data_15531 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15531 _Entry.Title ; 1H 13C and 15N chemical shift for human Granulocyte Macrophage Colony-Stimulating Factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-10-18 _Entry.Accession_date 2007-10-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.109 _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 Simon Sauve . . . 15531 2 Genevieve Gingras . . . 15531 3 Yves Aubin . . . 15531 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Aubin Group, Centre for Biologics Research, Health Canada' . 15531 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15531 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 474 15531 '15N chemical shifts' 122 15531 '1H chemical shifts' 554 15531 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 3 . . 2009-08-13 2007-10-18 update BMRB 'added PubMed ID' 15531 2 . . 2008-06-04 2007-10-18 update BMRB 'complete entry citation' 15531 1 . . 2007-12-10 2007-10-18 original author 'original release' 15531 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15531 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636911 _Citation.Full_citation . _Citation.Title 'NMR assignment of human granulocyte-macrophage colony-stimulating factor' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 2 _Citation.Journal_issue 1 _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 5 _Citation.Page_last 7 _Citation.Year 2008 _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 Simon Sauve . . . 15531 1 2 Genevieve Gingras . . . 15531 1 3 Yves Aubin . . . 15531 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Granulocyte-macrophage colony-stimulating factor' 15531 1 NMR 15531 1 'protein characterization' 15531 1 'recombinant protein therapeutics' 15531 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15531 _Assembly.ID 1 _Assembly.Name rhGM-CSF _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 14477 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'molecule 1' 1 $rhGM-CSF A . yes native yes no . . . 15531 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 54 54 SG . 1 . 1 CYS 96 96 SG . . . . . . . . . . 15531 1 2 disulfide single . 1 . 1 CYS 88 88 SG . 1 . 1 CYS 121 121 SG . . . . . . . . . . 15531 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rhGM-CSF _Entity.Sf_category entity _Entity.Sf_framecode rhGM-CSF _Entity.Entry_ID 15531 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name rhGM-CSF _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; APARSPSPSTQPWEHVNAIQ EARRLLNLSRDTAAEMNETV EVISEMFDLQEPTCLQTRLE LYKQGLRGSLTKLKGPLTMM ASHYKQHCPPTPETSCATQI ITFESFKENLKDFLLVIPFD CWEPVQE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 127 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14477.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1CSG . "Three-Dimensional Structure Of Recombinant Human Granulocyte-Macrophage Colony-Stimulating Factor" . . . . . 100.00 127 100.00 100.00 4.08e-88 . . . . 15531 1 2 no PDB 2GMF . "Human Granulocyte Macrophage Colony Stimulating Factor" . . . . . 100.00 127 100.00 100.00 4.08e-88 . . . . 15531 1 3 no PDB 4NKQ . "Structure Of A Cytokine Receptor Complex" . . . . . 100.00 127 100.00 100.00 4.08e-88 . . . . 15531 1 4 no PDB 4RS1 . "Crystal Structure Of Receptor-cytokine Complex" . . . . . 88.19 112 100.00 100.00 2.01e-76 . . . . 15531 1 5 no PDB 5C7X . "Crystal Structure Of Mor04357, A Neutralizing Anti-human Gm-csf Antibody Fab Fragment In Complex With Human Gm-csf" . . . . . 100.00 127 100.00 100.00 4.08e-88 . . . . 15531 1 6 no PDB 5D70 . "Crystal Structure Of Mor03929, A Neutralizing Anti-human Gm-csf Antibody Fab Fragment In Complex With Human Gm-csf" . . . . . 100.00 127 100.00 100.00 4.08e-88 . . . . 15531 1 7 no PDB 5D71 . "Crystal Structure Of Mor04302, A Neutralizing Anti-human Gm-csf Antibody Fab Fragment In Complex With Human Gm-csf" . . . . . 100.00 144 100.00 100.00 5.09e-88 . . . . 15531 1 8 no PDB 5D72 . "Crystal Structure Of Mor04252, A Neutralizing Anti-human Gm-csf Antibody Fab Fragment In Complex With Human Gm-csf" . . . . . 97.64 141 100.00 100.00 7.46e-86 . . . . 15531 1 9 no DBJ BAI23240 . "human granulocyte-macrophage colony stimulating factor [eukaryotic synthetic construct]" . . . . . 100.00 144 100.00 100.00 5.09e-88 . . . . 15531 1 10 no DBJ BAJ21159 . "colony stimulating factor 2 [synthetic construct]" . . . . . 100.00 144 100.00 100.00 5.09e-88 . . . . 15531 1 11 no EMBL CAA26822 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 144 100.00 100.00 5.09e-88 . . . . 15531 1 12 no GB AAA52121 . "colony-stimulating factor [Homo sapiens]" . . . . . 100.00 144 99.21 99.21 3.83e-87 . . . . 15531 1 13 no GB AAA52122 . "granulocyte/macrophage colony-stimulating factor [Homo sapiens]" . . . . . 100.00 144 100.00 100.00 5.09e-88 . . . . 15531 1 14 no GB AAA52578 . "GM-CSF [Homo sapiens]" . . . . . 100.00 144 100.00 100.00 5.09e-88 . . . . 15531 1 15 no GB AAA98768 . "granulocyte-macrophage colony-stimulating factor [Homo sapiens]" . . . . . 100.00 144 100.00 100.00 5.09e-88 . . . . 15531 1 16 no GB AAC08707 . "CSF1 [Homo sapiens]" . . . . . 100.00 144 99.21 99.21 3.83e-87 . . . . 15531 1 17 no REF NP_000749 . "granulocyte-macrophage colony-stimulating factor precursor [Homo sapiens]" . . . . . 100.00 144 100.00 100.00 5.09e-88 . . . . 15531 1 18 no REF XP_002815902 . "PREDICTED: granulocyte-macrophage colony-stimulating factor [Pongo abelii]" . . . . . 100.00 144 97.64 99.21 3.48e-86 . . . . 15531 1 19 no REF XP_003829363 . "PREDICTED: granulocyte-macrophage colony-stimulating factor [Pan paniscus]" . . . . . 100.00 144 98.43 99.21 6.00e-87 . . . . 15531 1 20 no REF XP_004042512 . "PREDICTED: granulocyte-macrophage colony-stimulating factor [Gorilla gorilla gorilla]" . . . . . 100.00 144 99.21 100.00 2.50e-87 . . . . 15531 1 21 no REF XP_527005 . "PREDICTED: granulocyte-macrophage colony-stimulating factor [Pan troglodytes]" . . . . . 100.00 144 98.43 99.21 6.00e-87 . . . . 15531 1 22 no SP P04141 . "RecName: Full=Granulocyte-macrophage colony-stimulating factor; Short=GM-CSF; AltName: Full=Colony-stimulating factor; Short=CS" . . . . . 100.00 144 100.00 100.00 5.09e-88 . . . . 15531 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'hematopoietic cell growth factor' 15531 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 . ALA . 15531 1 2 . PRO . 15531 1 3 . ALA . 15531 1 4 . ARG . 15531 1 5 . SER . 15531 1 6 . PRO . 15531 1 7 . SER . 15531 1 8 . PRO . 15531 1 9 . SER . 15531 1 10 . THR . 15531 1 11 . GLN . 15531 1 12 . PRO . 15531 1 13 . TRP . 15531 1 14 . GLU . 15531 1 15 . HIS . 15531 1 16 . VAL . 15531 1 17 . ASN . 15531 1 18 . ALA . 15531 1 19 . ILE . 15531 1 20 . GLN . 15531 1 21 . GLU . 15531 1 22 . ALA . 15531 1 23 . ARG . 15531 1 24 . ARG . 15531 1 25 . LEU . 15531 1 26 . LEU . 15531 1 27 . ASN . 15531 1 28 . LEU . 15531 1 29 . SER . 15531 1 30 . ARG . 15531 1 31 . ASP . 15531 1 32 . THR . 15531 1 33 . ALA . 15531 1 34 . ALA . 15531 1 35 . GLU . 15531 1 36 . MET . 15531 1 37 . ASN . 15531 1 38 . GLU . 15531 1 39 . THR . 15531 1 40 . VAL . 15531 1 41 . GLU . 15531 1 42 . VAL . 15531 1 43 . ILE . 15531 1 44 . SER . 15531 1 45 . GLU . 15531 1 46 . MET . 15531 1 47 . PHE . 15531 1 48 . ASP . 15531 1 49 . LEU . 15531 1 50 . GLN . 15531 1 51 . GLU . 15531 1 52 . PRO . 15531 1 53 . THR . 15531 1 54 . CYS . 15531 1 55 . LEU . 15531 1 56 . GLN . 15531 1 57 . THR . 15531 1 58 . ARG . 15531 1 59 . LEU . 15531 1 60 . GLU . 15531 1 61 . LEU . 15531 1 62 . TYR . 15531 1 63 . LYS . 15531 1 64 . GLN . 15531 1 65 . GLY . 15531 1 66 . LEU . 15531 1 67 . ARG . 