 . 1 1 4 4 HIS HD2 H 1 7.267 0.02 . 1 . . . . 4 HIS HD2 . 6579 1 32 . 1 1 4 4 HIS C C 13 174.265 0.1 . 1 . . . . 4 HIS C . 6579 1 33 . 1 1 4 4 HIS CA C 13 55.326 0.1 . 1 . . . . 4 HIS CA . 6579 1 34 . 1 1 4 4 HIS CB C 13 29.791 0.1 . 1 . . . . 4 HIS CB . 6579 1 35 . 1 1 4 4 HIS N N 15 118.789 0.1 . 1 . . . . 4 HIS N . 6579 1 36 . 1 1 5 5 ILE H H 1 8.593 0.02 . 1 . . . . 5 ILE HN . 6579 1 37 . 1 1 5 5 ILE HA H 1 4.084 0.02 . 1 . . . . 5 ILE HA . 6579 1 38 . 1 1 5 5 ILE HB H 1 1.881 0.02 . 1 . . . . 5 ILE HB . 6579 1 39 . 1 1 5 5 ILE HG12 H 1 1.502 0.02 . 2 . . . . 5 ILE HG12 . 6579 1 40 . 1 1 5 5 ILE HG13 H 1 1.207 0.02 . 2 . . . . 5 ILE HG13 . 6579 1 41 . 1 1 5 5 ILE HG21 H 1 0.907 0.02 . 1 . . . . 5 ILE HG2 . 6579 1 42 . 1 1 5 5 ILE HG22 H 1 0.907 0.02 . 1 . . . . 5 ILE HG2 . 6579 1 43 . 1 1 5 5 ILE HG23 H 1 0.907 0.02 . 1 . . . . 5 ILE HG2 . 6579 1 44 . 1 1 5 5 ILE HD11 H 1 0.867 0.02 . 1 . . . . 5 ILE HD1 . 6579 1 45 . 1 1 5 5 ILE HD12 H 1 0.867 0.02 . 1 . . . . 5 ILE HD1 . 6579 1 46 . 1 1 5 5 ILE HD13 H 1 0.867 0.02 . 1 . . . . 5 ILE HD1 . 6579 1 47 . 1 1 5 5 ILE C C 13 175.342 0.1 . 1 . . . . 5 ILE C . 6579 1 48 . 1 1 5 5 ILE CA C 13 62.087 0.1 . 1 . . . . 5 ILE CA . 6579 1 49 . 1 1 5 5 ILE CB C 13 38.840 0.1 . 1 . . . . 5 ILE CB . 6579 1 50 . 1 1 5 5 ILE CG1 C 13 27.775 0.1 . 1 . . . . 5 ILE CG1 . 6579 1 51 . 1 1 5 5 ILE CG2 C 13 17.774 0.1 . 1 . . . . 5 ILE CG2 . 6579 1 52 . 1 1 5 5 ILE CD1 C 13 13.268 0.1 . 1 . . . . 5 ILE CD1 . 6579 1 53 . 1 1 5 5 ILE N N 15 121.509 0.1 . 1 . . . . 5 ILE N . 6579 1 54 . 1 1 6 6 VAL H H 1 7.887 0.02 . 1 . . . . 6 VAL HN . 6579 1 55 . 1 1 6 6 VAL HA H 1 4.178 0.02 . 1 . . . . 6 VAL HA . 6579 1 56 . 1 1 6 6 VAL HB H 1 2.088 0.02 . 1 . . . . 6 VAL HB . 6579 1 57 . 1 1 6 6 VAL HG11 H 1 0.947 0.02 . 1 . . . . 6 VAL HG1 . 6579 1 58 . 1 1 6 6 VAL HG12 H 1 0.947 0.02 . 1 . . . . 6 VAL HG1 . 6579 1 59 . 1 1 6 6 VAL HG13 H 1 0.947 0.02 . 1 . . . . 6 VAL HG1 . 6579 1 60 . 1 1 6 6 VAL C C 13 174.893 0.1 . 1 . . . . 6 VAL C . 6579 1 61 . 1 1 6 6 VAL CA C 13 61.711 0.1 . 1 . . . . 6 VAL CA . 6579 1 62 . 1 1 6 6 VAL CB C 13 32.878 0.1 . 1 . . . . 6 VAL CB . 6579 1 63 . 1 1 6 6 VAL CG1 C 13 21.154 0.1 . 1 . . . . 6 VAL CG1 . 6579 1 64 . 1 1 6 6 VAL N N 15 120.334 0.1 . 1 . . . . 6 VAL N . 6579 1 65 . 1 1 7 7 ARG H H 1 8.377 0.02 . 1 . . . . 7 ARG HN . 6579 1 66 . 1 1 7 7 ARG HA H 1 4.476 0.02 . 1 . . . . 7 ARG HA . 6579 1 67 . 1 1 7 7 ARG HB2 H 1 1.855 0.02 . 2 . . . . 7 ARG HB2 . 6579 1 68 . 1 1 7 7 ARG HB3 H 1 2.028 0.02 . 2 . . . . 7 ARG HB3 . 6579 1 69 . 1 1 7 7 ARG HG2 H 1 1.671 0.02 . 2 . . . . 7 ARG HG2 . 6579 1 70 . 1 1 7 7 ARG HG3 H 1 1.733 0.02 . 2 . . . . 7 ARG HG3 . 6579 1 71 . 1 1 7 7 ARG HD2 H 1 3.218 0.02 . 1 . . . . 7 ARG HD . 6579 1 72 . 1 1 7 7 ARG HD3 H 1 3.218 0.02 . 1 . . . . 7 ARG HD . 6579 1 73 . 1 1 7 7 ARG C C 13 177.007 0.1 . 1 . . . . 7 ARG C . 6579 1 74 . 1 1 7 7 ARG CA C 13 55.687 0.1 . 1 . . . . 7 ARG CA . 6579 1 75 . 1 1 7 7 ARG CB C 13 31.293 0.1 . 1 . . . . 7 ARG CB . 6579 1 76 . 1 1 7 7 ARG CG C 13 27.513 0.1 . 1 . . . . 7 ARG CG . 6579 1 77 . 1 1 7 7 ARG CD C 13 43.310 0.1 . 1 . . . . 7 ARG CD . 6579 1 78 . 1 1 7 7 ARG N N 15 123.497 0.1 . 1 . . . . 7 ARG N . 6579 1 79 . 1 1 8 8 LYS H H 1 8.884 0.02 . 1 . . . . 8 LYS HN . 6579 1 80 . 1 1 8 8 LYS HA H 1 3.973 0.02 . 1 . . . . 8 LYS HA . 6579 1 81 . 1 1 8 8 LYS HB2 H 1 1.899 0.02 . 2 . . . . 8 LYS HB2 . 6579 1 82 . 1 1 8 8 LYS HB3 H 1 1.866 0.02 . 2 . . . . 8 LYS HB3 . 6579 1 83 . 1 1 8 8 LYS HG2 H 1 1.410 0.02 . 2 . . . . 8 LYS HG2 . 6579 1 84 . 1 1 8 8 LYS HG3 H 1 1.557 0.02 . 2 . . . . 8 LYS HG3 . 6579 1 85 . 1 1 8 8 LYS HD2 H 1 1.746 0.02 . 1 . . . . 8 LYS HD . 6579 1 86 . 1 1 8 8 LYS HD3 H 1 1.746 0.02 . 1 . . . . 8 LYS HD . 6579 1 87 . 1 1 8 8 LYS HE2 H 1 2.972 0.02 . 1 . . . . 8 LYS HE . 6579 1 88 . 1 1 8 8 LYS HE3 H 1 2.972 0.02 . 1 . . . . 8 LYS HE . 6579 1 89 . 1 1 8 8 LYS C C 13 178.037 0.1 . 1 . . . . 8 LYS C . 6579 1 90 . 1 1 8 8 LYS CA C 13 59.465 0.1 . 1 . . . . 8 LYS CA . 6579 1 91 . 1 1 8 8 LYS CB C 13 32.421 0.1 . 1 . . . . 8 LYS CB . 6579 1 92 . 1 1 8 8 LYS CG C 13 25.651 0.1 . 1 . . . . 8 LYS CG . 6579 1 93 . 1 1 8 8 LYS CD C 13 29.399 0.1 . 1 . . . . 8 LYS CD . 6579 1 94 . 1 1 8 8 LYS CE C 13 41.807 0.1 . 1 . . . . 8 LYS CE . 6579 1 95 . 1 1 8 8 LYS N N 15 123.387 0.1 . 1 . . . . 8 LYS N . 6579 1 96 . 1 1 9 9 ARG H H 1 8.623 0.02 . 1 . . . . 9 ARG HN . 6579 1 97 . 1 1 9 9 ARG HA H 1 4.131 0.02 . 1 . . . . 9 ARG HA . 6579 1 98 . 1 1 9 9 ARG HB2 H 1 1.903 0.02 . 2 . . . . 9 ARG HB2 . 6579 1 99 . 1 1 9 9 ARG HB3 H 1 1.836 0.02 . 2 . . . . 9 ARG HB3 . 6579 1 100 . 1 1 9 9 ARG HG2 H 1 1.702 0.02 . 2 . . . . 9 ARG HG2 . 6579 1 101 . 1 1 9 9 ARG HG3 H 1 1.644 0.02 . 2 . . . . 9 ARG HG3 . 6579 1 102 . 1 1 9 9 ARG HD2 H 1 3.292 0.02 . 2 . . . . 9 ARG HD2 . 6579 1 103 . 1 1 9 9 ARG HD3 H 1 3.203 0.02 . 2 . . . . 9 ARG HD3 . 6579 1 104 . 1 1 9 9 ARG C C 13 177.471 0.1 . 1 . . . . 9 ARG C . 6579 1 105 . 1 1 9 9 ARG CA C 13 58.345 0.1 . 1 . . . . 9 ARG CA . 6579 1 106 . 1 1 9 9 ARG CB C 13 30.156 0.1 . 1 . . . . 9 ARG CB . 6579 1 107 . 1 1 9 9 ARG CG C 13 27.162 0.1 . 1 . . . . 9 ARG CG . 6579 1 108 . 1 1 9 9 ARG CD C 13 43.309 0.1 . 1 . . . . 9 ARG CD . 6579 1 109 . 1 1 9 9 ARG N N 15 118.683 0.1 . 1 . . . . 9 ARG N . 6579 1 110 . 1 1 10 10 THR H H 1 7.472 0.02 . 1 . . . . 10 THR HN . 6579 1 111 . 1 1 10 10 THR HA H 1 4.068 0.02 . 1 . . . . 10 THR HA . 6579 1 112 . 1 1 10 10 THR HB H 1 4.370 0.02 . 1 . . . . 10 THR HB . 6579 1 113 . 1 1 10 10 THR HG21 H 1 1.261 0.02 . 1 . . . . 10 THR HG2 . 6579 1 114 . 1 1 10 10 THR HG22 H 1 1.261 0.02 . 1 . . . . 10 THR HG2 . 6579 1 115 . 1 1 10 10 THR HG23 H 1 1.261 0.02 . 1 . . . . 10 THR HG2 . 6579 1 116 . 1 1 10 10 THR C C 13 175.478 0.1 . 1 . . . . 10 THR C . 6579 1 117 . 1 1 10 10 THR CA C 13 64.704 0.1 . 1 . . . . 10 THR CA . 6579 1 118 . 1 1 10 10 THR CB C 13 68.864 0.1 . 1 . . . . 10 THR CB . 6579 1 119 . 1 1 10 10 THR CG2 C 13 22.313 0.1 . 1 . . . . 10 THR CG2 . 6579 1 120 . 1 1 10 10 THR N N 15 115.957 0.1 . 1 . . . . 10 THR N . 6579 1 121 . 1 1 11 11 LEU H H 1 8.002 0.02 . 1 . . . . 11 LEU HN . 6579 1 122 . 1 1 11 11 LEU HA H 1 4.029 0.02 . 1 . . . . 11 LEU HA . 6579 1 123 . 1 1 11 11 LEU HB2 H 1 1.796 0.02 . 2 . . . . 11 LEU HB2 . 6579 1 124 . 1 1 11 11 LEU HB3 H 1 1.620 0.02 . 2 . . . . 11 LEU HB3 . 6579 1 125 . 1 1 11 11 LEU HG H 1 1.697 0.02 . 1 . . . . 11 LEU HG . 6579 1 126 . 1 1 11 11 LEU HD11 H 1 0.911 0.02 . 2 . . . . 11 LEU HD11 . 6579 1 127 . 1 1 11 11 LEU HD12 H 1 0.911 0.02 . 2 . . . . 11 LEU HD11 . 6579 1 128 . 1 1 11 11 LEU HD13 H 1 0.911 0.02 . 2 . . . . 11 LEU HD11 . 6579 1 129 . 1 1 11 11 LEU HD21 H 1 0.877 0.02 . 1 . . . . 11 LEU HD2 . 6579 1 130 . 1 1 11 11 LEU HD22 H 1 0.877 0.02 . 1 . . . . 11 LEU HD2 . 6579 1 131 . 1 1 11 11 LEU HD23 H 1 0.877 0.02 . 1 . . . . 11 LEU HD2 . 6579 1 132 . 1 1 11 11 LEU C C 13 177.995 0.1 . 1 . . . . 11 LEU C . 6579 1 133 . 