data_16496 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16496 _Entry.Title ; PLATELET INTEGRIN ALFAIIB-BETA3 TRANSMEMBRANE- CYTOPLASMIC HETEROCOMPLEX ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-15 _Entry.Accession_date 2009-09-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jun Yang . . . 16496 2 Yan-Qing Ma . . . 16496 3 Richard Page . C. . 16496 4 Saurav Misra . . . 16496 5 Edward Plow . F. . 16496 6 Jun Qin . . . 16496 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16496 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'coiled coil' . 16496 integrin . 16496 NMR . 16496 'protein structure' . 16496 'transmembrane signaling' . 16496 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16496 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 529 16496 '15N chemical shifts' 140 16496 '1H chemical shifts' 860 16496 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 2 . . 2010-06-03 2009-09-15 update BMRB 'edit assembly name' 16496 1 . . 2009-12-18 2009-09-15 original author 'original release' 16496 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KNC 'BMRB Entry Tracking System' 16496 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16496 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19805198 _Citation.Full_citation . _Citation.Title 'Structure of an integrin alphaIIb beta3 transmembrane-cytoplasmic heterocomplex provides insight into integrin activation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 106 _Citation.Journal_issue 42 _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 17729 _Citation.Page_last 17734 _Citation.Year 2009 _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 Jun Yang . . . 16496 1 2 Yan-Qing Ma . . . 16496 1 3 Richard Page . C. . 16496 1 4 Saurav Misra . . . 16496 1 5 Edward Plow . F. . 16496 1 6 Jun Qin . . . 16496 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'coiled coil' 16496 1 integrin 16496 1 NMR 16496 1 'protein structure' 16496 1 'transmembrane signaling' 16496 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16496 _Assembly.ID 1 _Assembly.Name 'integrin alphaIIb beta3 transmembrane-cytoplasmic heterocomplex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 14000 _Assembly.Enzyme_commission_number . _Assembly.Details 'heterodimeric protein' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $AIIbTMCD A . yes native no no . . . 16496 1 2 entity_2 2 $B3TMCD B . yes native no no . . . 16496 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'cell adhesion' 16496 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AIIbTMCD _Entity.Sf_category entity _Entity.Sf_framecode AIIbTMCD _Entity.Entry_ID 16496 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AIIbTMCD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGSEERAIPIWWVLVGVL GGLLLLTILVLAMWKVGFFK RNRPPLEEDDEEGE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 is a non-native remaining after enzymatic cleavage' _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 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'transmembrane and cytoplasmic domains' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5653.673 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16497 . Integrin_aIIb_transmembrane_segment,_b3_complexed . . . . . 72.22 42 100.00 100.00 1.85e-04 . . . . 16496 1 2 no PDB 2K1A . "Bicelle-Embedded Integrin Alpha(Iib) Transmembrane Segment" . . . . . 72.22 42 100.00 100.00 1.85e-04 . . . . 16496 1 3 no PDB 2K9J . "Integrin Alphaiib-Beta3 Transmembrane Complex" . . . . . 72.22 42 100.00 100.00 1.85e-04 . . . . 16496 1 4 no PDB 2KNC . "Platelet Integrin Alfaiib-Beta3 Transmembrane-Cytoplasmic Heterocomplex" . . . . . 100.00 54 100.00 100.00 8.12e-28 . . . . 16496 1 5 no DBJ BAG37735 . "unnamed protein product [Homo sapiens]" . . . . . 90.74 1039 100.00 100.00 5.97e-24 . . . . 16496 1 6 no DBJ BAI46167 . "integrin, alpha 2b [synthetic construct]" . . . . . 90.74 1039 100.00 100.00 5.97e-24 . . . . 16496 1 7 no EMBL CAA29987 . "platelet glycoprotein IIb (648 AA) [Homo sapiens]" . . . . . 90.74 648 100.00 100.00 1.13e-24 . . . . 16496 1 8 no GB AAA52597 . "glycoprotein IIb, partial [Homo sapiens]" . . . . . 90.74 172 100.00 100.00 4.25e-24 . . . . 16496 1 9 no GB AAA53150 . "platelet Glycoprotein IIb (GPIIb), partial [Homo sapiens]" . . . . . 90.74 1039 100.00 100.00 5.69e-24 . . . . 16496 1 10 no GB AAA60114 . "platelet membrane glycoprotein IIb [Homo sapiens]" . . . . . 90.74 1039 100.00 100.00 5.97e-24 . . . . 16496 1 11 no GB AAA65936 . "glycoprotein IIb, partial [Papio cynocephalus]" . . . . . 90.74 604 100.00 100.00 3.90e-25 . . . . 16496 1 12 no GB AAI17444 . "Integrin, alpha 2b (platelet glycoprotein IIb of IIb/IIIa complex, antigen CD41) [Homo sapiens]" . . . . . 90.74 1039 100.00 100.00 5.97e-24 . . . . 16496 1 13 no PRF 1403305A . "protein GPIIb" . . . . . 92.59 649 98.00 98.00 5.13e-23 . . . . 16496 1 14 no REF NP_000410 . "integrin alpha-IIb preproprotein [Homo sapiens]" . . . . . 90.74 1039 100.00 100.00 5.97e-24 . . . . 16496 1 15 no REF XP_001114526 . "PREDICTED: integrin alpha-IIb [Macaca mulatta]" . . . . . 90.74 1039 100.00 100.00 2.20e-24 . . . . 16496 1 16 no REF XP_001150497 . "PREDICTED: integrin alpha-IIb isoform X2 [Pan troglodytes]" . . . . . 90.74 1108 100.00 100.00 3.69e-24 . . . . 16496 1 17 no REF XP_002827479 . "PREDICTED: integrin alpha-IIb [Pongo abelii]" . . . . . 90.74 1039 100.00 100.00 3.75e-24 . . . . 16496 1 18 no REF XP_003282434 . "PREDICTED: LOW QUALITY PROTEIN: integrin alpha-IIb [Nomascus leucogenys]" . . . . . 90.74 1040 97.96 100.00 1.21e-23 . . . . 16496 1 19 no SP P08514 . "RecName: Full=Integrin alpha-IIb; AltName: Full=GPalpha IIb; Short=GPIIb; AltName: Full=Platelet membrane glycoprotein IIb; Alt" . . . . . 90.74 1039 100.00 100.00 5.97e-24 . . . . 16496 1 20 no SP P53711 . "RecName: Full=Integrin alpha-IIb; AltName: Full=GPalpha IIb; Short=GPIIb; AltName: Full=Platelet membrane glycoprotein IIb; Alt" . . . . . 90.74 604 100.00 100.00 3.90e-25 . . . . 16496 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cell adhesion' 16496 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16496 1 2 . ALA . 16496 1 3 . MET . 16496 1 4 . GLY . 16496 1 5 . SER . 16496 1 6 . GLU . 16496 1 7 . GLU . 16496 1 8 . ARG . 16496 1 9 . ALA . 16496 1 10 . ILE . 16496 1 11 . PRO . 16496 1 12 . ILE . 16496 1 13 . TRP . 16496 1 14 . TRP . 16496 1 15 . VAL . 16496 1 16 . LEU . 16496 1 17 . VAL . 16496 1 18 . GLY . 16496 1 19 . VAL . 16496 1 20 . LEU . 16496 1 21 . GLY . 16496 1 22 . GLY . 16496 1 23 . LEU . 16496 1 24 . LEU . 16496 1 25 . LEU . 16496 1 26 . LEU . 16496 1 27 . THR . 16496 1 28 . ILE . 16496 1 29 . LEU . 16496 1 30 . VAL . 16496 1 31 . LEU . 16496 1 32 . ALA . 16496 1 33 . MET . 16496 1 34 . TRP . 16496 1 35 . LYS . 16496 1 36 . VAL . 16496 1 37 . GLY . 16496 1 38 . PHE . 16496 1 39 . PHE . 16496 1 40 . LYS . 16496 1 41 . ARG . 16496 1 42 . ASN . 16496 1 43 . ARG . 16496 1 44 . PRO . 16496 1 45 . PRO . 16496 1 46 . LEU . 16496 1 47 . GLU . 16496 1 48 . GLU . 16496 1 49 . ASP . 16496 1 50 . ASP . 16496 1 51 . GLU . 16496 1 52 . GLU . 16496 1 53 . GLY . 16496 1 54 . GLU . 16496 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16496 1 . ALA 2 2 16496 1 . MET 3 3 16496 1 . GLY 4 4 16496 1 . SER 5 5 16496 1 . GLU 6 6 16496 1 . GLU 7 7 16496 1 . ARG 8 8 16496 1 . ALA 9 9 16496 1 . ILE 10 10 16496 1 . PRO 11 11 16496 1 . ILE 12 12 16496 1 . TRP 13 13 16496 1 . TRP 14 14 16496 1 . VAL 15 15 16496 1 . LEU 16 16 16496 1 . VAL 17 17 16496 1 . GLY 18 18 16496 1 . VAL 19 19 16496 1 . LEU 20 20 16496 1 . GLY 21 21 16496 1 . GLY 22 22 16496 1 . LEU 23 23 16496 1 . LEU 24 24 16496 1 . LEU 25 25 16496 1 . LEU 26 26 16496 1 . THR 27 27 16496 1 . ILE 28 28 16496 1 . LEU 29 29 16496 1 . VAL 30 30 16496 1 . LEU 31 31 16496 1 . ALA 32 32 16496 1 . MET 33 33 16496 1 . TRP 34 34 16496 1 . LYS 35 35 16496 1 . VAL 36 36 16496 1 . GLY 37 37 16496 1 . PHE 38 38 16496 1 . PHE 39 39 16496 1 . LYS 40 40 16496 1 . ARG 41 41 16496 1 . ASN 42 42 16496 1 . ARG 43 43 16496 1 . PRO 44 44 16496 1 . PRO 45 45 16496 1 . LEU 46 46 16496 1 . GLU 47 47 16496 1 . GLU 48 48 16496 1 . ASP 49 49 16496 1 . ASP 50 50 16496 1 . GLU 51 51 16496 1 . GLU 52 52 16496 1 . GLY 53 53 16496 1 . GLU 54 54 16496 1 stop_ save_ save_B3TMCD _Entity.Sf_category entity _Entity.Sf_framecode B3TMCD _Entity.Entry_ID 16496 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name B3TMCD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGSKGPDILVVLLSVMGA ILLIGLAALLIWKLLITIHD RKEFAKFEEERARAKWDTAN NPLYKEATSTFTNITYRGT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 is a non-native remaining after enzymatic cleavage' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 79 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'transmembrane and cytoplasmic domains' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8371.900 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 15552 . beta3_integrin . . . . . 59.49 49 100.00 100.00 5.52e-25 . . . . 16496 2 2 no BMRB 16771 . beta3 . . . . . 64.56 75 98.04 98.04 2.89e-28 . . . . 16496 2 3 no BMRB 17930 . entity . . . . . 59.49 67 97.87 97.87 9.01e-24 . . . . 16496 2 4 no BMRB 17932 . monophosphorylated_(747pY)_beta3_integrin . . . . . 59.49 67 97.87 97.87 9.01e-24 . . . . 16496 2 5 no PDB 1M8O . "Platelet Integrin Alfaiib-Beta3 Cytoplasmic Domain" . . . . . 59.49 47 100.00 100.00 3.83e-25 . . . . 16496 2 6 no PDB 1S4X . "Nmr Structure Of The Integrin B3 Cytoplasmic Domain In Dpc Micelles" . . . . . 59.49 67 100.00 100.00 5.32e-25 . . . . 16496 2 7 no PDB 2KNC . "Platelet Integrin Alfaiib-Beta3 Transmembrane-Cytoplasmic Heterocomplex" . . . . . 100.00 79 100.00 100.00 8.68e-49 . . . . 16496 2 8 no PDB 2KV9 . "Integrin Beta3 Subunit In A Disulfide Linked Alphaiib-Beta3 Cytosolic Domain" . . . . . 64.56 75 98.04 98.04 2.89e-28 . . . . 16496 2 9 no PDB 2LJD . "Monophosphorylated (747py) Beta3 Integrin Cytoplasmic Tail Under Membrane Mimetic Conditions" . . . . . 59.49 67 97.87 97.87 9.01e-24 . . . . 16496 2 10 no PDB 2LJF . "Monophosphorylated (747py) Beta3 Integrin Cytoplasmic Tail Under Aqueous Conditions" . . . . . 59.49 67 97.87 97.87 9.01e-24 . . . . 16496 2 11 no DBJ BAE34283 . "unnamed protein product [Mus musculus]" . . . . . 93.67 787 98.65 98.65 1.43e-41 . . . . 16496 2 12 no DBJ BAG62151 . "unnamed protein product [Homo sapiens]" . . . . . 67.09 751 100.00 100.00 2.98e-26 . . . . 16496 2 13 no DBJ BAJ17755 . "integrin, beta 3 [synthetic construct]" . . . . . 93.67 788 100.00 100.00 3.53e-42 . . . . 16496 2 14 no EMBL CAD29521 . "integrin beta3 subunit [Rattus norvegicus]" . . . . . 93.67 787 98.65 98.65 1.43e-41 . . . . 16496 2 15 no GB AAA35927 . "plate glycoprotein IIIa (GPIIIa) [Homo sapiens]" . . . . . 93.67 788 100.00 100.00 3.53e-42 . . . . 16496 2 16 no GB AAA52589 . "glycoprotein IIIa precursor [Homo sapiens]" . . . . . 93.67 788 100.00 100.00 3.53e-42 . . . . 16496 2 17 no GB AAA52600 . "platelet glycoprotein IIIa, partial [Homo sapiens]" . . . . . 93.67 761 100.00 100.00 2.85e-42 . . . . 16496 2 18 no GB AAA60122 . "glycoprotein IIIa [Homo sapiens]" . . . . . 93.67 788 100.00 100.00 3.53e-42 . . . . 16496 2 19 no GB AAB27096 . "beta 3 integrin, GPIIIA [rats, Peptide Partial, 723 aa]" . . . . . 93.67 723 98.65 98.65 8.46e-42 . . . . 16496 2 20 no REF NP_000203 . "integrin beta-3 precursor [Homo sapiens]" . . . . . 93.67 788 100.00 100.00 3.53e-42 . . . . 16496 2 21 no REF NP_001003162 . "integrin beta-3 precursor [Canis lupus familiaris]" . . . . . 93.67 784 98.65 98.65 1.40e-41 . . . . 16496 2 22 no REF NP_001075271 . "integrin beta-3 precursor [Equus caballus]" . . . . . 93.67 784 98.65 98.65 1.40e-41 . . . . 16496 2 23 no REF NP_001075535 . "integrin beta-3 precursor [Oryctolagus cuniculus]" . . . . . 93.67 788 97.30 97.30 7.91e-41 . . . . 16496 2 24 no REF NP_001193419 . "integrin beta-3 precursor [Bos taurus]" . . . . . 93.67 784 98.65 98.65 1.40e-41 . . . . 16496 2 25 no SP O54890 . "RecName: Full=Integrin beta-3; AltName: Full=Platelet membrane glycoprotein IIIa; Short=GPIIIa; AltName: CD_antigen=CD61; Flags" . . . . . 93.67 787 98.65 98.65 1.43e-41 . . . . 16496 2 26 no SP P05106 . "RecName: Full=Integrin beta-3; AltName: Full=Platelet membrane glycoprotein IIIa; Short=GPIIIa; AltName: CD_antigen=CD61; Flags" . . . . . 93.67 788 100.00 100.00 3.53e-42 . . . . 16496 2 27 no TPG DAA18403 . "TPA: integrin, beta 3 (platelet glycoprotein IIIa, antigen CD61) [Bos taurus]" . . . . . 93.67 784 98.65 98.65 1.40e-41 . . . . 16496 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'cell adhesion' 16496 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16496 2 2 . ALA . 16496 2 3 . MET . 16496 2 4 . GLY . 16496 2 5 . SER . 16496 2 6 . LYS . 16496 2 7 . GLY . 16496 2 8 . PRO . 16496 2 9 . ASP . 16496 2 10 . ILE . 16496 2 11 . LEU . 16496 2 12 . VAL . 16496 2 13 . VAL . 16496 2 14 . LEU . 16496 2 15 . LEU . 16496 2 16 . SER . 16496 2 17 . VAL . 16496 2 18 . MET . 16496 2 19 . GLY . 16496 2 20 . ALA . 16496 2 21 . ILE . 16496 2 22 . LEU . 16496 2 23 . LEU . 16496 2 24 . ILE . 16496 2 25 . GLY . 16496 2 26 . LEU . 16496 2 27 . ALA . 16496 2 28 . ALA . 16496 2 29 . LEU . 16496 2 30 . LEU . 16496 2 31 . ILE . 16496 2 32 . TRP . 16496 2 33 . LYS . 16496 2 34 . LEU . 16496 2 35 . LEU . 16496 2 36 . ILE . 16496 2 37 . THR . 16496 2 38 . ILE . 16496 2 39 . HIS . 16496 2 40 . ASP . 16496 2 41 . ARG . 16496 2 42 . LYS . 16496 2 43 . GLU . 16496 2 44 . PHE . 16496 2 45 . ALA . 16496 2 46 . LYS . 16496 2 47 . PHE . 16496 2 48 . GLU . 16496 2 49 . GLU . 16496 2 50 . GLU . 16496 2 51 . ARG . 16496 2 52 . ALA . 16496 2 53 . ARG . 16496 2 54 . ALA . 16496 2 55 . LYS . 16496 2 56 . TRP . 16496 2 57 . ASP . 16496 2 58 . THR . 16496 2 59 . ALA . 16496 2 60 . ASN . 16496 2 61 . ASN . 16496 2 62 . PRO . 16496 2 63 . LEU . 16496 2 64 . TYR . 16496 2 65 . LYS . 16496 2 66 . GLU . 16496 2 67 . ALA . 16496 2 68 . THR . 16496 2 69 . SER . 16496 2 70 . THR . 16496 2 71 . PHE . 16496 2 72 . THR . 16496 2 73 . ASN . 16496 2 74 . ILE . 16496 2 75 . THR . 16496 2 76 . TYR . 16496 2 77 . ARG . 16496 2 78 . GLY . 16496 2 79 . THR . 16496 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16496 2 . ALA 2 2 16496 2 . MET 3 3 16496 2 . GLY 4 4 16496 2 . SER 5 5 16496 2 . LYS 6 6 16496 2 . GLY 7 7 16496 2 . PRO 8 8 16496 2 . ASP 9 9 16496 2 . ILE 10 10 16496 2 . LEU 11 11 16496 2 . VAL 12 12 16496 2 . VAL 13 13 16496 2 . LEU 14 14 16496 2 . LEU 15 15 16496 2 . SER 16 16 16496 2 . VAL 17 17 16496 2 . MET 18 18 16496 2 . GLY 19 19 16496 2 . ALA 20 20 16496 2 . ILE 21 21 16496 2 . LEU 22 22 16496 2 . LEU 23 23 16496 2 . ILE 24 24 16496 2 . GLY 25 25 16496 2 . LEU 26 26 16496 2 . ALA 27 27 16496 2 . ALA 28 28 16496 2 . LEU 29 29 16496 2 . LEU 30 30 16496 2 . ILE 31 31 16496 2 . TRP 32 32 16496 2 . LYS 33 33 16496 2 . LEU 34 34 16496 2 . LEU 35 35 16496 2 . ILE 36 36 16496 2 . THR 37 37 16496 2 . ILE 38 38 16496 2 . HIS 39 39 16496 2 . ASP 40 40 16496 2 . ARG 41 41 16496 2 . LYS 42 42 16496 2 . GLU 43 43 16496 2 . PHE 44 44 16496 2 . ALA 45 45 16496 2 . LYS 46 46 16496 2 . PHE 47 47 16496 2 . GLU 48 48 16496 2 . GLU 49 49 16496 2 . GLU 50 50 16496 2 . ARG 51 51 16496 2 . ALA 52 52 16496 2 . ARG 53 53 16496 2 . ALA 54 54 16496 2 . LYS 55 55 16496 2 . TRP 56 56 16496 2 . ASP 57 57 16496 2 . THR 58 58 16496 2 . ALA 59 59 16496 2 . ASN 60 60 16496 2 . ASN 61 61 16496 2 . PRO 62 62 16496 2 . LEU 63 63 16496 2 . TYR 64 64 16496 2 . LYS 65 65 16496 2 . GLU 66 66 16496 2 . ALA 67 67 16496 2 . THR 68 68 16496 2 . SER 69 69 16496 2 . THR 70 70 16496 2 . PHE 71 71 16496 2 . THR 72 72 16496 2 . ASN 73 73 16496 2 . ILE 74 74 16496 2 . THR 75 75 16496 2 . TYR 76 76 16496 2 . ARG 77 77 16496 2 . GLY 78 78 16496 2 . THR 79 79 16496 2 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 16496 _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 $AIIbTMCD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16496 1 2 2 $B3TMCD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16496 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 16496 _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 $AIIbTMCD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-DE3 . . . . . . . . . . . . . . . pMAL-C2 . . . . . . 16496 1 2 2 $B3TMCD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21-DE3 . . . . . . . . . . . . . . . pMAL-C2 . . . . . . 16496 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16496 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'also include 0.1%TFA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '50% CD3CN/50% H2O' _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 AIIbTMCD '[U-100% 13C; U-100% 15N]' . . 