15531 1 68 . GLY . 15531 1 69 . SER . 15531 1 70 . LEU . 15531 1 71 . THR . 15531 1 72 . LYS . 15531 1 73 . LEU . 15531 1 74 . LYS . 15531 1 75 . GLY . 15531 1 76 . PRO . 15531 1 77 . LEU . 15531 1 78 . THR . 15531 1 79 . MET . 15531 1 80 . MET . 15531 1 81 . ALA . 15531 1 82 . SER . 15531 1 83 . HIS . 15531 1 84 . TYR . 15531 1 85 . LYS . 15531 1 86 . GLN . 15531 1 87 . HIS . 15531 1 88 . CYS . 15531 1 89 . PRO . 15531 1 90 . PRO . 15531 1 91 . THR . 15531 1 92 . PRO . 15531 1 93 . GLU . 15531 1 94 . THR . 15531 1 95 . SER . 15531 1 96 . CYS . 15531 1 97 . ALA . 15531 1 98 . THR . 15531 1 99 . GLN . 15531 1 100 . ILE . 15531 1 101 . ILE . 15531 1 102 . THR . 15531 1 103 . PHE . 15531 1 104 . GLU . 15531 1 105 . SER . 15531 1 106 . PHE . 15531 1 107 . LYS . 15531 1 108 . GLU . 15531 1 109 . ASN . 15531 1 110 . LEU . 15531 1 111 . LYS . 15531 1 112 . ASP . 15531 1 113 . PHE . 15531 1 114 . LEU . 15531 1 115 . LEU . 15531 1 116 . VAL . 15531 1 117 . ILE . 15531 1 118 . PRO . 15531 1 119 . PHE . 15531 1 120 . ASP . 15531 1 121 . CYS . 15531 1 122 . TRP . 15531 1 123 . GLU . 15531 1 124 . PRO . 15531 1 125 . VAL . 15531 1 126 . GLN . 15531 1 127 . GLU . 15531 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 . ALA 1 1 15531 1 . PRO 2 2 15531 1 . ALA 3 3 15531 1 . ARG 4 4 15531 1 . SER 5 5 15531 1 . PRO 6 6 15531 1 . SER 7 7 15531 1 . PRO 8 8 15531 1 . SER 9 9 15531 1 . THR 10 10 15531 1 . GLN 11 11 15531 1 . PRO 12 12 15531 1 . TRP 13 13 15531 1 . GLU 14 14 15531 1 . HIS 15 15 15531 1 . VAL 16 16 15531 1 . ASN 17 17 15531 1 . ALA 18 18 15531 1 . ILE 19 19 15531 1 . GLN 20 20 15531 1 . GLU 21 21 15531 1 . ALA 22 22 15531 1 . ARG 23 23 15531 1 . ARG 24 24 15531 1 . LEU 25 25 15531 1 . LEU 26 26 15531 1 . ASN 27 27 15531 1 . LEU 28 28 15531 1 . SER 29 29 15531 1 . ARG 30 30 15531 1 . ASP 31 31 15531 1 . THR 32 32 15531 1 . ALA 33 33 15531 1 . ALA 34 34 15531 1 . GLU 35 35 15531 1 . MET 36 36 15531 1 . ASN 37 37 15531 1 . GLU 38 38 15531 1 . THR 39 39 15531 1 . VAL 40 40 15531 1 . GLU 41 41 15531 1 . VAL 42 42 15531 1 . ILE 43 43 15531 1 . SER 44 44 15531 1 . GLU 45 45 15531 1 . MET 46 46 15531 1 . PHE 47 47 15531 1 . ASP 48 48 15531 1 . LEU 49 49 15531 1 . GLN 50 50 15531 1 . GLU 51 51 15531 1 . PRO 52 52 15531 1 . THR 53 53 15531 1 . CYS 54 54 15531 1 . LEU 55 55 15531 1 . GLN 56 56 15531 1 . THR 57 57 15531 1 . ARG 58 58 15531 1 . LEU 59 59 15531 1 . GLU 60 60 15531 1 . LEU 61 61 15531 1 . TYR 62 62 15531 1 . LYS 63 63 15531 1 . GLN 64 64 15531 1 . GLY 65 65 15531 1 . LEU 66 66 15531 1 . ARG 67 67 15531 1 . GLY 68 68 15531 1 . SER 69 69 15531 1 . LEU 70 70 15531 1 . THR 71 71 15531 1 . LYS 72 72 15531 1 . LEU 73 73 15531 1 . LYS 74 74 15531 1 . GLY 75 75 15531 1 . PRO 76 76 15531 1 . LEU 77 77 15531 1 . THR 78 78 15531 1 . MET 79 79 15531 1 . MET 80 80 15531 1 . ALA 81 81 15531 1 . SER 82 82 15531 1 . HIS 83 83 15531 1 . TYR 84 84 15531 1 . LYS 85 85 15531 1 . GLN 86 86 15531 1 . HIS 87 87 15531 1 . CYS 88 88 15531 1 . PRO 89 89 15531 1 . PRO 90 90 15531 1 . THR 91 91 15531 1 . PRO 92 92 15531 1 . GLU 93 93 15531 1 . THR 94 94 15531 1 . SER 95 95 15531 1 . CYS 96 96 15531 1 . ALA 97 97 15531 1 . THR 98 98 15531 1 . GLN 99 99 15531 1 . ILE 100 100 15531 1 . ILE 101 101 15531 1 . THR 102 102 15531 1 . PHE 103 103 15531 1 . GLU 104 104 15531 1 . SER 105 105 15531 1 . PHE 106 106 15531 1 . LYS 107 107 15531 1 . GLU 108 108 15531 1 . ASN 109 109 15531 1 . LEU 110 110 15531 1 . LYS 111 111 15531 1 . ASP 112 112 15531 1 . PHE 113 113 15531 1 . LEU 114 114 15531 1 . LEU 115 115 15531 1 . VAL 116 116 15531 1 . ILE 117 117 15531 1 . PRO 118 118 15531 1 . PHE 119 119 15531 1 . ASP 120 120 15531 1 . CYS 121 121 15531 1 . TRP 122 122 15531 1 . GLU 123 123 15531 1 . PRO 124 124 15531 1 . VAL 125 125 15531 1 . GLN 126 126 15531 1 . GLU 127 127 15531 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15531 _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 $rhGM-CSF . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15531 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 15531 _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 $rhGM-CSF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b10 . . . . . . 15531 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15531 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.4 mM rhGM-CSF 2 mM sodium phosphate 1 mM DSS 5% D2O pH 7.4 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 rhGM-CSF '[U-99% 13C; U-99% 15N]' . . 1 $rhGM-CSF . . 400 . . uM . . . . 15531 1 2 'sodium phosphate' 'natural abundance' . . . . . . 2 . . mM . . . . 15531 1 3 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 15531 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15531 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15531 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 2 . mM 15531 1 pH 7.4 . pH 15531 1 pressure 1 . atm 15531 1 temperature 298 . K 15531 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15531 _Software.ID 1 _Software.Name NMRPipe _Software.Version 3.0 _Software.Details 'NMR spectra processing and displaying software' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15531 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15531 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15531 _Software.ID 2 _Software.Name NMRView _Software.Version 7.0.16 _Software.Details 'Visualization and analysis of NMR Data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15531 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15531 2 'data analysis' 15531 2 'peak picking' 15531 2 stop_ save_ save_Smartnotebook _Software.Sf_category software _Software.Sf_framecode Smartnotebook _Software.Entry_ID 15531 _Software.ID 3 _Software.Name Smartnotebook _Software.Version 5.0.6 _Software.Details 'software for protein sequential NMR asignments' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brian Sykes' . . 15531 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15531 3 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 15531 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details ; Health Canada triple resonance cryoprobe ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15531 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details ; IRIC Montreal triple resonance cryoprobe ; _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15531 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details ; Health Canada triple resonance cryoprobe ; _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15531 _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 . 700 ; Health Canada triple resonance cryoprobe ; . . 15531 1 2 spectrometer_2 Varian INOVA . 600 ; IRIC Montreal triple resonance cryoprobe ; . . 15531 1 3 spectrometer_3 Bruker 'Avance III' . 600 ; Health Canada triple resonance cryoprobe ; . . 15531 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 15531 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15531 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15531 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15531 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15531 1 5 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15531 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15531 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15531 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15531 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15531 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15531 1 11 '3D C(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15531 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15531 1 13 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15531 1 14 '3D C(CO)NH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15531 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 15531 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15531 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15531 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15531 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15531 _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 2 '3D HNCACB' . . . 