1 1 11 11 LEU CA C 13 57.953 0.1 . 1 . . . . 11 LEU CA . 6579 1 134 . 1 1 11 11 LEU CB C 13 41.450 0.1 . 1 . . . . 11 LEU CB . 6579 1 135 . 1 1 11 11 LEU CG C 13 27.162 0.1 . 1 . . . . 11 LEU CG . 6579 1 136 . 1 1 11 11 LEU CD1 C 13 24.158 0.1 . 1 . . . . 11 LEU CD1 . 6579 1 137 . 1 1 11 11 LEU CD2 C 13 24.158 0.1 . 1 . . . . 11 LEU CD2 . 6579 1 138 . 1 1 11 11 LEU N N 15 121.584 0.1 . 1 . . . . 11 LEU N . 6579 1 139 . 1 1 12 12 ARG H H 1 8.267 0.02 . 1 . . . . 12 ARG HN . 6579 1 140 . 1 1 12 12 ARG HA H 1 3.879 0.02 . 1 . . . . 12 ARG HA . 6579 1 141 . 1 1 12 12 ARG HB2 H 1 1.883 0.02 . 1 . . . . 12 ARG HB . 6579 1 142 . 1 1 12 12 ARG HB3 H 1 1.883 0.02 . 1 . . . . 12 ARG HB . 6579 1 143 . 1 1 12 12 ARG HG2 H 1 1.630 0.02 . 2 . . . . 12 ARG HG2 . 6579 1 144 . 1 1 12 12 ARG HG3 H 1 1.702 0.02 . 2 . . . . 12 ARG HG3 . 6579 1 145 . 1 1 12 12 ARG HD2 H 1 3.206 0.02 . 1 . . . . 12 ARG HD . 6579 1 146 . 1 1 12 12 ARG HD3 H 1 3.206 0.02 . 1 . . . . 12 ARG HD . 6579 1 147 . 1 1 12 12 ARG C C 13 178.146 0.1 . 1 . . . . 12 ARG C . 6579 1 148 . 1 1 12 12 ARG CA C 13 59.802 0.1 . 1 . . . . 12 ARG CA . 6579 1 149 . 1 1 12 12 ARG CB C 13 29.836 0.1 . 1 . . . . 12 ARG CB . 6579 1 150 . 1 1 12 12 ARG CG C 13 27.905 0.1 . 1 . . . . 12 ARG CG . 6579 1 151 . 1 1 12 12 ARG CD C 13 43.310 0.1 . 1 . . . . 12 ARG CD . 6579 1 152 . 1 1 12 12 ARG N N 15 116.905 0.1 . 1 . . . . 12 ARG N . 6579 1 153 . 1 1 13 13 ARG H H 1 7.728 0.02 . 1 . . . . 13 ARG HN . 6579 1 154 . 1 1 13 13 ARG HA H 1 4.142 0.02 . 1 . . . . 13 ARG HA . 6579 1 155 . 1 1 13 13 ARG HB2 H 1 1.943 0.02 . 2 . . . . 13 ARG HB2 . 6579 1 156 . 1 1 13 13 ARG HB3 H 1 2.000 0.02 . 2 . . . . 13 ARG HB3 . 6579 1 157 . 1 1 13 13 ARG HG2 H 1 1.740 0.02 . 1 . . . . 13 ARG HG . 6579 1 158 . 1 1 13 13 ARG HG3 H 1 1.740 0.02 . 1 . . . . 13 ARG HG . 6579 1 159 . 1 1 13 13 ARG HD2 H 1 3.294 0.02 . 2 . . . . 13 ARG HD2 . 6579 1 160 . 1 1 13 13 ARG HD3 H 1 3.196 0.02 . 2 . . . . 13 ARG HD3 . 6579 1 161 . 1 1 13 13 ARG C C 13 178.407 0.1 . 1 . . . . 13 ARG C . 6579 1 162 . 1 1 13 13 ARG CA C 13 59.081 0.1 . 1 . . . . 13 ARG CA . 6579 1 163 . 1 1 13 13 ARG CB C 13 29.787 0.1 . 1 . . . . 13 ARG CB . 6579 1 164 . 1 1 13 13 ARG CG C 13 27.164 0.1 . 1 . . . . 13 ARG CG . 6579 1 165 . 1 1 13 13 ARG CD C 13 43.310 0.1 . 1 . . . . 13 ARG CD . 6579 1 166 . 1 1 13 13 ARG N N 15 118.269 0.1 . 1 . . . . 13 ARG N . 6579 1 167 . 1 1 14 14 LEU H H 1 7.909 0.02 . 1 . . . . 14 LEU HN . 6579 1 168 . 1 1 14 14 LEU HA H 1 4.095 0.02 . 1 . . . . 14 LEU HA . 6579 1 169 . 1 1 14 14 LEU HB2 H 1 1.597 0.02 . 2 . . . . 14 LEU HB2 . 6579 1 170 . 1 1 14 14 LEU HB3 H 1 1.900 0.02 . 2 . . . . 14 LEU HB3 . 6579 1 171 . 1 1 14 14 LEU HG H 1 1.580 0.02 . 1 . . . . 14 LEU HG . 6579 1 172 . 1 1 14 14 LEU HD11 H 1 0.903 0.02 . 2 . . . . 14 LEU HD11 . 6579 1 173 . 1 1 14 14 LEU HD12 H 1 0.903 0.02 . 2 . . . . 14 LEU HD11 . 6579 1 174 . 1 1 14 14 LEU HD13 H 1 0.903 0.02 . 2 . . . . 14 LEU HD11 . 6579 1 175 . 1 1 14 14 LEU HD21 H 1 0.880 0.02 . 1 . . . . 14 LEU HD2 . 6579 1 176 . 1 1 14 14 LEU HD22 H 1 0.880 0.02 . 1 . . . . 14 LEU HD2 . 6579 1 177 . 1 1 14 14 LEU HD23 H 1 0.880 0.02 . 1 . . . . 14 LEU HD2 . 6579 1 178 . 1 1 14 14 LEU C C 13 178.439 0.1 . 1 . . . . 14 LEU C . 6579 1 179 . 1 1 14 14 LEU CA C 13 57.955 0.1 . 1 . . . . 14 LEU CA . 6579 1 180 . 1 1 14 14 LEU CB C 13 41.817 0.1 . 1 . . . . 14 LEU CB . 6579 1 181 . 1 1 14 14 LEU CG C 13 27.162 0.1 . 1 . . . . 14 LEU CG . 6579 1 182 . 1 1 14 14 LEU CD1 C 13 25.285 0.1 . 2 . . . . 14 LEU CD1 . 6579 1 183 . 1 1 14 14 LEU CD2 C 13 24.158 0.1 . 2 . . . . 14 LEU CD2 . 6579 1 184 . 1 1 14 14 LEU N N 15 118.789 0.1 . 1 . . . . 14 LEU N . 6579 1 185 . 1 1 15 15 LEU H H 1 7.844 0.02 . 1 . . . . 15 LEU HN . 6579 1 186 . 1 1 15 15 LEU HA H 1 4.095 0.02 . 1 . . . . 15 LEU HA . 6579 1 187 . 1 1 15 15 LEU HB2 H 1 1.616 0.02 . 2 . . . . 15 LEU HB2 . 6579 1 188 . 1 1 15 15 LEU HB3 H 1 1.854 0.02 . 2 . . . . 15 LEU HB3 . 6579 1 189 . 1 1 15 15 LEU HG H 1 1.845 0.02 . 1 . . . . 15 LEU HG . 6579 1 190 . 1 1 15 15 LEU HD11 H 1 0.863 0.02 . 1 . . . . 15 LEU HD1 . 6579 1 191 . 1 1 15 15 LEU HD12 H 1 0.863 0.02 . 1 . . . . 15 LEU HD1 . 6579 1 192 . 1 1 15 15 LEU HD13 H 1 0.863 0.02 . 1 . . . . 15 LEU HD1 . 6579 1 193 . 1 1 15 15 LEU C C 13 178.513 0.1 . 1 . . . . 15 LEU C . 6579 1 194 . 1 1 15 15 LEU CA C 13 57.202 0.1 . 1 . . . . 15 LEU CA . 6579 1 195 . 1 1 15 15 LEU CB C 13 41.807 0.1 . 1 . . . . 15 LEU CB . 6579 1 196 . 1 1 15 15 LEU CG C 13 27.143 0.1 . 1 . . . . 15 LEU CG . 6579 1 197 . 1 1 15 15 LEU CD1 C 13 23.407 0.1 . 1 . . . . 15 LEU CD1 . 6579 1 198 . 1 1 15 15 LEU N N 15 116.025 0.1 . 1 . . . . 15 LEU N . 6579 1 199 . 1 1 16 16 GLN H H 1 7.969 0.02 . 1 . . . . 16 GLN HN . 6579 1 200 . 1 1 16 16 GLN HA H 1 4.191 0.02 . 1 . . . . 16 GLN HA . 6579 1 201 . 1 1 16 16 GLN HB2 H 1 2.202 0.02 . 1 . . . . 16 GLN HB . 6579 1 202 . 1 1 16 16 GLN HB3 H 1 2.202 0.02 . 1 . . . . 16 GLN HB . 6579 1 203 . 1 1 16 16 GLN HG2 H 1 2.413 0.02 . 2 . . . . 16 GLN HG2 . 6579 1 204 . 1 1 16 16 GLN HG3 H 1 2.506 0.02 . 2 . . . . 16 GLN HG3 . 6579 1 205 . 1 1 16 16 GLN HE21 H 1 7.537 0.02 . 2 . . . . 16 GLN HE21 . 6579 1 206 . 1 1 16 16 GLN HE22 H 1 6.799 0.02 . 2 . . . . 16 GLN HE22 . 6579 1 207 . 1 1 16 16 GLN C C 13 177.859 0.1 . 1 . . . . 16 GLN C . 6579 1 208 . 1 1 16 16 GLN CA C 13 57.922 0.1 . 1 . . . . 16 GLN CA . 6579 1 209 . 1 1 16 16 GLN CB C 13 29.023 0.1 . 1 . . . . 16 GLN CB . 6579 1 210 . 1 1 16 16 GLN CG C 13 34.286 0.1 . 1 . . . . 16 GLN CG . 6579 1 211 . 1 1 16 16 GLN N N 15 117.835 0.1 . 1 . . . . 16 GLN N . 6579 1 212 . 1 1 16 16 GLN NE2 N 15 111.334 0.1 . 1 . . . . 16 GLN NE2 . 6579 1 213 . 1 1 17 17 GLU H H 1 8.171 0.02 . 1 . . . . 17 GLU HN . 6579 1 214 . 1 1 17 17 GLU HA H 1 4.289 0.02 . 1 . . . . 17 GLU HA . 6579 1 215 . 1 1 17 17 GLU HB2 H 1 2.130 0.02 . 1 . . . . 17 GLU HB . 6579 1 216 . 1 1 17 17 GLU HB3 H 1 2.130 0.02 . 1 . . . . 17 GLU HB . 6579 1 217 . 1 1 17 17 GLU HG2 H 1 2.469 0.02 . 2 . . . . 17 GLU HG2 . 6579 1 218 . 1 1 17 17 GLU HG3 H 1 2.418 0.02 . 2 . . . . 17 GLU HG3 . 6579 1 219 . 1 1 17 17 GLU C C 13 177.030 0.1 . 1 . . . . 17 GLU C . 6579 1 220 . 1 1 17 17 GLU CA C 13 57.579 0.1 . 1 . . . . 17 GLU CA . 6579 1 221 . 1 1 17 17 GLU CB C 13 29.040 0.1 . 1 . . . . 17 GLU CB . 6579 1 222 . 1 1 17 17 GLU CG C 13 35.046 0.1 . 1 . . . . 17 GLU CG . 6579 1 223 . 1 1 17 17 GLU N N 15 118.783 0.1 . 1 . . . . 17 GLU N . 6579 1 224 . 1 1 18 18 ARG H H 1 7.806 0.02 . 1 . . . . 18 ARG HN . 6579 1 225 . 1 1 18 18 ARG HA H 1 4.209 0.02 . 1 . . . . 18 ARG HA . 6579 1 226 . 1 1 18 18 ARG HB2 H 1 1.986 0.02 . 2 . . . . 18 ARG HB2 . 6579 1 227 . 1 1 18 18 ARG HB3 H 1 1.859 0.02 . 2 . . . . 18 ARG HB3 . 6579 1 228 . 1 1 18 18 ARG HG2 H 1 1.749 0.02 . 1 . . . . 18 ARG HG . 6579 1 229 . 1 1 18 18 ARG HG3 H 1 1.749 0.02 . 1 . . . . 18 ARG HG . 6579 1 230 . 1 1 18 18 ARG HD2 H 1 3.190 0.02 . 1 . . . . 18 ARG HD . 6579 1 231 . 