1 $AIIbTMCD . . 0.2 . . mM . . . . 16496 1 2 B3TMCD 'natural abundance' . . 2 $B3TMCD . . 0.6 . . mM . . . . 16496 1 3 CD3CN 'natural abundance' . . . . . . 50 . . % . . . . 16496 1 4 H2O 'natural abundance' . . . . . . 50 . . % . . . . 16496 1 5 TFA 'natural abundance' . . . . . . 0.1 . . % . . . . 16496 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16496 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'also include 0.1%TFA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '50% CD3CN/50% H2O' _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 B3TMCD '[U-100% 13C; U-100% 15N]' . . 1 $AIIbTMCD . . 0.2 . . mM . . . . 16496 2 2 AIIbTMCD 'natural abundance' . . 2 $B3TMCD . . 0.6 . . mM . . . . 16496 2 3 CD3CN 'natural abundance' . . . . . . 50 . . % . . . . 16496 2 4 H2O 'natural abundance' . . . . . . 50 . . % . . . . 16496 2 5 TFA 'natural abundance' . . . . . . 0.1 . . % . . . . 16496 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16496 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'also include 0.1%TFA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '50% CD3CN/50% H2O' _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 B3TMCD '[U-100% 2H; U-100% 15N]' . . 1 $AIIbTMCD . . 0.4 . . mM . . . . 16496 3 2 AIIbTMCD 'natural abundance' . . 2 $B3TMCD . . 1.2 . . mM . . . . 16496 3 3 CD3CN 'natural abundance' . . . . . . 50 . . % . . . . 16496 3 4 H2O 'natural abundance' . . . . . . 50 . . % . . . . 16496 3 5 TFA 'natural abundance' . . . . . . 0.1 . . % . . . . 16496 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16496 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'also include 0.1%TFA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '50% CD3CN/50% H2O' _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 AIIbTMCD '[U-100% 2H; U-100% 15N]' . . 1 $AIIbTMCD . . 0.4 . . mM . . . . 16496 4 2 B3TMCD 'natural abundance' . . 2 $B3TMCD . . 1.2 . . mM . . . . 16496 4 3 CD3CN 'natural abundance' . . . . . . 50 . . % . . . . 16496 4 4 H2O 'natural abundance' . . . . . . 50 . . % . . . . 16496 4 5 TFA 'natural abundance' . . . . . . 0.1 . . % . . . . 16496 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16496 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH not determined' 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 . . pH 16496 1 pressure 1 . atm 16496 1 temperature 298 . K 16496 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16496 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.15.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16496 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16496 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16496 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16496 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16496 2 stop_ save_ save_PASA _Software.Sf_category software _Software.Sf_framecode PASA _Software.Entry_ID 16496 _Software.ID 3 _Software.Name PASA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Xu, Wang, Yang, Vaynberg, Qin' . . 16496 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16496 3 stop_ save_ save_Procheck _Software.Sf_category software _Software.Sf_framecode Procheck _Software.Entry_ID 16496 _Software.ID 4 _Software.Name Procheck _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho' . . 16496 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure validation' 16496 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16496 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16496 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16496 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16496 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16496 1 2 spectrometer_2 Bruker Avance . 800 . . . 16496 1 3 spectrometer_3 Bruker Avance . 900 . . . 16496 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16496 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 6 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 10 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 11 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 12 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 13 '3D 13C-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 14 '3D 13C-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16496 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16496 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm . external indirect 0.25144952 . . . . . . . . . 16496 1 H 1 water protons . . . . ppm 4.23 internal direct 1.0 . . . . . . . . . 16496 1 N 15 water protons . . . . ppm . external indirect 0.10132905 . . . . . . . . . 16496 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 16496 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 16496 1 2 '3D HNCO' . . . 16496 1 3 '3D HNCA' . . . 16496 1 4 '3D HNCA' . . . 16496 1 5 '3D HNCACB' . . . 16496 1 6 '3D HNCACB' . . . 16496 1 7 '3D CBCA(CO)NH' . . . 16496 1 8 '3D CBCA(CO)NH' . . . 16496 1 9 '3D H(CCO)NH' . . . 16496 1 10 '3D H(CCO)NH' . . . 16496 1 11 '3D C(CO)NH' . . . 16496 1 12 '3D C(CO)NH' . . . 16496 1 13 '3D 13C-15N NOESY' . . . 16496 1 14 '3D 13C-15N NOESY' . . . 16496 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.733 0.030 . 1 . . . . 1 GLY HA2 . 16496 1 2 . 1 1 1 1 GLY C C 13 177.451 0.500 . 1 . . . . 1 GLY C . 16496 1 3 . 1 1 1 1 GLY CA C 13 43.092 0.500 . 1 . . . . 1 GLY CA . 16496 1 4 . 1 1 2 2 ALA H H 1 8.381 0.030 . 1 . . . . 2 ALA H . 16496 1 5 . 1 1 2 2 ALA HA H 1 4.273 0.030 . 1 . . . . 2 ALA HA . 16496 1 6 . 1 1 2 2 ALA HB1 H 1 1.324 0.030 . 1 . . . . 2 ALA HB . 16496 1 7 . 1 1 2 2 ALA HB2 H 1 1.324 0.030 . 1 . . . . 2 ALA HB . 16496 1 8 . 1 1 2 2 ALA HB3 H 1 1.324 0.030 . 1 . . . . 2 ALA HB . 16496 1 9 . 1 1 2 2 ALA C C 13 177.228 0.500 . 1 . . . . 2 ALA C . 16496 1 10 . 1 1 2 2 ALA CA C 13 52.054 0.500 . 1 . . . . 2 ALA CA . 16496 1 11 . 1 1 2 2 ALA CB C 13 19.361 0.500 . 1 . . . . 2 ALA CB . 16496 1 12 . 1 1 2 2 ALA N N 15 122.940 0.250 . 1 . . . . 2 ALA N . 16496 1 13 . 1 1 3 3 MET H H 1 8.156 0.030 . 1 . . . . 3 MET H . 16496 1 14 . 1 1 3 3 MET HA H 1 4.370 0.030 . 1 . . . . 3 MET HA . 16496 1 15 . 1 1 3 3 MET HB2 H 1 2.030 0.030 . 1 . . . . 3 MET HB2 . 16496 1 16 . 1 1 3 3 MET HB3 H 1 1.936 0.030 . 1 . . . . 3 MET HB3 . 16496 1 17 . 1 1 3 3 MET HG2 H 1 2.548 0.030 . 1 . . . . 3 MET HG2 . 16496 1 18 . 1 1 3 3 MET HG3 H 1 2.475 0.030 . 1 . . . . 3 MET HG3 . 16496 1 19 . 1 1 3 3 MET C C 13 176.149 0.500 . 1 . . . . 3 MET C . 16496 1 20 . 1 1 3 3 MET CA C 13 55.634 0.500 . 1 . . . . 3 MET CA . 16496 1 21 . 1 1 3 3 MET CB C 13 31.900 0.500 . 1 . . . . 3 MET CB . 16496 1 22 . 1 1 3 3 MET N N 15 118.080 0.250 . 1 . . . . 3 MET N . 16496 1 23 . 1 1 4 4 GLY H H 1 8.065 0.030 . 1 . . . . 4 GLY H . 16496 1 24 . 1 1 4 4 GLY HA2 H 1 3.923 0.030 . 1 . . . . 4 GLY HA2 . 16496 1 25 . 1 1 4 4 GLY HA3 H 1 3.865 0.030 . 1 . . . . 4 GLY HA3 . 16496 1 26 . 1 1 4 4 GLY C C 13 173.947 0.500 . 1 . . . . 4 GLY C . 16496 1 27 . 1 1 4 4 GLY CA C 13 45.351 0.500 . 1 . . . . 4 GLY CA . 16496 1 28 . 1 1 4 4 GLY N N 15 108.570 0.250 . 1 . . . . 4 GLY N . 16496 1 29 . 1 1 5 5 SER H H 1 7.913 0.030 . 1 . . . . 5 SER H . 16496 1 30 . 1 1 5 5 SER HA H 1 4.311 0.030 . 1 . . . . 5 SER HA . 16496 1 31 . 1 1 5 5 SER HB2 H 1 3.830 0.030 . 1 . . . . 5 SER HB2 . 16496 1 32 . 1 1 5 5 SER HB3 H 1 3.760 0.030 . 1 . . . . 5 SER HB3 . 16496 1 33 . 1 1 5 5 SER C C 13 174.593 0.500 . 1 . . . . 5 SER C . 16496 1 34 . 1 1 5 5 SER CA C 13 58.720 0.500 . 1 . . . . 5 SER CA . 16496 1 35 . 1 1 5 5 SER CB C 13 63.735 0.500 . 1 . . . . 5 SER CB . 16496 1 36 . 1 1 5 5 SER N N 15 114.520 0.250 . 1 . . . . 5 SER N . 16496 1 37 . 1 1 6 6 GLU H H 1 8.081 0.030 . 1 . . . . 6 GLU H . 16496 1 38 . 1 1 6 6 GLU HA H 1 4.253 0.030 . 1 . . . . 6 GLU HA . 16496 1 39 . 1 1 6 6 GLU HB2 H 1 2.065 0.030 . 1 . . . . 6 GLU HB2 . 16496 1 40 . 1 1 6 6 GLU HB3 H 1 1.920 0.030 . 1 . . . . 6 GLU HB3 . 16496 1 41 . 1 1 6 6 GLU HG2 H 1 2.380 0.030 . 1 . . . . 6 GLU HG2 . 16496 1 42 . 1 1 6 6 GLU C C 13 175.594 0.500 . 1 . . . . 6 GLU C . 16496 1 43 . 1 1 6 6 GLU CA C 13 55.997 0.500 . 1 . . . . 6 GLU CA . 16496 1 44 . 1 1 6 6 GLU CB C 13 28.395 0.500 . 1 . . . . 6 GLU CB . 16496 1 45 . 1 1 6 6 GLU CG C 13 31.947 0.500 . 1 . . . . 6 GLU CG . 16496 1 46 . 1 1 6 6 GLU N N 15 120.440 0.250 . 1 . . . . 6 GLU N . 16496 1 47 . 1 1 7 7 GLU H H 1 7.878 0.030 . 1 . . . . 7 GLU H . 16496 1 48 . 1 1 7 7 GLU HA H 1 4.179 0.030 . 1 . . . . 7 GLU HA . 16496 1 49 . 1 1 7 7 GLU HB2 H 1 2.004 0.030 . 1 . . . . 7 GLU HB2 . 16496 1 50 . 1 1 7 7 GLU HB3 H 1 1.900 0.030 . 1 . . . . 7 GLU HB3 . 16496 1 51 . 1 1 7 7 GLU HG2 H 1 2.376 0.030 . 1 . . . . 7 GLU HG2 . 16496 1 52 . 1 1 7 7 GLU C C 13 175.505 0.500 . 1 . . . . 7 GLU C . 16496 1 53 . 1 1 7 7 GLU CA C 13 56.201 0.500 . 1 . . . . 7 GLU CA . 16496 1 54 . 1 1 7 7 GLU CB C 13 28.438 0.500 . 1 . . . . 7 GLU CB . 16496 1 55 . 1 1 7 7 GLU CG C 13 31.483 0.500 . 1 . . . . 7 GLU CG . 16496 1 56 . 1 1 7 7 GLU N N 15 118.820 0.250 . 1 . . . . 7 GLU N . 16496 1 57 . 1 1 8 8 ARG H H 1 7.760 0.030 . 1 . . . . 8 ARG H . 16496 1 58 . 1 1 8 8 ARG HA H 1 4.214 0.030 . 1 . . . . 8 ARG HA . 16496 1 59 . 1 1 8 8 ARG HB2 H 1 1.773 0.030 . 1 . . . . 8 ARG HB2 . 16496 1 60 . 1 1 8 8 ARG HB3 H 1 1.648 0.030 . 1 . . . . 8 ARG HB3 . 16496 1 61 . 1 1 8 8 ARG HD2 H 1 3.097 0.030 . 1 . . . . 8 ARG HD2 . 16496 1 62 . 1 1 8 8 ARG HE H 1 7.117 0.030 . 1 . . . . 8 ARG HE . 16496 1 63 . 1 1 8 8 ARG HG2 H 1 1.540 0.030 . 1 . . . . 8 ARG HG2 . 16496 1 64 . 1 1 8 8 ARG C C 13 174.939 0.500 . 1 . . . . 8 ARG C . 16496 1 65 . 1 1 8 8 ARG CA C 13 55.751 0.500 . 1 . . . . 8 ARG CA . 16496 1 66 . 1 1 8 8 ARG CB C 13 30.692 0.500 . 1 . . . . 8 ARG CB . 16496 1 67 . 1 1 8 8 ARG CD C 13 43.290 0.500 . 1 . . . . 8 ARG CD . 16496 1 68 . 1 1 8 8 ARG CG C 13 27.000 0.500 . 1 . . . . 8 ARG CG . 16496 1 69 . 1 1 8 8 ARG N N 15 119.110 0.250 . 1 . . . . 8 ARG N . 16496 1 70 . 1 1 8 8 ARG NE N 15 110.620 0.250 . 1 . . . . 8 ARG NE . 16496 1 71 . 1 1 9 9 ALA H H 1 7.734 0.030 . 1 . . . . 9 ALA H . 16496 1 72 . 1 1 9 9 ALA HA H 1 4.255 0.030 . 1 . . . . 9 ALA HA . 16496 1 73 . 1 1 9 9 ALA HB1 H 1 1.271 0.030 . 1 . . . . 9 ALA HB . 16496 1 74 . 1 1 9 9 ALA HB2 H 1 1.271 0.030 . 1 . . . . 9 ALA HB . 16496 1 75 . 1 1 9 9 ALA HB3 H 1 1.271 0.030 . 1 . . . . 9 ALA HB . 16496 1 76 . 1 1 9 9 ALA C C 13 176.429 0.500 . 1 . . . . 9 ALA C . 16496 1 77 . 1 1 9 9 ALA CA C 13 51.387 0.500 . 1 . . . . 9 ALA CA . 16496 1 78 . 1 1 9 9 ALA CB C 13 19.261 0.500 . 1 . . . . 9 ALA CB . 16496 1 79 . 1 1 9 9 ALA N N 15 122.290 0.250 . 1 . . . . 9 ALA N . 16496 1 80 . 1 1 10 10 ILE H H 1 7.568 0.030 . 1 . . . . 10 ILE H . 16496 1 81 . 1 1 10 10 ILE HA H 1 4.250 0.030 . 1 . . . . 10 ILE HA . 16496 1 82 . 1 1 10 10 ILE HB H 1 1.792 0.030 . 1 . . . . 10 ILE HB . 16496 1 83 . 1 1 10 10 ILE HD11 H 1 0.785 0.030 . 1 . . . . 10 ILE HD1 . 16496 1 84 . 1 1 10 10 ILE HD12 H 1 0.785 0.030 . 1 . . . . 10 ILE HD1 . 16496 1 85 . 1 1 10 10 ILE HD13 H 1 0.785 0.030 . 1 . . . . 10 ILE HD1 . 16496 1 86 . 1 1 10 10 ILE HG12 H 1 1.486 0.030 . 1 . . . . 10 ILE HG12 . 16496 1 87 . 1 1 10 10 ILE HG13 H 1 1.069 0.030 . 1 . . . . 10 ILE HG13 . 16496 1 88 . 1 1 10 10 ILE HG21 H 1 0.865 0.030 . 1 . . . . 10 ILE HG2 . 16496 1 89 . 1 1 10 10 ILE HG22 H 1 0.865 0.030 . 1 . . . . 10 ILE HG2 . 16496 1 90 . 1 1 10 10 ILE HG23 H 1 0.865 0.030 . 1 . . . . 10 ILE HG2 . 16496 1 91 . 1 1 10 10 ILE C C 13 174.147 0.500 . 1 . . . . 10 ILE C . 16496 1 92 . 1 1 10 10 ILE CA C 13 59.300 0.500 . 1 . . . . 10 ILE CA . 16496 1 93 . 1 1 10 10 ILE CB C 13 38.230 0.500 . 1 . . . . 10 ILE CB . 16496 1 94 . 1 1 10 10 ILE CD1 C 13 12.600 0.500 . 1 . . . . 10 ILE CD1 . 16496 1 95 . 1 1 10 10 ILE CG1 C 13 27.060 0.500 . 1 . . . . 10 ILE CG1 . 16496 1 96 . 1 1 10 10 ILE CG2 C 13 17.200 0.500 . 1 . . . . 10 ILE CG2 . 16496 1 97 . 1 1 10 10 ILE N N 15 118.620 0.250 . 1 . . . . 10 ILE N . 16496 1 98 . 1 1 11 11 PRO HA H 1 4.358 0.030 . 1 . . . . 11 PRO HA . 16496 1 99 . 1 1 11 11 PRO HB2 H 1 2.134 0.030 . 1 . . . . 11 PRO HB2 . 16496 1 100 . 1 1 11 11 PRO HB3 H 1 1.610 0.030 . 1 . . . . 11 PRO HB3 . 16496 1 101 . 1 1 11 11 PRO HD2 H 1 3.685 0.030 . 1 . . . . 11 PRO HD2 . 16496 1 102 . 1 1 11 11 PRO HD3 H 1 3.345 0.030 . 1 . . . . 11 PRO HD3 . 16496 1 103 . 1 1 11 11 PRO HG2 H 1 1.820 0.030 . 1 . . . . 11 PRO HG2 . 16496 1 104 . 1 1 11 11 PRO C C 13 177.406 0.500 . 1 . . . . 11 PRO C . 16496 1 105 . 1 1 11 11 PRO CA C 13 63.399 0.500 . 1 . . . . 11 PRO CA . 16496 1 106 . 1 1 11 11 PRO CB C 13 31.425 0.500 . 1 . . . . 11 PRO CB . 16496 1 107 . 1 1 11 11 PRO CD C 13 50.317 0.500 . 1 . . . . 11 PRO CD . 16496 1 108 . 1 1 11 11 PRO CG C 13 27.480 0.500 . 1 . . . . 11 PRO CG . 16496 1 109 . 1 1 12 12 ILE H H 1 7.801 0.030 . 1 . . . . 12 ILE H . 16496 1 110 . 1 1 12 12 ILE HA H 1 3.859 0.030 . 1 . . . . 12 ILE HA . 16496 1 111 . 1 1 12 12 ILE HB H 1 1.824 0.030 . 1 . . . . 12 ILE HB . 16496 1 112 . 1 1 12 12 ILE HD11 H 1 0.850 0.030 . 1 . . . . 12 ILE HD1 . 16496 1 113 . 1 1 12 12 ILE HD12 H 1 0.850 0.030 . 1 . . . . 12 ILE HD1 . 16496 1 114 . 1 1 12 12 ILE HD13 H 1 0.850 0.030 . 1 . . . . 12 ILE HD1 . 16496 1 115 . 1 1 12 12 ILE HG12 H 1 1.460 0.030 . 1 . . . . 12 ILE HG12 . 16496 1 116 . 1 1 12 12 ILE HG13 H 1 1.200 0.030 . 1 . . . . 12 ILE HG13 . 16496 1 117 . 1 1 12 12 ILE HG21 H 1 0.810 0.030 . 1 . . . . 12 ILE HG2 . 16496 1 118 . 1 1 12 12 ILE HG22 H 1 0.810 0.030 . 1 . . . . 12 ILE HG2 . 16496 1 119 . 1 1 12 12 ILE HG23 H 1 0.810 0.030 . 1 . . . . 12 ILE HG2 . 16496 1 120 . 1 1 12 12 ILE C C 13 176.401 0.500 . 1 . . . . 12 ILE C . 16496 1 121 . 1 1 12 12 ILE CA C 13 62.818 0.500 . 1 . . . . 12 ILE CA . 16496 1 122 . 1 1 12 12 ILE CB C 13 37.880 0.500 . 1 . . . . 12 ILE CB . 16496 1 123 . 1 1 12 12 ILE CD1 C 13 12.973 0.500 . 1 . . . . 12 ILE CD1 . 16496 1 124 . 1 1 12 12 ILE CG1 C 13 28.280 0.500 . 1 . . . . 12 ILE CG1 . 16496 1 125 . 1 1 12 12 ILE CG2 C 13 17.350 0.500 . 1 . . . . 12 ILE CG2 . 16496 1 126 . 1 1 12 12 ILE N N 15 119.010 0.250 . 1 . . . . 12 ILE N . 16496 1 127 . 1 1 13 13 TRP H H 1 7.689 0.030 . 1 . . . . 13 TRP H . 16496 1 128 . 1 1 13 13 TRP HA H 1 4.250 0.030 . 1 . . . . 13 TRP HA . 16496 1 129 . 1 1 13 13 TRP HB2 H 1 3.251 0.030 . 1 . . . . 13 TRP HB2 . 16496 1 130 . 1 1 13 13 TRP HB3 H 1 3.140 0.030 . 1 . . . . 13 TRP HB3 . 16496 1 131 . 1 1 13 13 TRP HD1 H 1 6.855 0.030 . 1 . . . . 13 TRP HD1 . 16496 1 132 . 1 1 13 13 TRP HE1 H 1 9.770 0.030 . 1 . . . . 13 TRP HE1 . 16496 1 133 . 1 1 13 13 TRP HE3 H 1 7.240 0.030 . 1 . . . . 13 TRP HE3 . 16496 1 134 . 1 1 13 13 TRP HH2 H 1 7.030 0.030 . 1 . . . . 13 TRP HH2 . 16496 1 135 . 1 1 13 13 TRP HZ2 H 1 7.320 0.030 . 1 . . . . 13 TRP HZ2 . 16496 1 136 . 1 1 13 13 TRP HZ3 H 1 6.730 0.030 . 1 . . . . 13 TRP HZ3 . 16496 1 137 . 1 1 13 13 TRP C C 13 176.673 0.500 . 1 . . . . 13 TRP C . 16496 1 138 . 1 1 13 13 TRP CA C 13 59.720 0.500 . 1 . . . . 13 TRP CA . 16496 1 139 . 1 1 13 13 TRP CB C 13 28.553 0.500 . 1 . . . . 13 TRP CB . 16496 1 140 . 1 1 13 13 TRP N N 15 119.920 0.250 . 1 . . . . 13 TRP N . 16496 1 141 . 1 1 13 13 TRP NE1 N 15 128.510 0.250 . 1 . . . . 13 TRP NE1 . 16496 1 142 . 1 1 14 14 TRP H H 1 7.317 0.030 . 1 . . . . 14 TRP H . 16496 1 143 . 1 1 14 14 TRP HA H 1 4.146 0.030 . 1 . . . . 14 TRP HA . 16496 1 144 . 1 1 14 14 TRP HB2 H 1 3.130 0.030 . 1 . . . . 14 TRP HB2 . 16496 1 145 . 1 1 14 14 TRP HB3 H 1 3.010 0.030 . 1 . . . . 14 TRP HB3 . 16496 1 146 . 1 1 14 14 TRP HD1 H 1 6.930 0.030 . 1 . . . . 14 TRP HD1 . 16496 1 147 . 1 1 14 14 TRP HE1 H 1 9.835 0.030 . 1 . . . . 14 TRP HE1 . 16496 1 148 . 1 1 14 14 TRP HE3 H 1 7.410 0.030 . 1 . . . . 14 TRP HE3 . 16496 1 149 . 1 1 14 14 TRP HH2 H 1 7.150 0.030 . 1 . . . . 14 TRP HH2 . 16496 1 150 . 1 1 14 14 TRP HZ2 H 1 7.410 0.030 . 1 . . . . 14 TRP HZ2 . 16496 1 151 . 1 1 14 14 TRP HZ3 H 1 7.050 0.030 . 1 . . . . 14 TRP HZ3 . 16496 1 152 . 1 1 14 14 TRP C C 13 177.988 0.500 . 1 . . . . 14 TRP C . 16496 1 153 . 1 1 14 14 TRP CA C 13 59.516 0.500 . 1 . . . . 14 TRP CA . 16496 1 154 . 1 1 14 14 TRP CB C 13 29.018 0.500 . 1 . . . . 14 TRP CB . 16496 1 155 . 1 1 14 14 TRP N N 15 117.720 0.250 . 1 . . . . 14 TRP N . 16496 1 156 . 1 1 14 14 TRP NE1 N 15 127.980 0.250 . 1 . . . . 14 TRP NE1 . 16496 1 157 . 1 1 15 15 VAL H H 1 7.429 0.030 . 1 . . . . 15 VAL H . 16496 1 158 . 1 1 15 15 VAL HA H 1 3.593 0.030 . 1 . . . . 15 VAL HA . 16496 1 159 . 1 1 15 15 VAL HB H 1 2.157 0.030 . 1 . . . . 15 VAL HB . 16496 1 160 . 1 1 15 15 VAL HG11 H 1 0.930 0.030 . 1 . . . . 15 VAL HG1 . 16496 1 161 . 1 1 15 15 VAL HG12 H 1 0.930 0.030 . 1 . . . . 15 VAL HG1 . 16496 1 162 . 1 1 15 15 VAL HG13 H 1 0.930 0.030 . 1 . . . . 15 VAL HG1 . 16496 1 163 . 