15531 1 3 '3D CBCA(CO)NH' . . . 15531 1 4 '3D HNCO' . . . 15531 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.500 . . . . . . . 2 P HA . 15531 1 2 . 1 1 2 2 PRO HB2 H 1 2.371 . . . . . . . 2 P HB1 . 15531 1 3 . 1 1 2 2 PRO HB3 H 1 1.919 . . . . . . . 2 P HB2 . 15531 1 4 . 1 1 2 2 PRO CA C 13 62.820 . . . . . . . 2 P CA . 15531 1 5 . 1 1 2 2 PRO CB C 13 31.790 . . . . . . . 2 P CB . 15531 1 6 . 1 1 3 3 ALA H H 1 8.568 . . . . . . . 3 A HN . 15531 1 7 . 1 1 3 3 ALA HA H 1 4.318 . . . . . . . 3 A HA . 15531 1 8 . 1 1 3 3 ALA HB1 H 1 1.415 . . . . . . . 3 A HB1 . 15531 1 9 . 1 1 3 3 ALA HB2 H 1 1.415 . . . . . . . 3 A HB1 . 15531 1 10 . 1 1 3 3 ALA HB3 H 1 1.415 . . . . . . . 3 A HB1 . 15531 1 11 . 1 1 3 3 ALA C C 13 177.627 . . . . . . . 3 A C . 15531 1 12 . 1 1 3 3 ALA CA C 13 52.282 . . . . . . . 3 A CA . 15531 1 13 . 1 1 3 3 ALA CB C 13 18.909 . . . . . . . 3 A CB . 15531 1 14 . 1 1 3 3 ALA N N 15 125.126 . . . . . . . 3 A N . 15531 1 15 . 1 1 4 4 ARG H H 1 8.430 . . . . . . . 4 R HN . 15531 1 16 . 1 1 4 4 ARG HA H 1 4.372 . . . . . . . 4 R HA . 15531 1 17 . 1 1 4 4 ARG HB2 H 1 1.852 . . . . . . . 4 R HB1 . 15531 1 18 . 1 1 4 4 ARG C C 13 179.636 . . . . . . . 4 R C . 15531 1 19 . 1 1 4 4 ARG CA C 13 55.794 . . . . . . . 4 R CA . 15531 1 20 . 1 1 4 4 ARG CB C 13 31.204 . . . . . . . 4 R CB . 15531 1 21 . 1 1 4 4 ARG CD C 13 43.263 . . 1 . . . . 4 R CD . 15531 1 22 . 1 1 4 4 ARG CG C 13 26.971 . . 1 . . . . 4 R CG . 15531 1 23 . 1 1 4 4 ARG N N 15 120.614 . . . . . . . 4 R N . 15531 1 24 . 1 1 5 5 SER H H 1 8.492 . . . . . . . 5 S HN . 15531 1 25 . 1 1 5 5 SER HA H 1 4.192 . . . . . . . 5 S HA . 15531 1 26 . 1 1 5 5 SER CA C 13 59.950 . . . . . . . 5 S CA . 15531 1 27 . 1 1 5 5 SER CB C 13 63.463 . . . . . . . 5 S CB . 15531 1 28 . 1 1 5 5 SER N N 15 119.088 . . . . . . . 5 S N . 15531 1 29 . 1 1 6 6 PRO HA H 1 4.482 . . . . . . . 6 P HA . 15531 1 30 . 1 1 6 6 PRO HB2 H 1 2.323 . . . . . . . 6 P HB1 . 15531 1 31 . 1 1 6 6 PRO HB3 H 1 1.975 . . . . . . . 6 P HB2 . 15531 1 32 . 1 1 6 6 PRO C C 13 177.018 . . . . . . . 6 P C . 15531 1 33 . 1 1 6 6 PRO CA C 13 63.406 . . . . . . . 6 P CA . 15531 1 34 . 1 1 6 6 PRO CB C 13 31.790 . . . . . . . 6 P CB . 15531 1 35 . 1 1 6 6 PRO CD C 13 50.766 . . . . . . . 6 P CD . 15531 1 36 . 1 1 6 6 PRO CG C 13 27.339 . . . . . . . 6 P CG . 15531 1 37 . 1 1 7 7 SER H H 1 8.426 . . . . . . . 7 S HN . 15531 1 38 . 1 1 7 7 SER CA C 13 58.779 . . . . . . . 7 S CA . 15531 1 39 . 1 1 7 7 SER CB C 13 64.048 . . . . . . . 7 S CB . 15531 1 40 . 1 1 7 7 SER N N 15 115.560 . . . . . . . 7 S N . 15531 1 41 . 1 1 8 8 PRO HA H 1 4.504 . . . . . . . 8 P HA . 15531 1 42 . 1 1 8 8 PRO HB2 H 1 2.311 . . . . . . . 8 P HB1 . 15531 1 43 . 1 1 8 8 PRO HB3 H 1 1.947 . . . . . . . 8 P HB2 . 15531 1 44 . 1 1 8 8 PRO C C 13 176.651 . . . . . . . 8 P C . 15531 1 45 . 1 1 8 8 PRO CA C 13 62.820 . . . . . . . 8 P CA . 15531 1 46 . 1 1 8 8 PRO CB C 13 31.790 . . . . . . . 8 P CB . 15531 1 47 . 1 1 9 9 SER H H 1 8.452 . . . . . . . 9 S HN . 15531 1 48 . 1 1 9 9 SER HA H 1 4.492 . . . . . . . 9 S HA . 15531 1 49 . 1 1 9 9 SER HB2 H 1 3.885 . . . . . . . 9 S HB1 . 15531 1 50 . 1 1 9 9 SER C C 13 174.878 . . . . . . . 9 S C . 15531 1 51 . 1 1 9 9 SER CA C 13 58.136 . . . . . . . 9 S CA . 15531 1 52 . 1 1 9 9 SER CB C 13 63.406 . . . . . . . 9 S CB . 15531 1 53 . 1 1 9 9 SER N N 15 117.615 . . . . . . . 9 S N . 15531 1 54 . 1 1 10 10 THR H H 1 8.150 . . . . . . . 10 T HN . 15531 1 55 . 1 1 10 10 THR HA H 1 4.390 . . . . . . . 10 T HA . 15531 1 56 . 1 1 10 10 THR HB H 1 4.196 . . . . . . . 10 T HB . 15531 1 57 . 1 1 10 10 THR HG21 H 1 1.192 . . . . . . . 10 T HG21 . 15531 1 58 . 1 1 10 10 THR HG22 H 1 1.192 . . . . . . . 10 T HG21 . 15531 1 59 . 1 1 10 10 THR HG23 H 1 1.192 . . . . . . . 10 T HG21 . 15531 1 60 . 1 1 10 10 THR C C 13 174.265 . . . . . . . 10 T C . 15531 1 61 . 1 1 10 10 THR CA C 13 61.649 . . . . . . . 10 T CA . 15531 1 62 . 1 1 10 10 THR CB C 13 69.846 . . . . . . . 10 T CB . 15531 1 63 . 1 1 10 10 THR CG2 C 13 21.659 . . . . . . . 10 T CG2 . 15531 1 64 . 1 1 10 10 THR N N 15 115.216 . . . . . . . 10 T N . 15531 1 65 . 1 1 11 11 GLN H H 1 8.220 . . . . . . . 11 Q HN . 15531 1 66 . 1 1 11 11 GLN HA H 1 4.164 . . . . . . . 11 Q HA . 15531 1 67 . 1 1 11 11 GLN HE21 H 1 6.881 . . . . . . . 11 Q HE21 . 15531 1 68 . 1 1 11 11 GLN HE22 H 1 7.205 . . . . . . . 11 Q HE22 . 15531 1 69 . 1 1 11 11 GLN CA C 13 55.910 . . 1 . . . . 11 Q CA . 15531 1 70 . 1 1 11 11 GLN CB C 13 33.018 . . . . . . . 11 Q CB . 15531 1 71 . 1 1 11 11 GLN N N 15 123.201 . . . . . . . 11 Q N . 15531 1 72 . 1 1 11 11 GLN NE2 N 15 110.036 . . . . . . . 11 Q NE2 . 15531 1 73 . 1 1 12 12 PRO HA H 1 4.529 . . . . . . . 12 P HA . 15531 1 74 . 1 1 12 12 PRO HB2 H 1 2.438 . . . . . . . 12 P HB1 . 15531 1 75 . 1 1 12 12 PRO HB3 H 1 2.183 . . . . . . . 12 P HB2 . 15531 1 76 . 1 1 12 12 PRO C C 13 178.423 . . . . . . . 12 P C . 15531 1 77 . 1 1 12 12 PRO CA C 13 63.991 . . . . . . . 12 P CA . 15531 1 78 . 1 1 12 12 PRO CB C 13 31.790 . . . . . . . 12 P CB . 15531 1 79 . 1 1 12 12 PRO CD C 13 50.605 . . . . . . . 12 P CD . 15531 1 80 . 1 1 12 12 PRO CG C 13 28.263 . . . . . . . 12 P CG . 15531 1 81 . 1 1 13 13 TRP H H 1 9.024 . . . . . . . 13 W HN . 15531 1 82 . 1 1 13 13 TRP HA H 1 4.824 . . . . . . . 13 W HA . 15531 1 83 . 1 1 13 13 TRP C C 13 177.617 . . . . . . . 13 W C . 15531 1 84 . 1 1 13 13 TRP CA C 13 55.266 . . . . . . . 13 W CA . 15531 1 85 . 1 1 13 13 TRP CB C 13 28.920 . . . . . . . 13 W CB . 15531 1 86 . 1 1 13 13 TRP N N 15 124.366 . . . . . . . 13 W N . 15531 1 87 . 1 1 14 14 GLU H H 1 8.507 . . . . . . . 14 E HN . 15531 1 88 . 1 1 14 14 GLU HA H 1 4.338 . . . . . . . 14 E HA . 15531 1 89 . 1 1 14 14 GLU HB2 H 1 1.971 . . . . . . . 14 E HB1 . 15531 1 90 . 1 1 14 14 GLU C C 13 175.882 . . . . . . . 14 E C . 15531 1 91 . 1 1 14 14 GLU CA C 13 59.332 . . 1 . . . . 14 E CA . 15531 1 92 . 1 1 14 14 GLU CB C 13 29.487 . . 1 . . . . 14 E CB . 15531 1 93 . 1 1 14 14 GLU CG C 13 34.009 . . 1 . . . . 14 E CG . 15531 1 94 . 1 1 14 14 GLU N N 15 121.679 . . . . . . . 14 E N . 15531 1 95 . 1 1 15 15 HIS H H 1 8.364 . . . . . . . 15 H HN . 15531 1 96 . 1 1 15 15 HIS HA H 1 4.242 . . . . . . . 15 H HA . 15531 1 97 . 1 1 15 15 HIS HB2 H 1 2.425 . . . . . . . 15 H HB1 . 15531 1 98 . 1 1 15 15 HIS C C 13 175.956 . . . . . . . 15 H C . 15531 1 99 . 1 1 15 15 HIS CA C 13 58.722 . . . . . . . 15 H CA . 15531 1 100 . 1 1 15 15 HIS CB C 13 30.033 . . . . . . . 15 H CB . 15531 1 101 . 1 1 15 15 HIS N N 15 123.430 . . . . . . . 15 H N . 15531 1 102 . 1 1 16 16 VAL H H 1 6.863 . . . . . . . 16 V HN . 15531 1 103 . 1 1 16 16 VAL HA H 1 3.013 . . . . . . . 16 V HA . 15531 1 104 . 1 1 16 16 VAL HB H 1 1.736 . . . . . . . 16 V HB . 15531 1 105 . 1 1 16 16 VAL HG11 H 1 0.238 . . . . . . . 16 V HG11 . 15531 1 106 . 1 1 16 16 VAL HG12 H 1 0.238 . . . . . . . 16 V HG11 . 15531 1 107 . 1 1 16 16 VAL HG13 H 1 0.238 . . . . . . . 16 V HG11 . 15531 1 108 . 1 1 16 16 VAL HG21 H 1 0.394 . . . . . . . 16 V HG21 . 15531 1 109 . 1 1 16 16 VAL HG22 H 1 0.394 . . . . . . . 16 V HG21 . 