1 1 18 18 ARG HD3 H 1 3.190 0.02 . 1 . . . . 18 ARG HD . 6579 1 232 . 1 1 18 18 ARG C C 13 175.946 0.1 . 1 . . . . 18 ARG C . 6579 1 233 . 1 1 18 18 ARG CA C 13 57.204 0.1 . 1 . . . . 18 ARG CA . 6579 1 234 . 1 1 18 18 ARG CB C 13 30.160 0.1 . 1 . . . . 18 ARG CB . 6579 1 235 . 1 1 18 18 ARG CG C 13 27.165 0.1 . 1 . . . . 18 ARG CG . 6579 1 236 . 1 1 18 18 ARG CD C 13 43.310 0.1 . 1 . . . . 18 ARG CD . 6579 1 237 . 1 1 18 18 ARG N N 15 118.789 0.1 . 1 . . . . 18 ARG N . 6579 1 238 . 1 1 19 19 GLU H H 1 8.143 0.02 . 1 . . . . 19 GLU HN . 6579 1 239 . 1 1 19 19 GLU HA H 1 4.222 0.02 . 1 . . . . 19 GLU HA . 6579 1 240 . 1 1 19 19 GLU HB2 H 1 2.125 0.02 . 2 . . . . 19 GLU HB2 . 6579 1 241 . 1 1 19 19 GLU HB3 H 1 2.035 0.02 . 2 . . . . 19 GLU HB3 . 6579 1 242 . 1 1 19 19 GLU HG2 H 1 2.327 0.02 . 1 . . . . 19 GLU HG . 6579 1 243 . 1 1 19 19 GLU HG3 H 1 2.327 0.02 . 1 . . . . 19 GLU HG . 6579 1 244 . 1 1 19 19 GLU C C 13 176.205 0.1 . 1 . . . . 19 GLU C . 6579 1 245 . 1 1 19 19 GLU CA C 13 57.174 0.1 . 1 . . . . 19 GLU CA . 6579 1 246 . 1 1 19 19 GLU CB C 13 29.053 0.1 . 1 . . . . 19 GLU CB . 6579 1 247 . 1 1 19 19 GLU CG C 13 35.408 0.1 . 1 . . . . 19 GLU CG . 6579 1 248 . 1 1 19 19 GLU N N 15 117.857 0.1 . 1 . . . . 19 GLU N . 6579 1 249 . 1 1 20 20 LEU H H 1 7.990 0.02 . 1 . . . . 20 LEU HN . 6579 1 250 . 1 1 20 20 LEU HA H 1 4.319 0.02 . 1 . . . . 20 LEU HA . 6579 1 251 . 1 1 20 20 LEU HB2 H 1 1.599 0.02 . 2 . . . . 20 LEU HB2 . 6579 1 252 . 1 1 20 20 LEU HB3 H 1 1.742 0.02 . 2 . . . . 20 LEU HB3 . 6579 1 253 . 1 1 20 20 LEU HG H 1 1.694 0.02 . 1 . . . . 20 LEU HG . 6579 1 254 . 1 1 20 20 LEU HD11 H 1 0.933 0.02 . 1 . . . . 20 LEU HD1 . 6579 1 255 . 1 1 20 20 LEU HD12 H 1 0.933 0.02 . 1 . . . . 20 LEU HD1 . 6579 1 256 . 1 1 20 20 LEU HD13 H 1 0.933 0.02 . 1 . . . . 20 LEU HD1 . 6579 1 257 . 1 1 20 20 LEU HD21 H 1 0.881 0.02 . 1 . . . . 20 LEU HD2 . 6579 1 258 . 1 1 20 20 LEU HD22 H 1 0.881 0.02 . 1 . . . . 20 LEU HD2 . 6579 1 259 . 1 1 20 20 LEU HD23 H 1 0.881 0.02 . 1 . . . . 20 LEU HD2 . 6579 1 260 . 1 1 20 20 LEU C C 13 176.660 0.1 . 1 . . . . 20 LEU C . 6579 1 261 . 1 1 20 20 LEU CA C 13 55.709 0.1 . 1 . . . . 20 LEU CA . 6579 1 262 . 1 1 20 20 LEU CB C 13 42.572 0.1 . 1 . . . . 20 LEU CB . 6579 1 263 . 1 1 20 20 LEU CG C 13 27.173 0.1 . 1 . . . . 20 LEU CG . 6579 1 264 . 1 1 20 20 LEU CD1 C 13 25.285 0.1 . 2 . . . . 20 LEU CD1 . 6579 1 265 . 1 1 20 20 LEU CD2 C 13 23.407 0.1 . 2 . . . . 20 LEU CD2 . 6579 1 266 . 1 1 20 20 LEU N N 15 119.707 0.1 . 1 . . . . 20 LEU N . 6579 1 267 . 1 1 21 21 VAL H H 1 7.583 0.02 . 1 . . . . 21 VAL HN . 6579 1 268 . 1 1 21 21 VAL HA H 1 4.190 0.02 . 1 . . . . 21 VAL HA . 6579 1 269 . 1 1 21 21 VAL HB H 1 2.123 0.02 . 1 . . . . 21 VAL HB . 6579 1 270 . 1 1 21 21 VAL HG11 H 1 0.915 0.02 . 1 . . . . 21 VAL HG1 . 6579 1 271 . 1 1 21 21 VAL HG12 H 1 0.915 0.02 . 1 . . . . 21 VAL HG1 . 6579 1 272 . 1 1 21 21 VAL HG13 H 1 0.915 0.02 . 1 . . . . 21 VAL HG1 . 6579 1 273 . 1 1 21 21 VAL C C 13 175.583 0.1 . 1 . . . . 21 VAL C . 6579 1 274 . 1 1 21 21 VAL CA C 13 61.705 0.1 . 1 . . . . 21 VAL CA . 6579 1 275 . 1 1 21 21 VAL CB C 13 33.168 0.1 . 1 . . . . 21 VAL CB . 6579 1 276 . 1 1 21 21 VAL CG1 C 13 21.529 0.1 . 1 . . . . 21 VAL CG1 . 6579 1 277 . 1 1 21 21 VAL N N 15 115.079 0.1 . 1 . . . . 21 VAL N . 6579 1 278 . 1 1 22 22 GLU H H 1 8.238 0.02 . 1 . . . . 22 GLU HN . 6579 1 279 . 1 1 22 22 GLU HA H 1 4.519 0.02 . 1 . . . . 22 GLU HA . 6579 1 280 . 1 1 22 22 GLU HB2 H 1 1.947 0.02 . 2 . . . . 22 GLU HB2 . 6579 1 281 . 1 1 22 22 GLU HB3 H 1 2.065 0.02 . 2 . . . . 22 GLU HB3 . 6579 1 282 . 1 1 22 22 GLU HG2 H 1 2.323 0.02 . 2 . . . . 22 GLU HG2 . 6579 1 283 . 1 1 22 22 GLU HG3 H 1 2.362 0.02 . 2 . . . . 22 GLU HG3 . 6579 1 284 . 1 1 22 22 GLU C C 13 174.265 0.1 . 1 . . . . 22 GLU C . 6579 1 285 . 1 1 22 22 GLU CA C 13 55.326 0.1 . 1 . . . . 22 GLU CA . 6579 1 286 . 1 1 22 22 GLU CB C 13 29.094 0.1 . 1 . . . . 22 GLU CB . 6579 1 287 . 1 1 22 22 GLU CG C 13 35.072 0.1 . 1 . . . . 22 GLU CG . 6579 1 288 . 1 1 22 22 GLU N N 15 123.534 0.1 . 1 . . . . 22 GLU N . 6579 1 289 . 1 1 23 23 PRO HA H 1 4.435 0.02 . 1 . . . . 23 PRO HA . 6579 1 290 . 1 1 23 23 PRO HB2 H 1 1.883 0.02 . 2 . . . . 23 PRO HB2 . 6579 1 291 . 1 1 23 23 PRO HB3 H 1 2.292 0.02 . 2 . . . . 23 PRO HB3 . 6579 1 292 . 1 1 23 23 PRO HG2 H 1 1.990 0.02 . 2 . . . . 23 PRO HG2 . 6579 1 293 . 1 1 23 23 PRO HG3 H 1 2.030 0.02 . 2 . . . . 23 PRO HG3 . 6579 1 294 . 1 1 23 23 PRO HD2 H 1 3.651 0.02 . 2 . . . . 23 PRO HD2 . 6579 1 295 . 1 1 23 23 PRO HD3 H 1 3.765 0.02 . 2 . . . . 23 PRO HD3 . 6579 1 296 . 1 1 23 23 PRO C C 13 176.547 0.1 . 1 . . . . 23 PRO C . 6579 1 297 . 1 1 23 23 PRO CA C 13 63.274 0.1 . 1 . . . . 23 PRO CA . 6579 1 298 . 1 1 23 23 PRO CB C 13 32.042 0.1 . 1 . . . . 23 PRO CB . 6579 1 299 . 1 1 23 23 PRO CG C 13 27.537 0.1 . 1 . . . . 23 PRO CG . 6579 1 300 . 1 1 23 23 PRO CD C 13 50.469 0.1 . 1 . . . . 23 PRO CD . 6579 1 301 . 1 1 24 24 LEU H H 1 8.179 0.02 . 1 . . . . 24 LEU HN . 6579 1 302 . 1 1 24 24 LEU HA H 1 4.352 0.02 . 1 . . . . 24 LEU HA . 6579 1 303 . 1 1 24 24 LEU HB2 H 1 1.598 0.02 . 2 . . . . 24 LEU HB2 . 6579 1 304 . 1 1 24 24 LEU HB3 H 1 1.690 0.02 . 2 . . . . 24 LEU HB3 . 6579 1 305 . 1 1 24 24 LEU HG H 1 1.678 0.02 . 1 . . . . 24 LEU HG . 6579 1 306 . 1 1 24 24 LEU HD11 H 1 0.916 0.02 . 1 . . . . 24 LEU HD1 . 6579 1 307 . 1 1 24 24 LEU HD12 H 1 0.916 0.02 . 1 . . . . 24 LEU HD1 . 6579 1 308 . 1 1 24 24 LEU HD13 H 1 0.916 0.02 . 1 . . . . 24 LEU HD1 . 6579 1 309 . 1 1 24 24 LEU HD21 H 1 0.876 0.02 . 1 . . . . 24 LEU HD2 . 6579 1 310 . 1 1 24 24 LEU HD22 H 1 0.876 0.02 . 1 . . . . 24 LEU HD2 . 6579 1 311 . 1 1 24 24 LEU HD23 H 1 0.876 0.02 . 1 . . . . 24 LEU HD2 . 6579 1 312 . 1 1 24 24 LEU C C 13 177.016 0.1 . 1 . . . . 24 LEU C . 6579 1 313 . 1 1 24 24 LEU CA C 13 55.326 0.1 . 1 . . . . 24 LEU CA . 6579 1 314 . 1 1 24 24 LEU CB C 13 42.566 0.1 . 1 . . . . 24 LEU CB . 6579 1 315 . 1 1 24 24 LEU CG C 13 27.164 0.1 . 1 . . . . 24 LEU CG . 6579 1 316 . 1 1 24 24 LEU CD1 C 13 25.285 0.1 . 1 . . . . 24 LEU CD1 . 6579 1 317 . 1 1 24 24 LEU CD2 C 13 24.158 0.1 . 1 . . . . 24 LEU CD2 . 6579 1 318 . 1 1 24 24 LEU N N 15 120.582 0.1 . 1 . . . . 24 LEU N . 6579 1 319 . 1 1 25 25 THR H H 1 7.976 0.02 . 1 . . . . 25 THR HN . 6579 1 320 . 1 1 25 25 THR HA H 1 4.570 0.02 . 1 . . . . 25 THR HA . 6579 1 321 . 1 1 25 25 THR HB H 1 4.189 0.02 . 1 . . . . 25 THR HB . 6579 1 322 . 1 1 25 25 THR HG21 H 1 1.220 0.02 . 1 . . . . 25 THR HG2 . 6579 1 323 . 1 1 25 25 THR HG22 H 1 1.220 0.02 . 1 . . . . 25 THR HG2 . 6579 1 324 . 1 1 25 25 THR HG23 H 1 1.220 0.02 . 1 . . . . 25 THR HG2 . 6579 1 325 . 1 1 25 25 THR C C 13 172.985 0.1 . 1 . . . . 25 THR C . 6579 1 326 . 1 1 25 25 THR CA C 13 59.806 0.1 . 1 . . . . 25 THR CA . 6579 1 327 . 1 1 25 25 THR CB C 13 69.608 0.1 . 1 . . . . 25 THR CB . 6579 1 328 . 1 1 25 25 THR CG2 C 13 21.537 0.1 . 1 . . . . 25 THR CG2 . 6579 1 329 . 