1 1 15 15 VAL HG21 H 1 0.850 0.030 . 1 . . . . 15 VAL HG2 . 16496 1 164 . 1 1 15 15 VAL HG22 H 1 0.850 0.030 . 1 . . . . 15 VAL HG2 . 16496 1 165 . 1 1 15 15 VAL HG23 H 1 0.850 0.030 . 1 . . . . 15 VAL HG2 . 16496 1 166 . 1 1 15 15 VAL C C 13 177.505 0.500 . 1 . . . . 15 VAL C . 16496 1 167 . 1 1 15 15 VAL CA C 13 65.596 0.500 . 1 . . . . 15 VAL CA . 16496 1 168 . 1 1 15 15 VAL CB C 13 31.515 0.500 . 1 . . . . 15 VAL CB . 16496 1 169 . 1 1 15 15 VAL CG1 C 13 21.980 0.500 . 1 . . . . 15 VAL CG1 . 16496 1 170 . 1 1 15 15 VAL CG2 C 13 20.880 0.500 . 1 . . . . 15 VAL CG2 . 16496 1 171 . 1 1 15 15 VAL N N 15 118.220 0.250 . 1 . . . . 15 VAL N . 16496 1 172 . 1 1 16 16 LEU H H 1 7.825 0.030 . 1 . . . . 16 LEU H . 16496 1 173 . 1 1 16 16 LEU HA H 1 3.948 0.030 . 1 . . . . 16 LEU HA . 16496 1 174 . 1 1 16 16 LEU HB2 H 1 1.718 0.030 . 1 . . . . 16 LEU HB2 . 16496 1 175 . 1 1 16 16 LEU HB3 H 1 1.474 0.030 . 1 . . . . 16 LEU HB3 . 16496 1 176 . 1 1 16 16 LEU HD11 H 1 0.830 0.030 . 1 . . . . 16 LEU HD1 . 16496 1 177 . 1 1 16 16 LEU HD12 H 1 0.830 0.030 . 1 . . . . 16 LEU HD1 . 16496 1 178 . 1 1 16 16 LEU HD13 H 1 0.830 0.030 . 1 . . . . 16 LEU HD1 . 16496 1 179 . 1 1 16 16 LEU HD21 H 1 0.785 0.030 . 1 . . . . 16 LEU HD2 . 16496 1 180 . 1 1 16 16 LEU HD22 H 1 0.785 0.030 . 1 . . . . 16 LEU HD2 . 16496 1 181 . 1 1 16 16 LEU HD23 H 1 0.785 0.030 . 1 . . . . 16 LEU HD2 . 16496 1 182 . 1 1 16 16 LEU C C 13 178.224 0.500 . 1 . . . . 16 LEU C . 16496 1 183 . 1 1 16 16 LEU CA C 13 57.660 0.500 . 1 . . . . 16 LEU CA . 16496 1 184 . 1 1 16 16 LEU CB C 13 41.439 0.500 . 1 . . . . 16 LEU CB . 16496 1 185 . 1 1 16 16 LEU CD1 C 13 24.586 0.500 . 1 . . . . 16 LEU CD1 . 16496 1 186 . 1 1 16 16 LEU CD2 C 13 22.840 0.500 . 1 . . . . 16 LEU CD2 . 16496 1 187 . 1 1 16 16 LEU N N 15 118.670 0.250 . 1 . . . . 16 LEU N . 16496 1 188 . 1 1 17 17 VAL H H 1 7.915 0.030 . 1 . . . . 17 VAL H . 16496 1 189 . 1 1 17 17 VAL HA H 1 3.524 0.030 . 1 . . . . 17 VAL HA . 16496 1 190 . 1 1 17 17 VAL HB H 1 1.912 0.030 . 1 . . . . 17 VAL HB . 16496 1 191 . 1 1 17 17 VAL HG11 H 1 0.678 0.030 . 1 . . . . 17 VAL HG1 . 16496 1 192 . 1 1 17 17 VAL HG12 H 1 0.678 0.030 . 1 . . . . 17 VAL HG1 . 16496 1 193 . 1 1 17 17 VAL HG13 H 1 0.678 0.030 . 1 . . . . 17 VAL HG1 . 16496 1 194 . 1 1 17 17 VAL HG21 H 1 0.770 0.030 . 1 . . . . 17 VAL HG2 . 16496 1 195 . 1 1 17 17 VAL HG22 H 1 0.770 0.030 . 1 . . . . 17 VAL HG2 . 16496 1 196 . 1 1 17 17 VAL HG23 H 1 0.770 0.030 . 1 . . . . 17 VAL HG2 . 16496 1 197 . 1 1 17 17 VAL C C 13 177.798 0.500 . 1 . . . . 17 VAL C . 16496 1 198 . 1 1 17 17 VAL CA C 13 65.910 0.500 . 1 . . . . 17 VAL CA . 16496 1 199 . 1 1 17 17 VAL CB C 13 31.340 0.500 . 1 . . . . 17 VAL CB . 16496 1 200 . 1 1 17 17 VAL CG1 C 13 21.750 0.500 . 1 . . . . 17 VAL CG1 . 16496 1 201 . 1 1 17 17 VAL CG2 C 13 21.052 0.500 . 1 . . . . 17 VAL CG2 . 16496 1 202 . 1 1 17 17 VAL N N 15 116.810 0.250 . 1 . . . . 17 VAL N . 16496 1 203 . 1 1 18 18 GLY H H 1 7.730 0.030 . 1 . . . . 18 GLY H . 16496 1 204 . 1 1 18 18 GLY HA2 H 1 3.730 0.030 . 1 . . . . 18 GLY HA2 . 16496 1 205 . 1 1 18 18 GLY C C 13 175.597 0.500 . 1 . . . . 18 GLY C . 16496 1 206 . 1 1 18 18 GLY CA C 13 46.750 0.500 . 1 . . . . 18 GLY CA . 16496 1 207 . 1 1 18 18 GLY N N 15 107.150 0.250 . 1 . . . . 18 GLY N . 16496 1 208 . 1 1 19 19 VAL H H 1 8.074 0.030 . 1 . . . . 19 VAL H . 16496 1 209 . 1 1 19 19 VAL HA H 1 3.726 0.030 . 1 . . . . 19 VAL HA . 16496 1 210 . 1 1 19 19 VAL HB H 1 2.129 0.030 . 1 . . . . 19 VAL HB . 16496 1 211 . 1 1 19 19 VAL HG11 H 1 0.985 0.030 . 1 . . . . 19 VAL HG1 . 16496 1 212 . 1 1 19 19 VAL HG12 H 1 0.985 0.030 . 1 . . . . 19 VAL HG1 . 16496 1 213 . 1 1 19 19 VAL HG13 H 1 0.985 0.030 . 1 . . . . 19 VAL HG1 . 16496 1 214 . 1 1 19 19 VAL HG21 H 1 0.870 0.030 . 1 . . . . 19 VAL HG2 . 16496 1 215 . 1 1 19 19 VAL HG22 H 1 0.870 0.030 . 1 . . . . 19 VAL HG2 . 16496 1 216 . 1 1 19 19 VAL HG23 H 1 0.870 0.030 . 1 . . . . 19 VAL HG2 . 16496 1 217 . 1 1 19 19 VAL C C 13 177.535 0.500 . 1 . . . . 19 VAL C . 16496 1 218 . 1 1 19 19 VAL CA C 13 65.659 0.500 . 1 . . . . 19 VAL CA . 16496 1 219 . 1 1 19 19 VAL CB C 13 31.295 0.500 . 1 . . . . 19 VAL CB . 16496 1 220 . 1 1 19 19 VAL CG1 C 13 22.050 0.500 . 1 . . . . 19 VAL CG1 . 16496 1 221 . 1 1 19 19 VAL CG2 C 13 20.840 0.500 . 1 . . . . 19 VAL CG2 . 16496 1 222 . 1 1 19 19 VAL N N 15 121.120 0.250 . 1 . . . . 19 VAL N . 16496 1 223 . 1 1 20 20 LEU H H 1 8.220 0.030 . 1 . . . . 20 LEU H . 16496 1 224 . 1 1 20 20 LEU HA H 1 4.037 0.030 . 1 . . . . 20 LEU HA . 16496 1 225 . 1 1 20 20 LEU HB2 H 1 1.765 0.030 . 1 . . . . 20 LEU HB2 . 16496 1 226 . 1 1 20 20 LEU HB3 H 1 1.506 0.030 . 1 . . . . 20 LEU HB3 . 16496 1 227 . 1 1 20 20 LEU HD11 H 1 0.850 0.030 . 1 . . . . 20 LEU HD1 . 16496 1 228 . 1 1 20 20 LEU HD12 H 1 0.850 0.030 . 1 . . . . 20 LEU HD1 . 16496 1 229 . 1 1 20 20 LEU HD13 H 1 0.850 0.030 . 1 . . . . 20 LEU HD1 . 16496 1 230 . 1 1 20 20 LEU HD21 H 1 0.820 0.030 . 1 . . . . 20 LEU HD2 . 16496 1 231 . 1 1 20 20 LEU HD22 H 1 0.820 0.030 . 1 . . . . 20 LEU HD2 . 16496 1 232 . 1 1 20 20 LEU HD23 H 1 0.820 0.030 . 1 . . . . 20 LEU HD2 . 16496 1 233 . 1 1 20 20 LEU C C 13 178.719 0.500 . 1 . . . . 20 LEU C . 16496 1 234 . 1 1 20 20 LEU CA C 13 57.403 0.500 . 1 . . . . 20 LEU CA . 16496 1 235 . 1 1 20 20 LEU CB C 13 41.360 0.500 . 1 . . . . 20 LEU CB . 16496 1 236 . 1 1 20 20 LEU CD1 C 13 24.360 0.500 . 1 . . . . 20 LEU CD1 . 16496 1 237 . 1 1 20 20 LEU CD2 C 13 22.864 0.500 . 1 . . . . 20 LEU CD2 . 16496 1 238 . 1 1 20 20 LEU N N 15 119.210 0.250 . 1 . . . . 20 LEU N . 16496 1 239 . 1 1 21 21 GLY H H 1 8.320 0.030 . 1 . . . . 21 GLY H . 16496 1 240 . 1 1 21 21 GLY HA2 H 1 3.830 0.030 . 1 . . . . 21 GLY HA2 . 16496 1 241 . 1 1 21 21 GLY HA3 H 1 3.710 0.030 . 1 . . . . 21 GLY HA3 . 16496 1 242 . 1 1 21 21 GLY C C 13 175.511 0.500 . 1 . . . . 21 GLY C . 16496 1 243 . 1 1 21 21 GLY CA C 13 46.994 0.500 . 1 . . . . 21 GLY CA . 16496 1 244 . 1 1 21 21 GLY N N 15 105.880 0.250 . 1 . . . . 21 GLY N . 16496 1 245 . 1 1 22 22 GLY H H 1 8.078 0.030 . 1 . . . . 22 GLY H . 16496 1 246 . 1 1 22 22 GLY HA2 H 1 3.770 0.030 . 1 . . . . 22 GLY HA2 . 16496 1 247 . 1 1 22 22 GLY C C 13 175.184 0.500 . 1 . . . . 22 GLY C . 16496 1 248 . 1 1 22 22 GLY CA C 13 46.803 0.500 . 1 . . . . 22 GLY CA . 16496 1 249 . 1 1 22 22 GLY N N 15 108.530 0.250 . 1 . . . . 22 GLY N . 16496 1 250 . 1 1 23 23 LEU H H 1 8.080 0.030 . 1 . . . . 23 LEU H . 16496 1 251 . 1 1 23 23 LEU HA H 1 4.070 0.030 . 1 . . . . 23 LEU HA . 16496 1 252 . 1 1 23 23 LEU HB2 H 1 1.810 0.030 . 1 . . . . 23 LEU HB2 . 16496 1 253 . 1 1 23 23 LEU HB3 H 1 1.570 0.030 . 1 . . . . 23 LEU HB3 . 16496 1 254 . 1 1 23 23 LEU HD11 H 1 0.850 0.030 . 1 . . . . 23 LEU HD1 . 16496 1 255 . 1 1 23 23 LEU HD12 H 1 0.850 0.030 . 1 . . . . 23 LEU HD1 . 16496 1 256 . 1 1 23 23 LEU HD13 H 1 0.850 0.030 . 1 . . . . 23 LEU HD1 . 16496 1 257 . 1 1 23 23 LEU HD21 H 1 0.820 0.030 . 1 . . . . 23 LEU HD2 . 16496 1 258 . 1 1 23 23 LEU HD22 H 1 0.820 0.030 . 1 . . . . 23 LEU HD2 . 16496 1 259 . 1 1 23 23 LEU HD23 H 1 0.820 0.030 . 1 . . . . 23 LEU HD2 . 16496 1 260 . 1 1 23 23 LEU C C 13 179.650 0.500 . 1 . . . . 23 LEU C . 16496 1 261 . 1 1 23 23 LEU CA C 13 57.543 0.500 . 1 . . . . 23 LEU CA . 16496 1 262 . 1 1 23 23 LEU CB C 13 41.523 0.500 . 1 . . . . 23 LEU CB . 16496 1 263 . 1 1 23 23 LEU CD1 C 13 24.520 0.500 . 1 . . . . 23 LEU CD1 . 16496 1 264 . 1 1 23 23 LEU CD2 C 13 23.177 0.500 . 1 . . . . 23 LEU CD2 . 16496 1 265 . 1 1 23 23 LEU N N 15 121.210 0.250 . 1 . . . . 23 LEU N . 16496 1 266 . 1 1 24 24 LEU H H 1 8.220 0.030 . 1 . . . . 24 LEU H . 16496 1 267 . 1 1 24 24 LEU HA H 1 4.040 0.030 . 1 . . . . 24 LEU HA . 16496 1 268 . 1 1 24 24 LEU HB2 H 1 1.760 0.030 . 1 . . . . 24 LEU HB2 . 16496 1 269 . 1 1 24 24 LEU HD11 H 1 0.870 0.030 . 1 . . . . 24 LEU HD1 . 16496 1 270 . 1 1 24 24 LEU HD12 H 1 0.870 0.030 . 1 . . . . 24 LEU HD1 . 16496 1 271 . 1 1 24 24 LEU HD13 H 1 0.870 0.030 . 1 . . . . 24 LEU HD1 . 16496 1 272 . 1 1 24 24 LEU C C 13 178.095 0.500 . 1 . . . . 24 LEU C . 16496 1 273 . 1 1 24 24 LEU CA C 13 58.172 0.500 . 1 . . . . 24 LEU CA . 16496 1 274 . 1 1 24 24 LEU CB C 13 41.154 0.500 . 1 . . . . 24 LEU CB . 16496 1 275 . 1 1 24 24 LEU CD1 C 13 23.890 0.500 . 1 . . . . 24 LEU CD1 . 16496 1 276 . 1 1 24 24 LEU N N 15 121.990 0.250 . 1 . . . . 24 LEU N . 16496 1 277 . 1 1 25 25 LEU H H 1 7.956 0.030 . 1 . . . . 25 LEU H . 16496 1 278 . 1 1 25 25 LEU HA H 1 3.970 0.030 . 1 . . . . 25 LEU HA . 16496 1 279 . 1 1 25 25 LEU HB2 H 1 1.710 0.030 . 1 . . . . 25 LEU HB2 . 16496 1 280 . 1 1 25 25 LEU HD11 H 1 0.869 0.030 . 1 . . . . 25 LEU HD1 . 16496 1 281 . 1 1 25 25 LEU HD12 H 1 0.869 0.030 . 1 . . . . 25 LEU HD1 . 16496 1 282 . 1 1 25 25 LEU HD13 H 1 0.869 0.030 . 1 . . . . 25 LEU HD1 . 16496 1 283 . 1 1 25 25 LEU C C 13 178.339 0.500 . 1 . . . . 25 LEU C . 16496 1 284 . 1 1 25 25 LEU CA C 13 58.129 0.500 . 1 . . . . 25 LEU CA . 16496 1 285 . 1 1 25 25 LEU CB C 13 41.238 0.500 . 1 . . . . 25 LEU CB . 16496 1 286 . 1 1 25 25 LEU CD1 C 13 23.970 0.500 . 1 . . . . 25 LEU CD1 . 16496 1 287 . 1 1 25 25 LEU N N 15 118.770 0.250 . 1 . . . . 25 LEU N . 16496 1 288 . 1 1 26 26 LEU H H 1 8.080 0.030 . 1 . . . . 26 LEU H . 16496 1 289 . 1 1 26 26 LEU HA H 1 3.980 0.030 . 1 . . . . 26 LEU HA . 16496 1 290 . 1 1 26 26 LEU HB2 H 1 1.712 0.030 . 1 . . . . 26 LEU HB2 . 16496 1 291 . 1 1 26 26 LEU HD11 H 1 0.865 0.030 . 1 . . . . 26 LEU HD1 . 16496 1 292 . 1 1 26 26 LEU HD12 H 1 0.865 0.030 . 1 . . . . 26 LEU HD1 . 16496 1 293 . 1 1 26 26 LEU HD13 H 1 0.865 0.030 . 1 . . . . 26 LEU HD1 . 16496 1 294 . 1 1 26 26 LEU C C 13 177.848 0.500 . 1 . . . . 26 LEU C . 16496 1 295 . 1 1 26 26 LEU CA C 13 58.009 0.500 . 1 . . . . 26 LEU CA . 16496 1 296 . 1 1 26 26 LEU CB C 13 41.714 0.500 . 1 . . . . 26 LEU CB . 16496 1 297 . 1 1 26 26 LEU CD1 C 13 24.006 0.500 . 1 . . . . 26 LEU CD1 . 16496 1 298 . 1 1 26 26 LEU N N 15 117.680 0.250 . 1 . . . . 26 LEU N . 16496 1 299 . 1 1 27 27 THR H H 1 7.953 0.030 . 1 . . . . 27 THR H . 16496 1 300 . 1 1 27 27 THR HA H 1 3.693 0.030 . 1 . . . . 27 THR HA . 16496 1 301 . 1 1 27 27 THR HG21 H 1 1.125 0.030 . 1 . . . . 27 THR HG2 . 16496 1 302 . 1 1 27 27 THR HG22 H 1 1.125 0.030 . 1 . . . . 27 THR HG2 . 16496 1 303 . 1 1 27 27 THR HG23 H 1 1.125 0.030 . 1 . . . . 27 THR HG2 . 16496 1 304 . 1 1 27 27 THR C C 13 175.665 0.500 . 1 . . . . 27 THR C . 16496 1 305 . 1 1 27 27 THR CA C 13 67.820 0.500 . 1 . . . . 27 THR CA . 16496 1 306 . 1 1 27 27 THR CB C 13 68.840 0.500 . 1 . . . . 27 THR CB . 16496 1 307 . 1 1 27 27 THR CG2 C 13 21.059 0.500 . 1 . . . . 27 THR CG2 . 16496 1 308 . 1 1 27 27 THR N N 15 114.560 0.250 . 1 . . . . 27 THR N . 16496 1 309 . 1 1 28 28 ILE H H 1 7.993 0.030 . 1 . . . . 28 ILE H . 16496 1 310 . 1 1 28 28 ILE HA H 1 3.590 0.030 . 1 . . . . 28 ILE HA . 16496 1 311 . 1 1 28 28 ILE HB H 1 2.010 0.030 . 1 . . . . 28 ILE HB . 16496 1 312 . 1 1 28 28 ILE HD11 H 1 0.800 0.030 . 1 . . . . 28 ILE HD1 . 16496 1 313 . 1 1 28 28 ILE HD12 H 1 0.800 0.030 . 1 . . . . 28 ILE HD1 . 16496 1 314 . 1 1 28 28 ILE HD13 H 1 0.800 0.030 . 1 . . . . 28 ILE HD1 . 16496 1 315 . 1 1 28 28 ILE HG12 H 1 1.135 0.030 . 1 . . . . 28 ILE HG12 . 16496 1 316 . 1 1 28 28 ILE HG21 H 1 0.874 0.030 . 1 . . . . 28 ILE HG2 . 16496 1 317 . 1 1 28 28 ILE HG22 H 1 0.874 0.030 . 1 . . . . 28 ILE HG2 . 16496 1 318 . 1 1 28 28 ILE HG23 H 1 0.874 0.030 . 1 . . . . 28 ILE HG2 . 16496 1 319 . 1 1 28 28 ILE C C 13 177.566 0.500 . 1 . . . . 28 ILE C . 16496 1 320 . 1 1 28 28 ILE CA C 13 65.229 0.500 . 1 . . . . 28 ILE CA . 16496 1 321 . 1 1 28 28 ILE CB C 13 37.540 0.500 . 1 . . . . 28 ILE CB . 16496 1 322 . 1 1 28 28 ILE CD1 C 13 13.000 0.500 . 1 . . . . 28 ILE CD1 . 16496 1 323 . 1 1 28 28 ILE CG1 C 13 29.069 0.500 . 1 . . . . 28 ILE CG1 . 16496 1 324 . 1 1 28 28 ILE CG2 C 13 16.960 0.500 . 1 . . . . 28 ILE CG2 . 16496 1 325 . 1 1 28 28 ILE N N 15 120.560 0.250 . 1 . . . . 28 ILE N . 16496 1 326 . 1 1 29 29 LEU H H 1 8.067 0.030 . 1 . . . . 29 LEU H . 16496 1 327 . 1 1 29 29 LEU HA H 1 4.035 0.030 . 1 . . . . 29 LEU HA . 16496 1 328 . 1 1 29 29 LEU HB2 H 1 1.807 0.030 . 1 . . . . 29 LEU HB2 . 16496 1 329 . 1 1 29 29 LEU HB3 H 1 1.667 0.030 . 1 . . . . 29 LEU HB3 . 16496 1 330 . 1 1 29 29 LEU HD11 H 1 0.820 0.030 . 1 . . . . 29 LEU HD1 . 16496 1 331 . 1 1 29 29 LEU HD12 H 1 0.820 0.030 . 1 . . . . 29 LEU HD1 . 16496 1 332 . 1 1 29 29 LEU HD13 H 1 0.820 0.030 . 1 . . . . 29 LEU HD1 . 16496 1 333 . 1 1 29 29 LEU C C 13 178.627 0.500 . 1 . . . . 29 LEU C . 16496 1 334 . 1 1 29 29 LEU CA C 13 58.173 0.500 . 1 . . . . 29 LEU CA . 16496 1 335 . 1 1 29 29 LEU CB C 13 41.512 0.500 . 1 . . . . 29 LEU CB . 16496 1 336 . 1 1 29 29 LEU CD1 C 13 23.487 0.500 . 1 . . . . 29 LEU CD1 . 16496 1 337 . 1 1 29 29 LEU N N 15 120.040 0.250 . 1 . . . . 29 LEU N . 16496 1 338 . 1 1 30 30 VAL H H 1 8.393 0.030 . 1 . . . . 30 VAL H . 16496 1 339 . 1 1 30 30 VAL HA H 1 3.610 0.030 . 1 . . . . 30 VAL HA . 16496 1 340 . 1 1 30 30 VAL HB H 1 2.130 0.030 . 1 . . . . 30 VAL HB . 16496 1 341 . 1 1 30 30 VAL HG11 H 1 1.030 0.030 . 1 . . . . 30 VAL HG1 . 16496 1 342 . 1 1 30 30 VAL HG12 H 1 1.030 0.030 . 1 . . . . 30 VAL HG1 . 16496 1 343 . 1 1 30 30 VAL HG13 H 1 1.030 0.030 . 1 . . . . 30 VAL HG1 . 16496 1 344 . 1 1 30 30 VAL HG21 H 1 0.810 0.030 . 1 . . . . 30 VAL HG2 . 16496 1 345 . 1 1 30 30 VAL HG22 H 1 0.810 0.030 . 1 . . . . 30 VAL HG2 . 16496 1 346 . 1 1 30 30 VAL HG23 H 1 0.810 0.030 . 1 . . . . 30 VAL HG2 . 16496 1 347 . 1 1 30 30 VAL C C 13 178.085 0.500 . 1 . . . . 30 VAL C . 16496 1 348 . 1 1 30 30 VAL CA C 13 66.858 0.500 . 1 . . . . 30 VAL CA . 16496 1 349 . 1 1 30 30 VAL CB C 13 31.350 0.500 . 1 . . . . 30 VAL CB . 16496 1 350 . 1 1 30 30 VAL CG1 C 13 22.860 0.500 . 1 . . . . 30 VAL CG1 . 16496 1 351 . 1 1 30 30 VAL CG2 C 13 21.210 0.500 . 1 . . . . 30 VAL CG2 . 16496 1 352 . 1 1 30 30 VAL N N 15 118.880 0.250 . 1 . . . . 30 VAL N . 16496 1 353 . 1 1 31 31 LEU H H 1 8.167 0.030 . 1 . . . . 31 LEU H . 16496 1 354 . 1 1 31 31 LEU HA H 1 4.110 0.030 . 1 . . . . 31 LEU HA . 16496 1 355 . 1 1 31 31 LEU HB2 H 1 1.875 0.030 . 1 . . . . 31 LEU HB2 . 16496 1 356 . 1 1 31 31 LEU HB3 H 1 1.550 0.030 . 1 . . . . 31 LEU HB3 . 16496 1 357 . 1 1 31 31 LEU HD11 H 1 0.850 0.030 . 1 . . . . 31 LEU HD1 . 16496 1 358 . 1 1 31 31 LEU HD12 H 1 0.850 0.030 . 1 . . . . 31 LEU HD1 . 16496 1 359 . 1 1 31 31 LEU HD13 H 1 0.850 0.030 . 1 . . . . 31 LEU HD1 . 16496 1 360 . 1 1 31 31 LEU HD21 H 1 0.830 0.030 . 1 . . . . 31 LEU HD2 . 16496 1 361 . 1 1 31 31 LEU HD22 H 1 0.830 0.030 . 1 . . . . 31 LEU HD2 . 16496 1 362 . 1 1 31 31 LEU HD23 H 1 0.830 0.030 . 1 . . . . 31 LEU HD2 . 16496 1 363 . 1 1 31 31 LEU C C 13 179.044 0.500 . 1 . . . . 31 LEU C . 16496 1 364 . 1 1 31 31 LEU CA C 13 58.011 0.500 . 1 . . . . 31 LEU CA . 16496 1 365 . 1 1 31 31 LEU CB C 13 41.346 0.500 . 1 . . . . 31 LEU CB . 16496 1 366 . 1 1 31 31 LEU CD1 C 13 24.745 0.500 . 1 . . . . 31 LEU CD1 . 16496 1 367 . 1 1 31 31 LEU CD2 C 13 23.053 0.500 . 1 . . . . 31 LEU CD2 . 16496 1 368 . 1 1 31 31 LEU N N 15 119.410 0.250 . 1 . . . . 31 LEU N . 16496 1 369 . 1 1 32 32 ALA H H 1 8.346 0.030 . 1 . . . . 32 ALA H . 16496 1 370 . 1 1 32 32 ALA HA H 1 4.069 0.030 . 1 . . . . 32 ALA HA . 16496 1 371 . 1 1 32 32 ALA HB1 H 1 1.489 0.030 . 1 . . . . 32 ALA HB . 16496 1 372 . 1 1 32 32 ALA HB2 H 1 1.489 0.030 . 1 . . . . 32 ALA HB . 16496 1 373 . 1 1 32 32 ALA HB3 H 1 1.489 0.030 . 1 . . . . 32 ALA HB . 16496 1 374 . 1 1 32 32 ALA C C 13 179.633 0.500 . 1 . . . . 32 ALA C . 16496 1 375 . 1 1 32 32 ALA CA C 13 54.994 0.500 . 1 . . . . 32 ALA CA . 16496 1 376 . 1 1 32 32 ALA CB C 13 17.940 0.500 . 1 . . . . 32 ALA CB . 16496 1 377 . 1 1 32 32 ALA N N 15 121.140 0.250 . 1 . . . . 32 ALA N . 16496 1 378 . 1 1 33 33 MET H H 1 8.220 0.030 . 1 . . . . 33 MET H . 16496 1 379 . 1 1 33 33 MET HA H 1 4.080 0.030 . 1 . . . . 33 MET HA . 16496 1 380 . 1 1 33 33 MET HB2 H 1 1.895 0.030 . 1 . . . . 33 MET HB2 . 16496 1 381 . 1 1 33 33 MET HB3 H 1 1.980 0.030 . 1 . . . . 33 MET HB3 . 16496 1 382 . 1 1 33 33 MET HE1 H 1 1.850 0.030 . 1 . . . . 33 MET HE . 16496 1 383 . 1 1 33 33 MET HE2 H 1 1.850 0.030 . 1 . . . . 33 MET HE . 16496 1 384 . 1 1 33 33 MET HE3 H 1 1.850 0.030 . 1 . . . . 33 MET HE . 16496 1 385 . 1 1 33 33 MET HG2 H 1 2.694 0.030 . 1 . . . . 33 MET HG2 . 16496 1 386 . 1 1 33 33 MET HG3 H 1 2.275 0.030 . 1 . . . . 33 MET HG3 . 16496 1 387 . 1 1 33 33 MET C C 13 178.540 0.500 . 1 . . . . 33 MET C . 16496 1 388 . 1 1 33 33 MET CA C 13 58.212 0.500 . 1 . . . . 33 MET CA . 16496 1 389 . 1 1 33 33 MET CB C 13 32.400 0.500 . 1 . . . . 33 MET CB . 16496 1 390 . 1 1 33 33 MET CE C 13 16.800 0.500 . 1 . . . . 