15531 1 110 . 1 1 16 16 VAL HG23 H 1 0.394 . . . . . . . 16 V HG21 . 15531 1 111 . 1 1 16 16 VAL C C 13 177.810 . . . . . . . 16 V C . 15531 1 112 . 1 1 16 16 VAL CA C 13 65.748 . . . . . . . 16 V CA . 15531 1 113 . 1 1 16 16 VAL CB C 13 31.204 . . . . . . . 16 V CB . 15531 1 114 . 1 1 16 16 VAL CG1 C 13 21.518 . . . . . . . 16 V CG1 . 15531 1 115 . 1 1 16 16 VAL CG2 C 13 20.315 . . . . . . . 16 V CG2 . 15531 1 116 . 1 1 16 16 VAL N N 15 120.589 . . . . . . . 16 V N . 15531 1 117 . 1 1 17 17 ASN H H 1 7.860 . . . . . . . 17 N HN . 15531 1 118 . 1 1 17 17 ASN HA H 1 4.338 . . . . . . . 17 N HA . 15531 1 119 . 1 1 17 17 ASN HB2 H 1 2.674 . . . . . . . 17 N HB1 . 15531 1 120 . 1 1 17 17 ASN HD21 H 1 6.933 . . . . . . . 17 N HD21 . 15531 1 121 . 1 1 17 17 ASN HD22 H 1 7.573 . . . . . . . 17 N HD22 . 15531 1 122 . 1 1 17 17 ASN C C 13 177.246 . . . . . . . 17 N C . 15531 1 123 . 1 1 17 17 ASN CA C 13 55.794 . . . . . . . 17 N CA . 15531 1 124 . 1 1 17 17 ASN CB C 13 38.230 . . . . . . . 17 N CB . 15531 1 125 . 1 1 17 17 ASN N N 15 116.751 . . . . . . . 17 N N . 15531 1 126 . 1 1 17 17 ASN ND2 N 15 112.519 . . . . . . . 17 N ND2 . 15531 1 127 . 1 1 18 18 ALA H H 1 7.699 . . . . . . . 18 A HN . 15531 1 128 . 1 1 18 18 ALA HA H 1 4.195 . . . . . . . 18 A HA . 15531 1 129 . 1 1 18 18 ALA HB1 H 1 1.625 . . . . . . . 18 A HB1 . 15531 1 130 . 1 1 18 18 ALA HB2 H 1 1.625 . . . . . . . 18 A HB1 . 15531 1 131 . 1 1 18 18 ALA HB3 H 1 1.625 . . . . . . . 18 A HB1 . 15531 1 132 . 1 1 18 18 ALA C C 13 179.140 . . . . . . . 18 A C . 15531 1 133 . 1 1 18 18 ALA CA C 13 55.794 . . . . . . . 18 A CA . 15531 1 134 . 1 1 18 18 ALA CB C 13 18.324 . . . . . . . 18 A CB . 15531 1 135 . 1 1 18 18 ALA N N 15 122.654 . . . . . . . 18 A N . 15531 1 136 . 1 1 19 19 ILE H H 1 8.050 . . . . . . . 19 I HN . 15531 1 137 . 1 1 19 19 ILE HA H 1 3.584 . . . . . . . 19 I HA . 15531 1 138 . 1 1 19 19 ILE HB H 1 1.840 . . . . . . . 19 I HB . 15531 1 139 . 1 1 19 19 ILE HD11 H 1 0.948 . . . . . . . 19 I HD11 . 15531 1 140 . 1 1 19 19 ILE HD12 H 1 0.948 . . . . . . . 19 I HD11 . 15531 1 141 . 1 1 19 19 ILE HD13 H 1 0.948 . . . . . . . 19 I HD11 . 15531 1 142 . 1 1 19 19 ILE HG12 H 1 1.466 . . . . . . . 19 I HG11 . 15531 1 143 . 1 1 19 19 ILE HG13 H 1 1.261 . . . . . . . 19 I HG12 . 15531 1 144 . 1 1 19 19 ILE HG21 H 1 0.837 . . . . . . . 19 I HG21 . 15531 1 145 . 1 1 19 19 ILE HG22 H 1 0.837 . . . . . . . 19 I HG21 . 15531 1 146 . 1 1 19 19 ILE HG23 H 1 0.837 . . . . . . . 19 I HG21 . 15531 1 147 . 1 1 19 19 ILE C C 13 178.272 . . . . . . . 19 I C . 15531 1 148 . 1 1 19 19 ILE CA C 13 65.748 . . . . . . . 19 I CA . 15531 1 149 . 1 1 19 19 ILE CB C 13 38.230 . . . . . . . 19 I CB . 15531 1 150 . 1 1 19 19 ILE CD1 C 13 14.143 . . . . . . . 19 I CD1 . 15531 1 151 . 1 1 19 19 ILE CG1 C 13 29.910 . . . . . . . 19 I CG1 . 15531 1 152 . 1 1 19 19 ILE CG2 C 13 17.214 . . . . . . . 19 I CG2 . 15531 1 153 . 1 1 19 19 ILE N N 15 118.935 . . . . . . . 19 I N . 15531 1 154 . 1 1 20 20 GLN H H 1 8.276 . . . . . . . 20 Q HN . 15531 1 155 . 1 1 20 20 GLN HA H 1 4.096 . . . . . . . 20 Q HA . 15531 1 156 . 1 1 20 20 GLN HB2 H 1 2.211 . . . . . . . 20 Q HB1 . 15531 1 157 . 1 1 20 20 GLN HB3 H 1 2.116 . . . . . . . 20 Q HB2 . 15531 1 158 . 1 1 20 20 GLN HE21 H 1 6.943 . . . . . . . 20 Q HE21 . 15531 1 159 . 1 1 20 20 GLN HE22 H 1 7.080 . . . . . . . 20 Q HE22 . 15531 1 160 . 1 1 20 20 GLN C C 13 179.654 . . . . . . . 20 Q C . 15531 1 161 . 1 1 20 20 GLN CA C 13 59.307 . . . . . . . 20 Q CA . 15531 1 162 . 1 1 20 20 GLN CB C 13 27.692 . . . . . . . 20 Q CB . 15531 1 163 . 1 1 20 20 GLN CG C 13 33.704 . . . . . . . 20 Q CG . 15531 1 164 . 1 1 20 20 GLN N N 15 117.270 . . . . . . . 20 Q N . 15531 1 165 . 1 1 20 20 GLN NE2 N 15 110.950 . . . . . . . 20 Q NE2 . 15531 1 166 . 1 1 21 21 GLU H H 1 8.682 . . . . . . . 21 E HN . 15531 1 167 . 1 1 21 21 GLU HA H 1 4.340 . . . . . . . 21 E HA . 15531 1 168 . 1 1 21 21 GLU HB2 H 1 2.176 . . . . . . . 21 E HB1 . 15531 1 169 . 1 1 21 21 GLU HB3 H 1 2.010 . . . . . . . 21 E HB2 . 15531 1 170 . 1 1 21 21 GLU C C 13 178.187 . . . . . . . 21 E C . 15531 1 171 . 1 1 21 21 GLU CA C 13 58.722 . . . . . . . 21 E CA . 15531 1 172 . 1 1 21 21 GLU CB C 13 29.448 . . . . . . . 21 E CB . 15531 1 173 . 1 1 21 21 GLU CG C 13 35.358 . . . . . . . 21 E CG . 15531 1 174 . 1 1 21 21 GLU N N 15 121.592 . . . . . . . 21 E N . 15531 1 175 . 1 1 22 22 ALA H H 1 8.593 . . . . . . . 22 A HN . 15531 1 176 . 1 1 22 22 ALA HA H 1 3.994 . . . . . . . 22 A HA . 15531 1 177 . 1 1 22 22 ALA HB1 H 1 1.467 . . . . . . . 22 A HB1 . 15531 1 178 . 1 1 22 22 ALA HB2 H 1 1.467 . . . . . . . 22 A HB1 . 15531 1 179 . 1 1 22 22 ALA HB3 H 1 1.467 . . . . . . . 22 A HB1 . 15531 1 180 . 1 1 22 22 ALA C C 13 178.868 . . . . . . . 22 A C . 15531 1 181 . 1 1 22 22 ALA CA C 13 55.209 . . . . . . . 22 A CA . 15531 1 182 . 1 1 22 22 ALA CB C 13 18.324 . . . . . . . 22 A CB . 15531 1 183 . 1 1 22 22 ALA N N 15 121.773 . . . . . . . 22 A N . 15531 1 184 . 1 1 23 23 ARG H H 1 8.343 . . . . . . . 23 R HN . 15531 1 185 . 1 1 23 23 ARG HA H 1 3.810 . . . . . . . 23 R HA . 15531 1 186 . 1 1 23 23 ARG HB2 H 1 1.922 . . . . . . . 23 R HB1 . 15531 1 187 . 1 1 23 23 ARG C C 13 178.831 . . . . . . . 23 R C . 15531 1 188 . 1 1 23 23 ARG CA C 13 59.893 . . . . . . . 23 R CA . 15531 1 189 . 1 1 23 23 ARG CB C 13 30.619 . . . . . . . 23 R CB . 15531 1 190 . 1 1 23 23 ARG CD C 13 44.256 . . . . . . . 23 R CD . 15531 1 191 . 1 1 23 23 ARG CG C 13 28.168 . . . . . . . 23 R CG . 15531 1 192 . 1 1 23 23 ARG N N 15 114.959 . . . . . . . 23 R N . 15531 1 193 . 1 1 24 24 ARG H H 1 7.937 . . . . . . . 24 R HN . 15531 1 194 . 1 1 24 24 ARG HA H 1 4.046 . . . . . . . 24 R HA . 15531 1 195 . 1 1 24 24 ARG HB2 H 1 1.998 . . . . . . . 24 R HB1 . 15531 1 196 . 1 1 24 24 ARG C C 13 179.114 . . . . . . . 24 R C . 15531 1 197 . 1 1 24 24 ARG CA C 13 59.307 . . . . . . . 24 R CA . 15531 1 198 . 1 1 24 24 ARG CB C 13 30.619 . . . . . . . 24 R CB . 15531 1 199 . 1 1 24 24 ARG CD C 13 43.127 . . . . . . . 24 R CD . 15531 1 200 . 1 1 24 24 ARG CG C 13 27.723 . . . . . . . 24 R CG . 15531 1 201 . 1 1 24 24 ARG N N 15 120.130 . . . . . . . 24 R N . 15531 1 202 . 1 1 25 25 LEU H H 1 8.661 . . . . . . . 25 L HN . 15531 1 203 . 1 1 25 25 LEU HA H 1 4.009 . . . . . . . 25 L HA . 15531 1 204 . 1 1 25 25 LEU HD11 H 1 0.838 . . . . . . . 25 L HD11 . 15531 1 205 . 1 1 25 25 LEU HD12 H 1 0.838 . . . . . . . 25 L HD11 . 15531 1 206 . 1 1 25 25 LEU HD13 H 1 0.838 . . . . . . . 25 L HD11 . 15531 1 207 . 1 1 25 25 LEU HG H 1 1.841 . . . . . . . 25 L HG . 15531 1 208 . 1 1 25 25 LEU C C 13 175.184 . . . . . . . 25 L C . 15531 1 209 . 1 1 25 25 LEU CA C 13 57.608 . . . . . . . 25 L CA . 15531 1 210 . 1 1 25 25 LEU CB C 13 42.385 . . . . . . . 25 L CB . 15531 1 211 . 1 1 25 25 LEU CD1 C 13 24.613 . . 1 . . . . 25 L CD1 . 15531 1 212 . 1 1 25 25 LEU CG C 13 27.760 . . 1 . . . . 25 L CG . 15531 1 213 . 1 1 25 25 LEU N N 15 118.880 . . . . . . . 25 L N . 15531 1 214 . 1 1 26 26 LEU H H 1 7.877 . . . . . . . 26 L HN . 15531 1 215 . 1 1 26 26 LEU HA H 1 4.030 . . . . . . . 26 L HA . 15531 1 216 . 1 1 26 26 LEU HB2 H 1 1.889 . . . . . . . 26 L HB1 . 15531 1 217 . 1 1 26 26 LEU HB3 H 1 1.611 . . . . . . . 26 L HB2 . 15531 1 218 . 1 1 26 26 LEU HD11 H 1 0.682 . . . . . . . 26 L HD11 . 15531 1 219 . 1 1 26 26 LEU HD12 H 1 0.682 . . . . . . . 26 L HD11 . 15531 1 220 . 1 1 26 26 LEU HD13 H 1 0.682 . . . . . . . 26 L HD11 . 15531 1 221 . 1 1 26 26 LEU HG H 1 1.650 . . . . . . . 26 L HG . 15531 1 222 . 1 1 26 26 LEU C C 13 179.155 . . . . . . . 26 L C . 15531 1 223 . 