1 1 25 25 THR N N 15 115.155 0.1 . 1 . . . . 25 THR N . 6579 1 330 . 1 1 26 26 PRO HA H 1 4.448 0.02 . 1 . . . . 26 PRO HA . 6579 1 331 . 1 1 26 26 PRO HB2 H 1 1.958 0.02 . 2 . . . . 26 PRO HB2 . 6579 1 332 . 1 1 26 26 PRO HB3 H 1 2.318 0.02 . 2 . . . . 26 PRO HB3 . 6579 1 333 . 1 1 26 26 PRO HG2 H 1 1.970 0.02 . 2 . . . . 26 PRO HG2 . 6579 1 334 . 1 1 26 26 PRO HG3 H 1 2.055 0.02 . 2 . . . . 26 PRO HG3 . 6579 1 335 . 1 1 26 26 PRO HD2 H 1 3.711 0.02 . 2 . . . . 26 PRO HD2 . 6579 1 336 . 1 1 26 26 PRO HD3 H 1 3.848 0.02 . 2 . . . . 26 PRO HD3 . 6579 1 337 . 1 1 26 26 PRO C C 13 176.979 0.1 . 1 . . . . 26 PRO C . 6579 1 338 . 1 1 26 26 PRO CA C 13 63.212 0.1 . 1 . . . . 26 PRO CA . 6579 1 339 . 1 1 26 26 PRO CB C 13 32.049 0.1 . 1 . . . . 26 PRO CB . 6579 1 340 . 1 1 26 26 PRO CG C 13 27.538 0.1 . 1 . . . . 26 PRO CG . 6579 1 341 . 1 1 26 26 PRO CD C 13 51.195 0.1 . 1 . . . . 26 PRO CD . 6579 1 342 . 1 1 27 27 SER H H 1 8.385 0.02 . 1 . . . . 27 SER HN . 6579 1 343 . 1 1 27 27 SER HA H 1 4.421 0.02 . 1 . . . . 27 SER HA . 6579 1 344 . 1 1 27 27 SER HB2 H 1 3.874 0.02 . 2 . . . . 27 SER HB2 . 6579 1 345 . 1 1 27 27 SER HB3 H 1 3.911 0.02 . 2 . . . . 27 SER HB3 . 6579 1 346 . 1 1 27 27 SER C C 13 175.179 0.1 . 1 . . . . 27 SER C . 6579 1 347 . 1 1 27 27 SER CA C 13 58.701 0.1 . 1 . . . . 27 SER CA . 6579 1 348 . 1 1 27 27 SER CB C 13 63.960 0.1 . 1 . . . . 27 SER CB . 6579 1 349 . 1 1 27 27 SER N N 15 115.993 0.1 . 1 . . . . 27 SER N . 6579 1 350 . 1 1 28 28 GLY H H 1 8.359 0.02 . 1 . . . . 28 GLY HN . 6579 1 351 . 1 1 28 28 GLY HA2 H 1 3.968 0.02 . 2 . . . . 28 GLY HA2 . 6579 1 352 . 1 1 28 28 GLY HA3 H 1 3.966 0.02 . 2 . . . . 28 GLY HA3 . 6579 1 353 . 1 1 28 28 GLY C C 13 173.754 0.1 . 1 . . . . 28 GLY C . 6579 1 354 . 1 1 28 28 GLY CA C 13 45.563 0.1 . 1 . . . . 28 GLY CA . 6579 1 355 . 1 1 28 28 GLY N N 15 110.530 0.1 . 1 . . . . 28 GLY N . 6579 1 356 . 1 1 29 29 GLU H H 1 8.079 0.02 . 1 . . . . 29 GLU HN . 6579 1 357 . 1 1 29 29 GLU HA H 1 4.335 0.02 . 1 . . . . 29 GLU HA . 6579 1 358 . 1 1 29 29 GLU HB2 H 1 1.880 0.02 . 2 . . . . 29 GLU HB2 . 6579 1 359 . 1 1 29 29 GLU HB3 H 1 2.026 0.02 . 2 . . . . 29 GLU HB3 . 6579 1 360 . 1 1 29 29 GLU HG2 H 1 2.240 0.02 . 1 . . . . 29 GLU HG . 6579 1 361 . 1 1 29 29 GLU HG3 H 1 2.240 0.02 . 1 . . . . 29 GLU HG . 6579 1 362 . 1 1 29 29 GLU C C 13 175.766 0.1 . 1 . . . . 29 GLU C . 6579 1 363 . 1 1 29 29 GLU CA C 13 56.011 0.1 . 1 . . . . 29 GLU CA . 6579 1 364 . 1 1 29 29 GLU CB C 13 31.293 0.1 . 1 . . . . 29 GLU CB . 6579 1 365 . 1 1 29 29 GLU CG C 13 35.841 0.1 . 1 . . . . 29 GLU CG . 6579 1 366 . 1 1 29 29 GLU N N 15 120.652 0.1 . 1 . . . . 29 GLU N . 6579 1 367 . 1 1 30 30 ALA H H 1 8.465 0.02 . 1 . . . . 30 ALA HN . 6579 1 368 . 1 1 30 30 ALA HA H 1 4.618 0.02 . 1 . . . . 30 ALA HA . 6579 1 369 . 1 1 30 30 ALA HB1 H 1 1.461 0.02 . 1 . . . . 30 ALA HB . 6579 1 370 . 1 1 30 30 ALA HB2 H 1 1.461 0.02 . 1 . . . . 30 ALA HB . 6579 1 371 . 1 1 30 30 ALA HB3 H 1 1.461 0.02 . 1 . . . . 30 ALA HB . 6579 1 372 . 1 1 30 30 ALA C C 13 176.317 0.1 . 1 . . . . 30 ALA C . 6579 1 373 . 1 1 30 30 ALA CA C 13 50.820 0.1 . 1 . . . . 30 ALA CA . 6579 1 374 . 1 1 30 30 ALA CB C 13 18.175 0.1 . 1 . . . . 30 ALA CB . 6579 1 375 . 1 1 30 30 ALA N N 15 126.589 0.1 . 1 . . . . 30 ALA N . 6579 1 376 . 1 1 31 31 PRO HA H 1 4.361 0.02 . 1 . . . . 31 PRO HA . 6579 1 377 . 1 1 31 31 PRO HB2 H 1 1.958 0.02 . 2 . . . . 31 PRO HB2 . 6579 1 378 . 1 1 31 31 PRO HB3 H 1 2.284 0.02 . 2 . . . . 31 PRO HB3 . 6579 1 379 . 1 1 31 31 PRO HG2 H 1 2.056 0.02 . 2 . . . . 31 PRO HG2 . 6579 1 380 . 1 1 31 31 PRO HG3 H 1 2.126 0.02 . 2 . . . . 31 PRO HG3 . 6579 1 381 . 1 1 31 31 PRO HD2 H 1 3.796 0.02 . 2 . . . . 31 PRO HD2 . 6579 1 382 . 1 1 31 31 PRO HD3 H 1 3.878 0.02 . 2 . . . . 31 PRO HD3 . 6579 1 383 . 1 1 31 31 PRO C C 13 177.213 0.1 . 1 . . . . 31 PRO C . 6579 1 384 . 1 1 31 31 PRO CA C 13 64.750 0.1 . 1 . . . . 31 PRO CA . 6579 1 385 . 1 1 31 31 PRO CB C 13 32.033 0.1 . 1 . . . . 31 PRO CB . 6579 1 386 . 1 1 31 31 PRO CG C 13 27.544 0.1 . 1 . . . . 31 PRO CG . 6579 1 387 . 1 1 31 31 PRO CD C 13 50.441 0.1 . 1 . . . . 31 PRO CD . 6579 1 388 . 1 1 32 32 ASN H H 1 8.661 0.02 . 1 . . . . 32 ASN HN . 6579 1 389 . 1 1 32 32 ASN HA H 1 4.407 0.02 . 1 . . . . 32 ASN HA . 6579 1 390 . 1 1 32 32 ASN HB2 H 1 2.782 0.02 . 2 . . . . 32 ASN HB2 . 6579 1 391 . 1 1 32 32 ASN HB3 H 1 2.827 0.02 . 2 . . . . 32 ASN HB3 . 6579 1 392 . 1 1 32 32 ASN HD21 H 1 6.910 0.02 . 2 . . . . 32 ASN HD21 . 6579 1 393 . 1 1 32 32 ASN HD22 H 1 7.855 0.02 . 2 . . . . 32 ASN HD22 . 6579 1 394 . 1 1 32 32 ASN C C 13 176.100 0.1 . 1 . . . . 32 ASN C . 6579 1 395 . 1 1 32 32 ASN CA C 13 55.702 0.1 . 1 . . . . 32 ASN CA . 6579 1 396 . 1 1 32 32 ASN CB C 13 38.041 0.1 . 1 . . . . 32 ASN CB . 6579 1 397 . 1 1 32 32 ASN N N 15 115.071 0.1 . 1 . . . . 32 ASN N . 6579 1 398 . 1 1 32 32 ASN ND2 N 15 112.334 0.1 . 1 . . . . 32 ASN ND2 . 6579 1 399 . 1 1 33 33 GLN H H 1 7.824 0.02 . 1 . . . . 33 GLN HN . 6579 1 400 . 1 1 33 33 GLN HA H 1 4.090 0.02 . 1 . . . . 33 GLN HA . 6579 1 401 . 1 1 33 33 GLN HB2 H 1 2.183 0.02 . 1 . . . . 33 GLN HB . 6579 1 402 . 1 1 33 33 GLN HB3 H 1 2.183 0.02 . 1 . . . . 33 GLN HB . 6579 1 403 . 1 1 33 33 GLN HG2 H 1 2.433 0.02 . 1 . . . . 33 GLN HG . 6579 1 404 . 1 1 33 33 GLN HG3 H 1 2.433 0.02 . 1 . . . . 33 GLN HG . 6579 1 405 . 1 1 33 33 GLN HE21 H 1 7.630 0.02 . 2 . . . . 33 GLN HE21 . 6579 1 406 . 1 1 33 33 GLN HE22 H 1 6.867 0.02 . 2 . . . . 33 GLN HE22 . 6579 1 407 . 1 1 33 33 GLN C C 13 177.806 0.1 . 1 . . . . 33 GLN C . 6579 1 408 . 1 1 33 33 GLN CA C 13 57.970 0.1 . 1 . . . . 33 GLN CA . 6579 1 409 . 1 1 33 33 GLN CB C 13 28.669 0.1 . 1 . . . . 33 GLN CB . 6579 1 410 . 1 1 33 33 GLN CG C 13 34.249 0.1 . 1 . . . . 33 GLN CG . 6579 1 411 . 1 1 33 33 GLN N N 15 119.720 0.1 . 1 . . . . 33 GLN N . 6579 1 412 . 1 1 33 33 GLN NE2 N 15 112.266 0.1 . 1 . . . . 33 GLN NE2 . 6579 1 413 . 1 1 34 34 ALA H H 1 8.210 0.02 . 1 . . . . 34 ALA HN . 6579 1 414 . 1 1 34 34 ALA HA H 1 4.132 0.02 . 1 . . . . 34 ALA HA . 6579 1 415 . 1 1 34 34 ALA HB1 H 1 1.459 0.02 . 1 . . . . 34 ALA HB . 6579 1 416 . 1 1 34 34 ALA HB2 H 1 1.459 0.02 . 1 . . . . 34 ALA HB . 6579 1 417 . 1 1 34 34 ALA HB3 H 1 1.459 0.02 . 1 . . . . 34 ALA HB . 6579 1 418 . 1 1 34 34 ALA C C 13 179.365 0.1 . 1 . . . . 34 ALA C . 6579 1 419 . 1 1 34 34 ALA CA C 13 54.951 0.1 . 1 . . . . 34 ALA CA . 6579 1 420 . 1 1 34 34 ALA CB C 13 18.532 0.1 . 1 . . . . 34 ALA CB . 6579 1 421 . 1 1 34 34 ALA N N 15 123.434 0.1 . 1 . . . . 34 ALA N . 6579 1 422 . 1 1 35 35 LEU H H 1 8.108 0.02 . 1 . . . . 35 LEU HN . 6579 1 423 . 1 1 35 35 LEU HA H 1 4.043 0.02 . 1 . . . . 35 LEU HA . 6579 1 424 . 1 1 35 35 LEU HB2 H 1 1.708 0.02 . 1 . . . . 35 LEU HB . 6579 1 425 . 1 1 35 35 LEU HB3 H 1 1.708 0.02 . 1 . . . . 35 LEU HB . 6579 1 426 . 1 1 35 35 LEU HG H 1 1.701 0.02 . 1 . . . . 35 LEU HG . 6579 1 427 . 1 1 35 35 LEU HD11 H 1 0.914 0.02 . 