33 MET CE . 16496 1 391 . 1 1 33 33 MET CG C 13 32.500 0.500 . 1 . . . . 33 MET CG . 16496 1 392 . 1 1 33 33 MET N N 15 116.400 0.250 . 1 . . . . 33 MET N . 16496 1 393 . 1 1 34 34 TRP H H 1 8.505 0.030 . 1 . . . . 34 TRP H . 16496 1 394 . 1 1 34 34 TRP HA H 1 4.390 0.030 . 1 . . . . 34 TRP HA . 16496 1 395 . 1 1 34 34 TRP HB2 H 1 3.508 0.030 . 1 . . . . 34 TRP HB2 . 16496 1 396 . 1 1 34 34 TRP HB3 H 1 3.364 0.030 . 1 . . . . 34 TRP HB3 . 16496 1 397 . 1 1 34 34 TRP HD1 H 1 7.200 0.030 . 1 . . . . 34 TRP HD1 . 16496 1 398 . 1 1 34 34 TRP HE1 H 1 9.784 0.030 . 1 . . . . 34 TRP HE1 . 16496 1 399 . 1 1 34 34 TRP HE3 H 1 7.530 0.030 . 1 . . . . 34 TRP HE3 . 16496 1 400 . 1 1 34 34 TRP HH2 H 1 7.010 0.030 . 1 . . . . 34 TRP HH2 . 16496 1 401 . 1 1 34 34 TRP HZ2 H 1 7.300 0.030 . 1 . . . . 34 TRP HZ2 . 16496 1 402 . 1 1 34 34 TRP HZ3 H 1 6.930 0.030 . 1 . . . . 34 TRP HZ3 . 16496 1 403 . 1 1 34 34 TRP C C 13 178.284 0.500 . 1 . . . . 34 TRP C . 16496 1 404 . 1 1 34 34 TRP CA C 13 60.080 0.500 . 1 . . . . 34 TRP CA . 16496 1 405 . 1 1 34 34 TRP CB C 13 28.747 0.500 . 1 . . . . 34 TRP CB . 16496 1 406 . 1 1 34 34 TRP N N 15 120.880 0.250 . 1 . . . . 34 TRP N . 16496 1 407 . 1 1 34 34 TRP NE1 N 15 128.060 0.250 . 1 . . . . 34 TRP NE1 . 16496 1 408 . 1 1 35 35 LYS H H 1 8.240 0.030 . 1 . . . . 35 LYS H . 16496 1 409 . 1 1 35 35 LYS HA H 1 3.840 0.030 . 1 . . . . 35 LYS HA . 16496 1 410 . 1 1 35 35 LYS HB2 H 1 1.980 0.030 . 1 . . . . 35 LYS HB2 . 16496 1 411 . 1 1 35 35 LYS HB3 H 1 1.910 0.030 . 1 . . . . 35 LYS HB3 . 16496 1 412 . 1 1 35 35 LYS HD2 H 1 1.640 0.030 . 1 . . . . 35 LYS HD2 . 16496 1 413 . 1 1 35 35 LYS HE2 H 1 2.880 0.030 . 1 . . . . 35 LYS HE2 . 16496 1 414 . 1 1 35 35 LYS HG2 H 1 1.420 0.030 . 1 . . . . 35 LYS HG2 . 16496 1 415 . 1 1 35 35 LYS HG3 H 1 1.640 0.030 . 1 . . . . 35 LYS HG3 . 16496 1 416 . 1 1 35 35 LYS C C 13 177.817 0.500 . 1 . . . . 35 LYS C . 16496 1 417 . 1 1 35 35 LYS CA C 13 59.234 0.500 . 1 . . . . 35 LYS CA . 16496 1 418 . 1 1 35 35 LYS CB C 13 32.400 0.500 . 1 . . . . 35 LYS CB . 16496 1 419 . 1 1 35 35 LYS CD C 13 29.080 0.500 . 1 . . . . 35 LYS CD . 16496 1 420 . 1 1 35 35 LYS CE C 13 41.832 0.500 . 1 . . . . 35 LYS CE . 16496 1 421 . 1 1 35 35 LYS CG C 13 25.320 0.500 . 1 . . . . 35 LYS CG . 16496 1 422 . 1 1 35 35 LYS N N 15 118.590 0.250 . 1 . . . . 35 LYS N . 16496 1 423 . 1 1 36 36 VAL H H 1 7.780 0.030 . 1 . . . . 36 VAL H . 16496 1 424 . 1 1 36 36 VAL HA H 1 3.973 0.030 . 1 . . . . 36 VAL HA . 16496 1 425 . 1 1 36 36 VAL HB H 1 2.226 0.030 . 1 . . . . 36 VAL HB . 16496 1 426 . 1 1 36 36 VAL HG11 H 1 1.030 0.030 . 1 . . . . 36 VAL HG1 . 16496 1 427 . 1 1 36 36 VAL HG12 H 1 1.030 0.030 . 1 . . . . 36 VAL HG1 . 16496 1 428 . 1 1 36 36 VAL HG13 H 1 1.030 0.030 . 1 . . . . 36 VAL HG1 . 16496 1 429 . 1 1 36 36 VAL HG21 H 1 0.930 0.030 . 1 . . . . 36 VAL HG2 . 16496 1 430 . 1 1 36 36 VAL HG22 H 1 0.930 0.030 . 1 . . . . 36 VAL HG2 . 16496 1 431 . 1 1 36 36 VAL HG23 H 1 0.930 0.030 . 1 . . . . 36 VAL HG2 . 16496 1 432 . 1 1 36 36 VAL C C 13 177.051 0.500 . 1 . . . . 36 VAL C . 16496 1 433 . 1 1 36 36 VAL CA C 13 63.842 0.500 . 1 . . . . 36 VAL CA . 16496 1 434 . 1 1 36 36 VAL CB C 13 31.640 0.500 . 1 . . . . 36 VAL CB . 16496 1 435 . 1 1 36 36 VAL CG1 C 13 21.200 0.500 . 1 . . . . 36 VAL CG1 . 16496 1 436 . 1 1 36 36 VAL CG2 C 13 21.200 0.500 . 1 . . . . 36 VAL CG2 . 16496 1 437 . 1 1 36 36 VAL N N 15 114.330 0.250 . 1 . . . . 36 VAL N . 16496 1 438 . 1 1 37 37 GLY H H 1 7.847 0.030 . 1 . . . . 37 GLY H . 16496 1 439 . 1 1 37 37 GLY HA2 H 1 3.828 0.030 . 1 . . . . 37 GLY HA2 . 16496 1 440 . 1 1 37 37 GLY HA3 H 1 3.733 0.030 . 1 . . . . 37 GLY HA3 . 16496 1 441 . 1 1 37 37 GLY C C 13 175.007 0.500 . 1 . . . . 37 GLY C . 16496 1 442 . 1 1 37 37 GLY CA C 13 46.500 0.500 . 1 . . . . 37 GLY CA . 16496 1 443 . 1 1 37 37 GLY N N 15 107.000 0.250 . 1 . . . . 37 GLY N . 16496 1 444 . 1 1 38 38 PHE H H 1 7.932 0.030 . 1 . . . . 38 PHE H . 16496 1 445 . 1 1 38 38 PHE HA H 1 4.033 0.030 . 1 . . . . 38 PHE HA . 16496 1 446 . 1 1 38 38 PHE HB2 H 1 2.646 0.030 . 1 . . . . 38 PHE HB2 . 16496 1 447 . 1 1 38 38 PHE HD1 H 1 6.750 0.030 . 3 . . . . 38 PHE HD1 . 16496 1 448 . 1 1 38 38 PHE HE1 H 1 7.080 0.030 . 3 . . . . 38 PHE HE1 . 16496 1 449 . 1 1 38 38 PHE C C 13 176.128 0.500 . 1 . . . . 38 PHE C . 16496 1 450 . 1 1 38 38 PHE CA C 13 60.120 0.500 . 1 . . . . 38 PHE CA . 16496 1 451 . 1 1 38 38 PHE CB C 13 39.260 0.500 . 1 . . . . 38 PHE CB . 16496 1 452 . 1 1 38 38 PHE N N 15 119.650 0.250 . 1 . . . . 38 PHE N . 16496 1 453 . 1 1 39 39 PHE H H 1 7.814 0.030 . 1 . . . . 39 PHE H . 16496 1 454 . 1 1 39 39 PHE HA H 1 4.354 0.030 . 1 . . . . 39 PHE HA . 16496 1 455 . 1 1 39 39 PHE HB2 H 1 3.194 0.030 . 1 . . . . 39 PHE HB2 . 16496 1 456 . 1 1 39 39 PHE HB3 H 1 2.914 0.030 . 1 . . . . 39 PHE HB3 . 16496 1 457 . 1 1 39 39 PHE HD1 H 1 7.260 0.030 . 3 . . . . 39 PHE HD1 . 16496 1 458 . 1 1 39 39 PHE HE1 H 1 7.340 0.030 . 3 . . . . 39 PHE HE1 . 16496 1 459 . 1 1 39 39 PHE C C 13 175.740 0.500 . 1 . . . . 39 PHE C . 16496 1 460 . 1 1 39 39 PHE CA C 13 58.724 0.500 . 1 . . . . 39 PHE CA . 16496 1 461 . 1 1 39 39 PHE CB C 13 38.515 0.500 . 1 . . . . 39 PHE CB . 16496 1 462 . 1 1 39 39 PHE N N 15 115.850 0.250 . 1 . . . . 39 PHE N . 16496 1 463 . 1 1 40 40 LYS H H 1 7.660 0.030 . 1 . . . . 40 LYS H . 16496 1 464 . 1 1 40 40 LYS HA H 1 4.110 0.030 . 1 . . . . 40 LYS HA . 16496 1 465 . 1 1 40 40 LYS HB2 H 1 1.710 0.030 . 1 . . . . 40 LYS HB2 . 16496 1 466 . 1 1 40 40 LYS HB3 H 1 1.770 0.030 . 1 . . . . 40 LYS HB3 . 16496 1 467 . 1 1 40 40 LYS HD2 H 1 1.583 0.030 . 1 . . . . 40 LYS HD2 . 16496 1 468 . 1 1 40 40 LYS HE2 H 1 2.868 0.030 . 1 . . . . 40 LYS HE2 . 16496 1 469 . 1 1 40 40 LYS HG2 H 1 1.400 0.030 . 1 . . . . 40 LYS HG2 . 16496 1 470 . 1 1 40 40 LYS HG3 H 1 1.320 0.030 . 1 . . . . 40 LYS HG3 . 16496 1 471 . 1 1 40 40 LYS C C 13 176.285 0.500 . 1 . . . . 40 LYS C . 16496 1 472 . 1 1 40 40 LYS CA C 13 56.857 0.500 . 1 . . . . 40 LYS CA . 16496 1 473 . 1 1 40 40 LYS CB C 13 32.467 0.500 . 1 . . . . 40 LYS CB . 16496 1 474 . 1 1 40 40 LYS CD C 13 28.970 0.500 . 1 . . . . 40 LYS CD . 16496 1 475 . 1 1 40 40 LYS CE C 13 41.856 0.500 . 1 . . . . 40 LYS CE . 16496 1 476 . 1 1 40 40 LYS CG C 13 24.810 0.500 . 1 . . . . 40 LYS CG . 16496 1 477 . 1 1 40 40 LYS N N 15 118.850 0.250 . 1 . . . . 40 LYS N . 16496 1 478 . 1 1 41 41 ARG H H 1 7.707 0.030 . 1 . . . . 41 ARG H . 16496 1 479 . 1 1 41 41 ARG HA H 1 4.183 0.030 . 1 . . . . 41 ARG HA . 16496 1 480 . 1 1 41 41 ARG HB2 H 1 1.737 0.030 . 1 . . . . 41 ARG HB2 . 16496 1 481 . 1 1 41 41 ARG HB3 H 1 1.635 0.030 . 1 . . . . 41 ARG HB3 . 16496 1 482 . 1 1 41 41 ARG HD2 H 1 3.054 0.030 . 1 . . . . 41 ARG HD2 . 16496 1 483 . 1 1 41 41 ARG HE H 1 7.090 0.030 . 1 . . . . 41 ARG HE . 16496 1 484 . 1 1 41 41 ARG HG2 H 1 1.540 0.030 . 1 . . . . 41 ARG HG2 . 16496 1 485 . 1 1 41 41 ARG C C 13 175.412 0.500 . 1 . . . . 41 ARG C . 16496 1 486 . 1 1 41 41 ARG CA C 13 56.109 0.500 . 1 . . . . 41 ARG CA . 16496 1 487 . 1 1 41 41 ARG CB C 13 30.531 0.500 . 1 . . . . 41 ARG CB . 16496 1 488 . 1 1 41 41 ARG CD C 13 43.150 0.500 . 1 . . . . 41 ARG CD . 16496 1 489 . 1 1 41 41 ARG CG C 13 26.498 0.500 . 1 . . . . 41 ARG CG . 16496 1 490 . 1 1 41 41 ARG N N 15 118.540 0.250 . 1 . . . . 41 ARG N . 16496 1 491 . 1 1 41 41 ARG NE N 15 110.620 0.250 . 1 . . . . 41 ARG NE . 16496 1 492 . 1 1 42 42 ASN H H 1 7.850 0.030 . 1 . . . . 42 ASN H . 16496 1 493 . 1 1 42 42 ASN HA H 1 4.568 0.030 . 1 . . . . 42 ASN HA . 16496 1 494 . 1 1 42 42 ASN HB2 H 1 2.601 0.030 . 1 . . . . 42 ASN HB2 . 16496 1 495 . 1 1 42 42 ASN HB3 H 1 2.484 0.030 . 1 . . . . 42 ASN HB3 . 16496 1 496 . 1 1 42 42 ASN HD21 H 1 7.120 0.030 . 1 . . . . 42 ASN HD21 . 16496 1 497 . 1 1 42 42 ASN HD22 H 1 6.480 0.030 . 1 . . . . 42 ASN HD22 . 16496 1 498 . 1 1 42 42 ASN C C 13 173.783 0.500 . 1 . . . . 42 ASN C . 16496 1 499 . 1 1 42 42 ASN CA C 13 53.056 0.500 . 1 . . . . 42 ASN CA . 16496 1 500 . 1 1 42 42 ASN CB C 13 38.930 0.500 . 1 . . . . 42 ASN CB . 16496 1 501 . 1 1 42 42 ASN N N 15 117.750 0.250 . 1 . . . . 42 ASN N . 16496 1 502 . 1 1 42 42 ASN ND2 N 15 111.450 0.250 . 1 . . . . 42 ASN ND2 . 16496 1 503 . 1 1 43 43 ARG H H 1 7.712 0.030 . 1 . . . . 43 ARG H . 16496 1 504 . 1 1 43 43 ARG HA H 1 4.530 0.030 . 1 . . . . 43 ARG HA . 16496 1 505 . 1 1 43 43 ARG HB2 H 1 1.722 0.030 . 1 . . . . 43 ARG HB2 . 16496 1 506 . 1 1 43 43 ARG HB3 H 1 1.590 0.030 . 1 . . . . 43 ARG HB3 . 16496 1 507 . 1 1 43 43 ARG HD2 H 1 3.510 0.030 . 1 . . . . 43 ARG HD2 . 16496 1 508 . 1 1 43 43 ARG HG2 H 1 1.540 0.030 . 1 . . . . 43 ARG HG2 . 16496 1 509 . 1 1 43 43 ARG C C 13 172.976 0.500 . 1 . . . . 43 ARG C . 16496 1 510 . 1 1 43 43 ARG CA C 13 53.480 0.500 . 1 . . . . 43 ARG CA . 16496 1 511 . 1 1 43 43 ARG CB C 13 30.250 0.500 . 1 . . . . 43 ARG CB . 16496 1 512 . 1 1 43 43 ARG CD C 13 50.230 0.500 . 1 . . . . 43 ARG CD . 16496 1 513 . 1 1 43 43 ARG CG C 13 26.400 0.500 . 1 . . . . 43 ARG CG . 16496 1 514 . 1 1 43 43 ARG N N 15 120.050 0.250 . 1 . . . . 43 ARG N . 16496 1 515 . 1 1 45 45 PRO HA H 1 4.314 0.030 . 1 . . . . 45 PRO HA . 16496 1 516 . 1 1 45 45 PRO HB2 H 1 2.176 0.030 . 1 . . . . 45 PRO HB2 . 16496 1 517 . 1 1 45 45 PRO HB3 H 1 1.869 0.030 . 1 . . . . 45 PRO HB3 . 16496 1 518 . 1 1 45 45 PRO HD2 H 1 3.703 0.030 . 1 . . . . 45 PRO HD2 . 16496 1 519 . 1 1 45 45 PRO HD3 H 1 3.584 0.030 . 1 . . . . 45 PRO HD3 . 16496 1 520 . 1 1 45 45 PRO HG2 H 1 1.960 0.030 . 1 . . . . 45 PRO HG2 . 16496 1 521 . 1 1 45 45 PRO C C 13 176.223 0.500 . 1 . . . . 45 PRO C . 16496 1 522 . 1 1 45 45 PRO CA C 13 63.065 0.500 . 1 . . . . 45 PRO CA . 16496 1 523 . 1 1 45 45 PRO CB C 13 31.453 0.500 . 1 . . . . 45 PRO CB . 16496 1 524 . 1 1 45 45 PRO CD C 13 50.140 0.500 . 1 . . . . 45 PRO CD . 16496 1 525 . 1 1 45 45 PRO CG C 13 27.230 0.500 . 1 . . . . 45 PRO CG . 16496 1 526 . 1 1 46 46 LEU H H 1 7.741 0.030 . 1 . . . . 46 LEU H . 16496 1 527 . 1 1 46 46 LEU HA H 1 4.215 0.030 . 1 . . . . 46 LEU HA . 16496 1 528 . 1 1 46 46 LEU HB2 H 1 1.563 0.030 . 1 . . . . 46 LEU HB2 . 16496 1 529 . 1 1 46 46 LEU HB3 H 1 1.514 0.030 . 1 . . . . 46 LEU HB3 . 16496 1 530 . 1 1 46 46 LEU HD11 H 1 0.850 0.030 . 1 . . . . 46 LEU HD1 . 16496 1 531 . 1 1 46 46 LEU HD12 H 1 0.850 0.030 . 1 . . . . 46 LEU HD1 . 16496 1 532 . 1 1 46 46 LEU HD13 H 1 0.850 0.030 . 1 . . . . 46 LEU HD1 . 16496 1 533 . 1 1 46 46 LEU HD21 H 1 0.830 0.030 . 1 . . . . 46 LEU HD2 . 16496 1 534 . 1 1 46 46 LEU HD22 H 1 0.830 0.030 . 1 . . . . 46 LEU HD2 . 16496 1 535 . 1 1 46 46 LEU HD23 H 1 0.830 0.030 . 1 . . . . 46 LEU HD2 . 16496 1 536 . 1 1 46 46 LEU C C 13 176.672 0.500 . 1 . . . . 46 LEU C . 16496 1 537 . 1 1 46 46 LEU CA C 13 55.201 0.500 . 1 . . . . 46 LEU CA . 16496 1 538 . 1 1 46 46 LEU CB C 13 42.146 0.500 . 1 . . . . 46 LEU CB . 16496 1 539 . 1 1 46 46 LEU CD1 C 13 24.742 0.500 . 1 . . . . 46 LEU CD1 . 16496 1 540 . 1 1 46 46 LEU CD2 C 13 23.289 0.500 . 1 . . . . 46 LEU CD2 . 16496 1 541 . 1 1 46 46 LEU N N 15 119.050 0.250 . 1 . . . . 46 LEU N . 16496 1 542 . 1 1 47 47 GLU H H 1 7.823 0.030 . 1 . . . . 47 GLU H . 16496 1 543 . 1 1 47 47 GLU HA H 1 4.253 0.030 . 1 . . . . 47 GLU HA . 16496 1 544 . 1 1 47 47 GLU HB2 H 1 2.040 0.030 . 1 . . . . 47 GLU HB2 . 16496 1 545 . 1 1 47 47 GLU HB3 H 1 1.865 0.030 . 1 . . . . 47 GLU HB3 . 16496 1 546 . 1 1 47 47 GLU HG2 H 1 2.350 0.030 . 1 . . . . 47 GLU HG2 . 16496 1 547 . 1 1 47 47 GLU C C 13 175.476 0.500 . 1 . . . . 47 GLU C . 16496 1 548 . 1 1 47 47 GLU CA C 13 55.997 0.500 . 1 . . . . 47 GLU CA . 16496 1 549 . 1 1 47 47 GLU CB C 13 28.470 0.500 . 1 . . . . 47 GLU CB . 16496 1 550 . 1 1 47 47 GLU CG C 13 31.947 0.500 . 1 . . . . 47 GLU CG . 16496 1 551 . 1 1 47 47 GLU N N 15 118.180 0.250 . 1 . . . . 47 GLU N . 16496 1 552 . 1 1 48 48 GLU H H 1 7.890 0.030 . 1 . . . . 48 GLU H . 16496 1 553 . 1 1 48 48 GLU HA H 1 4.224 0.030 . 1 . . . . 48 GLU HA . 16496 1 554 . 1 1 48 48 GLU HB2 H 1 2.020 0.030 . 1 . . . . 48 GLU HB2 . 16496 1 555 . 1 1 48 48 GLU HB3 H 1 1.890 0.030 . 1 . . . . 48 GLU HB3 . 16496 1 556 . 1 1 48 48 GLU HG2 H 1 2.355 0.030 . 1 . . . . 48 GLU HG2 . 16496 1 557 . 1 1 48 48 GLU C C 13 175.261 0.500 . 1 . . . . 48 GLU C . 16496 1 558 . 1 1 48 48 GLU CA C 13 55.925 0.500 . 1 . . . . 48 GLU CA . 16496 1 559 . 1 1 48 48 GLU CB C 13 28.380 0.500 . 1 . . . . 48 GLU CB . 16496 1 560 . 1 1 48 48 GLU CG C 13 31.836 0.500 . 1 . . . . 48 GLU CG . 16496 1 561 . 1 1 48 48 GLU N N 15 118.880 0.250 . 1 . . . . 48 GLU N . 16496 1 562 . 1 1 49 49 ASP H H 1 8.025 0.030 . 1 . . . . 49 ASP H . 16496 1 563 . 1 1 49 49 ASP HA H 1 4.616 0.030 . 1 . . . . 49 ASP HA . 16496 1 564 . 1 1 49 49 ASP HB2 H 1 2.862 0.030 . 1 . . . . 49 ASP HB2 . 16496 1 565 . 1 1 49 49 ASP HB3 H 1 2.767 0.030 . 1 . . . . 49 ASP HB3 . 16496 1 566 . 1 1 49 49 ASP C C 13 174.358 0.500 . 1 . . . . 49 ASP C . 16496 1 567 . 1 1 49 49 ASP CA C 13 52.896 0.500 . 1 . . . . 49 ASP CA . 16496 1 568 . 1 1 49 49 ASP CB C 13 37.574 0.500 . 1 . . . . 49 ASP CB . 16496 1 569 . 1 1 49 49 ASP N N 15 117.560 0.250 . 1 . . . . 49 ASP N . 16496 1 570 . 1 1 50 50 ASP H H 1 7.985 0.030 . 1 . . . . 50 ASP H . 16496 1 571 . 1 1 50 50 ASP HA H 1 4.636 0.030 . 1 . . . . 50 ASP HA . 16496 1 572 . 1 1 50 50 ASP HB2 H 1 2.850 0.030 . 1 . . . . 50 ASP HB2 . 16496 1 573 . 1 1 50 50 ASP HB3 H 1 2.800 0.030 . 1 . . . . 50 ASP HB3 . 16496 1 574 . 1 1 50 50 ASP C C 13 174.673 0.500 . 1 . . . . 50 ASP C . 16496 1 575 . 1 1 50 50 ASP CA C 13 53.019 0.500 . 1 . . . . 50 ASP CA . 16496 1 576 . 1 1 50 50 ASP CB C 13 37.595 0.500 . 1 . . . . 50 ASP CB . 16496 1 577 . 1 1 50 50 ASP N N 15 117.830 0.250 . 1 . . . . 50 ASP N . 16496 1 578 . 1 1 51 51 GLU H H 1 7.883 0.030 . 1 . . . . 51 GLU H . 16496 1 579 . 1 1 51 51 GLU HA H 1 4.253 0.030 . 1 . . . . 51 GLU HA . 16496 1 580 . 1 1 51 51 GLU HB2 H 1 2.070 0.030 . 1 . . . . 51 GLU HB2 . 16496 1 581 . 1 1 51 51 GLU HB3 H 1 1.908 0.030 . 1 . . . . 51 GLU HB3 . 16496 1 582 . 1 1 51 51 GLU HG2 H 1 2.384 0.030 . 1 . . . . 51 GLU HG2 . 16496 1 583 . 1 1 51 51 GLU C C 13 175.478 0.500 . 1 . . . . 51 GLU C . 16496 1 584 . 1 1 51 51 GLU CA C 13 55.997 0.500 . 1 . . . . 51 GLU CA . 16496 1 585 . 1 1 51 51 GLU CB C 13 28.195 0.500 . 1 . . . . 51 GLU CB . 16496 1 586 . 1 1 51 51 GLU CG C 13 31.947 0.500 . 1 . . . . 51 GLU CG . 16496 1 587 . 1 1 51 51 GLU N N 15 118.500 0.250 . 1 . . . . 51 GLU N . 16496 1 588 . 1 1 52 52 GLU H H 1 7.890 0.030 . 1 . . . . 52 GLU H . 16496 1 589 . 1 1 52 52 GLU HA H 1 4.239 0.030 . 1 . . . . 52 GLU HA . 16496 1 590 . 1 1 52 52 GLU HB2 H 1 2.065 0.030 . 1 . . . . 52 GLU HB2 . 16496 1 591 . 1 1 52 52 GLU HB3 H 1 1.921 0.030 . 1 . . . . 52 GLU HB3 . 16496 1 592 . 1 1 52 52 GLU HG2 H 1 2.395 0.030 . 1 . . . . 52 GLU HG2 . 16496 1 593 . 1 1 52 52 GLU C C 13 175.555 0.500 . 1 . . . . 52 GLU C . 16496 1 594 . 1 1 52 52 GLU CA C 13 55.980 0.500 . 1 . . . . 52 GLU CA . 16496 1 595 . 1 1 52 52 GLU CB C 13 28.227 0.500 . 1 . . . . 52 GLU CB . 16496 1 596 . 1 1 52 52 GLU CG C 13 31.889 0.500 . 1 . . . . 52 GLU CG . 16496 1 597 . 1 1 52 52 GLU N N 15 118.830 0.250 . 1 . . . . 52 GLU N . 16496 1 598 . 1 1 53 53 GLY H H 1 7.970 0.030 . 1 . . . . 53 GLY H . 16496 1 599 . 1 1 53 53 GLY HA2 H 1 3.849 0.030 . 1 . . . . 53 GLY HA2 . 16496 1 600 . 1 1 53 53 GLY C C 13 173.217 0.500 . 1 . . . . 53 GLY C . 16496 1 601 . 1 1 53 53 GLY CA C 13 44.961 0.500 . 1 . . . . 53 GLY CA . 16496 1 602 . 1 1 53 53 GLY N N 15 107.800 0.250 . 1 . . . . 53 GLY N . 16496 1 603 . 1 1 54 54 GLU H H 1 7.757 0.030 . 1 . . . . 54 GLU H . 16496 1 604 . 1 1 54 54 GLU HA H 1 4.386 0.030 . 1 . . . . 54 GLU HA . 16496 1 605 . 1 1 54 54 GLU HB2 H 1 2.118 0.030 . 1 . . . . 54 GLU HB2 . 16496 1 606 . 1 1 54 54 GLU HB3 H 1 1.926 0.030 . 1 . . . . 54 GLU HB3 . 16496 1 607 . 1 1 54 54 GLU HG2 H 1 2.350 0.030 . 1 . . . . 54 GLU HG2 . 16496 1 608 . 1 1 54 54 GLU C C 13 176.759 0.500 . 1 . . . . 54 GLU C . 16496 1 609 . 1 1 54 54 GLU CA C 13 54.310 0.500 . 1 . . . . 54 GLU CA . 16496 1 610 . 1 1 54 54 GLU CB C 13 28.520 0.500 . 1 . . . . 54 GLU CB . 16496 1 611 . 1 1 54 54 GLU N N 15 117.850 0.250 . 1 . . . . 54 GLU N . 16496 1 612 . 2 2 1 1 GLY HA2 H 1 3.729 0.030 . 1 . . . . 1 GLY HA2 . 16496 1 613 . 2 2 1 1 GLY CA C 13 43.093 0.500 . 1 . . . . 1 GLY CA . 16496 1 614 . 2 2 2 2 ALA H H 1 8.405 0.030 . 1 . . . . 2 ALA H . 16496 1 615 . 2 2 2 2 ALA HA H 1 4.268 0.030 . 1 . . . . 2 ALA HA . 16496 1 616 . 2 2 2 2 ALA HB1 H 1 1.329 0.030 . 1 . . . . 2 ALA HB . 16496 1 617 . 2 2 2 2 ALA HB2 H 1 1.329 0.030 . 1 . . . . 2 ALA HB . 16496 1 618 . 2 2 2 2 ALA HB3 H 1 1.329 0.030 . 1 . . . . 2 ALA HB . 16496 1 619 . 2 2 2 2 ALA C C 13 177.271 0.500 . 1 . . . . 2 ALA C . 16496 1 620 . 