1 1 26 26 LEU CA C 13 58.136 . . . . . . . 26 L CA . 15531 1 224 . 1 1 26 26 LEU CB C 13 41.743 . . . . . . . 26 L CB . 15531 1 225 . 1 1 26 26 LEU CD1 C 13 25.356 . . 1 . . . . 26 L CD1 . 15531 1 226 . 1 1 26 26 LEU CG C 13 27.615 . . . . . . . 26 L CG . 15531 1 227 . 1 1 26 26 LEU N N 15 120.782 . . . . . . . 26 L N . 15531 1 228 . 1 1 27 27 ASN H H 1 7.777 . . . . . . . 27 N HN . 15531 1 229 . 1 1 27 27 ASN HA H 1 4.563 . . . . . . . 27 N HA . 15531 1 230 . 1 1 27 27 ASN HB2 H 1 2.928 . . . . . . . 27 N HB1 . 15531 1 231 . 1 1 27 27 ASN HD21 H 1 6.941 . . . . . . . 27 N HD21 . 15531 1 232 . 1 1 27 27 ASN HD22 H 1 7.616 . . . . . . . 27 N HD22 . 15531 1 233 . 1 1 27 27 ASN C C 13 176.796 . . . . . . . 27 N C . 15531 1 234 . 1 1 27 27 ASN CA C 13 55.794 . . . . . . . 27 N CA . 15531 1 235 . 1 1 27 27 ASN CB C 13 38.816 . . . . . . . 27 N CB . 15531 1 236 . 1 1 27 27 ASN N N 15 117.492 . . . . . . . 27 N N . 15531 1 237 . 1 1 27 27 ASN ND2 N 15 112.909 . . . . . . . 27 N ND2 . 15531 1 238 . 1 1 28 28 LEU H H 1 7.605 . . . . . . . 28 L HN . 15531 1 239 . 1 1 28 28 LEU HA H 1 4.362 . . . . . . . 28 L HA . 15531 1 240 . 1 1 28 28 LEU HB2 H 1 1.821 . . . . . . . 28 L HB1 . 15531 1 241 . 1 1 28 28 LEU HB3 H 1 1.741 . . . . . . . 28 L HB2 . 15531 1 242 . 1 1 28 28 LEU HD11 H 1 0.849 . . . . . . . 28 L HD11 . 15531 1 243 . 1 1 28 28 LEU HD12 H 1 0.849 . . . . . . . 28 L HD11 . 15531 1 244 . 1 1 28 28 LEU HD13 H 1 0.849 . . . . . . . 28 L HD11 . 15531 1 245 . 1 1 28 28 LEU HD21 H 1 0.930 . . . . . . . 28 L HD21 . 15531 1 246 . 1 1 28 28 LEU HD22 H 1 0.930 . . . . . . . 28 L HD21 . 15531 1 247 . 1 1 28 28 LEU HD23 H 1 0.930 . . . . . . . 28 L HD21 . 15531 1 248 . 1 1 28 28 LEU C C 13 177.752 . . . . . . . 28 L C . 15531 1 249 . 1 1 28 28 LEU CA C 13 55.794 . . . . . . . 28 L CA . 15531 1 250 . 1 1 28 28 LEU CB C 13 42.914 . . . . . . . 28 L CB . 15531 1 251 . 1 1 28 28 LEU CD1 C 13 25.538 . . . . . . . 28 L CD1 . 15531 1 252 . 1 1 28 28 LEU CD2 C 13 23.098 . . . . . . . 28 L CD2 . 15531 1 253 . 1 1 28 28 LEU CG C 13 29.369 . . . . . . . 28 L CG . 15531 1 254 . 1 1 28 28 LEU N N 15 118.055 . . . . . . . 28 L N . 15531 1 255 . 1 1 29 29 SER H H 1 7.484 . . . . . . . 29 S HN . 15531 1 256 . 1 1 29 29 SER HA H 1 4.426 . . . . . . . 29 S HA . 15531 1 257 . 1 1 29 29 SER HB2 H 1 4.063 . . . . . . . 29 S HB1 . 15531 1 258 . 1 1 29 29 SER C C 13 174.744 . . . . . . . 29 S C . 15531 1 259 . 1 1 29 29 SER CA C 13 59.307 . . . . . . . 29 S CA . 15531 1 260 . 1 1 29 29 SER CB C 13 63.406 . . . . . . . 29 S CB . 15531 1 261 . 1 1 29 29 SER N N 15 115.498 . . . . . . . 29 S N . 15531 1 262 . 1 1 30 30 ARG H H 1 8.211 . . . . . . . 30 R HN . 15531 1 263 . 1 1 30 30 ARG HA H 1 4.530 . . . . . . . 30 R HA . 15531 1 264 . 1 1 30 30 ARG HB2 H 1 1.941 . . . . . . . 30 R HB1 . 15531 1 265 . 1 1 30 30 ARG C C 13 175.702 . . . . . . . 30 R C . 15531 1 266 . 1 1 30 30 ARG CA C 13 55.794 . . . . . . . 30 R CA . 15531 1 267 . 1 1 30 30 ARG CB C 13 30.912 . . . . . . . 30 R CB . 15531 1 268 . 1 1 30 30 ARG CD C 13 43.333 . . . . . . . 30 R CD . 15531 1 269 . 1 1 30 30 ARG CG C 13 26.839 . . . . . . . 30 R CG . 15531 1 270 . 1 1 30 30 ARG N N 15 124.674 . . . . . . . 30 R N . 15531 1 271 . 1 1 31 31 ASP H H 1 8.466 . . . . . . . 31 D HN . 15531 1 272 . 1 1 31 31 ASP HA H 1 4.945 . . . . . . . 31 D HA . 15531 1 273 . 1 1 31 31 ASP HB2 H 1 2.883 . . . . . . . 31 D HB1 . 15531 1 274 . 1 1 31 31 ASP HB3 H 1 2.624 . . . . . . . 31 D HB2 . 15531 1 275 . 1 1 31 31 ASP C C 13 176.340 . . . . . . . 31 D C . 15531 1 276 . 1 1 31 31 ASP CA C 13 54.331 . . . . . . . 31 D CA . 15531 1 277 . 1 1 31 31 ASP CB C 13 41.743 . . . . . . . 31 D CB . 15531 1 278 . 1 1 31 31 ASP N N 15 120.999 . . . . . . . 31 D N . 15531 1 279 . 1 1 32 32 THR H H 1 8.258 . . . . . . . 32 T HN . 15531 1 280 . 1 1 32 32 THR HA H 1 4.494 . . . . . . . 32 T HA . 15531 1 281 . 1 1 32 32 THR HB H 1 4.497 . . . . . . . 32 T HB . 15531 1 282 . 1 1 32 32 THR HG21 H 1 1.344 . . . . . . . 32 T HG21 . 15531 1 283 . 1 1 32 32 THR HG22 H 1 1.344 . . . . . . . 32 T HG21 . 15531 1 284 . 1 1 32 32 THR HG23 H 1 1.344 . . . . . . . 32 T HG21 . 15531 1 285 . 1 1 32 32 THR C C 13 174.651 . . . . . . . 32 T C . 15531 1 286 . 1 1 32 32 THR CA C 13 63.991 . . . . . . . 32 T CA . 15531 1 287 . 1 1 32 32 THR CB C 13 70.139 . . . . . . . 32 T CB . 15531 1 288 . 1 1 32 32 THR CG2 C 13 19.408 . . . . . . . 32 T CG2 . 15531 1 289 . 1 1 32 32 THR N N 15 114.380 . . . . . . . 32 T N . 15531 1 290 . 1 1 33 33 ALA H H 1 8.634 . . 1 . . . . 33 A HN . 15531 1 291 . 1 1 33 33 ALA HA H 1 4.321 . . . . . . . 33 A HA . 15531 1 292 . 1 1 33 33 ALA HB1 H 1 1.428 . . . . . . . 33 A HB1 . 15531 1 293 . 1 1 33 33 ALA HB2 H 1 1.428 . . . . . . . 33 A HB1 . 15531 1 294 . 1 1 33 33 ALA HB3 H 1 1.428 . . . . . . . 33 A HB1 . 15531 1 295 . 1 1 33 33 ALA C C 13 177.716 . . . . . . . 33 A C . 15531 1 296 . 1 1 33 33 ALA CA C 13 54.123 . . 1 . . . . 33 A CA . 15531 1 297 . 1 1 33 33 ALA CB C 13 18.992 . . 1 . . . . 33 A CB . 15531 1 298 . 1 1 33 33 ALA N N 15 126.287 . . . . . . . 33 A N . 15531 1 299 . 1 1 34 34 ALA H H 1 8.145 . . 1 . . . . 34 A HN . 15531 1 300 . 1 1 34 34 ALA HA H 1 4.300 . . . . . . . 34 A HA . 15531 1 301 . 1 1 34 34 ALA HB1 H 1 1.412 . . . . . . . 34 A HB1 . 15531 1 302 . 1 1 34 34 ALA HB2 H 1 1.412 . . . . . . . 34 A HB1 . 15531 1 303 . 1 1 34 34 ALA HB3 H 1 1.412 . . . . . . . 34 A HB1 . 15531 1 304 . 1 1 34 34 ALA C C 13 178.045 . . . . . . . 34 A C . 15531 1 305 . 1 1 34 34 ALA CA C 13 55.240 . . 1 . . . . 34 A CA . 15531 1 306 . 1 1 34 34 ALA CB C 13 18.909 . . . . . . . 34 A CB . 15531 1 307 . 1 1 34 34 ALA N N 15 122.836 . . . . . . . 34 A N . 15531 1 308 . 1 1 35 35 GLU H H 1 8.306 . . . . . . . 35 E HN . 15531 1 309 . 1 1 35 35 GLU HA H 1 4.232 . . . . . . . 35 E HA . 15531 1 310 . 1 1 35 35 GLU HB2 H 1 1.992 . . . . . . . 35 E HB1 . 15531 1 311 . 1 1 35 35 GLU HB3 H 1 1.913 . . . . . . . 35 E HB2 . 15531 1 312 . 1 1 35 35 GLU C C 13 177.252 . . . . . . . 35 E C . 15531 1 313 . 1 1 35 35 GLU CA C 13 57.551 . . . . . . . 35 E CA . 15531 1 314 . 1 1 35 35 GLU CB C 13 30.033 . . . . . . . 35 E CB . 15531 1 315 . 1 1 35 35 GLU CG C 13 36.664 . . . . . . . 35 E CG . 15531 1 316 . 1 1 35 35 GLU N N 15 119.407 . . . . . . . 35 E N . 15531 1 317 . 1 1 36 36 MET H H 1 8.033 . . . . . . . 36 M HN . 15531 1 318 . 1 1 36 36 MET HA H 1 4.126 . . . . . . . 36 M HA . 15531 1 319 . 1 1 36 36 MET HB2 H 1 2.035 . . . . . . . 36 M HB1 . 15531 1 320 . 1 1 36 36 MET C C 13 175.999 . . . . . . . 36 M C . 15531 1 321 . 1 1 36 36 MET CA C 13 62.100 . . 1 . . . . 36 M CA . 15531 1 322 . 1 1 36 36 MET CB C 13 32.432 . . . . . . . 36 M CB . 15531 1 323 . 1 1 36 36 MET CE C 13 21.000 . . 1 . . . . 36 M CE . 15531 1 324 . 1 1 36 36 MET N N 15 117.873 . . . . . . . 36 M N . 15531 1 325 . 1 1 37 37 ASN H H 1 8.381 . . . . . . . 37 N HN . 15531 1 326 . 1 1 37 37 ASN HA H 1 4.874 . . . . . . . 37 N HA . 15531 1 327 . 1 1 37 37 ASN HB2 H 1 2.952 . . . . . . . 37 N HB1 . 15531 1 328 . 1 1 37 37 ASN HB3 H 1 2.796 . . . . . . . 37 N HB2 . 15531 1 329 . 1 1 37 37 ASN HD21 H 1 6.942 . . . . . . . 37 N HD21 . 15531 1 330 . 1 1 37 37 ASN HD22 H 1 7.470 . . . . . . . 37 N HD22 . 15531 1 331 . 1 1 37 37 ASN C C 13 175.253 . . . . . . . 37 N C . 15531 1 332 . 1 1 37 37 ASN CA C 13 53.204 . . 1 . . . . 37 N CA . 15531 1 333 . 1 1 37 37 ASN CB C 13 38.873 . . . . . . . 37 N CB . 15531 1 334 . 1 1 37 37 ASN N N 15 126.091 . . . . . . . 37 N N . 15531 1 335 . 1 1 37 37 ASN ND2 N 15 110.524 . . . . . . . 37 N ND2 . 15531 1 336 . 1 1 38 38 GLU H H 1 7.816 . . . . . . . 38 E HN . 15531 1 337 . 