1 . . . . 35 LEU HD1 . 6579 1 428 . 1 1 35 35 LEU HD12 H 1 0.914 0.02 . 1 . . . . 35 LEU HD1 . 6579 1 429 . 1 1 35 35 LEU HD13 H 1 0.914 0.02 . 1 . . . . 35 LEU HD1 . 6579 1 430 . 1 1 35 35 LEU C C 13 178.176 0.1 . 1 . . . . 35 LEU C . 6579 1 431 . 1 1 35 35 LEU CA C 13 57.949 0.1 . 1 . . . . 35 LEU CA . 6579 1 432 . 1 1 35 35 LEU CB C 13 41.808 0.1 . 1 . . . . 35 LEU CB . 6579 1 433 . 1 1 35 35 LEU CG C 13 27.162 0.1 . 1 . . . . 35 LEU CG . 6579 1 434 . 1 1 35 35 LEU CD1 C 13 24.534 0.1 . 1 . . . . 35 LEU CD1 . 6579 1 435 . 1 1 35 35 LEU N N 15 117.855 0.1 . 1 . . . . 35 LEU N . 6579 1 436 . 1 1 36 36 LEU H H 1 7.793 0.02 . 1 . . . . 36 LEU HN . 6579 1 437 . 1 1 36 36 LEU HA H 1 3.991 0.02 . 1 . . . . 36 LEU HA . 6579 1 438 . 1 1 36 36 LEU HB2 H 1 1.646 0.02 . 2 . . . . 36 LEU HB2 . 6579 1 439 . 1 1 36 36 LEU HB3 H 1 1.792 0.02 . 2 . . . . 36 LEU HB3 . 6579 1 440 . 1 1 36 36 LEU HG H 1 1.578 0.02 . 1 . . . . 36 LEU HG . 6579 1 441 . 1 1 36 36 LEU HD11 H 1 0.933 0.02 . 1 . . . . 36 LEU HD1 . 6579 1 442 . 1 1 36 36 LEU HD12 H 1 0.933 0.02 . 1 . . . . 36 LEU HD1 . 6579 1 443 . 1 1 36 36 LEU HD13 H 1 0.933 0.02 . 1 . . . . 36 LEU HD1 . 6579 1 444 . 1 1 36 36 LEU HD21 H 1 0.936 0.02 . 1 . . . . 36 LEU HD2 . 6579 1 445 . 1 1 36 36 LEU HD22 H 1 0.936 0.02 . 1 . . . . 36 LEU HD2 . 6579 1 446 . 1 1 36 36 LEU HD23 H 1 0.936 0.02 . 1 . . . . 36 LEU HD2 . 6579 1 447 . 1 1 36 36 LEU C C 13 178.504 0.1 . 1 . . . . 36 LEU C . 6579 1 448 . 1 1 36 36 LEU CA C 13 57.958 0.1 . 1 . . . . 36 LEU CA . 6579 1 449 . 1 1 36 36 LEU CB C 13 41.437 0.1 . 1 . . . . 36 LEU CB . 6579 1 450 . 1 1 36 36 LEU CG C 13 27.162 0.1 . 1 . . . . 36 LEU CG . 6579 1 451 . 1 1 36 36 LEU CD1 C 13 24.534 0.1 . 1 . . . . 36 LEU CD1 . 6579 1 452 . 1 1 36 36 LEU CD2 C 13 24.533 0.1 . 1 . . . . 36 LEU CD2 . 6579 1 453 . 1 1 36 36 LEU N N 15 117.857 0.1 . 1 . . . . 36 LEU N . 6579 1 454 . 1 1 37 37 ARG H H 1 7.805 0.02 . 1 . . . . 37 ARG HN . 6579 1 455 . 1 1 37 37 ARG HA H 1 3.984 0.02 . 1 . . . . 37 ARG HA . 6579 1 456 . 1 1 37 37 ARG HB2 H 1 2.011 0.02 . 2 . . . . 37 ARG HB2 . 6579 1 457 . 1 1 37 37 ARG HB3 H 1 1.917 0.02 . 2 . . . . 37 ARG HB3 . 6579 1 458 . 1 1 37 37 ARG HG2 H 1 1.785 0.02 . 2 . . . . 37 ARG HG2 . 6579 1 459 . 1 1 37 37 ARG HG3 H 1 1.692 0.02 . 2 . . . . 37 ARG HG3 . 6579 1 460 . 1 1 37 37 ARG HD2 H 1 3.262 0.02 . 2 . . . . 37 ARG HD2 . 6579 1 461 . 1 1 37 37 ARG HD3 H 1 3.189 0.02 . 2 . . . . 37 ARG HD3 . 6579 1 462 . 1 1 37 37 ARG C C 13 178.494 0.1 . 1 . . . . 37 ARG C . 6579 1 463 . 1 1 37 37 ARG CA C 13 59.817 0.1 . 1 . . . . 37 ARG CA . 6579 1 464 . 1 1 37 37 ARG CB C 13 29.790 0.1 . 1 . . . . 37 ARG CB . 6579 1 465 . 1 1 37 37 ARG CG C 13 27.167 0.1 . 1 . . . . 37 ARG CG . 6579 1 466 . 1 1 37 37 ARG CD C 13 43.310 0.1 . 1 . . . . 37 ARG CD . 6579 1 467 . 1 1 37 37 ARG N N 15 118.789 0.1 . 1 . . . . 37 ARG N . 6579 1 468 . 1 1 38 38 ILE H H 1 7.886 0.02 . 1 . . . . 38 ILE HN . 6579 1 469 . 1 1 38 38 ILE HA H 1 3.825 0.02 . 1 . . . . 38 ILE HA . 6579 1 470 . 1 1 38 38 ILE HB H 1 2.013 0.02 . 1 . . . . 38 ILE HB . 6579 1 471 . 1 1 38 38 ILE HG12 H 1 1.750 0.02 . 2 . . . . 38 ILE HG12 . 6579 1 472 . 1 1 38 38 ILE HG13 H 1 1.225 0.02 . 2 . . . . 38 ILE HG13 . 6579 1 473 . 1 1 38 38 ILE HG21 H 1 0.918 0.02 . 1 . . . . 38 ILE HG2 . 6579 1 474 . 1 1 38 38 ILE HG22 H 1 0.918 0.02 . 1 . . . . 38 ILE HG2 . 6579 1 475 . 1 1 38 38 ILE HG23 H 1 0.918 0.02 . 1 . . . . 38 ILE HG2 . 6579 1 476 . 1 1 38 38 ILE HD11 H 1 0.864 0.02 . 1 . . . . 38 ILE HD1 . 6579 1 477 . 1 1 38 38 ILE HD12 H 1 0.864 0.02 . 1 . . . . 38 ILE HD1 . 6579 1 478 . 1 1 38 38 ILE HD13 H 1 0.864 0.02 . 1 . . . . 38 ILE HD1 . 6579 1 479 . 1 1 38 38 ILE C C 13 178.956 0.1 . 1 . . . . 38 ILE C . 6579 1 480 . 1 1 38 38 ILE CA C 13 64.339 0.1 . 1 . . . . 38 ILE CA . 6579 1 481 . 1 1 38 38 ILE CB C 13 38.060 0.1 . 1 . . . . 38 ILE CB . 6579 1 482 . 1 1 38 38 ILE CG1 C 13 29.040 0.1 . 1 . . . . 38 ILE CG1 . 6579 1 483 . 1 1 38 38 ILE CG2 C 13 17.399 0.1 . 1 . . . . 38 ILE CG2 . 6579 1 484 . 1 1 38 38 ILE CD1 C 13 13.644 0.1 . 1 . . . . 38 ILE CD1 . 6579 1 485 . 1 1 38 38 ILE N N 15 118.789 0.1 . 1 . . . . 38 ILE N . 6579 1 486 . 1 1 39 39 LEU H H 1 8.186 0.02 . 1 . . . . 39 LEU HN . 6579 1 487 . 1 1 39 39 LEU HA H 1 4.087 0.02 . 1 . . . . 39 LEU HA . 6579 1 488 . 1 1 39 39 LEU HB2 H 1 1.584 0.02 . 2 . . . . 39 LEU HB2 . 6579 1 489 . 1 1 39 39 LEU HB3 H 1 1.904 0.02 . 2 . . . . 39 LEU HB3 . 6579 1 490 . 1 1 39 39 LEU HG H 1 1.874 0.02 . 1 . . . . 39 LEU HG . 6579 1 491 . 1 1 39 39 LEU HD11 H 1 0.887 0.02 . 1 . . . . 39 LEU HD1 . 6579 1 492 . 1 1 39 39 LEU HD12 H 1 0.887 0.02 . 1 . . . . 39 LEU HD1 . 6579 1 493 . 1 1 39 39 LEU HD13 H 1 0.887 0.02 . 1 . . . . 39 LEU HD1 . 6579 1 494 . 1 1 39 39 LEU HD21 H 1 0.885 0.02 . 1 . . . . 39 LEU HD2 . 6579 1 495 . 1 1 39 39 LEU HD22 H 1 0.885 0.02 . 1 . . . . 39 LEU HD2 . 6579 1 496 . 1 1 39 39 LEU HD23 H 1 0.885 0.02 . 1 . . . . 39 LEU HD2 . 6579 1 497 . 1 1 39 39 LEU C C 13 178.251 0.1 . 1 . . . . 39 LEU C . 6579 1 498 . 1 1 39 39 LEU CA C 13 57.950 0.1 . 1 . . . . 39 LEU CA . 6579 1 499 . 1 1 39 39 LEU CB C 13 41.815 0.1 . 1 . . . . 39 LEU CB . 6579 1 500 . 1 1 39 39 LEU CG C 13 26.795 0.1 . 1 . . . . 39 LEU CG . 6579 1 501 . 1 1 39 39 LEU CD1 C 13 25.285 0.1 . 2 . . . . 39 LEU CD1 . 6579 1 502 . 1 1 39 39 LEU CD2 C 13 24.158 0.1 . 2 . . . . 39 LEU CD2 . 6579 1 503 . 1 1 39 39 LEU N N 15 120.519 0.1 . 1 . . . . 39 LEU N . 6579 1 504 . 1 1 40 40 LYS H H 1 8.030 0.02 . 1 . . . . 40 LYS HN . 6579 1 505 . 1 1 40 40 LYS HA H 1 4.062 0.02 . 1 . . . . 40 LYS HA . 6579 1 506 . 1 1 40 40 LYS HB2 H 1 1.959 0.02 . 1 . . . . 40 LYS HB . 6579 1 507 . 1 1 40 40 LYS HB3 H 1 1.959 0.02 . 1 . . . . 40 LYS HB . 6579 1 508 . 1 1 40 40 LYS HG2 H 1 1.446 0.02 . 2 . . . . 40 LYS HG2 . 6579 1 509 . 1 1 40 40 LYS HG3 H 1 1.618 0.02 . 2 . . . . 40 LYS HG3 . 6579 1 510 . 1 1 40 40 LYS HD2 H 1 1.616 0.02 . 2 . . . . 40 LYS HD2 . 6579 1 511 . 1 1 40 40 LYS HD3 H 1 1.707 0.02 . 2 . . . . 40 LYS HD3 . 6579 1 512 . 1 1 40 40 LYS HE2 H 1 2.937 0.02 . 1 . . . . 40 LYS HE . 6579 1 513 . 1 1 40 40 LYS HE3 H 1 2.937 0.02 . 1 . . . . 40 LYS HE . 6579 1 514 . 1 1 40 40 LYS C C 13 177.871 0.1 . 1 . . . . 40 LYS C . 6579 1 515 . 1 1 40 40 LYS CA C 13 59.070 0.1 . 1 . . . . 40 LYS CA . 6579 1 516 . 1 1 40 40 LYS CB C 13 32.809 0.1 . 1 . . . . 40 LYS CB . 6579 1 517 . 1 1 40 40 LYS CG C 13 25.645 0.1 . 1 . . . . 40 LYS CG . 6579 1 518 . 1 1 40 40 LYS CD C 13 29.410 0.1 . 1 . . . . 40 LYS CD . 6579 1 519 . 1 1 40 40 LYS CE C 13 41.807 0.1 . 1 . . . . 40 LYS CE . 6579 1 520 . 1 1 40 40 LYS N N 15 116.938 0.1 . 1 . . . . 40 LYS N . 6579 1 521 . 1 1 41 41 GLU H H 1 7.970 0.02 . 1 . . . . 41 GLU HN . 6579 1 522 . 1 1 41 41 GLU HA H 1 4.330 0.02 . 1 . . . . 41 GLU HA . 6579 1 523 . 1 1 41 41 GLU HB2 H 1 2.095 0.02 . 2 . . . . 41 GLU HB2 . 6579 1 524 . 1 1 41 41 GLU HB3 H 1 2.195 0.02 . 2 . . . . 41 GLU HB3 . 6579 1 525 . 