2 2 2 2 ALA CA C 13 52.137 0.500 . 1 . . . . 2 ALA CA . 16496 1 621 . 2 2 2 2 ALA CB C 13 19.381 0.500 . 1 . . . . 2 ALA CB . 16496 1 622 . 2 2 2 2 ALA N N 15 123.053 0.250 . 1 . . . . 2 ALA N . 16496 1 623 . 2 2 3 3 MET H H 1 8.187 0.030 . 1 . . . . 3 MET H . 16496 1 624 . 2 2 3 3 MET HA H 1 4.367 0.030 . 1 . . . . 3 MET HA . 16496 1 625 . 2 2 3 3 MET HB2 H 1 2.040 0.030 . 1 . . . . 3 MET HB2 . 16496 1 626 . 2 2 3 3 MET HB3 H 1 1.947 0.030 . 1 . . . . 3 MET HB3 . 16496 1 627 . 2 2 3 3 MET HG2 H 1 2.547 0.030 . 1 . . . . 3 MET HG2 . 16496 1 628 . 2 2 3 3 MET HG3 H 1 2.500 0.030 . 1 . . . . 3 MET HG3 . 16496 1 629 . 2 2 3 3 MET C C 13 176.020 0.500 . 1 . . . . 3 MET C . 16496 1 630 . 2 2 3 3 MET CA C 13 55.516 0.500 . 1 . . . . 3 MET CA . 16496 1 631 . 2 2 3 3 MET CB C 13 32.619 0.500 . 1 . . . . 3 MET CB . 16496 1 632 . 2 2 3 3 MET CG C 13 27.183 0.500 . 1 . . . . 3 MET CG . 16496 1 633 . 2 2 3 3 MET N N 15 117.882 0.250 . 1 . . . . 3 MET N . 16496 1 634 . 2 2 4 4 GLY H H 1 8.060 0.030 . 1 . . . . 4 GLY H . 16496 1 635 . 2 2 4 4 GLY HA2 H 1 3.886 0.030 . 1 . . . . 4 GLY HA2 . 16496 1 636 . 2 2 4 4 GLY C C 13 173.727 0.500 . 1 . . . . 4 GLY C . 16496 1 637 . 2 2 4 4 GLY CA C 13 45.160 0.500 . 1 . . . . 4 GLY CA . 16496 1 638 . 2 2 4 4 GLY N N 15 108.464 0.250 . 1 . . . . 4 GLY N . 16496 1 639 . 2 2 5 5 SER H H 1 7.904 0.030 . 1 . . . . 5 SER H . 16496 1 640 . 2 2 5 5 SER HA H 1 4.363 0.030 . 1 . . . . 5 SER HA . 16496 1 641 . 2 2 5 5 SER HB2 H 1 3.830 0.030 . 1 . . . . 5 SER HB2 . 16496 1 642 . 2 2 5 5 SER HB3 H 1 3.770 0.030 . 1 . . . . 5 SER HB3 . 16496 1 643 . 2 2 5 5 SER C C 13 174.048 0.500 . 1 . . . . 5 SER C . 16496 1 644 . 2 2 5 5 SER CA C 13 58.310 0.500 . 1 . . . . 5 SER CA . 16496 1 645 . 2 2 5 5 SER CB C 13 63.909 0.500 . 1 . . . . 5 SER CB . 16496 1 646 . 2 2 5 5 SER N N 15 114.637 0.250 . 1 . . . . 5 SER N . 16496 1 647 . 2 2 6 6 LYS H H 1 8.077 0.030 . 1 . . . . 6 LYS H . 16496 1 648 . 2 2 6 6 LYS HA H 1 4.347 0.030 . 1 . . . . 6 LYS HA . 16496 1 649 . 2 2 6 6 LYS HB2 H 1 1.840 0.030 . 1 . . . . 6 LYS HB2 . 16496 1 650 . 2 2 6 6 LYS HB3 H 1 1.682 0.030 . 1 . . . . 6 LYS HB3 . 16496 1 651 . 2 2 6 6 LYS HD2 H 1 1.595 0.030 . 1 . . . . 6 LYS HD2 . 16496 1 652 . 2 2 6 6 LYS HG2 H 1 1.410 0.030 . 1 . . . . 6 LYS HG2 . 16496 1 653 . 2 2 6 6 LYS HG3 H 1 1.359 0.030 . 1 . . . . 6 LYS HG3 . 16496 1 654 . 2 2 6 6 LYS C C 13 175.977 0.500 . 1 . . . . 6 LYS C . 16496 1 655 . 2 2 6 6 LYS CA C 13 55.915 0.500 . 1 . . . . 6 LYS CA . 16496 1 656 . 2 2 6 6 LYS CB C 13 32.806 0.500 . 1 . . . . 6 LYS CB . 16496 1 657 . 2 2 6 6 LYS CD C 13 28.210 0.500 . 1 . . . . 6 LYS CD . 16496 1 658 . 2 2 6 6 LYS CE C 13 41.946 0.500 . 1 . . . . 6 LYS CE . 16496 1 659 . 2 2 6 6 LYS CG C 13 24.020 0.500 . 1 . . . . 6 LYS CG . 16496 1 660 . 2 2 6 6 LYS N N 15 121.364 0.250 . 1 . . . . 6 LYS N . 16496 1 661 . 2 2 7 7 GLY H H 1 7.911 0.030 . 1 . . . . 7 GLY H . 16496 1 662 . 2 2 7 7 GLY HA2 H 1 3.980 0.030 . 1 . . . . 7 GLY HA2 . 16496 1 663 . 2 2 7 7 GLY C C 13 179.434 0.500 . 1 . . . . 7 GLY C . 16496 1 664 . 2 2 7 7 GLY CA C 13 44.920 0.500 . 1 . . . . 7 GLY CA . 16496 1 665 . 2 2 7 7 GLY N N 15 107.699 0.250 . 1 . . . . 7 GLY N . 16496 1 666 . 2 2 8 8 PRO HA H 1 4.322 0.030 . 1 . . . . 8 PRO HA . 16496 1 667 . 2 2 8 8 PRO HB2 H 1 2.173 0.030 . 1 . . . . 8 PRO HB2 . 16496 1 668 . 2 2 8 8 PRO HD2 H 1 3.562 0.030 . 1 . . . . 8 PRO HD2 . 16496 1 669 . 2 2 8 8 PRO HD3 H 1 3.515 0.030 . 1 . . . . 8 PRO HD3 . 16496 1 670 . 2 2 8 8 PRO HG2 H 1 1.930 0.030 . 1 . . . . 8 PRO HG2 . 16496 1 671 . 2 2 8 8 PRO HG3 H 1 1.830 0.030 . 1 . . . . 8 PRO HG3 . 16496 1 672 . 2 2 8 8 PRO C C 13 176.268 0.500 . 1 . . . . 8 PRO C . 16496 1 673 . 2 2 8 8 PRO CA C 13 63.066 0.500 . 1 . . . . 8 PRO CA . 16496 1 674 . 2 2 8 8 PRO CB C 13 31.880 0.500 . 1 . . . . 8 PRO CB . 16496 1 675 . 2 2 8 8 PRO CD C 13 49.439 0.500 . 1 . . . . 8 PRO CD . 16496 1 676 . 2 2 8 8 PRO CG C 13 27.603 0.500 . 1 . . . . 8 PRO CG . 16496 1 677 . 2 2 9 9 ASP H H 1 8.013 0.030 . 1 . . . . 9 ASP H . 16496 1 678 . 2 2 9 9 ASP HA H 1 4.594 0.030 . 1 . . . . 9 ASP HA . 16496 1 679 . 2 2 9 9 ASP HB2 H 1 2.882 0.030 . 1 . . . . 9 ASP HB2 . 16496 1 680 . 2 2 9 9 ASP C C 13 175.726 0.500 . 1 . . . . 9 ASP C . 16496 1 681 . 2 2 9 9 ASP CA C 13 53.319 0.500 . 1 . . . . 9 ASP CA . 16496 1 682 . 2 2 9 9 ASP CB C 13 37.456 0.500 . 1 . . . . 9 ASP CB . 16496 1 683 . 2 2 9 9 ASP N N 15 117.428 0.250 . 1 . . . . 9 ASP N . 16496 1 684 . 2 2 10 10 ILE H H 1 7.949 0.030 . 1 . . . . 10 ILE H . 16496 1 685 . 2 2 10 10 ILE HA H 1 3.840 0.030 . 1 . . . . 10 ILE HA . 16496 1 686 . 2 2 10 10 ILE HB H 1 1.875 0.030 . 1 . . . . 10 ILE HB . 16496 1 687 . 2 2 10 10 ILE HG12 H 1 1.480 0.030 . 1 . . . . 10 ILE HG12 . 16496 1 688 . 2 2 10 10 ILE HG13 H 1 1.231 0.030 . 1 . . . . 10 ILE HG13 . 16496 1 689 . 2 2 10 10 ILE HG21 H 1 0.890 0.030 . 1 . . . . 10 ILE HG2 . 16496 1 690 . 2 2 10 10 ILE HG22 H 1 0.890 0.030 . 1 . . . . 10 ILE HG2 . 16496 1 691 . 2 2 10 10 ILE HG23 H 1 0.890 0.030 . 1 . . . . 10 ILE HG2 . 16496 1 692 . 2 2 10 10 ILE C C 13 176.230 0.500 . 1 . . . . 10 ILE C . 16496 1 693 . 2 2 10 10 ILE CA C 13 62.964 0.500 . 1 . . . . 10 ILE CA . 16496 1 694 . 2 2 10 10 ILE CB C 13 37.910 0.500 . 1 . . . . 10 ILE CB . 16496 1 695 . 2 2 10 10 ILE CG1 C 13 28.270 0.500 . 1 . . . . 10 ILE CG1 . 16496 1 696 . 2 2 10 10 ILE CG2 C 13 17.338 0.500 . 1 . . . . 10 ILE CG2 . 16496 1 697 . 2 2 10 10 ILE N N 15 120.298 0.250 . 1 . . . . 10 ILE N . 16496 1 698 . 2 2 11 11 LEU H H 1 7.675 0.030 . 1 . . . . 11 LEU H . 16496 1 699 . 2 2 11 11 LEU HA H 1 4.021 0.030 . 1 . . . . 11 LEU HA . 16496 1 700 . 2 2 11 11 LEU HB2 H 1 1.620 0.030 . 1 . . . . 11 LEU HB2 . 16496 1 701 . 2 2 11 11 LEU HD11 H 1 0.910 0.030 . 1 . . . . 11 LEU HD1 . 16496 1 702 . 2 2 11 11 LEU HD12 H 1 0.910 0.030 . 1 . . . . 11 LEU HD1 . 16496 1 703 . 2 2 11 11 LEU HD13 H 1 0.910 0.030 . 1 . . . . 11 LEU HD1 . 16496 1 704 . 2 2 11 11 LEU HD21 H 1 0.860 0.030 . 1 . . . . 11 LEU HD2 . 16496 1 705 . 2 2 11 11 LEU HD22 H 1 0.860 0.030 . 1 . . . . 11 LEU HD2 . 16496 1 706 . 2 2 11 11 LEU HD23 H 1 0.860 0.030 . 1 . . . . 11 LEU HD2 . 16496 1 707 . 2 2 11 11 LEU C C 13 177.876 0.500 . 1 . . . . 11 LEU C . 16496 1 708 . 2 2 11 11 LEU CA C 13 57.868 0.500 . 1 . . . . 11 LEU CA . 16496 1 709 . 2 2 11 11 LEU CB C 13 41.274 0.500 . 1 . . . . 11 LEU CB . 16496 1 710 . 2 2 11 11 LEU CD1 C 13 23.843 0.500 . 1 . . . . 11 LEU CD1 . 16496 1 711 . 2 2 11 11 LEU CD2 C 13 23.860 0.500 . 1 . . . . 11 LEU CD2 . 16496 1 712 . 2 2 11 11 LEU N N 15 120.368 0.250 . 1 . . . . 11 LEU N . 16496 1 713 . 2 2 12 12 VAL H H 1 7.345 0.030 . 1 . . . . 12 VAL H . 16496 1 714 . 2 2 12 12 VAL HA H 1 3.600 0.030 . 1 . . . . 12 VAL HA . 16496 1 715 . 2 2 12 12 VAL HB H 1 2.125 0.030 . 1 . . . . 12 VAL HB . 16496 1 716 . 2 2 12 12 VAL HG11 H 1 0.997 0.030 . 1 . . . . 12 VAL HG1 . 16496 1 717 . 2 2 12 12 VAL HG12 H 1 0.997 0.030 . 1 . . . . 12 VAL HG1 . 16496 1 718 . 2 2 12 12 VAL HG13 H 1 0.997 0.030 . 1 . . . . 12 VAL HG1 . 16496 1 719 . 2 2 12 12 VAL HG21 H 1 0.906 0.030 . 1 . . . . 12 VAL HG2 . 16496 1 720 . 2 2 12 12 VAL HG22 H 1 0.906 0.030 . 1 . . . . 12 VAL HG2 . 16496 1 721 . 2 2 12 12 VAL HG23 H 1 0.906 0.030 . 1 . . . . 12 VAL HG2 . 16496 1 722 . 2 2 12 12 VAL C C 13 178.267 0.500 . 1 . . . . 12 VAL C . 16496 1 723 . 2 2 12 12 VAL CA C 13 66.016 0.500 . 1 . . . . 12 VAL CA . 16496 1 724 . 2 2 12 12 VAL CB C 13 31.309 0.500 . 1 . . . . 12 VAL CB . 16496 1 725 . 2 2 12 12 VAL CG1 C 13 22.215 0.500 . 1 . . . . 12 VAL CG1 . 16496 1 726 . 2 2 12 12 VAL CG2 C 13 20.940 0.500 . 1 . . . . 12 VAL CG2 . 16496 1 727 . 2 2 12 12 VAL N N 15 116.273 0.250 . 1 . . . . 12 VAL N . 16496 1 728 . 2 2 13 13 VAL H H 1 7.555 0.030 . 1 . . . . 13 VAL H . 16496 1 729 . 2 2 13 13 VAL HA H 1 3.590 0.030 . 1 . . . . 13 VAL HA . 16496 1 730 . 2 2 13 13 VAL HB H 1 2.165 0.030 . 1 . . . . 13 VAL HB . 16496 1 731 . 2 2 13 13 VAL HG11 H 1 0.980 0.030 . 1 . . . . 13 VAL HG1 . 16496 1 732 . 2 2 13 13 VAL HG12 H 1 0.980 0.030 . 1 . . . . 13 VAL HG1 . 16496 1 733 . 2 2 13 13 VAL HG13 H 1 0.980 0.030 . 1 . . . . 13 VAL HG1 . 16496 1 734 . 2 2 13 13 VAL HG21 H 1 0.888 0.030 . 1 . . . . 13 VAL HG2 . 16496 1 735 . 2 2 13 13 VAL HG22 H 1 0.888 0.030 . 1 . . . . 13 VAL HG2 . 16496 1 736 . 2 2 13 13 VAL HG23 H 1 0.888 0.030 . 1 . . . . 13 VAL HG2 . 16496 1 737 . 2 2 13 13 VAL C C 13 177.695 0.500 . 1 . . . . 13 VAL C . 16496 1 738 . 2 2 13 13 VAL CA C 13 66.305 0.500 . 1 . . . . 13 VAL CA . 16496 1 739 . 2 2 13 13 VAL CB C 13 31.614 0.500 . 1 . . . . 13 VAL CB . 16496 1 740 . 2 2 13 13 VAL CG1 C 13 22.200 0.500 . 1 . . . . 13 VAL CG1 . 16496 1 741 . 2 2 13 13 VAL CG2 C 13 20.920 0.500 . 1 . . . . 13 VAL CG2 . 16496 1 742 . 2 2 13 13 VAL N N 15 120.956 0.250 . 1 . . . . 13 VAL N . 16496 1 743 . 2 2 14 14 LEU H H 1 8.191 0.030 . 1 . . . . 14 LEU H . 16496 1 744 . 2 2 14 14 LEU HA H 1 3.987 0.030 . 1 . . . . 14 LEU HA . 16496 1 745 . 2 2 14 14 LEU HB2 H 1 1.770 0.030 . 1 . . . . 14 LEU HB2 . 16496 1 746 . 2 2 14 14 LEU HB3 H 1 1.590 0.030 . 1 . . . . 14 LEU HB3 . 16496 1 747 . 2 2 14 14 LEU HD11 H 1 0.830 0.030 . 1 . . . . 14 LEU HD1 . 16496 1 748 . 2 2 14 14 LEU HD12 H 1 0.830 0.030 . 1 . . . . 14 LEU HD1 . 16496 1 749 . 2 2 14 14 LEU HD13 H 1 0.830 0.030 . 1 . . . . 14 LEU HD1 . 16496 1 750 . 2 2 14 14 LEU C C 13 178.800 0.500 . 1 . . . . 14 LEU C . 16496 1 751 . 2 2 14 14 LEU CA C 13 58.170 0.500 . 1 . . . . 14 LEU CA . 16496 1 752 . 2 2 14 14 LEU CB C 13 41.610 0.500 . 1 . . . . 14 LEU CB . 16496 1 753 . 2 2 14 14 LEU CD1 C 13 23.148 0.500 . 1 . . . . 14 LEU CD1 . 16496 1 754 . 2 2 14 14 LEU N N 15 119.261 0.250 . 1 . . . . 14 LEU N . 16496 1 755 . 2 2 15 15 LEU H H 1 8.340 0.030 . 1 . . . . 15 LEU H . 16496 1 756 . 2 2 15 15 LEU HA H 1 4.017 0.030 . 1 . . . . 15 LEU HA . 16496 1 757 . 2 2 15 15 LEU HB2 H 1 1.830 0.030 . 1 . . . . 15 LEU HB2 . 16496 1 758 . 2 2 15 15 LEU HB3 H 1 1.454 0.030 . 1 . . . . 15 LEU HB3 . 16496 1 759 . 2 2 15 15 LEU HD11 H 1 0.840 0.030 . 1 . . . . 15 LEU HD1 . 16496 1 760 . 2 2 15 15 LEU HD12 H 1 0.840 0.030 . 1 . . . . 15 LEU HD1 . 16496 1 761 . 2 2 15 15 LEU HD13 H 1 0.840 0.030 . 1 . . . . 15 LEU HD1 . 16496 1 762 . 2 2 15 15 LEU HD21 H 1 0.830 0.030 . 1 . . . . 15 LEU HD2 . 16496 1 763 . 2 2 15 15 LEU HD22 H 1 0.830 0.030 . 1 . . . . 15 LEU HD2 . 16496 1 764 . 2 2 15 15 LEU HD23 H 1 0.830 0.030 . 1 . . . . 15 LEU HD2 . 16496 1 765 . 2 2 15 15 LEU C C 13 179.248 0.500 . 1 . . . . 15 LEU C . 16496 1 766 . 2 2 15 15 LEU CA C 13 57.822 0.500 . 1 . . . . 15 LEU CA . 16496 1 767 . 2 2 15 15 LEU CB C 13 41.458 0.500 . 1 . . . . 15 LEU CB . 16496 1 768 . 2 2 15 15 LEU CD1 C 13 24.800 0.500 . 1 . . . . 15 LEU CD1 . 16496 1 769 . 2 2 15 15 LEU CD2 C 13 22.475 0.500 . 1 . . . . 15 LEU CD2 . 16496 1 770 . 2 2 15 15 LEU N N 15 117.406 0.250 . 1 . . . . 15 LEU N . 16496 1 771 . 2 2 16 16 SER H H 1 7.934 0.030 . 1 . . . . 16 SER H . 16496 1 772 . 2 2 16 16 SER HA H 1 4.210 0.030 . 1 . . . . 16 SER HA . 16496 1 773 . 2 2 16 16 SER HB2 H 1 3.860 0.030 . 1 . . . . 16 SER HB2 . 16496 1 774 . 2 2 16 16 SER C C 13 176.130 0.500 . 1 . . . . 16 SER C . 16496 1 775 . 2 2 16 16 SER CA C 13 61.979 0.500 . 1 . . . . 16 SER CA . 16496 1 776 . 2 2 16 16 SER CB C 13 65.640 0.500 . 1 . . . . 16 SER CB . 16496 1 777 . 2 2 16 16 SER N N 15 115.668 0.250 . 1 . . . . 16 SER N . 16496 1 778 . 2 2 17 17 VAL H H 1 8.130 0.030 . 1 . . . . 17 VAL H . 16496 1 779 . 2 2 17 17 VAL HA H 1 3.690 0.030 . 1 . . . . 17 VAL HA . 16496 1 780 . 2 2 17 17 VAL HB H 1 2.170 0.030 . 1 . . . . 17 VAL HB . 16496 1 781 . 2 2 17 17 VAL HG11 H 1 1.010 0.030 . 1 . . . . 17 VAL HG1 . 16496 1 782 . 2 2 17 17 VAL HG12 H 1 1.010 0.030 . 1 . . . . 17 VAL HG1 . 16496 1 783 . 2 2 17 17 VAL HG13 H 1 1.010 0.030 . 1 . . . . 17 VAL HG1 . 16496 1 784 . 2 2 17 17 VAL HG21 H 1 0.905 0.030 . 1 . . . . 17 VAL HG2 . 16496 1 785 . 2 2 17 17 VAL HG22 H 1 0.905 0.030 . 1 . . . . 17 VAL HG2 . 16496 1 786 . 2 2 17 17 VAL HG23 H 1 0.905 0.030 . 1 . . . . 17 VAL HG2 . 16496 1 787 . 2 2 17 17 VAL C C 13 177.303 0.500 . 1 . . . . 17 VAL C . 16496 1 788 . 2 2 17 17 VAL CA C 13 66.118 0.500 . 1 . . . . 17 VAL CA . 16496 1 789 . 2 2 17 17 VAL CB C 13 31.613 0.500 . 1 . . . . 17 VAL CB . 16496 1 790 . 2 2 17 17 VAL CG1 C 13 22.330 0.500 . 1 . . . . 17 VAL CG1 . 16496 1 791 . 2 2 17 17 VAL CG2 C 13 20.980 0.500 . 1 . . . . 17 VAL CG2 . 16496 1 792 . 2 2 17 17 VAL N N 15 122.300 0.250 . 1 . . . . 17 VAL N . 16496 1 793 . 2 2 18 18 MET H H 1 8.268 0.030 . 1 . . . . 18 MET H . 16496 1 794 . 2 2 18 18 MET HA H 1 4.100 0.030 . 1 . . . . 18 MET HA . 16496 1 795 . 2 2 18 18 MET HB2 H 1 2.140 0.030 . 1 . . . . 18 MET HB2 . 16496 1 796 . 2 2 18 18 MET HB3 H 1 2.030 0.030 . 1 . . . . 18 MET HB3 . 16496 1 797 . 2 2 18 18 MET HE1 H 1 1.800 0.030 . 1 . . . . 18 MET HE . 16496 1 798 . 2 2 18 18 MET HE2 H 1 1.800 0.030 . 1 . . . . 18 MET HE . 16496 1 799 . 2 2 18 18 MET HE3 H 1 1.800 0.030 . 1 . . . . 18 MET HE . 16496 1 800 . 2 2 18 18 MET HG2 H 1 2.640 0.030 . 1 . . . . 18 MET HG2 . 16496 1 801 . 2 2 18 18 MET HG3 H 1 2.520 0.030 . 1 . . . . 18 MET HG3 . 16496 1 802 . 2 2 18 18 MET C C 13 178.275 0.500 . 1 . . . . 18 MET C . 16496 1 803 . 2 2 18 18 MET CA C 13 58.381 0.500 . 1 . . . . 18 MET CA . 16496 1 804 . 2 2 18 18 MET CB C 13 32.320 0.500 . 1 . . . . 18 MET CB . 16496 1 805 . 2 2 18 18 MET CG C 13 32.160 0.500 . 1 . . . . 18 MET CG . 16496 1 806 . 2 2 18 18 MET N N 15 117.566 0.250 . 1 . . . . 18 MET N . 16496 1 807 . 2 2 19 19 GLY H H 1 8.320 0.030 . 1 . . . . 19 GLY H . 16496 1 808 . 2 2 19 19 GLY HA2 H 1 3.820 0.030 . 1 . . . . 19 GLY HA2 . 16496 1 809 . 2 2 19 19 GLY HA3 H 1 3.691 0.030 . 1 . . . . 19 GLY HA3 . 16496 1 810 . 2 2 19 19 GLY C C 13 174.659 0.500 . 1 . . . . 19 GLY C . 16496 1 811 . 2 2 19 19 GLY CA C 13 47.158 0.500 . 1 . . . . 19 GLY CA . 16496 1 812 . 2 2 19 19 GLY N N 15 105.309 0.250 . 1 . . . . 19 GLY N . 16496 1 813 . 2 2 20 20 ALA H H 1 7.848 0.030 . 1 . . . . 20 ALA H . 16496 1 814 . 2 2 20 20 ALA HA H 1 4.070 0.030 . 1 . . . . 20 ALA HA . 16496 1 815 . 2 2 20 20 ALA HB1 H 1 1.494 0.030 . 1 . . . . 20 ALA HB . 16496 1 816 . 2 2 20 20 ALA HB2 H 1 1.494 0.030 . 1 . . . . 20 ALA HB . 16496 1 817 . 2 2 20 20 ALA HB3 H 1 1.494 0.030 . 1 . . . . 20 ALA HB . 16496 1 818 . 2 2 20 20 ALA C C 13 179.070 0.500 . 1 . . . . 20 ALA C . 16496 1 819 . 2 2 20 20 ALA CA C 13 54.986 0.500 . 1 . . . . 20 ALA CA . 16496 1 820 . 2 2 20 20 ALA CB C 13 17.787 0.500 . 1 . . . . 20 ALA CB . 16496 1 821 . 2 2 20 20 ALA N N 15 123.139 0.250 . 1 . . . . 20 ALA N . 16496 1 822 . 2 2 21 21 ILE H H 1 8.015 0.030 . 1 . . . . 21 ILE H . 16496 1 823 . 2 2 21 21 ILE HA H 1 3.590 0.030 . 1 . . . . 21 ILE HA . 16496 1 824 . 2 2 21 21 ILE HB H 1 1.950 0.030 . 1 . . . . 21 ILE HB . 16496 1 825 . 2 2 21 21 ILE HD11 H 1 0.795 0.030 . 1 . . . . 21 ILE HD1 . 16496 1 826 . 2 2 21 21 ILE HD12 H 1 0.795 0.030 . 1 . . . . 21 ILE HD1 . 16496 1 827 . 2 2 21 21 ILE HD13 H 1 0.795 0.030 . 1 . . . . 21 ILE HD1 . 16496 1 828 . 2 2 21 21 ILE HG12 H 1 1.780 0.030 . 1 . . . . 21 ILE HG12 . 16496 1 829 . 2 2 21 21 ILE HG13 H 1 1.100 0.030 . 1 . . . . 21 ILE HG13 . 16496 1 830 . 2 2 21 21 ILE HG21 H 1 0.870 0.030 . 1 . . . . 21 ILE HG2 . 16496 1 831 . 2 2 21 21 ILE HG22 H 1 0.870 0.030 . 1 . . . . 21 ILE HG2 . 16496 1 832 . 2 2 21 21 ILE HG23 H 1 0.870 0.030 . 1 . . . . 21 ILE HG2 . 16496 1 833 . 2 2 21 21 ILE C C 13 178.201 0.500 . 1 . . . . 21 ILE C . 16496 1 834 . 2 2 21 21 ILE CA C 13 64.795 0.500 . 1 . . . . 21 ILE CA . 16496 1 835 . 2 2 21 21 ILE CB C 13 37.540 0.500 . 1 . . . . 21 ILE CB . 16496 1 836 . 2 2 21 21 ILE CD1 C 13 12.990 0.500 . 1 . . . . 21 ILE CD1 . 16496 1 837 . 2 2 21 21 ILE CG1 C 13 29.040 0.500 . 1 . . . . 21 ILE CG1 . 16496 1 838 . 2 2 21 21 ILE CG2 C 13 17.150 0.500 . 1 . . . . 21 ILE CG2 . 16496 1 839 . 2 2 21 21 ILE N N 15 117.069 0.250 . 1 . . . . 21 ILE N . 16496 1 840 . 2 2 22 22 LEU H H 1 8.041 0.030 . 1 . . . . 22 LEU H . 16496 1 841 . 2 2 22 22 LEU HA H 1 4.050 0.030 . 1 . . . . 22 LEU HA . 16496 1 842 . 2 2 22 22 LEU HB2 H 1 1.810 0.030 . 1 . . . . 22 LEU HB2 . 16496 1 843 . 2 2 22 22 LEU HB3 H 1 1.630 0.030 . 1 . . . . 22 LEU HB3 . 16496 1 844 . 2 2 22 22 LEU HD11 H 1 0.880 0.030 . 1 . . . . 22 LEU HD1 . 16496 1 845 . 2 2 22 22 LEU HD12 H 1 0.880 0.030 . 1 . . . . 22 LEU HD1 . 16496 1 846 . 2 2 22 22 LEU HD13 H 1 0.880 0.030 . 1 . . . . 22 LEU HD1 . 16496 1 847 . 2 2 22 22 LEU HD21 H 1 0.860 0.030 . 1 . . . . 22 LEU HD2 . 16496 1 848 . 2 2 22 22 LEU HD22 H 1 0.860 0.030 . 1 . . . . 22 LEU HD2 . 16496 1 849 . 2 2 22 22 LEU HD23 H 1 0.860 0.030 . 1 . . . . 22 LEU HD2 . 16496 1 850 . 2 2 22 22 LEU C C 13 178.590 0.500 . 1 . . . . 22 LEU C . 