1 1 38 38 GLU HA H 1 4.435 . . . . . . . 38 E HA . 15531 1 338 . 1 1 38 38 GLU HB2 H 1 2.009 . . . . . . . 38 E HB1 . 15531 1 339 . 1 1 38 38 GLU C C 13 176.089 . . . . . . . 38 E C . 15531 1 340 . 1 1 38 38 GLU CA C 13 56.380 . . . . . . . 38 E CA . 15531 1 341 . 1 1 38 38 GLU CB C 13 30.619 . . . . . . . 38 E CB . 15531 1 342 . 1 1 38 38 GLU CG C 13 36.382 . . . . . . . 38 E CG . 15531 1 343 . 1 1 38 38 GLU N N 15 120.811 . . . . . . . 38 E N . 15531 1 344 . 1 1 39 39 THR H H 1 8.257 . . . . . . . 39 T HN . 15531 1 345 . 1 1 39 39 THR HA H 1 5.025 . . 1 . . . . 39 T HA . 15531 1 346 . 1 1 39 39 THR HB H 1 4.140 . . . . . . . 39 T HB . 15531 1 347 . 1 1 39 39 THR HG21 H 1 1.066 . . . . . . . 39 T HG21 . 15531 1 348 . 1 1 39 39 THR HG22 H 1 1.066 . . . . . . . 39 T HG21 . 15531 1 349 . 1 1 39 39 THR HG23 H 1 1.066 . . . . . . . 39 T HG21 . 15531 1 350 . 1 1 39 39 THR C C 13 174.220 . . . . . . . 39 T C . 15531 1 351 . 1 1 39 39 THR CA C 13 59.893 . . . . . . . 39 T CA . 15531 1 352 . 1 1 39 39 THR CB C 13 71.017 . . . . . . . 39 T CB . 15531 1 353 . 1 1 39 39 THR CG2 C 13 21.675 . . . . . . . 39 T CG2 . 15531 1 354 . 1 1 39 39 THR N N 15 112.667 . . . . . . . 39 T N . 15531 1 355 . 1 1 40 40 VAL H H 1 9.138 . . . . . . . 40 V HN . 15531 1 356 . 1 1 40 40 VAL HA H 1 4.567 . . . . . . . 40 V HA . 15531 1 357 . 1 1 40 40 VAL HB H 1 1.936 . . . . . . . 40 V HB . 15531 1 358 . 1 1 40 40 VAL HG11 H 1 0.680 . . . . . . . 40 V HG11 . 15531 1 359 . 1 1 40 40 VAL HG12 H 1 0.680 . . . . . . . 40 V HG11 . 15531 1 360 . 1 1 40 40 VAL HG13 H 1 0.680 . . . . . . . 40 V HG11 . 15531 1 361 . 1 1 40 40 VAL HG21 H 1 0.555 . . . . . . . 40 V HG21 . 15531 1 362 . 1 1 40 40 VAL HG22 H 1 0.555 . . . . . . . 40 V HG21 . 15531 1 363 . 1 1 40 40 VAL HG23 H 1 0.555 . . . . . . . 40 V HG21 . 15531 1 364 . 1 1 40 40 VAL C C 13 173.173 . . . . . . . 40 V C . 15531 1 365 . 1 1 40 40 VAL CA C 13 59.893 . . . . . . . 40 V CA . 15531 1 366 . 1 1 40 40 VAL CB C 13 35.888 . . . . . . . 40 V CB . 15531 1 367 . 1 1 40 40 VAL CG1 C 13 22.276 . . . . . . . 40 V CG1 . 15531 1 368 . 1 1 40 40 VAL CG2 C 13 20.009 . . . . . . . 40 V CG2 . 15531 1 369 . 1 1 40 40 VAL N N 15 116.325 . . . . . . . 40 V N . 15531 1 370 . 1 1 41 41 GLU H H 1 7.917 . . . . . . . 41 E HN . 15531 1 371 . 1 1 41 41 GLU HA H 1 5.134 . . . . . . . 41 E HA . 15531 1 372 . 1 1 41 41 GLU HB2 H 1 1.887 . . . . . . . 41 E HB1 . 15531 1 373 . 1 1 41 41 GLU HB3 H 1 1.794 . . . . . . . 41 E HB2 . 15531 1 374 . 1 1 41 41 GLU C C 13 175.575 . . . . . . . 41 E C . 15531 1 375 . 1 1 41 41 GLU CA C 13 55.209 . . . . . . . 41 E CA . 15531 1 376 . 1 1 41 41 GLU CB C 13 31.790 . . . . . . . 41 E CB . 15531 1 377 . 1 1 41 41 GLU CG C 13 36.685 . . . . . . . 41 E CG . 15531 1 378 . 1 1 41 41 GLU N N 15 123.611 . . . . . . . 41 E N . 15531 1 379 . 1 1 42 42 VAL H H 1 8.647 . . . . . . . 42 V HN . 15531 1 380 . 1 1 42 42 VAL HA H 1 4.274 . . . . . . . 42 V HA . 15531 1 381 . 1 1 42 42 VAL HB H 1 2.032 . . . . . . . 42 V HB . 15531 1 382 . 1 1 42 42 VAL HG21 H 1 0.919 . . . . . . . 42 V HG21 . 15531 1 383 . 1 1 42 42 VAL HG22 H 1 0.919 . . . . . . . 42 V HG21 . 15531 1 384 . 1 1 42 42 VAL HG23 H 1 0.919 . . . . . . . 42 V HG21 . 15531 1 385 . 1 1 42 42 VAL C C 13 176.059 . . . . . . . 42 V C . 15531 1 386 . 1 1 42 42 VAL CA C 13 62.235 . . . . . . . 42 V CA . 15531 1 387 . 1 1 42 42 VAL CB C 13 32.961 . . . . . . . 42 V CB . 15531 1 388 . 1 1 42 42 VAL CG2 C 13 20.982 . . . . . . . 42 V CG2 . 15531 1 389 . 1 1 42 42 VAL N N 15 114.050 . . . . . . . 42 V N . 15531 1 390 . 1 1 43 43 ILE H H 1 8.390 . . . . . . . 43 I HN . 15531 1 391 . 1 1 43 43 ILE HA H 1 4.321 . . . . . . . 43 I HA . 15531 1 392 . 1 1 43 43 ILE HB H 1 1.781 . . . . . . . 43 I HB . 15531 1 393 . 1 1 43 43 ILE HD11 H 1 0.607 . . . . . . . 43 I HD11 . 15531 1 394 . 1 1 43 43 ILE HD12 H 1 0.607 . . . . . . . 43 I HD11 . 15531 1 395 . 1 1 43 43 ILE HD13 H 1 0.607 . . . . . . . 43 I HD11 . 15531 1 396 . 1 1 43 43 ILE HG12 H 1 1.260 . . . . . . . 43 I HG12 . 15531 1 397 . 1 1 43 43 ILE HG21 H 1 1.028 . . . . . . . 43 I HG21 . 15531 1 398 . 1 1 43 43 ILE HG22 H 1 1.028 . . . . . . . 43 I HG21 . 15531 1 399 . 1 1 43 43 ILE HG23 H 1 1.028 . . . . . . . 43 I HG21 . 15531 1 400 . 1 1 43 43 ILE C C 13 177.956 . . . . . . . 43 I C . 15531 1 401 . 1 1 43 43 ILE CA C 13 58.813 . . . . . . . 43 I CA . 15531 1 402 . 1 1 43 43 ILE CB C 13 35.888 . . . . . . . 43 I CB . 15531 1 403 . 1 1 43 43 ILE CD1 C 13 11.609 . . 1 . . . . 43 I CD1 . 15531 1 404 . 1 1 43 43 ILE CG1 C 13 27.274 . . . . . . . 43 I CG1 . 15531 1 405 . 1 1 43 43 ILE CG2 C 13 17.769 . . . . . . . 43 I CG2 . 15531 1 406 . 1 1 43 43 ILE N N 15 126.189 . . 1 . . . . 43 I N . 15531 1 407 . 1 1 44 44 SER H H 1 8.744 . . . . . . . 44 S HN . 15531 1 408 . 1 1 44 44 SER HA H 1 4.463 . . . . . . . 44 S HA . 15531 1 409 . 1 1 44 44 SER HB2 H 1 3.856 . . . . . . . 44 S HB1 . 15531 1 410 . 1 1 44 44 SER C C 13 174.344 . . . . . . . 44 S C . 15531 1 411 . 1 1 44 44 SER CA C 13 58.136 . . . . . . . 44 S CA . 15531 1 412 . 1 1 44 44 SER CB C 13 63.991 . . . . . . . 44 S CB . 15531 1 413 . 1 1 44 44 SER N N 15 123.358 . . . . . . . 44 S N . 15531 1 414 . 1 1 45 45 GLU H H 1 8.489 . . . . . . . 45 E HN . 15531 1 415 . 1 1 45 45 GLU HA H 1 4.230 . . . . . . . 45 E HA . 15531 1 416 . 1 1 45 45 GLU CA C 13 56.437 . . . . . . . 45 E CA . 15531 1 417 . 1 1 45 45 GLU CB C 13 30.090 . . . . . . . 45 E CB . 15531 1 418 . 1 1 45 45 GLU CG C 13 34.065 . . 1 . . . . 45 E CG . 15531 1 419 . 1 1 45 45 GLU N N 15 123.277 . . . . . . . 45 E N . 15531 1 420 . 1 1 46 46 MET HA H 1 4.259 . . . . . . . 46 M HA . 15531 1 421 . 1 1 46 46 MET HB2 H 1 1.956 . . . . . . . 46 M HB1 . 15531 1 422 . 1 1 46 46 MET C C 13 176.035 . . . . . . . 46 M C . 15531 1 423 . 1 1 46 46 MET CB C 13 30.090 . . . . . . . 46 M CB . 15531 1 424 . 1 1 47 47 PHE H H 1 8.032 . . . . . . . 47 F HN . 15531 1 425 . 1 1 47 47 PHE HA H 1 4.233 . . . . . . . 47 F HA . 15531 1 426 . 1 1 47 47 PHE C C 13 172.465 . . . . . . . 47 F C . 15531 1 427 . 1 1 47 47 PHE CA C 13 55.266 . . . . . . . 47 F CA . 15531 1 428 . 1 1 47 47 PHE CB C 13 42.385 . . . . . . . 47 F CB . 15531 1 429 . 1 1 47 47 PHE N N 15 122.169 . . . . . . . 47 F N . 15531 1 430 . 1 1 48 48 ASP H H 1 8.451 . . . . . . . 48 D HN . 15531 1 431 . 1 1 48 48 ASP HA H 1 4.468 . . . . . . . 48 D HA . 15531 1 432 . 1 1 48 48 ASP HB2 H 1 2.614 . . . . . . . 48 D HB1 . 15531 1 433 . 1 1 48 48 ASP HB3 H 1 2.276 . . . . . . . 48 D HB2 . 15531 1 434 . 1 1 48 48 ASP C C 13 175.661 . . . . . . . 48 D C . 15531 1 435 . 1 1 48 48 ASP CA C 13 52.236 . . . . . . . 48 D CA . 15531 1 436 . 1 1 48 48 ASP CB C 13 42.914 . . . . . . . 48 D CB . 15531 1 437 . 1 1 48 48 ASP N N 15 129.632 . . . . . . . 48 D N . 15531 1 438 . 1 1 49 49 LEU H H 1 8.245 . . . . . . . 49 L HN . 15531 1 439 . 1 1 49 49 LEU HA H 1 3.483 . . . . . . . 49 L HA . 15531 1 440 . 1 1 49 49 LEU HB2 H 1 1.655 . . . . . . . 49 L HB1 . 15531 1 441 . 1 1 49 49 LEU HD11 H 1 1.092 . . . . . . . 49 L HD11 . 15531 1 442 . 1 1 49 49 LEU HD12 H 1 1.092 . . . . . . . 49 L HD11 . 15531 1 443 . 1 1 49 49 LEU HD13 H 1 1.092 . . . . . . . 49 L HD11 . 15531 1 444 . 1 1 49 49 LEU HG H 1 1.552 . . . . . . . 49 L HG . 15531 1 445 . 1 1 49 49 LEU C C 13 177.407 . . . . . . . 49 L C . 15531 1 446 . 1 1 49 49 LEU CA C 13 56.965 . . . . . . . 49 L CA . 15531 1 447 . 1 1 49 49 LEU CB C 13 41.743 . . . . . . . 49 L CB . 15531 1 448 . 1 1 49 49 LEU CD1 C 13 24.790 . . 1 . . . . 49 L CD1 . 15531 1 449 . 1 1 49 49 LEU CG C 13 27.600 . . 1 . . . . 49 L CG . 15531 1 450 . 1 1 49 49 LEU N N 15 124.029 . . . . . . . 