1 1 41 41 GLU HG2 H 1 2.386 0.02 . 2 . . . . 41 GLU HG2 . 6579 1 526 . 1 1 41 41 GLU HG3 H 1 2.487 0.02 . 2 . . . . 41 GLU HG3 . 6579 1 527 . 1 1 41 41 GLU C C 13 177.258 0.1 . 1 . . . . 41 GLU C . 6579 1 528 . 1 1 41 41 GLU CA C 13 57.176 0.1 . 1 . . . . 41 GLU CA . 6579 1 529 . 1 1 41 41 GLU CB C 13 29.794 0.1 . 1 . . . . 41 GLU CB . 6579 1 530 . 1 1 41 41 GLU CG C 13 35.799 0.1 . 1 . . . . 41 GLU CG . 6579 1 531 . 1 1 41 41 GLU N N 15 116.004 0.1 . 1 . . . . 41 GLU N . 6579 1 532 . 1 1 42 42 THR H H 1 7.709 0.02 . 1 . . . . 42 THR HN . 6579 1 533 . 1 1 42 42 THR HA H 1 4.129 0.02 . 1 . . . . 42 THR HA . 6579 1 534 . 1 1 42 42 THR HB H 1 4.096 0.02 . 1 . . . . 42 THR HB . 6579 1 535 . 1 1 42 42 THR HG21 H 1 1.014 0.02 . 1 . . . . 42 THR HG2 . 6579 1 536 . 1 1 42 42 THR HG22 H 1 1.014 0.02 . 1 . . . . 42 THR HG2 . 6579 1 537 . 1 1 42 42 THR HG23 H 1 1.014 0.02 . 1 . . . . 42 THR HG2 . 6579 1 538 . 1 1 42 42 THR C C 13 174.494 0.1 . 1 . . . . 42 THR C . 6579 1 539 . 1 1 42 42 THR CA C 13 64.321 0.1 . 1 . . . . 42 THR CA . 6579 1 540 . 1 1 42 42 THR CB C 13 69.594 0.1 . 1 . . . . 42 THR CB . 6579 1 541 . 1 1 42 42 THR CG2 C 13 21.529 0.1 . 1 . . . . 42 THR CG2 . 6579 1 542 . 1 1 42 42 THR N N 15 114.130 0.1 . 1 . . . . 42 THR N . 6579 1 543 . 1 1 43 43 GLU H H 1 8.366 0.02 . 1 . . . . 43 GLU HN . 6579 1 544 . 1 1 43 43 GLU HA H 1 4.405 0.02 . 1 . . . . 43 GLU HA . 6579 1 545 . 1 1 43 43 GLU HB2 H 1 2.101 0.02 . 2 . . . . 43 GLU HB2 . 6579 1 546 . 1 1 43 43 GLU HB3 H 1 1.983 0.02 . 2 . . . . 43 GLU HB3 . 6579 1 547 . 1 1 43 43 GLU HG2 H 1 2.296 0.02 . 1 . . . . 43 GLU HG2 . 6579 1 548 . 1 1 43 43 GLU C C 13 176.953 0.1 . 1 . . . . 43 GLU C . 6579 1 549 . 1 1 43 43 GLU CA C 13 56.443 0.1 . 1 . . . . 43 GLU CA . 6579 1 550 . 1 1 43 43 GLU CB C 13 29.415 0.1 . 1 . . . . 43 GLU CB . 6579 1 551 . 1 1 43 43 GLU CG C 13 35.057 0.1 . 1 . . . . 43 GLU CG . 6579 1 552 . 1 1 43 43 GLU N N 15 122.516 0.1 . 1 . . . . 43 GLU N . 6579 1 553 . 1 1 44 44 PHE H H 1 8.371 0.02 . 1 . . . . 44 PHE HN . 6579 1 554 . 1 1 44 44 PHE HA H 1 4.305 0.02 . 1 . . . . 44 PHE HA . 6579 1 555 . 1 1 44 44 PHE HB2 H 1 3.171 0.02 . 1 . . . . 44 PHE HB . 6579 1 556 . 1 1 44 44 PHE HB3 H 1 3.171 0.02 . 1 . . . . 44 PHE HB . 6579 1 557 . 1 1 44 44 PHE HE1 H 1 7.267 0.02 . 1 . . . . 44 PHE HE . 6579 1 558 . 1 1 44 44 PHE HE2 H 1 7.267 0.02 . 1 . . . . 44 PHE HE . 6579 1 559 . 1 1 44 44 PHE C C 13 176.884 0.1 . 1 . . . . 44 PHE C . 6579 1 560 . 1 1 44 44 PHE CA C 13 60.208 0.1 . 1 . . . . 44 PHE CA . 6579 1 561 . 1 1 44 44 PHE CB C 13 38.803 0.1 . 1 . . . . 44 PHE CB . 6579 1 562 . 1 1 44 44 PHE N N 15 121.566 0.1 . 1 . . . . 44 PHE N . 6579 1 563 . 1 1 45 45 LYS H H 1 8.318 0.02 . 1 . . . . 45 LYS HN . 6579 1 564 . 1 1 45 45 LYS HA H 1 4.054 0.02 . 1 . . . . 45 LYS HA . 6579 1 565 . 1 1 45 45 LYS HB2 H 1 1.731 0.02 . 2 . . . . 45 LYS HB2 . 6579 1 566 . 1 1 45 45 LYS HB3 H 1 1.897 0.02 . 2 . . . . 45 LYS HB3 . 6579 1 567 . 1 1 45 45 LYS HG2 H 1 1.452 0.02 . 2 . . . . 45 LYS HG2 . 6579 1 568 . 1 1 45 45 LYS HG3 H 1 1.481 0.02 . 2 . . . . 45 LYS HG3 . 6579 1 569 . 1 1 45 45 LYS HD2 H 1 1.721 0.02 . 1 . . . . 45 LYS HD . 6579 1 570 . 1 1 45 45 LYS HD3 H 1 1.721 0.02 . 1 . . . . 45 LYS HD . 6579 1 571 . 1 1 45 45 LYS HE2 H 1 2.997 0.02 . 1 . . . . 45 LYS HE . 6579 1 572 . 1 1 45 45 LYS HE3 H 1 2.997 0.02 . 1 . . . . 45 LYS HE . 6579 1 573 . 1 1 45 45 LYS C C 13 177.534 0.1 . 1 . . . . 45 LYS C . 6579 1 574 . 1 1 45 45 LYS CA C 13 58.707 0.1 . 1 . . . . 45 LYS CA . 6579 1 575 . 1 1 45 45 LYS CB C 13 32.419 0.1 . 1 . . . . 45 LYS CB . 6579 1 576 . 1 1 45 45 LYS CG C 13 25.285 0.1 . 1 . . . . 45 LYS CG . 6579 1 577 . 1 1 45 45 LYS CD C 13 29.040 0.1 . 1 . . . . 45 LYS CD . 6579 1 578 . 1 1 45 45 LYS CE C 13 41.807 0.1 . 1 . . . . 45 LYS CE . 6579 1 579 . 1 1 45 45 LYS N N 15 116.925 0.1 . 1 . . . . 45 LYS N . 6579 1 580 . 1 1 46 46 LYS H H 1 7.853 0.02 . 1 . . . . 46 LYS HN . 6579 1 581 . 1 1 46 46 LYS HA H 1 4.172 0.02 . 1 . . . . 46 LYS HA . 6579 1 582 . 1 1 46 46 LYS HB2 H 1 1.911 0.02 . 1 . . . . 46 LYS HB . 6579 1 583 . 1 1 46 46 LYS HB3 H 1 1.911 0.02 . 1 . . . . 46 LYS HB . 6579 1 584 . 1 1 46 46 LYS HG2 H 1 1.445 0.02 . 2 . . . . 46 LYS HG2 . 6579 1 585 . 1 1 46 46 LYS HG3 H 1 1.530 0.02 . 2 . . . . 46 LYS HG3 . 6579 1 586 . 1 1 46 46 LYS HD2 H 1 1.736 0.02 . 1 . . . . 46 LYS HD . 6579 1 587 . 1 1 46 46 LYS HD3 H 1 1.736 0.02 . 1 . . . . 46 LYS HD . 6579 1 588 . 1 1 46 46 LYS HE2 H 1 2.971 0.02 . 1 . . . . 46 LYS HE . 6579 1 589 . 1 1 46 46 LYS HE3 H 1 2.971 0.02 . 1 . . . . 46 LYS HE . 6579 1 590 . 1 1 46 46 LYS C C 13 177.368 0.1 . 1 . . . . 46 LYS C . 6579 1 591 . 1 1 46 46 LYS CA C 13 57.919 0.1 . 1 . . . . 46 LYS CA . 6579 1 592 . 1 1 46 46 LYS CB C 13 32.795 0.1 . 1 . . . . 46 LYS CB . 6579 1 593 . 1 1 46 46 LYS CG C 13 25.657 0.1 . 1 . . . . 46 LYS CG . 6579 1 594 . 1 1 46 46 LYS CD C 13 29.040 0.1 . 1 . . . . 46 LYS CD . 6579 1 595 . 1 1 46 46 LYS CE C 13 41.807 0.1 . 1 . . . . 46 LYS CE . 6579 1 596 . 1 1 46 46 LYS N N 15 117.817 0.1 . 1 . . . . 46 LYS N . 6579 1 597 . 1 1 47 47 ILE H H 1 7.675 0.02 . 1 . . . . 47 ILE HN . 6579 1 598 . 1 1 47 47 ILE HA H 1 3.941 0.02 . 1 . . . . 47 ILE HA . 6579 1 599 . 1 1 47 47 ILE HB H 1 1.970 0.02 . 1 . . . . 47 ILE HB . 6579 1 600 . 1 1 47 47 ILE HG12 H 1 1.607 0.02 . 2 . . . . 47 ILE HG12 . 6579 1 601 . 1 1 47 47 ILE HG13 H 1 1.236 0.02 . 2 . . . . 47 ILE HG13 . 6579 1 602 . 1 1 47 47 ILE HG21 H 1 0.914 0.02 . 1 . . . . 47 ILE HG2 . 6579 1 603 . 1 1 47 47 ILE HG22 H 1 0.914 0.02 . 1 . . . . 47 ILE HG2 . 6579 1 604 . 1 1 47 47 ILE HG23 H 1 0.914 0.02 . 1 . . . . 47 ILE HG2 . 6579 1 605 . 1 1 47 47 ILE HD11 H 1 0.857 0.02 . 1 . . . . 47 ILE HD1 . 6579 1 606 . 1 1 47 47 ILE HD12 H 1 0.857 0.02 . 1 . . . . 47 ILE HD1 . 6579 1 607 . 1 1 47 47 ILE HD13 H 1 0.857 0.02 . 1 . . . . 47 ILE HD1 . 6579 1 608 . 1 1 47 47 ILE C C 13 176.386 0.1 . 1 . . . . 47 ILE C . 6579 1 609 . 1 1 47 47 ILE CA C 13 62.832 0.1 . 1 . . . . 47 ILE CA . 6579 1 610 . 1 1 47 47 ILE CB C 13 38.051 0.1 . 1 . . . . 47 ILE CB . 6579 1 611 . 1 1 47 47 ILE CG1 C 13 28.292 0.1 . 1 . . . . 47 ILE CG1 . 6579 1 612 . 1 1 47 47 ILE CG2 C 13 17.774 0.1 . 1 . . . . 47 ILE CG2 . 6579 1 613 . 1 1 47 47 ILE CD1 C 13 13.644 0.1 . 1 . . . . 47 ILE CD1 . 6579 1 614 . 1 1 47 47 ILE N N 15 117.928 0.1 . 1 . . . . 47 ILE N . 6579 1 615 . 1 1 48 48 LYS H H 1 7.996 0.02 . 1 . . . . 48 LYS HN . 6579 1 616 . 1 1 48 48 LYS HA H 1 4.097 0.02 . 1 . . . . 48 LYS HA . 6579 1 617 . 1 1 48 48 LYS HB2 H 1 1.833 0.02 . 2 . . . . 48 LYS HB2 . 6579 1 618 . 1 1 48 48 LYS HB3 H 1 1.803 0.02 . 2 . . . . 48 LYS HB3 . 6579 1 619 . 1 1 48 48 LYS HG2 H 1 1.452 0.02 . 2 . . . . 48 LYS HG2 . 6579 1 620 . 1 1 48 48 LYS HG3 H 1 1.375 0.02 . 2 . . . . 48 LYS HG3 . 6579 1 621 . 1 1 48 48 LYS HD2 H 1 1.685 0.02 . 1 . . . . 48 LYS HD . 6579 1 622 . 1 1 48 48 LYS HD3 H 1 1.685 0.02 . 1 . . . . 48 LYS HD . 6579 1 623 . 