16496 1 851 . 2 2 22 22 LEU CA C 13 58.199 0.500 . 1 . . . . 22 LEU CA . 16496 1 852 . 2 2 22 22 LEU CB C 13 41.496 0.500 . 1 . . . . 22 LEU CB . 16496 1 853 . 2 2 22 22 LEU CD1 C 13 24.447 0.500 . 1 . . . . 22 LEU CD1 . 16496 1 854 . 2 2 22 22 LEU CD2 C 13 23.148 0.500 . 1 . . . . 22 LEU CD2 . 16496 1 855 . 2 2 22 22 LEU N N 15 119.852 0.250 . 1 . . . . 22 LEU N . 16496 1 856 . 2 2 23 23 LEU H H 1 7.974 0.030 . 1 . . . . 23 LEU H . 16496 1 857 . 2 2 23 23 LEU HA H 1 4.020 0.030 . 1 . . . . 23 LEU HA . 16496 1 858 . 2 2 23 23 LEU HB2 H 1 1.870 0.030 . 1 . . . . 23 LEU HB2 . 16496 1 859 . 2 2 23 23 LEU HB3 H 1 1.593 0.030 . 1 . . . . 23 LEU HB3 . 16496 1 860 . 2 2 23 23 LEU HD11 H 1 0.870 0.030 . 1 . . . . 23 LEU HD1 . 16496 1 861 . 2 2 23 23 LEU HD12 H 1 0.870 0.030 . 1 . . . . 23 LEU HD1 . 16496 1 862 . 2 2 23 23 LEU HD13 H 1 0.870 0.030 . 1 . . . . 23 LEU HD1 . 16496 1 863 . 2 2 23 23 LEU HD21 H 1 0.870 0.030 . 1 . . . . 23 LEU HD2 . 16496 1 864 . 2 2 23 23 LEU HD22 H 1 0.870 0.030 . 1 . . . . 23 LEU HD2 . 16496 1 865 . 2 2 23 23 LEU HD23 H 1 0.870 0.030 . 1 . . . . 23 LEU HD2 . 16496 1 866 . 2 2 23 23 LEU C C 13 178.805 0.500 . 1 . . . . 23 LEU C . 16496 1 867 . 2 2 23 23 LEU CA C 13 58.110 0.500 . 1 . . . . 23 LEU CA . 16496 1 868 . 2 2 23 23 LEU CB C 13 41.590 0.500 . 1 . . . . 23 LEU CB . 16496 1 869 . 2 2 23 23 LEU CD1 C 13 24.490 0.500 . 1 . . . . 23 LEU CD1 . 16496 1 870 . 2 2 23 23 LEU CD2 C 13 23.050 0.500 . 1 . . . . 23 LEU CD2 . 16496 1 871 . 2 2 23 23 LEU N N 15 118.466 0.250 . 1 . . . . 23 LEU N . 16496 1 872 . 2 2 24 24 ILE H H 1 8.166 0.030 . 1 . . . . 24 ILE H . 16496 1 873 . 2 2 24 24 ILE HA H 1 3.660 0.030 . 1 . . . . 24 ILE HA . 16496 1 874 . 2 2 24 24 ILE HB H 1 1.940 0.030 . 1 . . . . 24 ILE HB . 16496 1 875 . 2 2 24 24 ILE HD11 H 1 0.795 0.030 . 1 . . . . 24 ILE HD1 . 16496 1 876 . 2 2 24 24 ILE HD12 H 1 0.795 0.030 . 1 . . . . 24 ILE HD1 . 16496 1 877 . 2 2 24 24 ILE HD13 H 1 0.795 0.030 . 1 . . . . 24 ILE HD1 . 16496 1 878 . 2 2 24 24 ILE HG12 H 1 1.780 0.030 . 1 . . . . 24 ILE HG12 . 16496 1 879 . 2 2 24 24 ILE HG13 H 1 1.090 0.030 . 1 . . . . 24 ILE HG13 . 16496 1 880 . 2 2 24 24 ILE HG21 H 1 0.870 0.030 . 1 . . . . 24 ILE HG2 . 16496 1 881 . 2 2 24 24 ILE HG22 H 1 0.870 0.030 . 1 . . . . 24 ILE HG2 . 16496 1 882 . 2 2 24 24 ILE HG23 H 1 0.870 0.030 . 1 . . . . 24 ILE HG2 . 16496 1 883 . 2 2 24 24 ILE C C 13 177.996 0.500 . 1 . . . . 24 ILE C . 16496 1 884 . 2 2 24 24 ILE CA C 13 64.726 0.500 . 1 . . . . 24 ILE CA . 16496 1 885 . 2 2 24 24 ILE CB C 13 37.470 0.500 . 1 . . . . 24 ILE CB . 16496 1 886 . 2 2 24 24 ILE CD1 C 13 13.000 0.500 . 1 . . . . 24 ILE CD1 . 16496 1 887 . 2 2 24 24 ILE CG1 C 13 29.090 0.500 . 1 . . . . 24 ILE CG1 . 16496 1 888 . 2 2 24 24 ILE CG2 C 13 17.000 0.500 . 1 . . . . 24 ILE CG2 . 16496 1 889 . 2 2 24 24 ILE N N 15 119.222 0.250 . 1 . . . . 24 ILE N . 16496 1 890 . 2 2 25 25 GLY H H 1 8.270 0.030 . 1 . . . . 25 GLY H . 16496 1 891 . 2 2 25 25 GLY HA2 H 1 3.750 0.030 . 1 . . . . 25 GLY HA2 . 16496 1 892 . 2 2 25 25 GLY C C 13 175.508 0.500 . 1 . . . . 25 GLY C . 16496 1 893 . 2 2 25 25 GLY CA C 13 47.137 0.500 . 1 . . . . 25 GLY CA . 16496 1 894 . 2 2 25 25 GLY N N 15 107.257 0.250 . 1 . . . . 25 GLY N . 16496 1 895 . 2 2 26 26 LEU H H 1 8.357 0.030 . 1 . . . . 26 LEU H . 16496 1 896 . 2 2 26 26 LEU HA H 1 4.085 0.030 . 1 . . . . 26 LEU HA . 16496 1 897 . 2 2 26 26 LEU HB2 H 1 1.790 0.030 . 1 . . . . 26 LEU HB2 . 16496 1 898 . 2 2 26 26 LEU HB3 H 1 1.640 0.030 . 1 . . . . 26 LEU HB3 . 16496 1 899 . 2 2 26 26 LEU HD11 H 1 0.886 0.030 . 1 . . . . 26 LEU HD1 . 16496 1 900 . 2 2 26 26 LEU HD12 H 1 0.886 0.030 . 1 . . . . 26 LEU HD1 . 16496 1 901 . 2 2 26 26 LEU HD13 H 1 0.886 0.030 . 1 . . . . 26 LEU HD1 . 16496 1 902 . 2 2 26 26 LEU C C 13 178.448 0.500 . 1 . . . . 26 LEU C . 16496 1 903 . 2 2 26 26 LEU CA C 13 57.804 0.500 . 1 . . . . 26 LEU CA . 16496 1 904 . 2 2 26 26 LEU CB C 13 41.589 0.500 . 1 . . . . 26 LEU CB . 16496 1 905 . 2 2 26 26 LEU CD1 C 13 23.974 0.500 . 1 . . . . 26 LEU CD1 . 16496 1 906 . 2 2 26 26 LEU N N 15 121.443 0.250 . 1 . . . . 26 LEU N . 16496 1 907 . 2 2 27 27 ALA H H 1 8.200 0.030 . 1 . . . . 27 ALA H . 16496 1 908 . 2 2 27 27 ALA HA H 1 3.989 0.030 . 1 . . . . 27 ALA HA . 16496 1 909 . 2 2 27 27 ALA HB1 H 1 1.464 0.030 . 1 . . . . 27 ALA HB . 16496 1 910 . 2 2 27 27 ALA HB2 H 1 1.464 0.030 . 1 . . . . 27 ALA HB . 16496 1 911 . 2 2 27 27 ALA HB3 H 1 1.464 0.030 . 1 . . . . 27 ALA HB . 16496 1 912 . 2 2 27 27 ALA C C 13 179.025 0.500 . 1 . . . . 27 ALA C . 16496 1 913 . 2 2 27 27 ALA CA C 13 55.082 0.500 . 1 . . . . 27 ALA CA . 16496 1 914 . 2 2 27 27 ALA CB C 13 17.900 0.500 . 1 . . . . 27 ALA CB . 16496 1 915 . 2 2 27 27 ALA N N 15 120.901 0.250 . 1 . . . . 27 ALA N . 16496 1 916 . 2 2 28 28 ALA H H 1 8.267 0.030 . 1 . . . . 28 ALA H . 16496 1 917 . 2 2 28 28 ALA HA H 1 3.960 0.030 . 1 . . . . 28 ALA HA . 16496 1 918 . 2 2 28 28 ALA HB1 H 1 1.455 0.030 . 1 . . . . 28 ALA HB . 16496 1 919 . 2 2 28 28 ALA HB2 H 1 1.455 0.030 . 1 . . . . 28 ALA HB . 16496 1 920 . 2 2 28 28 ALA HB3 H 1 1.455 0.030 . 1 . . . . 28 ALA HB . 16496 1 921 . 2 2 28 28 ALA C C 13 179.297 0.500 . 1 . . . . 28 ALA C . 16496 1 922 . 2 2 28 28 ALA CA C 13 54.932 0.500 . 1 . . . . 28 ALA CA . 16496 1 923 . 2 2 28 28 ALA CB C 13 17.476 0.500 . 1 . . . . 28 ALA CB . 16496 1 924 . 2 2 28 28 ALA N N 15 118.822 0.250 . 1 . . . . 28 ALA N . 16496 1 925 . 2 2 29 29 LEU H H 1 7.940 0.030 . 1 . . . . 29 LEU H . 16496 1 926 . 2 2 29 29 LEU HA H 1 4.000 0.030 . 1 . . . . 29 LEU HA . 16496 1 927 . 2 2 29 29 LEU HB2 H 1 1.800 0.030 . 1 . . . . 29 LEU HB2 . 16496 1 928 . 2 2 29 29 LEU HB3 H 1 1.630 0.030 . 1 . . . . 29 LEU HB3 . 16496 1 929 . 2 2 29 29 LEU HD11 H 1 0.874 0.030 . 1 . . . . 29 LEU HD1 . 16496 1 930 . 2 2 29 29 LEU HD12 H 1 0.874 0.030 . 1 . . . . 29 LEU HD1 . 16496 1 931 . 2 2 29 29 LEU HD13 H 1 0.874 0.030 . 1 . . . . 29 LEU HD1 . 16496 1 932 . 2 2 29 29 LEU C C 13 178.581 0.500 . 1 . . . . 29 LEU C . 16496 1 933 . 2 2 29 29 LEU CA C 13 57.958 0.500 . 1 . . . . 29 LEU CA . 16496 1 934 . 2 2 29 29 LEU CB C 13 41.464 0.500 . 1 . . . . 29 LEU CB . 16496 1 935 . 2 2 29 29 LEU CD1 C 13 23.761 0.500 . 1 . . . . 29 LEU CD1 . 16496 1 936 . 2 2 29 29 LEU N N 15 118.007 0.250 . 1 . . . . 29 LEU N . 16496 1 937 . 2 2 30 30 LEU H H 1 7.974 0.030 . 1 . . . . 30 LEU H . 16496 1 938 . 2 2 30 30 LEU HA H 1 4.000 0.030 . 1 . . . . 30 LEU HA . 16496 1 939 . 2 2 30 30 LEU HB2 H 1 1.880 0.030 . 1 . . . . 30 LEU HB2 . 16496 1 940 . 2 2 30 30 LEU HB3 H 1 1.620 0.030 . 1 . . . . 30 LEU HB3 . 16496 1 941 . 2 2 30 30 LEU HD11 H 1 0.880 0.030 . 1 . . . . 30 LEU HD1 . 16496 1 942 . 2 2 30 30 LEU HD12 H 1 0.880 0.030 . 1 . . . . 30 LEU HD1 . 16496 1 943 . 2 2 30 30 LEU HD13 H 1 0.880 0.030 . 1 . . . . 30 LEU HD1 . 16496 1 944 . 2 2 30 30 LEU C C 13 179.143 0.500 . 1 . . . . 30 LEU C . 16496 1 945 . 2 2 30 30 LEU CA C 13 58.197 0.500 . 1 . . . . 30 LEU CA . 16496 1 946 . 2 2 30 30 LEU CB C 13 41.326 0.500 . 1 . . . . 30 LEU CB . 16496 1 947 . 2 2 30 30 LEU CD1 C 13 24.592 0.500 . 1 . . . . 30 LEU CD1 . 16496 1 948 . 2 2 30 30 LEU CD2 C 13 23.146 0.500 . 1 . . . . 30 LEU CD2 . 16496 1 949 . 2 2 30 30 LEU N N 15 118.466 0.250 . 1 . . . . 30 LEU N . 16496 1 950 . 2 2 31 31 ILE H H 1 8.250 0.030 . 1 . . . . 31 ILE H . 16496 1 951 . 2 2 31 31 ILE HA H 1 3.665 0.030 . 1 . . . . 31 ILE HA . 16496 1 952 . 2 2 31 31 ILE HB H 1 1.990 0.030 . 1 . . . . 31 ILE HB . 16496 1 953 . 2 2 31 31 ILE HD11 H 1 0.796 0.030 . 1 . . . . 31 ILE HD1 . 16496 1 954 . 2 2 31 31 ILE HD12 H 1 0.796 0.030 . 1 . . . . 31 ILE HD1 . 16496 1 955 . 2 2 31 31 ILE HD13 H 1 0.796 0.030 . 1 . . . . 31 ILE HD1 . 16496 1 956 . 2 2 31 31 ILE HG12 H 1 1.760 0.030 . 1 . . . . 31 ILE HG12 . 16496 1 957 . 2 2 31 31 ILE HG13 H 1 1.150 0.030 . 1 . . . . 31 ILE HG13 . 16496 1 958 . 2 2 31 31 ILE HG21 H 1 0.867 0.030 . 1 . . . . 31 ILE HG2 . 16496 1 959 . 2 2 31 31 ILE HG22 H 1 0.867 0.030 . 1 . . . . 31 ILE HG2 . 16496 1 960 . 2 2 31 31 ILE HG23 H 1 0.867 0.030 . 1 . . . . 31 ILE HG2 . 16496 1 961 . 2 2 31 31 ILE C C 13 177.362 0.500 . 1 . . . . 31 ILE C . 16496 1 962 . 2 2 31 31 ILE CA C 13 64.638 0.500 . 1 . . . . 31 ILE CA . 16496 1 963 . 2 2 31 31 ILE CB C 13 37.400 0.500 . 1 . . . . 31 ILE CB . 16496 1 964 . 2 2 31 31 ILE CD1 C 13 12.950 0.500 . 1 . . . . 31 ILE CD1 . 16496 1 965 . 2 2 31 31 ILE CG1 C 13 29.019 0.500 . 1 . . . . 31 ILE CG1 . 16496 1 966 . 2 2 31 31 ILE CG2 C 13 17.110 0.500 . 1 . . . . 31 ILE CG2 . 16496 1 967 . 2 2 31 31 ILE N N 15 119.428 0.250 . 1 . . . . 31 ILE N . 16496 1 968 . 2 2 32 32 TRP H H 1 8.430 0.030 . 1 . . . . 32 TRP H . 16496 1 969 . 2 2 32 32 TRP HA H 1 4.260 0.030 . 1 . . . . 32 TRP HA . 16496 1 970 . 2 2 32 32 TRP HB2 H 1 3.463 0.030 . 1 . . . . 32 TRP HB2 . 16496 1 971 . 2 2 32 32 TRP HB3 H 1 3.333 0.030 . 1 . . . . 32 TRP HB3 . 16496 1 972 . 2 2 32 32 TRP HD1 H 1 7.090 0.030 . 1 . . . . 32 TRP HD1 . 16496 1 973 . 2 2 32 32 TRP HE1 H 1 9.770 0.030 . 1 . . . . 32 TRP HE1 . 16496 1 974 . 2 2 32 32 TRP HE3 H 1 7.520 0.030 . 1 . . . . 32 TRP HE3 . 16496 1 975 . 2 2 32 32 TRP HH2 H 1 7.070 0.030 . 1 . . . . 32 TRP HH2 . 16496 1 976 . 2 2 32 32 TRP HZ2 H 1 7.340 0.030 . 1 . . . . 32 TRP HZ2 . 16496 1 977 . 2 2 32 32 TRP HZ3 H 1 6.960 0.030 . 1 . . . . 32 TRP HZ3 . 16496 1 978 . 2 2 32 32 TRP C C 13 177.519 0.500 . 1 . . . . 32 TRP C . 16496 1 979 . 2 2 32 32 TRP CA C 13 61.182 0.500 . 1 . . . . 32 TRP CA . 16496 1 980 . 2 2 32 32 TRP CB C 13 28.811 0.500 . 1 . . . . 32 TRP CB . 16496 1 981 . 2 2 32 32 TRP N N 15 120.888 0.250 . 1 . . . . 32 TRP N . 16496 1 982 . 2 2 32 32 TRP NE1 N 15 127.733 0.250 . 1 . . . . 32 TRP NE1 . 16496 1 983 . 2 2 33 33 LYS H H 1 8.420 0.030 . 1 . . . . 33 LYS H . 16496 1 984 . 2 2 33 33 LYS HA H 1 3.760 0.030 . 1 . . . . 33 LYS HA . 16496 1 985 . 2 2 33 33 LYS HB2 H 1 1.970 0.030 . 1 . . . . 33 LYS HB2 . 16496 1 986 . 2 2 33 33 LYS HB3 H 1 1.920 0.030 . 1 . . . . 33 LYS HB3 . 16496 1 987 . 2 2 33 33 LYS HE2 H 1 2.865 0.030 . 1 . . . . 33 LYS HE2 . 16496 1 988 . 2 2 33 33 LYS HG2 H 1 1.640 0.030 . 1 . . . . 33 LYS HG2 . 16496 1 989 . 2 2 33 33 LYS HG3 H 1 1.390 0.030 . 1 . . . . 33 LYS HG3 . 16496 1 990 . 2 2 33 33 LYS C C 13 179.581 0.500 . 1 . . . . 33 LYS C . 16496 1 991 . 2 2 33 33 LYS CA C 13 59.788 0.500 . 1 . . . . 33 LYS CA . 16496 1 992 . 2 2 33 33 LYS CB C 13 32.089 0.500 . 1 . . . . 33 LYS CB . 16496 1 993 . 2 2 33 33 LYS CE C 13 41.891 0.500 . 1 . . . . 33 LYS CE . 16496 1 994 . 2 2 33 33 LYS CG C 13 25.480 0.500 . 1 . . . . 33 LYS CG . 16496 1 995 . 2 2 33 33 LYS N N 15 116.744 0.250 . 1 . . . . 33 LYS N . 16496 1 996 . 2 2 34 34 LEU H H 1 8.260 0.030 . 1 . . . . 34 LEU H . 16496 1 997 . 2 2 34 34 LEU HA H 1 4.039 0.030 . 1 . . . . 34 LEU HA . 16496 1 998 . 2 2 34 34 LEU HB2 H 1 1.880 0.030 . 1 . . . . 34 LEU HB2 . 16496 1 999 . 2 2 34 34 LEU HB3 H 1 1.774 0.030 . 1 . . . . 34 LEU HB3 . 16496 1 1000 . 2 2 34 34 LEU HD11 H 1 0.880 0.030 . 1 . . . . 34 LEU HD1 . 16496 1 1001 . 2 2 34 34 LEU HD12 H 1 0.880 0.030 . 1 . . . . 34 LEU HD1 . 16496 1 1002 . 2 2 34 34 LEU HD13 H 1 0.880 0.030 . 1 . . . . 34 LEU HD1 . 16496 1 1003 . 2 2 34 34 LEU C C 13 178.190 0.500 . 1 . . . . 34 LEU C . 16496 1 1004 . 2 2 34 34 LEU CA C 13 58.317 0.500 . 1 . . . . 34 LEU CA . 16496 1 1005 . 2 2 34 34 LEU CB C 13 41.426 0.500 . 1 . . . . 34 LEU CB . 16496 1 1006 . 2 2 34 34 LEU CD1 C 13 24.300 0.500 . 1 . . . . 34 LEU CD1 . 16496 1 1007 . 2 2 34 34 LEU N N 15 122.494 0.250 . 1 . . . . 34 LEU N . 16496 1 1008 . 2 2 35 35 LEU H H 1 8.510 0.030 . 1 . . . . 35 LEU H . 16496 1 1009 . 2 2 35 35 LEU HA H 1 3.904 0.030 . 1 . . . . 35 LEU HA . 16496 1 1010 . 2 2 35 35 LEU HB2 H 1 1.891 0.030 . 1 . . . . 35 LEU HB2 . 16496 1 1011 . 2 2 35 35 LEU HB3 H 1 1.308 0.030 . 1 . . . . 35 LEU HB3 . 16496 1 1012 . 2 2 35 35 LEU HD11 H 1 0.750 0.030 . 1 . . . . 35 LEU HD1 . 16496 1 1013 . 2 2 35 35 LEU HD12 H 1 0.750 0.030 . 1 . . . . 35 LEU HD1 . 16496 1 1014 . 2 2 35 35 LEU HD13 H 1 0.750 0.030 . 1 . . . . 35 LEU HD1 . 16496 1 1015 . 2 2 35 35 LEU HD21 H 1 0.770 0.030 . 1 . . . . 35 LEU HD2 . 16496 1 1016 . 2 2 35 35 LEU HD22 H 1 0.770 0.030 . 1 . . . . 35 LEU HD2 . 16496 1 1017 . 2 2 35 35 LEU HD23 H 1 0.770 0.030 . 1 . . . . 35 LEU HD2 . 16496 1 1018 . 2 2 35 35 LEU C C 13 179.900 0.500 . 1 . . . . 35 LEU C . 16496 1 1019 . 2 2 35 35 LEU CA C 13 58.283 0.500 . 1 . . . . 35 LEU CA . 16496 1 1020 . 2 2 35 35 LEU CB C 13 41.300 0.500 . 1 . . . . 35 LEU CB . 16496 1 1021 . 2 2 35 35 LEU CD1 C 13 24.962 0.500 . 1 . . . . 35 LEU CD1 . 16496 1 1022 . 2 2 35 35 LEU CD2 C 13 22.316 0.500 . 1 . . . . 35 LEU CD2 . 16496 1 1023 . 2 2 35 35 LEU N N 15 119.180 0.250 . 1 . . . . 35 LEU N . 16496 1 1024 . 2 2 36 36 ILE H H 1 8.338 0.030 . 1 . . . . 36 ILE H . 16496 1 1025 . 2 2 36 36 ILE HA H 1 3.609 0.030 . 1 . . . . 36 ILE HA . 16496 1 1026 . 2 2 36 36 ILE HB H 1 1.686 0.030 . 1 . . . . 36 ILE HB . 16496 1 1027 . 2 2 36 36 ILE HD11 H 1 0.475 0.030 . 1 . . . . 36 ILE HD1 . 16496 1 1028 . 2 2 36 36 ILE HD12 H 1 0.475 0.030 . 1 . . . . 36 ILE HD1 . 16496 1 1029 . 2 2 36 36 ILE HD13 H 1 0.475 0.030 . 1 . . . . 36 ILE HD1 . 16496 1 1030 . 2 2 36 36 ILE HG12 H 1 1.260 0.030 . 1 . . . . 36 ILE HG12 . 16496 1 1031 . 2 2 36 36 ILE HG13 H 1 0.880 0.030 . 1 . . . . 36 ILE HG13 . 16496 1 1032 . 2 2 36 36 ILE HG21 H 1 0.726 0.030 . 1 . . . . 36 ILE HG2 . 16496 1 1033 . 2 2 36 36 ILE HG22 H 1 0.726 0.030 . 1 . . . . 36 ILE HG2 . 16496 1 1034 . 2 2 36 36 ILE HG23 H 1 0.726 0.030 . 1 . . . . 36 ILE HG2 . 16496 1 1035 . 2 2 36 36 ILE C C 13 177.705 0.500 . 1 . . . . 36 ILE C . 16496 1 1036 . 2 2 36 36 ILE CA C 13 64.220 0.500 . 1 . . . . 36 ILE CA . 16496 1 1037 . 2 2 36 36 ILE CB C 13 37.378 0.500 . 1 . . . . 36 ILE CB . 16496 1 1038 . 2 2 36 36 ILE CD1 C 13 12.070 0.500 . 1 . . . . 36 ILE CD1 . 16496 1 1039 . 2 2 36 36 ILE CG1 C 13 27.833 0.500 . 1 . . . . 36 ILE CG1 . 16496 1 1040 . 2 2 36 36 ILE CG2 C 13 17.320 0.500 . 1 . . . . 36 ILE CG2 . 16496 1 1041 . 2 2 36 36 ILE N N 15 119.804 0.250 . 1 . . . . 36 ILE N . 16496 1 1042 . 2 2 37 37 THR H H 1 7.951 0.030 . 1 . . . . 37 THR H . 16496 1 1043 . 2 2 37 37 THR HA H 1 3.800 0.030 . 1 . . . . 37 THR HA . 16496 1 1044 . 2 2 37 37 THR HB H 1 4.396 0.030 . 1 . . . . 37 THR HB . 16496 1 1045 . 2 2 37 37 THR HG21 H 1 1.160 0.030 . 1 . . . . 37 THR HG2 . 16496 1 1046 . 2 2 37 37 THR HG22 H 1 1.160 0.030 . 1 . . . . 37 THR HG2 . 16496 1 1047 . 2 2 37 37 THR HG23 H 1 1.160 0.030 . 1 . . . . 37 THR HG2 . 16496 1 1048 . 2 2 37 37 THR C C 13 176.381 0.500 . 1 . . . . 37 THR C . 16496 1 1049 . 2 2 37 37 THR CA C 13 67.563 0.500 . 1 . . . . 37 THR CA . 16496 1 1050 . 2 2 37 37 THR CB C 13 68.971 0.500 . 1 . . . . 37 THR CB . 16496 1 1051 . 2 2 37 37 THR CG2 C 13 21.156 0.500 . 1 . . . . 37 THR CG2 . 16496 1 1052 . 2 2 37 37 THR N N 15 117.859 0.250 . 1 . . . . 37 THR N . 16496 1 1053 . 2 2 38 38 ILE H H 1 8.394 0.030 . 1 . . . . 38 ILE H . 16496 1 1054 . 2 2 38 38 ILE HA H 1 3.595 0.030 . 1 . . . . 38 ILE HA . 16496 1 1055 . 2 2 38 38 ILE HB H 1 1.860 0.030 . 1 . . . . 38 ILE HB . 16496 1 1056 . 2 2 38 38 ILE HD11 H 1 0.806 0.030 . 1 . . . . 38 ILE HD1 . 16496 1 1057 . 2 2 38 38 ILE HD12 H 1 0.806 0.030 . 1 . . . . 38 ILE HD1 . 16496 1 1058 . 2 2 38 38 ILE HD13 H 1 0.806 0.030 . 1 . . . . 38 ILE HD1 . 16496 1 1059 . 2 2 38 38 ILE HG12 H 1 1.780 0.030 . 1 . . . . 38 ILE HG12 . 16496 1 1060 . 2 2 38 38 ILE HG13 H 1 1.080 0.030 . 1 . . . . 38 ILE HG13 . 16496 1 1061 . 2 2 38 38 ILE HG21 H 1 0.870 0.030 . 1 . . . . 38 ILE HG2 . 16496 1 1062 . 2 2 38 38 ILE HG22 H 1 0.870 0.030 . 1 . . . . 38 ILE HG2 . 16496 1 1063 . 2 2 38 38 ILE HG23 H 1 0.870 0.030 . 1 . . . . 38 ILE HG2 . 16496 1 1064 . 2 2 38 38 ILE C C 13 177.695 0.500 . 1 . . . . 38 ILE C . 16496 1 1065 . 2 2 38 38 ILE CA C 13 65.510 0.500 . 1 . . . . 38 ILE CA . 16496 1 1066 . 2 2 38 38 ILE CB C 13 37.900 0.500 . 1 . . . . 38 ILE CB . 16496 1 1067 . 2 2 38 38 ILE CD1 C 13 13.060 0.500 . 1 . . . . 38 ILE CD1 . 16496 1 1068 . 2 2 38 38 ILE CG1 C 13 28.936 0.500 . 1 . . . . 38 ILE CG1 . 16496 1 1069 . 2 2 38 38 ILE CG2 C 13 17.160 0.500 . 1 . . . . 38 ILE CG2 . 16496 1 1070 . 2 2 38 38 ILE N N 15 121.613 0.250 . 1 . . . . 38 ILE N . 16496 1 1071 . 2 2 39 39 HIS H H 1 8.279 0.030 . 1 . . . . 39 HIS H . 16496 1 1072 . 2 2 39 39 HIS HA H 1 4.149 0.030 . 1 . . . . 39 HIS HA . 16496 1 1073 . 2 2 39 39 HIS HB2 H 1 3.355 0.030 . 1 . . . . 39 HIS HB2 . 16496 1 1074 . 2 2 39 39 HIS HB3 H 1 3.254 0.030 . 1 . . . . 39 HIS HB3 . 16496 1 1075 . 2 2 39 39 HIS HD2 H 1 7.290 0.030 . 1 . . . . 39 HIS HD2 . 16496 1 1076 . 2 2 39 39 HIS HE1 H 1 8.530 0.030 . 1 . . . . 39 HIS HE1 . 16496 1 1077 . 2 2 39 39 HIS C C 13 176.557 0.500 . 