49 L N . 15531 1 451 . 1 1 50 50 GLN H H 1 8.206 . . . . . . . 50 Q HN . 15531 1 452 . 1 1 50 50 GLN HA H 1 4.149 . . . . . . . 50 Q HA . 15531 1 453 . 1 1 50 50 GLN HB2 H 1 2.092 . . . . . . . 50 Q HB1 . 15531 1 454 . 1 1 50 50 GLN HE21 H 1 6.878 . . . . . . . 50 Q HE21 . 15531 1 455 . 1 1 50 50 GLN HE22 H 1 7.201 . . . . . . . 50 Q HE22 . 15531 1 456 . 1 1 50 50 GLN C C 13 176.667 . . . . . . . 50 Q C . 15531 1 457 . 1 1 50 50 GLN CA C 13 56.965 . . . . . . . 50 Q CA . 15531 1 458 . 1 1 50 50 GLN CB C 13 28.863 . . . . . . . 50 Q CB . 15531 1 459 . 1 1 50 50 GLN CG C 13 34.691 . . . . . . . 50 Q CG . 15531 1 460 . 1 1 50 50 GLN N N 15 114.745 . . . . . . . 50 Q N . 15531 1 461 . 1 1 50 50 GLN NE2 N 15 110.446 . . . . . . . 50 Q NE2 . 15531 1 462 . 1 1 51 51 GLU H H 1 7.134 . . . . . . . 51 E HN . 15531 1 463 . 1 1 51 51 GLU HA H 1 4.352 . . . . . . . 51 E HA . 15531 1 464 . 1 1 51 51 GLU CA C 13 54.095 . . . . . . . 51 E CA . 15531 1 465 . 1 1 51 51 GLU CB C 13 30.090 . . . . . . . 51 E CB . 15531 1 466 . 1 1 51 51 GLU N N 15 117.255 . . . . . . . 51 E N . 15531 1 467 . 1 1 52 52 PRO HA H 1 4.861 . . . . . . . 52 P HA . 15531 1 468 . 1 1 52 52 PRO HB2 H 1 2.443 . . . . . . . 52 P HB1 . 15531 1 469 . 1 1 52 52 PRO HB3 H 1 1.621 . . . . . . . 52 P HB2 . 15531 1 470 . 1 1 52 52 PRO C C 13 176.869 . . . . . . . 52 P C . 15531 1 471 . 1 1 52 52 PRO CA C 13 54.623 . . . . . . . 52 P CA . 15531 1 472 . 1 1 52 52 PRO CB C 13 28.863 . . . . . . . 52 P CB . 15531 1 473 . 1 1 53 53 THR H H 1 7.564 . . . . . . . 53 T HN . 15531 1 474 . 1 1 53 53 THR HA H 1 4.332 . . . . . . . 53 T HA . 15531 1 475 . 1 1 53 53 THR HB H 1 3.913 . . . . . . . 53 T HB . 15531 1 476 . 1 1 53 53 THR HG21 H 1 1.274 . . . . . . . 53 T HG21 . 15531 1 477 . 1 1 53 53 THR HG22 H 1 1.274 . . . . . . . 53 T HG21 . 15531 1 478 . 1 1 53 53 THR HG23 H 1 1.274 . . . . . . . 53 T HG21 . 15531 1 479 . 1 1 53 53 THR C C 13 175.205 . . . . . . . 53 T C . 15531 1 480 . 1 1 53 53 THR CA C 13 61.649 . . . . . . . 53 T CA . 15531 1 481 . 1 1 53 53 THR CB C 13 69.553 . . . . . . . 53 T CB . 15531 1 482 . 1 1 53 53 THR CG2 C 13 22.044 . . . . . . . 53 T CG2 . 15531 1 483 . 1 1 53 53 THR N N 15 110.323 . . . . . . . 53 T N . 15531 1 484 . 1 1 54 54 CYS H H 1 8.380 . . . . . . . 54 C HN . 15531 1 485 . 1 1 54 54 CYS HA H 1 4.532 . . . . . . . 54 C HA . 15531 1 486 . 1 1 54 54 CYS HB2 H 1 2.593 . . . . . . . 54 C HB1 . 15531 1 487 . 1 1 54 54 CYS C C 13 176.859 . . . . . . . 54 C C . 15531 1 488 . 1 1 54 54 CYS CA C 13 55.385 . . 1 . . . . 54 C CA . 15531 1 489 . 1 1 54 54 CYS CB C 13 42.289 . . 1 . . . . 54 C CB . 15531 1 490 . 1 1 54 54 CYS N N 15 123.019 . . . . . . . 54 C N . 15531 1 491 . 1 1 55 55 LEU H H 1 8.064 . . . . . . . 55 L HN . 15531 1 492 . 1 1 55 55 LEU HA H 1 4.093 . . . . . . . 55 L HA . 15531 1 493 . 1 1 55 55 LEU HB2 H 1 2.168 . . . . . . . 55 L HB1 . 15531 1 494 . 1 1 55 55 LEU HB3 H 1 1.493 . . . . . . . 55 L HB2 . 15531 1 495 . 1 1 55 55 LEU HG H 1 2.001 . . . . . . . 55 L HG . 15531 1 496 . 1 1 55 55 LEU C C 13 178.302 . . . . . . . 55 L C . 15531 1 497 . 1 1 55 55 LEU CA C 13 57.051 . . 1 . . . . 55 L CA . 15531 1 498 . 1 1 55 55 LEU CB C 13 39.811 . . 1 . . . . 55 L CB . 15531 1 499 . 1 1 55 55 LEU CD1 C 13 25.145 . . 1 . . . . 55 L CD1 . 15531 1 500 . 1 1 55 55 LEU CG C 13 25.918 . . 1 . . . . 55 L CG . 15531 1 501 . 1 1 55 55 LEU N N 15 120.174 . . . . . . . 55 L N . 15531 1 502 . 1 1 56 56 GLN H H 1 8.203 . . . . . . . 56 Q HN . 15531 1 503 . 1 1 56 56 GLN HA H 1 3.935 . . . . . . . 56 Q HA . 15531 1 504 . 1 1 56 56 GLN HB2 H 1 2.235 . . . . . . . 56 Q HB1 . 15531 1 505 . 1 1 56 56 GLN HB3 H 1 1.884 . . . . . . . 56 Q HB2 . 15531 1 506 . 1 1 56 56 GLN HE22 H 1 7.734 . . . . . . . 56 Q HE22 . 15531 1 507 . 1 1 56 56 GLN C C 13 180.386 . . . . . . . 56 Q C . 15531 1 508 . 1 1 56 56 GLN CA C 13 58.136 . . . . . . . 56 Q CA . 15531 1 509 . 1 1 56 56 GLN CB C 13 26.521 . . . . . . . 56 Q CB . 15531 1 510 . 1 1 56 56 GLN CG C 13 33.196 . . . . . . . 56 Q CG . 15531 1 511 . 1 1 56 56 GLN N N 15 119.952 . . . . . . . 56 Q N . 15531 1 512 . 1 1 57 57 THR H H 1 9.315 . . . . . . . 57 T HN . 15531 1 513 . 1 1 57 57 THR HA H 1 4.679 . . . . . . . 57 T HA . 15531 1 514 . 1 1 57 57 THR HB H 1 4.130 . . . . . . . 57 T HB . 15531 1 515 . 1 1 57 57 THR HG21 H 1 1.322 . . . . . . . 57 T HG21 . 15531 1 516 . 1 1 57 57 THR HG22 H 1 1.322 . . . . . . . 57 T HG21 . 15531 1 517 . 1 1 57 57 THR HG23 H 1 1.322 . . . . . . . 57 T HG21 . 15531 1 518 . 1 1 57 57 THR C C 13 176.730 . . . . . . . 57 T C . 15531 1 519 . 1 1 57 57 THR CA C 13 66.918 . . . . . . . 57 T CA . 15531 1 520 . 1 1 57 57 THR CB C 13 68.675 . . . . . . . 57 T CB . 15531 1 521 . 1 1 57 57 THR CG2 C 13 21.048 . . . . . . . 57 T CG2 . 15531 1 522 . 1 1 57 57 THR N N 15 119.663 . . . . . . . 57 T N . 15531 1 523 . 1 1 58 58 ARG H H 1 8.407 . . . . . . . 58 R HN . 15531 1 524 . 1 1 58 58 ARG HA H 1 3.657 . . . . . . . 58 R HA . 15531 1 525 . 1 1 58 58 ARG HB2 H 1 1.836 . . . . . . . 58 R HB1 . 15531 1 526 . 1 1 58 58 ARG C C 13 178.026 . . . . . . . 58 R C . 15531 1 527 . 1 1 58 58 ARG CA C 13 59.307 . . . . . . . 58 R CA . 15531 1 528 . 1 1 58 58 ARG CB C 13 30.619 . . . . . . . 58 R CB . 15531 1 529 . 1 1 58 58 ARG CD C 13 44.215 . . . . . . . 58 R CD . 15531 1 530 . 1 1 58 58 ARG CG C 13 28.197 . . . . . . . 58 R CG . 15531 1 531 . 1 1 58 58 ARG N N 15 122.377 . . . . . . . 58 R N . 15531 1 532 . 1 1 59 59 LEU H H 1 7.811 . . . . . . . 59 L HN . 15531 1 533 . 1 1 59 59 LEU HA H 1 4.378 . . . . . . . 59 L HA . 15531 1 534 . 1 1 59 59 LEU HB2 H 1 1.630 . . . . . . . 59 L HB1 . 15531 1 535 . 1 1 59 59 LEU C C 13 177.352 . . . . . . . 59 L C . 15531 1 536 . 1 1 59 59 LEU CA C 13 59.364 . . . . . . . 59 L CA . 15531 1 537 . 1 1 59 59 LEU CB C 13 41.800 . . . . . . . 59 L CB . 15531 1 538 . 1 1 59 59 LEU CD1 C 13 24.864 . . 1 . . . . 59 L CD1 . 15531 1 539 . 1 1 59 59 LEU CD2 C 13 23.670 . . 1 . . . . 59 L CD2 . 15531 1 540 . 1 1 59 59 LEU CG C 13 27.252 . . 1 . . . . 59 L CG . 15531 1 541 . 1 1 59 59 LEU N N 15 117.142 . . . . . . . 59 L N . 15531 1 542 . 1 1 60 60 GLU H H 1 8.408 . . . . . . . 60 E HN . 15531 1 543 . 1 1 60 60 GLU HA H 1 4.434 . . . . . . . 60 E HA . 15531 1 544 . 1 1 60 60 GLU HB2 H 1 1.959 . . . . . . . 60 E HB1 . 15531 1 545 . 1 1 60 60 GLU C C 13 175.710 . . . . . . . 60 E C . 15531 1 546 . 1 1 60 60 GLU CA C 13 55.209 . . . . . . . 60 E CA . 15531 1 547 . 1 1 60 60 GLU CB C 13 32.961 . . . . . . . 60 E CB . 15531 1 548 . 1 1 60 60 GLU N N 15 121.423 . . . . . . . 60 E N . 15531 1 549 . 1 1 61 61 LEU H H 1 8.173 . . . . . . . 61 L HN . 15531 1 550 . 1 1 61 61 LEU HA H 1 4.150 . . . . . . . 61 L HA . 15531 1 551 . 1 1 61 61 LEU HB2 H 1 1.688 . . . . . . . 61 L HB1 . 15531 1 552 . 1 1 61 61 LEU HD21 H 1 0.609 . . . . . . . 61 L HD21 . 15531 1 553 . 1 1 61 61 LEU HD22 H 1 0.609 . . . . . . . 61 L HD21 . 15531 1 554 . 1 1 61 61 LEU HD23 H 1 0.609 . . . . . . . 61 L HD21 . 15531 1 555 . 1 1 61 61 LEU C C 13 181.926 . . . . . . . 61 L C . 15531 1 556 . 1 1 61 61 LEU CA C 13 58.136 . . . . . . . 61 L CA . 15531 1 557 . 1 1 61 61 LEU CB C 13 39.987 . . . . . . . 61 L CB . 15531 1 558 . 1 1 61 61 LEU CD2 C 13 22.384 . . . . . . . 61 L CD2 . 15531 1 559 . 1 1 61 61 LEU CG C 13 26.461 . . . . . . . 61 L CG . 15531 1 560 . 1 1 61 61 LEU N N 15 121.018 . . . . . . . 61 L N . 15531 1 561 . 1 1 62 62 TYR H H 1 8.755 . . . . . . . 62 Y HN . 15531 1 562 . 1 1 62 62 TYR HA H 1 4.851 . . . . . . . 62 Y HA . 15531 1 563 . 1 1 62 62 TYR HB2 H 1 3.159 . . . . . . . 62 Y HB1 . 15531 1 564 . 1 1 62 62 TYR HB3 H 1 2.911 . . . . . . . 