1 1 48 48 LYS HE2 H 1 2.941 0.02 . 1 . . . . 48 LYS HE . 6579 1 624 . 1 1 48 48 LYS HE3 H 1 2.941 0.02 . 1 . . . . 48 LYS HE . 6579 1 625 . 1 1 48 48 LYS C C 13 177.633 0.1 . 1 . . . . 48 LYS C . 6579 1 626 . 1 1 48 48 LYS CA C 13 58.331 0.1 . 1 . . . . 48 LYS CA . 6579 1 627 . 1 1 48 48 LYS CB C 13 32.425 0.1 . 1 . . . . 48 LYS CB . 6579 1 628 . 1 1 48 48 LYS CG C 13 25.274 0.1 . 1 . . . . 48 LYS CG . 6579 1 629 . 1 1 48 48 LYS CD C 13 29.407 0.1 . 1 . . . . 48 LYS CD . 6579 1 630 . 1 1 48 48 LYS CE C 13 41.807 0.1 . 1 . . . . 48 LYS CE . 6579 1 631 . 1 1 48 48 LYS N N 15 121.483 0.1 . 1 . . . . 48 LYS N . 6579 1 632 . 1 1 49 49 VAL H H 1 7.786 0.02 . 1 . . . . 49 VAL HN . 6579 1 633 . 1 1 49 49 VAL HA H 1 4.017 0.02 . 1 . . . . 49 VAL HA . 6579 1 634 . 1 1 49 49 VAL HB H 1 2.205 0.02 . 1 . . . . 49 VAL HB . 6579 1 635 . 1 1 49 49 VAL C C 13 176.792 0.1 . 1 . . . . 49 VAL C . 6579 1 636 . 1 1 49 49 VAL CA C 13 63.963 0.1 . 1 . . . . 49 VAL CA . 6579 1 637 . 1 1 49 49 VAL CB C 13 32.115 0.1 . 1 . . . . 49 VAL CB . 6579 1 638 . 1 1 49 49 VAL CG1 C 13 21.154 0.1 . 1 . . . . 49 VAL CG1 . 6579 1 639 . 1 1 49 49 VAL N N 15 116.925 0.1 . 1 . . . . 49 VAL N . 6579 1 640 . 1 1 50 50 LEU H H 1 7.911 0.02 . 1 . . . . 50 LEU HN . 6579 1 641 . 1 1 50 50 LEU HA H 1 4.279 0.02 . 1 . . . . 50 LEU HA . 6579 1 642 . 1 1 50 50 LEU HB2 H 1 1.588 0.02 . 2 . . . . 50 LEU HB2 . 6579 1 643 . 1 1 50 50 LEU HB3 H 1 1.822 0.02 . 2 . . . . 50 LEU HB3 . 6579 1 644 . 1 1 50 50 LEU HG H 1 1.572 0.02 . 1 . . . . 50 LEU HG . 6579 1 645 . 1 1 50 50 LEU HD11 H 1 0.941 0.02 . 1 . . . . 50 LEU HD1 . 6579 1 646 . 1 1 50 50 LEU HD12 H 1 0.941 0.02 . 1 . . . . 50 LEU HD1 . 6579 1 647 . 1 1 50 50 LEU HD13 H 1 0.941 0.02 . 1 . . . . 50 LEU HD1 . 6579 1 648 . 1 1 50 50 LEU HD21 H 1 0.881 0.02 . 1 . . . . 50 LEU HD2 . 6579 1 649 . 1 1 50 50 LEU HD22 H 1 0.881 0.02 . 1 . . . . 50 LEU HD2 . 6579 1 650 . 1 1 50 50 LEU HD23 H 1 0.881 0.02 . 1 . . . . 50 LEU HD2 . 6579 1 651 . 1 1 50 50 LEU C C 13 177.795 0.1 . 1 . . . . 50 LEU C . 6579 1 652 . 1 1 50 50 LEU CA C 13 56.079 0.1 . 1 . . . . 50 LEU CA . 6579 1 653 . 1 1 50 50 LEU CB C 13 42.180 0.1 . 1 . . . . 50 LEU CB . 6579 1 654 . 1 1 50 50 LEU CG C 13 27.534 0.1 . 1 . . . . 50 LEU CG . 6579 1 655 . 1 1 50 50 LEU CD1 C 13 25.285 0.1 . 2 . . . . 50 LEU CD1 . 6579 1 656 . 1 1 50 50 LEU CD2 C 13 23.407 0.1 . 2 . . . . 50 LEU CD2 . 6579 1 657 . 1 1 50 50 LEU N N 15 120.693 0.1 . 1 . . . . 50 LEU N . 6579 1 658 . 1 1 51 51 GLY H H 1 8.234 0.02 . 1 . . . . 51 GLY HN . 6579 1 659 . 1 1 51 51 GLY HA2 H 1 3.870 0.02 . 2 . . . . 51 GLY HA2 . 6579 1 660 . 1 1 51 51 GLY HA3 H 1 4.022 0.02 . 2 . . . . 51 GLY HA3 . 6579 1 661 . 1 1 51 51 GLY C C 13 174.201 0.1 . 1 . . . . 51 GLY C . 6579 1 662 . 1 1 51 51 GLY CA C 13 45.578 0.1 . 1 . . . . 51 GLY CA . 6579 1 663 . 1 1 51 51 GLY N N 15 106.159 0.1 . 1 . . . . 51 GLY N . 6579 1 664 . 1 1 52 52 SER H H 1 8.061 0.02 . 1 . . . . 52 SER HN . 6579 1 665 . 1 1 52 52 SER HA H 1 4.397 0.02 . 1 . . . . 52 SER HA . 6579 1 666 . 1 1 52 52 SER HB2 H 1 3.934 0.02 . 2 . . . . 52 SER HB2 . 6579 1 667 . 1 1 52 52 SER HB3 H 1 3.899 0.02 . 2 . . . . 52 SER HB3 . 6579 1 668 . 1 1 52 52 SER C C 13 175.258 0.1 . 1 . . . . 52 SER C . 6579 1 669 . 1 1 52 52 SER CA C 13 59.109 0.1 . 1 . . . . 52 SER CA . 6579 1 670 . 1 1 52 52 SER CB C 13 63.967 0.1 . 1 . . . . 52 SER CB . 6579 1 671 . 1 1 52 52 SER N N 15 114.998 0.1 . 1 . . . . 52 SER N . 6579 1 672 . 1 1 53 53 GLY H H 1 8.440 0.02 . 1 . . . . 53 GLY HN . 6579 1 673 . 1 1 53 53 GLY HA2 H 1 3.896 0.02 . 1 . . . . 53 GLY HA . 6579 1 674 . 1 1 53 53 GLY HA3 H 1 3.896 0.02 . 1 . . . . 53 GLY HA . 6579 1 675 . 1 1 53 53 GLY C C 13 174.004 0.1 . 1 . . . . 53 GLY C . 6579 1 676 . 1 1 53 53 GLY CA C 13 45.559 0.1 . 1 . . . . 53 GLY CA . 6579 1 677 . 1 1 53 53 GLY N N 15 109.471 0.1 . 1 . . . . 53 GLY N . 6579 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 6579 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $conditions_1 _RDC_list.Spectrometer_frequency_1H 600 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 13 TROSY 1 $sample_1 anisotropic 6579 1 stop_ loop_ _RDC_software.Software_ID _RDC_software.Software_label _RDC_software.Method_ID _RDC_software.Method_label _RDC_software.Entry_ID _RDC_software.RDC_list_ID 2 $NMRView . . 6579 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 1DHNN . 1 1 3 3 ARG H H 1 . . 1 1 3 3 ARG N N 15 . 0.01 . . 1 . . . . . . . . . . . 6579 1 2 1DHNN . 1 1 4 4 HIS H H 1 . . 1 1 4 4 HIS N N 15 . 1.62 . . 1 . . . . . . . . . . . 6579 1 3 1DHNN . 1 1 5 5 ILE H H 1 . . 1 1 5 5 ILE N N 15 . -2.18 . . 1 . . . . . . . . . . . 6579 1 4 1DHNN . 1 1 6 6 VAL H H 1 . . 1 1 6 6 VAL N N 15 . -2.97 . . 1 . . . . . . . . . . . 6579 1 5 1DHNN . 1 1 7 7 ARG H H 1 . . 1 1 7 7 ARG N N 15 . 0.86 . . 1 . . . . . . . . . . . 6579 1 6 1DHNN . 1 1 8 8 LYS H H 1 . . 1 1 8 8 LYS N N 15 . 14.65 . . 1 . . . . . . . . . . . 6579 1 7 1DHNN . 1 1 9 9 ARG H H 1 . . 1 1 9 9 ARG N N 15 . 12.59 . . 1 . . . . . . . . . . . 6579 1 8 1DHNN . 1 1 10 10 THR H H 1 . . 1 1 10 10 THR N N 15 . -13.2 . . 1 . . . . . . . . . . . 6579 1 9 1DHNN . 1 1 12 12 ARG H H 1 . . 1 1 12 12 ARG N N 15 . 21.13 . . 1 . . . . . . . . . . . 6579 1 10 1DHNN . 1 1 13 13 ARG H H 1 . . 1 1 13 13 ARG N N 15 . -5.15 . . 1 . . . . . . . . . . . 6579 1 11 1DHNN . 1 1 14 14 LEU H H 1 . . 1 1 14 14 LEU N N 15 . 8.79 . . 1 . . . . . . . . . . . 6579 1 12 1DHNN . 1 1 15 15 LEU H H 1 . . 1 1 15 15 LEU N N 15 . 19.54 . . 1 . . . . . . . . . . . 6579 1 13 1DHNN . 1 1 16 16 GLN H H 1 . . 1 1 16 16 GLN N N 15 . 12.75 . . 1 . . . . . . . . . . . 6579 1 14 1DHNN . 1 1 17 17 GLU H H 1 . . 1 1 17 17 GLU N N 15 . -15.12 . . 1 . . . . . . . . . . . 6579 1 15 1DHNN . 1 1 18 18 ARG H H 1 . . 1 1 18 18 ARG N N 15 . 3.34 . . 1 . . . . . . . . . . . 6579 1 16 1DHNN . 1 1 19 19 GLU H H 1 . . 1 1 19 19 GLU N N 15 . -1.37 . . 1 . . . . . . . . . . . 6579 1 17 1DHNN . 1 1 20 20 LEU H H 1 . . 1 1 20 20 LEU N N 15 . -5.2 . . 1 . . . . . . . . . . . 6579 1 18 1DHNN . 1 1 21 21 VAL H H 1 . . 1 1 21 21 VAL N N 15 . 18.22 . . 1 . . . . . . . . . . . 6579 1 19 1DHNN . 1 1 22 22 GLU H H 1 . . 1 1 22 22 GLU N N 15 . 16.48 . . 1 . . . . . . . . . . . 6579 1 20 1DHNN . 1 1 24 24 LEU H H 1 . . 1 1 24 24 LEU N N 15 . 9.36 . . 1 . . . . . . . . . . . 6579 1 21 1DHNN . 1 1 25 25 THR H H 1 . . 1 1 25 25 THR N N 15 . 14.17 . . 1 . . . . . . . . . . . 6579 1 22 1DHNN . 1 1 27 27 SER H H 1 . . 1 1 27 27 SER N N 15 . 8.69 . . 1 . . . . . . . . . . . 6579 1 23 1DHNN . 1 1 28 28 GLY H H 1 . . 1 1 28 28 GLY N N 15 . 13.44 . . 1 . . . . . . . . . . . 6579 1 24 1DHNN . 1 1 29 29 GLU H H 1 . . 1 1 29 29 GLU N N 15 . 13.76 . . 1 . . . . . . . . . . . 6579 1 25 1DHNN . 1 1 30 30 ALA H H 1 . . 1 1 30 30 ALA N N 15 . 16.21 . . 1 . . . . . . . . . . . 6579 1 26 1DHNN . 1 1 32 32 ASN H H 1 . . 1 1 32 32 ASN N N 15 . 6.81 . . 1 . . . . . . . . . . . 6579 1 27 1DHNN . 1 1 33 33 GLN H H 1 . . 