1 . . . . 39 HIS C . 16496 1 1078 . 2 2 39 39 HIS CA C 13 59.415 0.500 . 1 . . . . 39 HIS CA . 16496 1 1079 . 2 2 39 39 HIS CB C 13 27.966 0.500 . 1 . . . . 39 HIS CB . 16496 1 1080 . 2 2 39 39 HIS N N 15 118.276 0.250 . 1 . . . . 39 HIS N . 16496 1 1081 . 2 2 40 40 ASP H H 1 8.810 0.030 . 1 . . . . 40 ASP H . 16496 1 1082 . 2 2 40 40 ASP HA H 1 4.267 0.030 . 1 . . . . 40 ASP HA . 16496 1 1083 . 2 2 40 40 ASP HB2 H 1 3.095 0.030 . 1 . . . . 40 ASP HB2 . 16496 1 1084 . 2 2 40 40 ASP HB3 H 1 2.760 0.030 . 1 . . . . 40 ASP HB3 . 16496 1 1085 . 2 2 40 40 ASP C C 13 176.977 0.500 . 1 . . . . 40 ASP C . 16496 1 1086 . 2 2 40 40 ASP CA C 13 55.728 0.500 . 1 . . . . 40 ASP CA . 16496 1 1087 . 2 2 40 40 ASP CB C 13 36.860 0.500 . 1 . . . . 40 ASP CB . 16496 1 1088 . 2 2 40 40 ASP N N 15 118.536 0.250 . 1 . . . . 40 ASP N . 16496 1 1089 . 2 2 41 41 ARG H H 1 8.295 0.030 . 1 . . . . 41 ARG H . 16496 1 1090 . 2 2 41 41 ARG HA H 1 4.050 0.030 . 1 . . . . 41 ARG HA . 16496 1 1091 . 2 2 41 41 ARG HB2 H 1 1.906 0.030 . 1 . . . . 41 ARG HB2 . 16496 1 1092 . 2 2 41 41 ARG HD2 H 1 3.074 0.030 . 1 . . . . 41 ARG HD2 . 16496 1 1093 . 2 2 41 41 ARG HE H 1 7.145 0.030 . 1 . . . . 41 ARG HE . 16496 1 1094 . 2 2 41 41 ARG HG2 H 1 1.835 0.030 . 1 . . . . 41 ARG HG2 . 16496 1 1095 . 2 2 41 41 ARG HG3 H 1 1.645 0.030 . 1 . . . . 41 ARG HG3 . 16496 1 1096 . 2 2 41 41 ARG C C 13 178.784 0.500 . 1 . . . . 41 ARG C . 16496 1 1097 . 2 2 41 41 ARG CA C 13 59.424 0.500 . 1 . . . . 41 ARG CA . 16496 1 1098 . 2 2 41 41 ARG CB C 13 29.638 0.500 . 1 . . . . 41 ARG CB . 16496 1 1099 . 2 2 41 41 ARG CD C 13 43.450 0.500 . 1 . . . . 41 ARG CD . 16496 1 1100 . 2 2 41 41 ARG CG C 13 27.300 0.500 . 1 . . . . 41 ARG CG . 16496 1 1101 . 2 2 41 41 ARG N N 15 120.423 0.250 . 1 . . . . 41 ARG N . 16496 1 1102 . 2 2 41 41 ARG NE N 15 110.256 0.250 . 1 . . . . 41 ARG NE . 16496 1 1103 . 2 2 42 42 LYS H H 1 8.145 0.030 . 1 . . . . 42 LYS H . 16496 1 1104 . 2 2 42 42 LYS HA H 1 3.977 0.030 . 1 . . . . 42 LYS HA . 16496 1 1105 . 2 2 42 42 LYS HB2 H 1 1.870 0.030 . 1 . . . . 42 LYS HB2 . 16496 1 1106 . 2 2 42 42 LYS HB3 H 1 1.760 0.030 . 1 . . . . 42 LYS HB3 . 16496 1 1107 . 2 2 42 42 LYS HD2 H 1 1.590 0.030 . 1 . . . . 42 LYS HD2 . 16496 1 1108 . 2 2 42 42 LYS HE2 H 1 2.835 0.030 . 1 . . . . 42 LYS HE2 . 16496 1 1109 . 2 2 42 42 LYS HG2 H 1 1.580 0.030 . 1 . . . . 42 LYS HG2 . 16496 1 1110 . 2 2 42 42 LYS HG3 H 1 1.325 0.030 . 1 . . . . 42 LYS HG3 . 16496 1 1111 . 2 2 42 42 LYS C C 13 178.937 0.500 . 1 . . . . 42 LYS C . 16496 1 1112 . 2 2 42 42 LYS CA C 13 59.500 0.500 . 1 . . . . 42 LYS CA . 16496 1 1113 . 2 2 42 42 LYS CB C 13 32.000 0.500 . 1 . . . . 42 LYS CB . 16496 1 1114 . 2 2 42 42 LYS CD C 13 29.000 0.500 . 1 . . . . 42 LYS CD . 16496 1 1115 . 2 2 42 42 LYS CE C 13 41.830 0.500 . 1 . . . . 42 LYS CE . 16496 1 1116 . 2 2 42 42 LYS CG C 13 25.400 0.500 . 1 . . . . 42 LYS CG . 16496 1 1117 . 2 2 42 42 LYS N N 15 119.446 0.250 . 1 . . . . 42 LYS N . 16496 1 1118 . 2 2 43 43 GLU H H 1 8.020 0.030 . 1 . . . . 43 GLU H . 16496 1 1119 . 2 2 43 43 GLU HA H 1 3.960 0.030 . 1 . . . . 43 GLU HA . 16496 1 1120 . 2 2 43 43 GLU HB2 H 1 1.980 0.030 . 1 . . . . 43 GLU HB2 . 16496 1 1121 . 2 2 43 43 GLU HG2 H 1 2.230 0.030 . 1 . . . . 43 GLU HG2 . 16496 1 1122 . 2 2 43 43 GLU HG3 H 1 2.190 0.030 . 1 . . . . 43 GLU HG3 . 16496 1 1123 . 2 2 43 43 GLU C C 13 177.836 0.500 . 1 . . . . 43 GLU C . 16496 1 1124 . 2 2 43 43 GLU CA C 13 58.375 0.500 . 1 . . . . 43 GLU CA . 16496 1 1125 . 2 2 43 43 GLU CB C 13 27.600 0.500 . 1 . . . . 43 GLU CB . 16496 1 1126 . 2 2 43 43 GLU CG C 13 32.010 0.500 . 1 . . . . 43 GLU CG . 16496 1 1127 . 2 2 43 43 GLU N N 15 118.408 0.250 . 1 . . . . 43 GLU N . 16496 1 1128 . 2 2 44 44 PHE H H 1 8.284 0.030 . 1 . . . . 44 PHE H . 16496 1 1129 . 2 2 44 44 PHE HA H 1 4.310 0.030 . 1 . . . . 44 PHE HA . 16496 1 1130 . 2 2 44 44 PHE HB2 H 1 3.170 0.030 . 1 . . . . 44 PHE HB2 . 16496 1 1131 . 2 2 44 44 PHE HD1 H 1 7.220 0.030 . 3 . . . . 44 PHE HD1 . 16496 1 1132 . 2 2 44 44 PHE C C 13 177.124 0.500 . 1 . . . . 44 PHE C . 16496 1 1133 . 2 2 44 44 PHE CA C 13 60.927 0.500 . 1 . . . . 44 PHE CA . 16496 1 1134 . 2 2 44 44 PHE CB C 13 38.800 0.500 . 1 . . . . 44 PHE CB . 16496 1 1135 . 2 2 44 44 PHE N N 15 119.881 0.250 . 1 . . . . 44 PHE N . 16496 1 1136 . 2 2 45 45 ALA H H 1 8.110 0.030 . 1 . . . . 45 ALA H . 16496 1 1137 . 2 2 45 45 ALA HA H 1 4.025 0.030 . 1 . . . . 45 ALA HA . 16496 1 1138 . 2 2 45 45 ALA HB1 H 1 1.474 0.030 . 1 . . . . 45 ALA HB . 16496 1 1139 . 2 2 45 45 ALA HB2 H 1 1.474 0.030 . 1 . . . . 45 ALA HB . 16496 1 1140 . 2 2 45 45 ALA HB3 H 1 1.474 0.030 . 1 . . . . 45 ALA HB . 16496 1 1141 . 2 2 45 45 ALA C C 13 179.504 0.500 . 1 . . . . 45 ALA C . 16496 1 1142 . 2 2 45 45 ALA CA C 13 54.843 0.500 . 1 . . . . 45 ALA CA . 16496 1 1143 . 2 2 45 45 ALA CB C 13 17.920 0.500 . 1 . . . . 45 ALA CB . 16496 1 1144 . 2 2 45 45 ALA N N 15 120.913 0.250 . 1 . . . . 45 ALA N . 16496 1 1145 . 2 2 46 46 LYS H H 1 7.777 0.030 . 1 . . . . 46 LYS H . 16496 1 1146 . 2 2 46 46 LYS HA H 1 3.920 0.030 . 1 . . . . 46 LYS HA . 16496 1 1147 . 2 2 46 46 LYS HB2 H 1 1.820 0.030 . 1 . . . . 46 LYS HB2 . 16496 1 1148 . 2 2 46 46 LYS HD2 H 1 1.580 0.030 . 1 . . . . 46 LYS HD2 . 16496 1 1149 . 2 2 46 46 LYS HE2 H 1 2.841 0.030 . 1 . . . . 46 LYS HE2 . 16496 1 1150 . 2 2 46 46 LYS HG2 H 1 1.430 0.030 . 1 . . . . 46 LYS HG2 . 16496 1 1151 . 2 2 46 46 LYS HG3 H 1 1.280 0.030 . 1 . . . . 46 LYS HG3 . 16496 1 1152 . 2 2 46 46 LYS C C 13 178.212 0.500 . 1 . . . . 46 LYS C . 16496 1 1153 . 2 2 46 46 LYS CA C 13 59.155 0.500 . 1 . . . . 46 LYS CA . 16496 1 1154 . 2 2 46 46 LYS CB C 13 31.692 0.500 . 1 . . . . 46 LYS CB . 16496 1 1155 . 2 2 46 46 LYS CD C 13 29.100 0.500 . 1 . . . . 46 LYS CD . 16496 1 1156 . 2 2 46 46 LYS CE C 13 41.769 0.500 . 1 . . . . 46 LYS CE . 16496 1 1157 . 2 2 46 46 LYS CG C 13 24.530 0.500 . 1 . . . . 46 LYS CG . 16496 1 1158 . 2 2 46 46 LYS N N 15 117.980 0.250 . 1 . . . . 46 LYS N . 16496 1 1159 . 2 2 47 47 PHE H H 1 8.042 0.030 . 1 . . . . 47 PHE H . 16496 1 1160 . 2 2 47 47 PHE HA H 1 4.201 0.030 . 1 . . . . 47 PHE HA . 16496 1 1161 . 2 2 47 47 PHE HB2 H 1 3.170 0.030 . 1 . . . . 47 PHE HB2 . 16496 1 1162 . 2 2 47 47 PHE HB3 H 1 3.113 0.030 . 1 . . . . 47 PHE HB3 . 16496 1 1163 . 2 2 47 47 PHE HD1 H 1 7.113 0.030 . 3 . . . . 47 PHE HD1 . 16496 1 1164 . 2 2 47 47 PHE HE1 H 1 7.243 0.030 . 3 . . . . 47 PHE HE1 . 16496 1 1165 . 2 2 47 47 PHE C C 13 177.523 0.500 . 1 . . . . 47 PHE C . 16496 1 1166 . 2 2 47 47 PHE CA C 13 60.547 0.500 . 1 . . . . 47 PHE CA . 16496 1 1167 . 2 2 47 47 PHE CB C 13 38.600 0.500 . 1 . . . . 47 PHE CB . 16496 1 1168 . 2 2 47 47 PHE N N 15 119.658 0.250 . 1 . . . . 47 PHE N . 16496 1 1169 . 2 2 48 48 GLU H H 1 8.336 0.030 . 1 . . . . 48 GLU H . 16496 1 1170 . 2 2 48 48 GLU HA H 1 3.765 0.030 . 1 . . . . 48 GLU HA . 16496 1 1171 . 2 2 48 48 GLU HB2 H 1 1.950 0.030 . 1 . . . . 48 GLU HB2 . 16496 1 1172 . 2 2 48 48 GLU HG2 H 1 2.230 0.030 . 1 . . . . 48 GLU HG2 . 16496 1 1173 . 2 2 48 48 GLU HG3 H 1 2.150 0.030 . 1 . . . . 48 GLU HG3 . 16496 1 1174 . 2 2 48 48 GLU C C 13 178.628 0.500 . 1 . . . . 48 GLU C . 16496 1 1175 . 2 2 48 48 GLU CA C 13 58.435 0.500 . 1 . . . . 48 GLU CA . 16496 1 1176 . 2 2 48 48 GLU CB C 13 27.760 0.500 . 1 . . . . 48 GLU CB . 16496 1 1177 . 2 2 48 48 GLU CG C 13 32.590 0.500 . 1 . . . . 48 GLU CG . 16496 1 1178 . 2 2 48 48 GLU N N 15 117.838 0.250 . 1 . . . . 48 GLU N . 16496 1 1179 . 2 2 49 49 GLU H H 1 8.130 0.030 . 1 . . . . 49 GLU H . 16496 1 1180 . 2 2 49 49 GLU HA H 1 3.958 0.030 . 1 . . . . 49 GLU HA . 16496 1 1181 . 2 2 49 49 GLU HB2 H 1 2.150 0.030 . 1 . . . . 49 GLU HB2 . 16496 1 1182 . 2 2 49 49 GLU HB3 H 1 2.070 0.030 . 1 . . . . 49 GLU HB3 . 16496 1 1183 . 2 2 49 49 GLU HG2 H 1 2.550 0.030 . 1 . . . . 49 GLU HG2 . 16496 1 1184 . 2 2 49 49 GLU HG3 H 1 2.410 0.030 . 1 . . . . 49 GLU HG3 . 16496 1 1185 . 2 2 49 49 GLU C C 13 178.062 0.500 . 1 . . . . 49 GLU C . 16496 1 1186 . 2 2 49 49 GLU CA C 13 58.544 0.500 . 1 . . . . 49 GLU CA . 16496 1 1187 . 2 2 49 49 GLU CB C 13 27.580 0.500 . 1 . . . . 49 GLU CB . 16496 1 1188 . 2 2 49 49 GLU CG C 13 32.790 0.500 . 1 . . . . 49 GLU CG . 16496 1 1189 . 2 2 49 49 GLU N N 15 119.175 0.250 . 1 . . . . 49 GLU N . 16496 1 1190 . 2 2 50 50 GLU H H 1 8.065 0.030 . 1 . . . . 50 GLU H . 16496 1 1191 . 2 2 50 50 GLU HA H 1 3.940 0.030 . 1 . . . . 50 GLU HA . 16496 1 1192 . 2 2 50 50 GLU HB2 H 1 1.980 0.030 . 1 . . . . 50 GLU HB2 . 16496 1 1193 . 2 2 50 50 GLU HB3 H 1 2.120 0.030 . 1 . . . . 50 GLU HB3 . 16496 1 1194 . 2 2 50 50 GLU HG2 H 1 2.570 0.030 . 1 . . . . 50 GLU HG2 . 16496 1 1195 . 2 2 50 50 GLU HG3 H 1 2.410 0.030 . 1 . . . . 50 GLU HG3 . 16496 1 1196 . 2 2 50 50 GLU C C 13 178.324 0.500 . 1 . . . . 50 GLU C . 16496 1 1197 . 2 2 50 50 GLU CA C 13 58.448 0.500 . 1 . . . . 50 GLU CA . 16496 1 1198 . 2 2 50 50 GLU CB C 13 27.600 0.500 . 1 . . . . 50 GLU CB . 16496 1 1199 . 2 2 50 50 GLU CG C 13 32.900 0.500 . 1 . . . . 50 GLU CG . 16496 1 1200 . 2 2 50 50 GLU N N 15 118.550 0.250 . 1 . . . . 50 GLU N . 16496 1 1201 . 2 2 51 51 ARG H H 1 7.936 0.030 . 1 . . . . 51 ARG H . 16496 1 1202 . 2 2 51 51 ARG HA H 1 3.854 0.030 . 1 . . . . 51 ARG HA . 16496 1 1203 . 2 2 51 51 ARG HB2 H 1 1.670 0.030 . 1 . . . . 51 ARG HB2 . 16496 1 1204 . 2 2 51 51 ARG HB3 H 1 1.570 0.030 . 1 . . . . 51 ARG HB3 . 16496 1 1205 . 2 2 51 51 ARG HD2 H 1 2.910 0.030 . 1 . . . . 51 ARG HD2 . 16496 1 1206 . 2 2 51 51 ARG HD3 H 1 2.890 0.030 . 1 . . . . 51 ARG HD3 . 16496 1 1207 . 2 2 51 51 ARG HE H 1 7.030 0.030 . 1 . . . . 51 ARG HE . 16496 1 1208 . 2 2 51 51 ARG HG2 H 1 1.425 0.030 . 1 . . . . 51 ARG HG2 . 16496 1 1209 . 2 2 51 51 ARG HG3 H 1 1.350 0.030 . 1 . . . . 51 ARG HG3 . 16496 1 1210 . 2 2 51 51 ARG C C 13 177.760 0.500 . 1 . . . . 51 ARG C . 16496 1 1211 . 2 2 51 51 ARG CA C 13 58.370 0.500 . 1 . . . . 51 ARG CA . 16496 1 1212 . 2 2 51 51 ARG CB C 13 29.429 0.500 . 1 . . . . 51 ARG CB . 16496 1 1213 . 2 2 51 51 ARG CD C 13 43.020 0.500 . 1 . . . . 51 ARG CD . 16496 1 1214 . 2 2 51 51 ARG CG C 13 26.800 0.500 . 1 . . . . 51 ARG CG . 16496 1 1215 . 2 2 51 51 ARG N N 15 119.127 0.250 . 1 . . . . 51 ARG N . 16496 1 1216 . 2 2 51 51 ARG NE N 15 110.297 0.250 . 1 . . . . 51 ARG NE . 16496 1 1217 . 2 2 52 52 ALA H H 1 7.850 0.030 . 1 . . . . 52 ALA H . 16496 1 1218 . 2 2 52 52 ALA HA H 1 4.023 0.030 . 1 . . . . 52 ALA HA . 16496 1 1219 . 2 2 52 52 ALA HB1 H 1 1.388 0.030 . 1 . . . . 52 ALA HB . 16496 1 1220 . 2 2 52 52 ALA HB2 H 1 1.388 0.030 . 1 . . . . 52 ALA HB . 16496 1 1221 . 2 2 52 52 ALA HB3 H 1 1.388 0.030 . 1 . . . . 52 ALA HB . 16496 1 1222 . 2 2 52 52 ALA C C 13 179.039 0.500 . 1 . . . . 52 ALA C . 16496 1 1223 . 2 2 52 52 ALA CA C 13 54.123 0.500 . 1 . . . . 52 ALA CA . 16496 1 1224 . 2 2 52 52 ALA CB C 13 17.810 0.500 . 1 . . . . 52 ALA CB . 16496 1 1225 . 2 2 52 52 ALA N N 15 121.236 0.250 . 1 . . . . 52 ALA N . 16496 1 1226 . 2 2 53 53 ARG H H 1 7.808 0.030 . 1 . . . . 53 ARG H . 16496 1 1227 . 2 2 53 53 ARG HA H 1 4.008 0.030 . 1 . . . . 53 ARG HA . 16496 1 1228 . 2 2 53 53 ARG HB2 H 1 1.840 0.030 . 1 . . . . 53 ARG HB2 . 16496 1 1229 . 2 2 53 53 ARG HB3 H 1 1.770 0.030 . 1 . . . . 53 ARG HB3 . 16496 1 1230 . 2 2 53 53 ARG HD2 H 1 3.095 0.030 . 1 . . . . 53 ARG HD2 . 16496 1 1231 . 2 2 53 53 ARG HE H 1 7.070 0.030 . 1 . . . . 53 ARG HE . 16496 1 1232 . 2 2 53 53 ARG HG2 H 1 1.670 0.030 . 1 . . . . 53 ARG HG2 . 16496 1 1233 . 2 2 53 53 ARG HG3 H 1 1.565 0.030 . 1 . . . . 53 ARG HG3 . 16496 1 1234 . 2 2 53 53 ARG C C 13 177.104 0.500 . 1 . . . . 53 ARG C . 16496 1 1235 . 2 2 53 53 ARG CA C 13 57.811 0.500 . 1 . . . . 53 ARG CA . 16496 1 1236 . 2 2 53 53 ARG CB C 13 29.980 0.500 . 1 . . . . 53 ARG CB . 16496 1 1237 . 2 2 53 53 ARG CD C 13 43.240 0.500 . 1 . . . . 53 ARG CD . 16496 1 1238 . 2 2 53 53 ARG CG C 13 27.140 0.500 . 1 . . . . 53 ARG CG . 16496 1 1239 . 2 2 53 53 ARG N N 15 117.240 0.250 . 1 . . . . 53 ARG N . 16496 1 1240 . 2 2 53 53 ARG NE N 15 110.439 0.250 . 1 . . . . 53 ARG NE . 16496 1 1241 . 2 2 54 54 ALA H H 1 7.770 0.030 . 1 . . . . 54 ALA H . 16496 1 1242 . 2 2 54 54 ALA HA H 1 4.100 0.030 . 1 . . . . 54 ALA HA . 16496 1 1243 . 2 2 54 54 ALA HB1 H 1 1.350 0.030 . 1 . . . . 54 ALA HB . 16496 1 1244 . 2 2 54 54 ALA HB2 H 1 1.350 0.030 . 1 . . . . 54 ALA HB . 16496 1 1245 . 2 2 54 54 ALA HB3 H 1 1.350 0.030 . 1 . . . . 54 ALA HB . 16496 1 1246 . 2 2 54 54 ALA C C 13 178.748 0.500 . 1 . . . . 54 ALA C . 16496 1 1247 . 2 2 54 54 ALA CA C 13 53.656 0.500 . 1 . . . . 54 ALA CA . 16496 1 1248 . 2 2 54 54 ALA CB C 13 18.070 0.500 . 1 . . . . 54 ALA CB . 16496 1 1249 . 2 2 54 54 ALA N N 15 121.176 0.250 . 1 . . . . 54 ALA N . 16496 1 1250 . 2 2 55 55 LYS H H 1 7.733 0.030 . 1 . . . . 55 LYS H . 16496 1 1251 . 2 2 55 55 LYS HA H 1 3.988 0.030 . 1 . . . . 55 LYS HA . 16496 1 1252 . 2 2 55 55 LYS HB2 H 1 1.690 0.030 . 1 . . . . 55 LYS HB2 . 16496 1 1253 . 2 2 55 55 LYS HD2 H 1 1.510 0.030 . 1 . . . . 55 LYS HD2 . 16496 1 1254 . 2 2 55 55 LYS HE2 H 1 2.788 0.030 . 1 . . . . 55 LYS HE2 . 16496 1 1255 . 2 2 55 55 LYS HG2 H 1 1.290 0.030 . 1 . . . . 55 LYS HG2 . 16496 1 1256 . 2 2 55 55 LYS HG3 H 1 1.195 0.030 . 1 . . . . 55 LYS HG3 . 16496 1 1257 . 2 2 55 55 LYS C C 13 177.106 0.500 . 1 . . . . 55 LYS C . 16496 1 1258 . 2 2 55 55 LYS CA C 13 57.725 0.500 . 1 . . . . 55 LYS CA . 16496 1 1259 . 2 2 55 55 LYS CB C 13 32.210 0.500 . 1 . . . . 55 LYS CB . 16496 1 1260 . 2 2 55 55 LYS CD C 13 28.880 0.500 . 1 . . . . 55 LYS CD . 16496 1 1261 . 2 2 55 55 LYS CE C 13 41.802 0.500 . 1 . . . . 55 LYS CE . 16496 1 1262 . 2 2 55 55 LYS CG C 13 24.500 0.500 . 1 . . . . 55 LYS CG . 16496 1 1263 . 2 2 55 55 LYS N N 15 117.713 0.250 . 1 . . . . 55 LYS N . 16496 1 1264 . 2 2 56 56 TRP H H 1 7.829 0.030 . 1 . . . . 56 TRP H . 16496 1 1265 . 2 2 56 56 TRP HA H 1 4.412 0.030 . 1 . . . . 56 TRP HA . 16496 1 1266 . 2 2 56 56 TRP HB2 H 1 3.315 0.030 . 1 . . . . 56 TRP HB2 . 16496 1 1267 . 2 2 56 56 TRP HB3 H 1 3.182 0.030 . 1 . . . . 56 TRP HB3 . 16496 1 1268 . 2 2 56 56 TRP HD1 H 1 7.180 0.030 . 1 . . . . 56 TRP HD1 . 16496 1 1269 . 2 2 56 56 TRP HE1 H 1 9.940 0.030 . 1 . . . . 56 TRP HE1 . 16496 1 1270 . 2 2 56 56 TRP HE3 H 1 7.560 0.030 . 1 . . . . 56 TRP HE3 . 16496 1 1271 . 2 2 56 56 TRP HH2 H 1 7.120 0.030 . 1 . . . . 56 TRP HH2 . 16496 1 1272 . 2 2 56 56 TRP HZ2 H 1 7.380 0.030 . 1 . . . . 56 TRP HZ2 . 16496 1 1273 . 2 2 56 56 TRP HZ3 H 1 7.040 0.030 . 1 . . . . 56 TRP HZ3 . 16496 1 1274 . 2 2 56 56 TRP C C 13 176.743 0.500 . 1 . . . . 56 TRP C . 16496 1 1275 . 2 2 56 56 TRP CA C 13 58.442 0.500 . 1 . . . . 56 TRP CA . 16496 1 1276 . 2 2 56 56 TRP CB C 13 29.321 0.500 . 1 . . . . 56 TRP CB . 16496 1 1277 . 2 2 56 56 TRP N N 15 119.257 0.250 . 1 . . . . 56 TRP N . 16496 1 1278 . 2 2 56 56 TRP NE1 N 15 128.546 0.250 . 1 . . . . 56 TRP NE1 . 16496 1 1279 . 2 2 57 57 ASP H H 1 8.182 0.030 . 1 . . . . 57 ASP H . 16496 1 1280 . 2 2 57 57 ASP HA H 1 4.518 0.030 . 1 . . . . 57 ASP HA . 16496 1 1281 . 2 2 57 57 ASP HB2 H 1 2.800 0.030 . 1 . . . . 57 ASP HB2 . 16496 1 1282 . 2 2 57 57 ASP C C 13 175.536 0.500 . 1 . . . . 57 ASP C . 16496 1 1283 . 2 2 57 57 ASP CA C 13 53.622 0.500 . 1 . . . . 57 ASP CA . 16496 1 1284 . 2 2 57 57 ASP CB C 13 37.463 0.500 . 1 . . . . 57 ASP CB . 16496 1 1285 . 2 2 57 57 ASP N N 15 117.776 0.250 . 1 . . . . 57 ASP N . 16496 1 1286 . 2 2 58 58 THR H H 1 7.711 0.030 . 1 . . . . 58 THR H . 16496 1 1287 . 2 2 58 58 THR HA H 1 4.100 0.030 . 1 . . . . 58 THR HA . 16496 1 1288 . 2 2 58 58 THR HB H 1 3.995 0.030 . 1 . . . . 58 THR HB . 16496 1 1289 . 2 2 58 58 THR HG21 H 1 1.058 0.030 . 1 . . . . 58 THR HG2 . 16496 1 1290 . 2 2 58 58 THR HG22 H 1 1.058 0.030 . 1 . . . . 58 THR HG2 . 16496 1 1291 . 2 2 58 58 THR HG23 H 1 1.058 0.030 . 1 . . . . 58 THR HG2 . 16496 1 1292 . 2 2 58 58 THR C C 13 174.471 0.500 . 1 . . . . 58 THR C . 16496 1 1293 . 2 2 58 58 THR CA C 13 62.854 0.500 . 1 . . . . 58 THR CA . 16496 1 1294 . 2 2 58 58 THR CB C 13 69.351 0.500 . 1 . . . . 58 THR CB . 16496 1 1295 . 2 2 58 58 THR CG2 C 13 21.255 0.500 . 1 . . . . 58 THR CG2 . 16496 1 1296 . 2 2 58 58 THR N N 15 112.400 0.250 . 1 . . . . 58 THR N . 16496 1 1297 . 2 2 59 59 ALA H H 1 7.735 0.030 . 1 . . . . 59 ALA H . 16496 1 1298 . 2 2 59 59 ALA HA H 1 4.077 0.030 . 1 . . . . 59 ALA HA . 16496 1 1299 . 2 2 59 59 ALA HB1 H 1 1.261 0.030 . 1 . . . . 59 ALA HB . 16496 1 1300 . 2 2 59 59 ALA HB2 H 1 1.261 0.030 . 1 . . . . 59 ALA HB . 16496 1 1301 . 2 2 59 59 ALA HB3 H 1 1.261 0.030 . 1 . . . . 59 ALA HB . 16496 1 1302 . 2 2 59 59 ALA C C 13 176.892 0.500 . 1 . . . . 59 ALA C . 16496 1 1303 . 2 2 59 59 ALA CA C 13 53.150 0.500 . 1 . . . . 59 ALA CA . 16496 1 1304 . 2 2 59 59 ALA CB C 13 18.780 0.500 . 1 . . . . 59 ALA CB . 16496 1 1305 . 2 2 59 59 ALA N N 15 122.887 0.250 . 1 . . . . 59 ALA N . 16496 1 1306 . 2 2 60 60 ASN H H 1 7.700 0.030 . 1 . . . . 60 ASN H . 16496 1 1307 . 2 2 60 60 ASN HA H 1 4.548 0.030 . 1 . . . . 60 ASN HA . 16496 1 1308 . 2 2 60 60 ASN HB2 H 1 2.602 0.030 . 1 . . . . 60 ASN HB2 . 16496 1 1309 . 2 2 60 60 ASN HB3 H 1 2.345 0.030 . 1 . . . . 60 ASN HB3 . 16496 1 1310 . 2 2 60 60 ASN HD21 H 1 7.005 0.030 . 1 . . . . 60 ASN HD21 . 16496 1 1311 . 2 2 60 60 ASN HD22 H 1 6.311 0.030 . 1 . . . . 60 ASN HD22 . 16496 1 1312 . 2 2 60 60 ASN C C 13 173.688 0.500 . 1 . . . . 60 ASN C . 16496 1 1313 . 2 2 60 60 ASN CA C 13 52.871 0.500 . 1 . . . . 60 ASN CA . 16496 1 1314 . 2 2 60 60 ASN CB C 13 38.875 0.500 . 1 . . . . 60 ASN CB . 16496 1 1315 . 2 2 60 60 ASN N N 15 114.482 0.250 . 1 . . . . 60 ASN N . 16496 1 1316 . 2 2 60 60 ASN ND2 N 15 111.291 0.250 . 1 . . . . 60 ASN ND2 . 16496 1 1317 . 2 2 61 61 ASN H H 1 7.663 0.030 . 1 . . . . 61 ASN H . 16496 1 1318 . 2 2 61 61 ASN HA H 1 4.840 0.030 . 1 . . . . 61 ASN HA . 16496 1 1319 . 2 2 61 61 ASN HB2 H 1 2.890 0.030 . 1 . . . . 61 ASN HB2 . 16496 1 1320 . 2 2 61 61 ASN HB3 H 1 2.700 0.030 . 1 . . . . 61 ASN HB3 . 16496 1 1321 . 2 2 61 61 ASN HD21 H 1 7.465 0.030 . 1 . . . . 61 ASN HD21 . 16496 1 1322 . 2 2 61 61 ASN HD22 H 1 6.511 0.030 . 1 . . . . 61 ASN HD22 . 16496 1 1323 . 2 2 61 61 ASN C C 13 174.048 0.500 . 1 . . . . 61 ASN C . 16496 1 1324 . 2 2 61 61 ASN CA C 13 51.020 0.500 . 1 . . . . 61 ASN CA . 16496 1 1325 . 2 2 61 61 ASN CB C 13 39.170 0.500 . 1 . . . . 61 ASN CB . 16496 1 1326 . 2 2 61 61 ASN N N 15 118.981 0.250 . 1 . . . . 61 ASN N . 16496 1 1327 . 2 2 61 61 ASN ND2 N 15 111.156 0.250 . 1 . . . . 61 ASN ND2 . 16496 1 1328 . 2 2 62 62 PRO HA H 1 4.261 0.030 . 1 . . . . 62 PRO HA . 16496 1 1329 . 2 2 62 62 PRO HB2 H 1 2.265 0.030 . 1 . . . . 62 PRO HB2 . 16496 1 1330 . 2 2 62 62 PRO HB3 H 1 1.860 0.030 . 1 . . . . 62 PRO HB3 . 16496 1 1331 . 2 2 62 62 PRO HD2 H 1 3.820 0.030 . 1 . . . . 62 PRO HD2 . 16496 1 1332 . 2 2 62 62 PRO HD3 H 1 3.730 0.030 . 1 . . . . 62 PRO HD3 . 16496 1 1333 . 2 2 62 62 PRO HG2 H 1 1.975 0.030 . 1 . . . . 62 PRO HG2 . 16496 1 1334 . 2 2 62 62 PRO HG3 H 1 1.925 0.030 . 1 . . . . 62 PRO HG3 . 16496 1 1335 . 2 2 62 62 PRO C C 13 177.114 0.500 . 1 . . . . 62 PRO C . 16496 1 1336 . 2 2 62 62 PRO CA C 13 64.291 0.500 . 1 . . . . 62 PRO CA . 16496 1 1337 . 2 2 62 62 PRO CB C 13 31.964 0.500 . 1 . . . . 62 PRO CB . 16496 1 1338 . 2 2 62 62 PRO CD C 13 50.560 0.500 . 1 . . . . 62 PRO CD . 16496 1 1339 . 2 2 62 62 PRO CG C 13 27.040 0.500 . 1 . . . . 62 PRO CG . 16496 1 1340 . 2 2 63 63 LEU H H 1 7.910 0.030 . 1 . . . . 63 LEU H . 16496 1 1341 . 2 2 63 63 LEU HA H 1 4.069 0.030 . 1 . . . . 63 LEU HA . 16496 1 1342 . 2 2 63 63 LEU HB2 H 1 1.530 0.030 . 1 . . . . 63 LEU HB2 . 16496 1 1343 . 2 2 63 63 LEU HB3 H 1 1.350 0.030 . 1 . . . . 63 LEU HB3 . 16496 1 1344 . 2 2 63 63 LEU HD11 H 1 0.864 0.030 . 1 . . . . 63 LEU HD1 . 16496 1 1345 . 2 2 63 63 LEU HD12 H 1 0.864 0.030 . 1 . . . . 63 LEU HD1 . 16496 1 1346 . 2 2 63 63 LEU HD13 H 1 0.864 0.030 . 1 . . . . 63 LEU HD1 . 16496 1 1347 . 2 2 63 63 LEU HD21 H 1 0.779 0.030 . 1 . . . . 63 LEU HD2 . 16496 1 1348 . 2 2 63 63 LEU HD22 H 1 0.779 0.030 . 1 . . . . 63 LEU HD2 . 16496 1 1349 . 2 2 63 63 LEU HD23 H 1 0.779 0.030 . 1 . . . . 63 LEU HD2 . 16496 1 1350 . 2 2 63 63 LEU HG H 1 1.530 0.030 . 1 . . . . 63 LEU HG . 16496 1 1351 . 2 2 63 63 LEU C C 13 177.537 0.500 . 1 . . . . 63 LEU C . 16496 1 1352 . 2 2 63 63 LEU CA C 13 56.356 0.500 . 1 . . . . 63 LEU CA . 16496 1 1353 . 2 2 63 63 LEU CB C 13 41.376 0.500 . 1 . . . . 63 LEU CB . 16496 1 1354 . 2 2 63 63 LEU CD1 C 13 24.569 0.500 . 1 . . . . 63 LEU CD1 . 16496 1 1355 . 2 2 63 63 LEU CD2 C 13 23.038 0.500 . 1 . . . . 63 LEU CD2 . 16496 1 1356 . 2 2 63 63 LEU CG C 13 27.030 0.500 . 1 . . . . 63 LEU CG . 16496 1 1357 . 2 2 63 63 LEU N N 15 117.782 0.250 . 1 . . . . 63 LEU N . 16496 1 1358 . 2 2 64 64 TYR H H 1 7.462 0.030 . 1 . . . . 64 TYR H . 16496 1 1359 . 2 2 64 64 TYR HA H 1 4.314 0.030 . 1 . . . . 64 TYR HA . 16496 1 1360 . 2 2 64 64 TYR HB2 H 1 3.090 0.030 . 1 . . . . 64 TYR HB2 . 16496 1 1361 . 2 2 64 64 TYR HB3 H 1 2.903 0.030 . 1 . . . . 64 TYR HB3 . 16496 1 1362 . 2 2 64 64 TYR HD1 H 1 7.000 0.030 . 3 . . . . 64 TYR HD1 . 16496 1 1363 . 2 2 64 64 TYR HE1 H 1 6.300 0.030 . 3 . . . . 64 TYR HE1 . 16496 1 1364 . 2 2 64 64 TYR C C 13 176.447 0.500 . 1 . . . . 64 TYR C . 16496 1 1365 . 2 2 64 64 TYR CA C 13 58.832 0.500 . 1 . . . . 64 TYR CA . 16496 1 1366 . 2 2 64 64 TYR CB C 13 38.158 0.500 . 1 . . . . 64 TYR CB . 16496 1 1367 . 2 2 64 64 TYR N N 15 117.580 0.250 . 1 . . . . 64 TYR N . 16496 1 1368 . 2 2 65 65 LYS H H 1 7.695 0.030 . 1 . . . . 65 LYS H . 16496 1 1369 . 2 2 65 65 LYS HA H 1 4.055 0.030 . 1 . . . . 65 LYS HA . 16496 1 1370 . 2 2 65 65 LYS HB2 H 1 1.754 0.030 . 1 . . . . 65 LYS HB2 . 16496 1 1371 . 2 2 65 65 LYS HD2 H 1 1.580 0.030 . 1 . . . . 65 LYS HD2 . 16496 1 1372 . 2 2 65 65 LYS HE2 H 1 2.876 0.030 . 1 . . . . 65 LYS HE2 . 16496 1 1373 . 2 2 65 65 LYS HG2 H 1 1.380 0.030 . 1 . . . . 65 LYS HG2 . 16496 1 1374 . 2 2 65 65 LYS HG3 H 1 1.310 0.030 . 1 . . . . 65 LYS HG3 . 16496 1 1375 . 2 2 65 65 LYS C C 13 176.961 0.500 . 1 . . . . 65 LYS C . 16496 1 1376 . 2 2 65 65 LYS CA C 13 57.334 0.500 . 1 . . . . 65 LYS CA . 16496 1 1377 . 2 2 65 65 LYS CB C 13 32.422 0.500 . 1 . . . . 65 LYS CB . 16496 1 1378 . 2 2 65 65 LYS CD C 13 29.060 0.500 . 1 . . . . 65 LYS CD . 16496 1 1379 . 2 2 65 65 LYS CE C 13 41.822 0.500 . 1 . . . . 65 LYS CE . 16496 1 1380 . 2 2 65 65 LYS CG C 13 24.700 0.500 . 1 . . . . 65 LYS CG . 16496 1 1381 . 2 2 65 65 LYS N N 15 119.754 0.250 . 1 . . . . 65 LYS N . 16496 1 1382 . 2 2 66 66 GLU H H 1 7.906 0.030 . 1 . . . . 66 GLU H . 16496 1 1383 . 2 2 66 66 GLU HA H 1 4.146 0.030 . 1 . . . . 66 GLU HA . 16496 1 1384 . 2 2 66 66 GLU HB2 H 1 2.060 0.030 . 1 . . . . 66 GLU HB2 . 16496 1 1385 . 2 2 66 66 GLU HB3 H 1 1.980 0.030 . 1 . . . . 66 GLU HB3 . 16496 1 1386 . 2 2 66 66 GLU HG2 H 1 2.410 0.030 . 1 . . . . 66 GLU HG2 . 16496 1 1387 . 2 2 66 66 GLU C C 13 176.328 0.500 . 1 . . . . 66 GLU C . 16496 1 1388 . 2 2 66 66 GLU CA C 13 56.714 0.500 . 1 . . . . 66 GLU CA . 16496 1 1389 . 2 2 66 66 GLU CB C 13 28.300 0.500 . 1 . . . . 66 GLU CB . 16496 1 1390 . 2 2 66 66 GLU CG C 13 32.720 0.500 . 1 . . . . 66 GLU CG . 16496 1 1391 . 2 2 66 66 GLU N N 15 118.709 0.250 . 1 . . . . 66 GLU N . 16496 1 1392 . 2 2 67 67 ALA H H 1 7.987 0.030 . 1 . . . . 67 ALA H . 16496 1 1393 . 2 2 67 67 ALA HA H 1 4.213 0.030 . 1 . . . . 67 ALA HA . 16496 1 1394 . 2 2 67 67 ALA HB1 H 1 1.365 0.030 . 1 . . . . 67 ALA HB . 16496 1 1395 . 2 2 67 67 ALA HB2 H 1 1.365 0.030 . 1 . . . . 67 ALA HB . 16496 1 1396 . 2 2 67 67 ALA HB3 H 1 1.365 0.030 . 1 . . . . 67 ALA HB . 16496 1 1397 . 2 2 67 67 ALA C C 13 177.758 0.500 . 1 . . . . 67 ALA C . 16496 1 1398 . 2 2 67 67 ALA CA C 13 53.616 0.500 . 1 . . . . 67 ALA CA . 16496 1 1399 . 2 2 67 67 ALA CB C 13 18.890 0.500 . 1 . . . . 67 ALA CB . 16496 1 1400 . 2 2 67 67 ALA N N 15 122.589 0.250 . 1 . . . . 67 ALA N . 16496 1 1401 . 2 2 68 68 THR H H 1 7.695 0.030 . 1 . . . . 68 THR H . 16496 1 1402 . 2 2 68 68 THR HA H 1 4.178 0.030 . 1 . . . . 68 THR HA . 16496 1 1403 . 2 2 68 68 THR HB H 1 4.060 0.030 . 1 . . . . 68 THR HB . 16496 1 1404 . 2 2 68 68 THR HG21 H 1 1.060 0.030 . 1 . . . . 68 THR HG2 . 16496 1 1405 . 2 2 68 68 THR HG22 H 1 1.060 0.030 . 1 . . . . 68 THR HG2 . 16496 1 1406 . 2 2 68 68 THR HG23 H 1 1.060 0.030 . 1 . . . . 68 THR HG2 . 16496 1 1407 . 2 2 68 68 THR C C 13 174.799 0.500 . 1 . . . . 68 THR C . 16496 1 1408 . 2 2 68 68 THR CA C 13 62.265 0.500 . 1 . . . . 68 THR CA . 16496 1 1409 . 2 2 68 68 THR CB C 13 69.323 0.500 . 1 . . . . 68 THR CB . 16496 1 1410 . 2 2 68 68 THR CG2 C 13 21.409 0.500 . 1 . . . . 68 THR CG2 . 16496 1 1411 . 2 2 68 68 THR N N 15 109.543 0.250 . 1 . . . . 68 THR N . 16496 1 1412 . 2 2 69 69 SER H H 1 7.822 0.030 . 1 . . . . 69 SER H . 16496 1 1413 . 2 2 69 69 SER HA H 1 4.370 0.030 . 1 . . . . 69 SER HA . 16496 1 1414 . 2 2 69 69 SER HB2 H 1 3.830 0.030 . 1 . . . . 69 SER HB2 . 16496 1 1415 . 2 2 69 69 SER HB3 H 1 3.780 0.030 . 1 . . . . 69 SER HB3 . 16496 1 1416 . 2 2 69 69 SER C C 13 174.390 0.500 . 1 . . . . 69 SER C . 16496 1 1417 . 2 2 69 69 SER CA C 13 58.970 0.500 . 1 . . . . 69 SER CA . 16496 1 1418 . 2 2 69 69 SER CB C 13 63.743 0.500 . 1 . . . . 69 SER CB . 16496 1 1419 . 2 2 69 69 SER N N 15 116.584 0.250 . 1 . . . . 69 SER N . 16496 1 1420 . 2 2 70 70 THR H H 1 7.749 0.030 . 1 . . . . 70 THR H . 16496 1 1421 . 2 2 70 70 THR HA H 1 4.134 0.030 . 1 . . . . 70 THR HA . 16496 1 1422 . 2 2 70 70 THR HB H 1 4.030 0.030 . 1 . . . . 70 THR HB . 16496 1 1423 . 2 2 70 70 THR HG21 H 1 1.020 0.030 . 1 . . . . 70 THR HG2 . 16496 1 1424 . 2 2 70 70 THR HG22 H 1 1.020 0.030 . 1 . . . . 70 THR HG2 . 16496 1 1425 . 2 2 70 70 THR HG23 H 1 1.020 0.030 . 1 . . . . 70 THR HG2 . 16496 1 1426 . 2 2 70 70 THR C C 13 174.127 0.500 . 1 . . . . 70 THR C . 16496 1 1427 . 2 2 70 70 THR CA C 13 63.000 0.500 . 1 . . . . 70 THR CA . 16496 1 1428 . 2 2 70 70 THR CB C 13 69.266 0.500 . 1 . . . . 70 THR CB . 16496 1 1429 . 2 2 70 70 THR CG2 C 13 21.350 0.500 . 1 . . . . 70 THR CG2 . 16496 1 1430 . 2 2 70 70 THR N N 15 114.451 0.250 . 1 . . . . 70 THR N . 16496 1 1431 . 2 2 71 71 PHE H H 1 7.891 0.030 . 1 . . . . 71 PHE H . 16496 1 1432 . 2 2 71 71 PHE HA H 1 4.528 0.030 . 1 . . . . 71 PHE HA . 16496 1 1433 . 2 2 71 71 PHE HB2 H 1 3.140 0.030 . 1 . . . . 71 PHE HB2 . 16496 1 1434 . 2 2 71 71 PHE HB3 H 1 2.975 0.030 . 1 . . . . 71 PHE HB3 . 16496 1 1435 . 2 2 71 71 PHE HD1 H 1 7.080 0.030 . 3 . . . . 71 PHE HD1 . 16496 1 1436 . 2 2 71 71 PHE C C 13 175.572 0.500 . 1 . . . . 71 PHE C . 16496 1 1437 . 2 2 71 71 PHE CA C 13 58.530 0.500 . 1 . . . . 71 PHE CA . 16496 1 1438 . 2 2 71 71 PHE CB C 13 39.046 0.500 . 1 . . . . 71 PHE CB . 16496 1 1439 . 2 2 71 71 PHE N N 15 120.016 0.250 . 1 . . . . 71 PHE N . 16496 1 1440 . 2 2 72 72 THR H H 1 7.718 0.030 . 1 . . . . 72 THR H . 16496 1 1441 . 2 2 72 72 THR HA H 1 4.173 0.030 . 1 . . . . 72 THR HA . 16496 1 1442 . 2 2 72 72 THR HB H 1 4.140 0.030 . 1 . . . . 72 THR HB . 16496 1 1443 . 2 2 72 72 THR HG21 H 1 1.101 0.030 . 1 . . . . 72 THR HG2 . 16496 1 1444 . 2 2 72 72 THR HG22 H 1 1.101 0.030 . 1 . . . . 72 THR HG2 . 16496 1 1445 . 2 2 72 72 THR HG23 H 1 1.101 0.030 . 1 . . . . 72 THR HG2 . 16496 1 1446 . 2 2 72 72 THR C C 13 173.753 0.500 . 1 . . . . 72 THR C . 16496 1 1447 . 2 2 72 72 THR CA C 13 62.235 0.500 . 1 . . . . 72 THR CA . 16496 1 1448 . 2 2 72 72 THR CB C 13 69.355 0.500 . 1 . . . . 72 THR CB . 16496 1 1449 . 2 2 72 72 THR CG2 C 13 21.413 0.500 . 1 . . . . 72 THR CG2 . 16496 1 1450 . 2 2 72 72 THR N N 15 112.902 0.250 . 1 . . . . 72 THR N . 16496 1 1451 . 2 2 73 73 ASN H H 1 7.980 0.030 . 1 . . . . 73 ASN H . 16496 1 1452 . 2 2 73 73 ASN HA H 1 4.609 0.030 . 1 . . . . 73 ASN HA . 16496 1 1453 . 2 2 73 73 ASN HB2 H 1 2.740 0.030 . 1 . . . . 73 ASN HB2 . 16496 1 1454 . 2 2 73 73 ASN HB3 H 1 2.690 0.030 . 1 . . . . 73 ASN HB3 . 16496 1 1455 . 2 2 73 73 ASN HD21 H 1 6.642 0.030 . 1 . . . . 73 ASN HD21 . 16496 1 1456 . 2 2 73 73 ASN HD22 H 1 7.339 0.030 . 1 . . . . 73 ASN HD22 . 16496 1 1457 . 2 2 73 73 ASN C C 13 175.032 0.500 . 1 . . . . 73 ASN C . 16496 1 1458 . 2 2 73 73 ASN CA C 13 53.662 0.500 . 1 . . . . 73 ASN CA . 16496 1 1459 . 2 2 73 73 ASN CB C 13 38.666 0.500 . 1 . . . . 73 ASN CB . 16496 1 1460 . 2 2 73 73 ASN N N 15 119.715 0.250 . 1 . . . . 73 ASN N . 16496 1 1461 . 2 2 73 73 ASN ND2 N 15 111.243 0.250 . 1 . . . . 73 ASN ND2 . 16496 1 1462 . 2 2 74 74 ILE H H 1 7.793 0.030 . 1 . . . . 74 ILE H . 16496 1 1463 . 2 2 74 74 ILE HA H 1 4.067 0.030 . 1 . . . . 74 ILE HA . 16496 1 1464 . 2 2 74 74 ILE HB H 1 1.818 0.030 . 1 . . . . 74 ILE HB . 16496 1 1465 . 2 2 74 74 ILE HD11 H 1 0.800 0.030 . 1 . . . . 74 ILE HD1 . 16496 1 1466 . 2 2 74 74 ILE HD12 H 1 0.800 0.030 . 1 . . . . 74 ILE HD1 . 16496 1 1467 . 2 2 74 74 ILE HD13 H 1 0.800 0.030 . 1 . . . . 74 ILE HD1 . 16496 1 1468 . 2 2 74 74 ILE HG12 H 1 1.411 0.030 . 1 . . . . 74 ILE HG12 . 16496 1 1469 . 2 2 74 74 ILE HG13 H 1 1.122 0.030 . 1 . . . . 74 ILE HG13 . 16496 1 1470 . 2 2 74 74 ILE HG21 H 1 0.800 0.030 . 1 . . . . 74 ILE HG2 . 16496 1 1471 . 2 2 74 74 ILE HG22 H 1 0.800 0.030 . 1 . . . . 74 ILE HG2 . 16496 1 1472 . 2 2 74 74 ILE HG23 H 1 0.800 0.030 . 1 . . . . 74 ILE HG2 . 16496 1 1473 . 2 2 74 74 ILE C C 13 175.683 0.500 . 1 . . . . 74 ILE C . 16496 1 1474 . 2 2 74 74 ILE CA C 13 61.700 0.500 . 1 . . . . 74 ILE CA . 16496 1 1475 . 2 2 74 74 ILE CB C 13 38.420 0.500 . 1 . . . . 74 ILE CB . 16496 1 1476 . 2 2 74 74 ILE CD1 C 13 13.175 0.500 . 1 . . . . 74 ILE CD1 . 16496 1 1477 . 2 2 74 74 ILE CG1 C 13 27.039 0.500 . 1 . . . . 74 ILE CG1 . 16496 1 1478 . 2 2 74 74 ILE CG2 C 13 17.410 0.500 . 1 . . . . 74 ILE CG2 . 16496 1 1479 . 2 2 74 74 ILE N N 15 119.088 0.250 . 1 . . . . 74 ILE N . 16496 1 1480 . 2 2 75 75 THR H H 1 7.734 0.030 . 1 . . . . 75 THR H . 16496 1 1481 . 2 2 75 75 THR HA H 1 4.149 0.030 . 1 . . . . 75 THR HA . 16496 1 1482 . 2 2 75 75 THR HB H 1 4.020 0.030 . 1 . . . . 75 THR HB . 16496 1 1483 . 2 2 75 75 THR HG21 H 1 1.005 0.030 . 1 . . . . 75 THR HG2 . 16496 1 1484 . 2 2 75 75 THR HG22 H 1 1.005 0.030 . 1 . . . . 75 THR HG2 . 16496 1 1485 . 2 2 75 75 THR HG23 H 1 1.005 0.030 . 1 . . . . 75 THR HG2 . 16496 1 1486 . 2 2 75 75 THR C C 13 173.959 0.500 . 1 . . . . 75 THR C . 16496 1 1487 . 2 2 75 75 THR CA C 13 62.152 0.500 . 1 . . . . 75 THR CA . 16496 1 1488 . 2 2 75 75 THR CB C 13 69.468 0.500 . 1 . . . . 75 THR CB . 16496 1 1489 . 2 2 75 75 THR CG2 C 13 21.364 0.500 . 1 . . . . 75 THR CG2 . 16496 1 1490 . 2 2 75 75 THR N N 15 115.213 0.250 . 1 . . . . 75 THR N . 16496 1 1491 . 2 2 76 76 TYR H H 1 7.799 0.030 . 1 . . . . 76 TYR H . 16496 1 1492 . 2 2 76 76 TYR HA H 1 4.440 0.030 . 1 . . . . 76 TYR HA . 16496 1 1493 . 2 2 76 76 TYR HB2 H 1 2.971 0.030 . 1 . . . . 76 TYR HB2 . 16496 1 1494 . 2 2 76 76 TYR HB3 H 1 2.880 0.030 . 1 . . . . 76 TYR HB3 . 16496 1 1495 . 2 2 76 76 TYR HD1 H 1 7.050 0.030 . 3 . . . . 76 TYR HD1 . 16496 1 1496 . 2 2 76 76 TYR HE1 H 1 7.340 0.030 . 3 . . . . 76 TYR HE1 . 16496 1 1497 . 2 2 76 76 TYR C C 13 175.238 0.500 . 1 . . . . 76 TYR C . 16496 1 1498 . 2 2 76 76 TYR CA C 13 58.381 0.500 . 1 . . . . 76 TYR CA . 16496 1 1499 . 2 2 76 76 TYR CB C 13 38.392 0.500 . 1 . . . . 76 TYR CB . 16496 1 1500 . 2 2 76 76 TYR N N 15 120.917 0.250 . 1 . . . . 76 TYR N . 16496 1 1501 . 2 2 77 77 ARG H H 1 7.830 0.030 . 1 . . . . 77 ARG H . 16496 1 1502 . 2 2 77 77 ARG HA H 1 4.204 0.030 . 1 . . . . 77 ARG HA . 16496 1 1503 . 2 2 77 77 ARG HB2 H 1 1.781 0.030 . 1 . . . . 77 ARG HB2 . 16496 1 1504 . 2 2 77 77 ARG HB3 H 1 1.624 0.030 . 1 . . . . 77 ARG HB3 . 16496 1 1505 . 2 2 77 77 ARG HD2 H 1 3.079 0.030 . 1 . . . . 77 ARG HD2 . 16496 1 1506 . 2 2 77 77 ARG HG2 H 1 1.501 0.030 . 1 . . . . 77 ARG HG2 . 16496 1 1507 . 2 2 77 77 ARG C C 13 175.583 0.500 . 1 . . . . 77 ARG C . 16496 1 1508 . 2 2 77 77 ARG CA C 13 55.840 0.500 . 1 . . . . 77 ARG CA . 16496 1 1509 . 2 2 77 77 ARG CB C 13 30.527 0.500 . 1 . . . . 77 ARG CB . 16496 1 1510 . 2 2 77 77 ARG CD C 13 43.000 0.500 . 1 . . . . 77 ARG CD . 16496 1 1511 . 2 2 77 77 ARG CG C 13 26.840 0.500 . 1 . . . . 77 ARG CG . 16496 1 1512 . 2 2 77 77 ARG N N 15 121.283 0.250 . 1 . . . . 77 ARG N . 16496 1 1513 . 2 2 78 78 GLY H H 1 7.623 0.030 . 1 . . . . 78 GLY H . 16496 1 1514 . 2 2 78 78 GLY HA2 H 1 3.870 0.030 . 1 . . . . 78 GLY HA2 . 16496 1 1515 . 2 2 78 78 GLY C C 13 173.288 0.500 . 1 . . . . 78 GLY C . 16496 1 1516 . 2 2 78 78 GLY CA C 13 44.941 0.500 . 1 . . . . 78 GLY CA . 16496 1 1517 . 2 2 78 78 GLY N N 15 107.561 0.250 . 1 . . . . 78 GLY N . 16496 1 1518 . 2 2 79 79 THR H H 1 7.608 0.030 . 1 . . . . 79 THR H . 16496 1 1519 . 2 2 79 79 THR HA H 1 4.390 0.030 . 1 . . . . 79 THR HA . 16496 1 1520 . 2 2 79 79 THR HB H 1 4.290 0.030 . 1 . . . . 79 THR HB . 16496 1 1521 . 2 2 79 79 THR HG21 H 1 1.120 0.030 . 1 . . . . 79 THR HG2 . 16496 1 1522 . 2 2 79 79 THR HG22 H 1 1.120 0.030 . 1 . . . . 79 THR HG2 . 16496 1 1523 . 2 2 79 79 THR HG23 H 1 1.120 0.030 . 1 . . . . 79 THR HG2 . 16496 1 1524 . 2 2 79 79 THR C C 13 175.714 0.500 . 1 . . . . 79 THR C . 16496 1 1525 . 2 2 79 79 THR CA C 13 60.510 0.500 . 1 . . . . 79 THR CA . 16496 1 1526 . 2 2 79 79 THR CB C 13 69.810 0.500 . 1 . . . . 79 THR CB . 16496 1 1527 . 2 2 79 79 THR CG2 C 13 21.650 0.500 . 1 . . . . 79 THR CG2 . 16496 1 1528 . 2 2 79 79 THR N N 15 110.698 0.250 . 1 . . . . 79 THR N . 16496 1 stop_ save_