1 1 33 33 GLN N N 15 . -10.06 . . 1 . . . . . . . . . . . 6579 1 28 1DHNN . 1 1 34 34 ALA H H 1 . . 1 1 34 34 ALA N N 15 . 23.75 . . 1 . . . . . . . . . . . 6579 1 29 1DHNN . 1 1 35 35 LEU H H 1 . . 1 1 35 35 LEU N N 15 . 15.43 . . 1 . . . . . . . . . . . 6579 1 30 1DHNN . 1 1 36 36 LEU H H 1 . . 1 1 36 36 LEU N N 15 . -7.21 . . 1 . . . . . . . . . . . 6579 1 31 1DHNN . 1 1 37 37 ARG H H 1 . . 1 1 37 37 ARG N N 15 . -0.74 . . 1 . . . . . . . . . . . 6579 1 32 1DHNN . 1 1 38 38 ILE H H 1 . . 1 1 38 38 ILE N N 15 . 22.97 . . 1 . . . . . . . . . . . 6579 1 33 1DHNN . 1 1 39 39 LEU H H 1 . . 1 1 39 39 LEU N N 15 . 5.45 . . 1 . . . . . . . . . . . 6579 1 34 1DHNN . 1 1 40 40 LYS H H 1 . . 1 1 40 40 LYS N N 15 . -17.08 . . 1 . . . . . . . . . . . 6579 1 35 1DHNN . 1 1 41 41 GLU H H 1 . . 1 1 41 41 GLU N N 15 . 16.39 . . 1 . . . . . . . . . . . 6579 1 36 1DHNN . 1 1 42 42 THR H H 1 . . 1 1 42 42 THR N N 15 . 16.72 . . 1 . . . . . . . . . . . 6579 1 37 1DHNN . 1 1 43 43 GLU H H 1 . . 1 1 43 43 GLU N N 15 . -1.34 . . 1 . . . . . . . . . . . 6579 1 38 1DHNN . 1 1 44 44 PHE H H 1 . . 1 1 44 44 PHE N N 15 . -10.89 . . 1 . . . . . . . . . . . 6579 1 39 1DHNN . 1 1 45 45 LYS H H 1 . . 1 1 45 45 LYS N N 15 . -16.7 . . 1 . . . . . . . . . . . 6579 1 40 1DHNN . 1 1 46 46 LYS H H 1 . . 1 1 46 46 LYS N N 15 . -7.37 . . 1 . . . . . . . . . . . 6579 1 41 1DHNN . 1 1 47 47 ILE H H 1 . . 1 1 47 47 ILE N N 15 . -12.1 . . 1 . . . . . . . . . . . 6579 1 42 1DHNN . 1 1 48 48 LYS H H 1 . . 1 1 48 48 LYS N N 15 . -18.13 . . 1 . . . . . . . . . . . 6579 1 43 1DHNN . 1 1 49 49 VAL H H 1 . . 1 1 49 49 VAL N N 15 . -12.63 . . 1 . . . . . . . . . . . 6579 1 44 1DHNN . 1 1 50 50 LEU H H 1 . . 1 1 50 50 LEU N N 15 . -7.7 . . 1 . . . . . . . . . . . 6579 1 45 1DHNN . 1 1 51 51 GLY H H 1 . . 1 1 51 51 GLY N N 15 . -11.25 . . 1 . . . . . . . . . . . 6579 1 46 1DHNN . 1 1 52 52 SER H H 1 . . 1 1 52 52 SER N N 15 . -5.8 . . 1 . . . . . . . . . . . 6579 1 47 1DHNN . 1 1 53 53 GLY H H 1 . . 1 1 53 53 GLY N N 15 . 0.36 . . 1 . . . . . . . . . . . 6579 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOE_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOE_list_1 _Heteronucl_NOE_list.Entry_ID 6579 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 500 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type NH _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_1 isotropic 6579 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 2 $NMRView . . 6579 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 3 3 ARG N N 15 . 1 1 3 3 ARG H H 1 0.054467085 0.012931034 . . . . . . . . . . 6579 1 2 . 1 1 4 4 HIS N N 15 . 1 1 4 4 HIS H H 1 0.219545767 0.022711631 . . . . . . . . . . 6579 1 3 . 1 1 5 5 ILE N N 15 . 1 1 5 5 ILE H H 1 0.306917394 0.022162525 . . . . . . . . . . 6579 1 4 . 1 1 6 6 VAL N N 15 . 1 1 6 6 VAL H H 1 0.366990291 0.032038835 . . . . . . . . . . 6579 1 5 . 1 1 7 7 ARG N N 15 . 1 1 7 7 ARG H H 1 0.381761978 0.025502318 . . . . . . . . . . 6579 1 6 . 1 1 8 8 LYS N N 15 . 1 1 8 8 LYS H H 1 0.501762632 0.038777908 . . . . . . . . . . 6579 1 7 . 1 1 9 9 ARG N N 15 . 1 1 9 9 ARG H H 1 0.530685921 0.039711191 . . . . . . . . . . 6579 1 8 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.539225422 0.032770606 . . . . . . . . . . 6579 1 9 . 1 1 12 12 ARG N N 15 . 1 1 12 12 ARG H H 1 0.639666919 0.024981075 . . . . . . . . . . 6579 1 10 . 1 1 13 13 ARG N N 15 . 1 1 13 13 ARG H H 1 0.538461538 0.020979021 . . . . . . . . . . 6579 1 11 . 1 1 14 14 LEU N N 15 . 1 1 14 14 LEU H H 1 0.649734647 0.025018954 . . . . . . . . . . 6579 1 12 . 1 1 15 15 LEU N N 15 . 1 1 15 15 LEU H H 1 0.56629393 0.026357827 . . . . . . . . . . 6579 1 13 . 1 1 16 16 GLN N N 15 . 1 1 16 16 GLN H H 1 0.584615385 0.028205128 . . . . . . . . . . 6579 1 14 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.501236603 0.027205276 . . . . . . . . . . 6579 1 15 . 1 1 18 18 ARG N N 15 . 1 1 18 18 ARG H H 1 0.466942149 0.022727273 . . . . . . . . . . 6579 1 16 . 1 1 20 20 LEU N N 15 . 1 1 20 20 LEU H H 1 0.422764228 0.029810298 . . . . . . . . . . 6579 1 17 . 1 1 21 21 VAL N N 15 . 1 1 21 21 VAL H H 1 0.372699387 0.050613497 . . . . . . . . . . 6579 1 18 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.139141743 0.042912874 . . . . . . . . . . 6579 1 19 . 1 1 25 25 THR N N 15 . 1 1 25 25 THR H H 1 0.171806167 0.072687225 . . . . . . . . . . 6579 1 20 . 1 1 27 27 SER N N 15 . 1 1 27 27 SER H H 1 0.02609132 0.016557953 . . . . . . . . . . 6579 1 21 . 1 1 28 28 GLY N N 15 . 1 1 28 28 GLY H H 1 0.014596734 0.008164275 . . . . . . . . . . 6579 1 22 . 1 1 29 29 GLU N N 15 . 1 1 29 29 GLU H H 1 0.071345029 0.012865497 . . . . . . . . . . 6579 1 23 . 1 1 30 30 ALA N N 15 . 1 1 30 30 ALA H H 1 0.174271229 0.020912548 . . . . . . . . . . 6579 1 24 . 1 1 32 32 ASN N N 15 . 1 1 32 32 ASN H H 1 0.393528184 0.017223382 . . . . . . . . . . 6579 1 25 . 1 1 33 33 GLN N N 15 . 1 1 33 33 GLN H H 1 0.414469994 0.018508132 . . . . . . . . . . 6579 1 26 . 1 1 35 35 LEU N N 15 . 1 1 35 35 LEU H H 1 0.529066353 0.019377569 . . . . . . . . . . 6579 1 27 . 1 1 36 36 LEU N N 15 . 1 1 36 36 LEU H H 1 0.568847352 0.020560748 . . . . . . . . . . 6579 1 28 . 1 1 37 37 ARG N N 15 . 1 1 37 37 ARG H H 1 0.580191334 0.018570625 . . . . . . . . . . 6579 1 29 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.573103448 0.022758621 . . . . . . . . . . 6579 1 30 . 1 1 39 39 LEU N N 15 . 1 1 39 39 LEU H H 1 0.644251627 0.023861171 . . . . . . . . . . 6579 1 31 . 1 1 40 40 LYS N N 15 . 1 1 40 40 LYS H H 1 0.562170309 0.024868124 . . . . . . . . . . 6579 1 32 . 1 1 41 41 GLU N N 15 . 1 1 41 41 GLU H H 1 0.572443182 0.0234375 . . . . . . . . . . 6579 1 33 . 1 1 42 42 THR N N 15 . 1 1 42 42 THR H H 1 0.518425461 0.027638191 . . . . . . . . . . 6579 1 34 . 1 1 43 43 GLU N N 15 . 1 1 43 43 GLU H H 1 0.39360873 0.025720966 . . . . . . . . . . 6579 1 35 . 1 1 44 44 PHE N N 15 . 1 1 44 44 PHE H H 1 0.514751553 0.025621118 . . . . . . . . . . 6579 1 36 . 1 1 45 45 LYS N N 15 . 1 1 45 45 LYS H H 1 0.510580205 0.022525597 . . . . . . . . . . 6579 1 37 . 1 1 46 46 LYS N N 15 . 1 1 46 46 LYS H H 1 0.537825059 0.019503546 . . . . . . . . . . 6579 1 38 . 1 1 47 47 ILE N N 15 . 1 1 47 47 ILE H H 1 0.443616493 0.016393443 . . . . . . . . . . 6579 1 39 . 1 1 48 48 LYS N N 15 . 1 1 48 48 LYS H H 1 0.468267581 0.018867925 . . . . . . . . . . 6579 1 40 . 1 1 49 49 VAL N N 15 . 1 1 49 49 VAL H H 1 0.392712551 0.013360324 . . . . . . . . . . 6579 1 41 . 1 1 50 50 LEU N N 15 . 1 1 50 50 LEU H H 1 0.420844848 0.01302803 . . . . . . . . . . 6579 1 42 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.308121297 0.011502266 . . . . . . . . . . 6579 1 43 . 1 1 52 52 SER N N 15 . 1 1 52 52 SER H H 1 0.238341969 0.007772021 . . . . . . . . . . 6579 1 44 . 1 1 53 53 GLY N N 15 . 1 1 53 53 GLY H H 1 0.118532207 0.008711721 . . . . . . . . . . 6579 1 stop_ save_