62 Y HB2 . 15531 1 565 . 1 1 62 62 TYR C C 13 178.024 . . . . . . . 62 Y C . 15531 1 566 . 1 1 62 62 TYR CA C 13 60.478 . . . . . . . 62 Y CA . 15531 1 567 . 1 1 62 62 TYR CB C 13 37.645 . . . . . . . 62 Y CB . 15531 1 568 . 1 1 62 62 TYR N N 15 119.659 . . . . . . . 62 Y N . 15531 1 569 . 1 1 63 63 LYS H H 1 8.180 . . . . . . . 63 K HN . 15531 1 570 . 1 1 63 63 LYS HA H 1 4.152 . . . . . . . 63 K HA . 15531 1 571 . 1 1 63 63 LYS HB2 H 1 2.124 . . . . . . . 63 K HB1 . 15531 1 572 . 1 1 63 63 LYS C C 13 179.384 . . . . . . . 63 K C . 15531 1 573 . 1 1 63 63 LYS CA C 13 60.478 . . . . . . . 63 K CA . 15531 1 574 . 1 1 63 63 LYS CB C 13 32.349 . . . . . . . 63 K CB . 15531 1 575 . 1 1 63 63 LYS CD C 13 29.640 . . . . . . . 63 K CD . 15531 1 576 . 1 1 63 63 LYS CE C 13 41.086 . . 1 . . . . 63 K CE . 15531 1 577 . 1 1 63 63 LYS CG C 13 26.659 . . . . . . . 63 K CG . 15531 1 578 . 1 1 63 63 LYS N N 15 117.864 . . . . . . . 63 K N . 15531 1 579 . 1 1 64 64 GLN H H 1 8.297 . . . . . . . 64 Q HN . 15531 1 580 . 1 1 64 64 GLN HA H 1 4.183 . . . . . . . 64 Q HA . 15531 1 581 . 1 1 64 64 GLN HB2 H 1 2.303 . . . . . . . 64 Q HB1 . 15531 1 582 . 1 1 64 64 GLN HB3 H 1 2.165 . . . . . . . 64 Q HB2 . 15531 1 583 . 1 1 64 64 GLN HE21 H 1 6.855 . . . . . . . 64 Q HE21 . 15531 1 584 . 1 1 64 64 GLN HE22 H 1 7.517 . . . . . . . 64 Q HE22 . 15531 1 585 . 1 1 64 64 GLN C C 13 177.426 . . . . . . . 64 Q C . 15531 1 586 . 1 1 64 64 GLN CA C 13 57.551 . . . . . . . 64 Q CA . 15531 1 587 . 1 1 64 64 GLN CB C 13 28.863 . . . . . . . 64 Q CB . 15531 1 588 . 1 1 64 64 GLN CG C 13 33.935 . . . . . . . 64 Q CG . 15531 1 589 . 1 1 64 64 GLN N N 15 116.794 . . . . . . . 64 Q N . 15531 1 590 . 1 1 64 64 GLN NE2 N 15 112.503 . . . . . . . 64 Q NE2 . 15531 1 591 . 1 1 65 65 GLY H H 1 7.943 . . . . . . . 65 G HN . 15531 1 592 . 1 1 65 65 GLY HA2 H 1 3.955 . . . . . . . 65 G HA1 . 15531 1 593 . 1 1 65 65 GLY HA3 H 1 3.323 . . . . . . . 65 G HA2 . 15531 1 594 . 1 1 65 65 GLY C C 13 171.909 . . . . . . . 65 G C . 15531 1 595 . 1 1 65 65 GLY CA C 13 45.841 . . . . . . . 65 G CA . 15531 1 596 . 1 1 65 65 GLY N N 15 106.546 . . . . . . . 65 G N . 15531 1 597 . 1 1 66 66 LEU H H 1 6.948 . . . . . . . 66 L HN . 15531 1 598 . 1 1 66 66 LEU HA H 1 3.971 . . . . . . . 66 L HA . 15531 1 599 . 1 1 66 66 LEU HB2 H 1 1.891 . . . . . . . 66 L HB1 . 15531 1 600 . 1 1 66 66 LEU HB3 H 1 1.082 . . . . . . . 66 L HB2 . 15531 1 601 . 1 1 66 66 LEU C C 13 176.689 . . . . . . . 66 L C . 15531 1 602 . 1 1 66 66 LEU CA C 13 56.380 . . . . . . . 66 L CA . 15531 1 603 . 1 1 66 66 LEU CB C 13 41.158 . . . . . . . 66 L CB . 15531 1 604 . 1 1 66 66 LEU CD1 C 13 25.879 . . . . . . . 66 L CD1 . 15531 1 605 . 1 1 66 66 LEU CD2 C 13 21.318 . . . . . . . 66 L CD2 . 15531 1 606 . 1 1 66 66 LEU N N 15 114.801 . . . . . . . 66 L N . 15531 1 607 . 1 1 67 67 ARG H H 1 6.685 . . . . . . . 67 R HN . 15531 1 608 . 1 1 67 67 ARG HA H 1 4.587 . . . . . . . 67 R HA . 15531 1 609 . 1 1 67 67 ARG HB2 H 1 1.676 . . . . . . . 67 R HB1 . 15531 1 610 . 1 1 67 67 ARG C C 13 175.859 . . . . . . . 67 R C . 15531 1 611 . 1 1 67 67 ARG CA C 13 53.453 . . . . . . . 67 R CA . 15531 1 612 . 1 1 67 67 ARG CB C 13 33.546 . . . . . . . 67 R CB . 15531 1 613 . 1 1 67 67 ARG CD C 13 42.550 . . . . . . . 67 R CD . 15531 1 614 . 1 1 67 67 ARG CG C 13 26.047 . . . . . . . 67 R CG . 15531 1 615 . 1 1 67 67 ARG N N 15 117.850 . . . . . . . 67 R N . 15531 1 616 . 1 1 68 68 GLY H H 1 8.951 . . . . . . . 68 G HN . 15531 1 617 . 1 1 68 68 GLY CA C 13 46.484 . . . . . . . 68 G CA . 15531 1 618 . 1 1 68 68 GLY N N 15 109.099 . . . . . . . 68 G N . 15531 1 619 . 1 1 69 69 SER HA H 1 4.412 . . . . . . . 69 S HA . 15531 1 620 . 1 1 69 69 SER HB2 H 1 4.140 . . . . . . . 69 S HB1 . 15531 1 621 . 1 1 69 69 SER C C 13 176.399 . . . . . . . 69 S C . 15531 1 622 . 1 1 69 69 SER CA C 13 61.064 . . . . . . . 69 S CA . 15531 1 623 . 1 1 69 69 SER CB C 13 62.820 . . . . . . . 69 S CB . 15531 1 624 . 1 1 70 70 LEU H H 1 8.114 . . . . . . . 70 L HN . 15531 1 625 . 1 1 70 70 LEU HA H 1 4.452 . . . . . . . 70 L HA . 15531 1 626 . 1 1 70 70 LEU HB2 H 1 2.257 . . . . . . . 70 L HB1 . 15531 1 627 . 1 1 70 70 LEU HB3 H 1 2.079 . . . . . . . 70 L HB2 . 15531 1 628 . 1 1 70 70 LEU HD11 H 1 1.102 . . . . . . . 70 L HD11 . 15531 1 629 . 1 1 70 70 LEU HD12 H 1 1.102 . . . . . . . 70 L HD11 . 15531 1 630 . 1 1 70 70 LEU HD13 H 1 1.102 . . . . . . . 70 L HD11 . 15531 1 631 . 1 1 70 70 LEU HD21 H 1 0.984 . . . . . . . 70 L HD21 . 15531 1 632 . 1 1 70 70 LEU HD22 H 1 0.984 . . . . . . . 70 L HD21 . 15531 1 633 . 1 1 70 70 LEU HD23 H 1 0.984 . . . . . . . 70 L HD21 . 15531 1 634 . 1 1 70 70 LEU HG H 1 1.592 . . . . . . . 70 L HG . 15531 1 635 . 1 1 70 70 LEU C C 13 178.517 . . . . . . . 70 L C . 15531 1 636 . 1 1 70 70 LEU CA C 13 55.794 . . . . . . . 70 L CA . 15531 1 637 . 1 1 70 70 LEU CB C 13 41.743 . . . . . . . 70 L CB . 15531 1 638 . 1 1 70 70 LEU CD1 C 13 19.139 . . . . . . . 70 L CD1 . 15531 1 639 . 1 1 70 70 LEU CD2 C 13 24.099 . . . . . . . 70 L CD2 . 15531 1 640 . 1 1 70 70 LEU CG C 13 26.187 . . . . . . . 70 L CG . 15531 1 641 . 1 1 70 70 LEU N N 15 119.012 . . . . . . . 70 L N . 15531 1 642 . 1 1 71 71 THR H H 1 8.083 . . . . . . . 71 T HN . 15531 1 643 . 1 1 71 71 THR HA H 1 4.415 . . . . . . . 71 T HA . 15531 1 644 . 1 1 71 71 THR HB H 1 3.953 . . . . . . . 71 T HB . 15531 1 645 . 1 1 71 71 THR HG21 H 1 1.287 . . . . . . . 71 T HG21 . 15531 1 646 . 1 1 71 71 THR HG22 H 1 1.287 . . . . . . . 71 T HG21 . 15531 1 647 . 1 1 71 71 THR HG23 H 1 1.287 . . . . . . . 71 T HG21 . 15531 1 648 . 1 1 71 71 THR C C 13 176.753 . . . . . . . 71 T C . 15531 1 649 . 1 1 71 71 THR CA C 13 66.333 . . . . . . . 71 T CA . 15531 1 650 . 1 1 71 71 THR CB C 13 68.089 . . . . . . . 71 T CB . 15531 1 651 . 1 1 71 71 THR CG2 C 13 21.543 . . . . . . . 71 T CG2 . 15531 1 652 . 1 1 71 71 THR N N 15 113.363 . . . . . . . 71 T N . 15531 1 653 . 1 1 72 72 LYS H H 1 7.574 . . . . . . . 72 K HN . 15531 1 654 . 1 1 72 72 LYS HA H 1 4.335 . . . . . . . 72 K HA . 15531 1 655 . 1 1 72 72 LYS HB2 H 1 2.063 . . . . . . . 72 K HB1 . 15531 1 656 . 1 1 72 72 LYS HB3 H 1 1.891 . . . . . . . 72 K HB2 . 15531 1 657 . 1 1 72 72 LYS C C 13 177.084 . . . . . . . 72 K C . 15531 1 658 . 1 1 72 72 LYS CA C 13 58.136 . . . . . . . 72 K CA . 15531 1 659 . 1 1 72 72 LYS CB C 13 32.375 . . . . . . . 72 K CB . 15531 1 660 . 1 1 72 72 LYS CD C 13 29.093 . . . . . . . 72 K CD . 15531 1 661 . 1 1 72 72 LYS CE C 13 42.076 . . . . . . . 72 K CE . 15531 1 662 . 1 1 72 72 LYS CG C 13 25.533 . . . . . . . 72 K CG . 15531 1 663 . 1 1 72 72 LYS N N 15 120.012 . . . . . . . 72 K N . 15531 1 664 . 1 1 73 73 LEU H H 1 8.273 . . . . . . . 73 L HN . 15531 1 665 . 1 1 73 73 LEU HA H 1 4.162 . . . . . . . 73 L HA . 15531 1 666 . 1 1 73 73 LEU HB2 H 1 2.256 . . . . . . . 73 L HB1 . 15531 1 667 . 1 1 73 73 LEU HB3 H 1 1.839 . . . . . . . 73 L HB2 . 15531 1 668 . 1 1 73 73 LEU HG H 1 1.818 . . . . . . . 73 L HG . 15531 1 669 . 1 1 73 73 LEU C C 13 176.601 . . . . . . . 73 L C . 15531 1 670 . 1 1 73 73 LEU CA C 13 56.965 . . . . . . . 73 L CA . 15531 1 671 . 1 1 73 73 LEU CB C 13 41.158 . . . . . . . 73 L CB . 15531 1 672 . 1 1 73 73 LEU CD1 C 13 26.544 . . . . . . . 73 L CD1 . 15531 1 673 . 1 1 73 73 LEU CG C 13 30.422 . . . . . . . 73 L CG . 15531 1 674 . 1 1 73 73 LEU N N 15 117.928 . . . . . . . 73 L N . 15531 1 675 . 1 1 74 74 LYS H H 1 7.873 . . . . . . . 74 K HN . 15531 1 676 . 1 1 74 74 LYS HA H 1 3.680 . . . . . . . 74 K HA . 15531 1 677 . 1 1 74 74 LYS HB2 H 1 2.017 . . . . . . . 74 K HB1 . 15531 1 678 . 1 1 74 74 LYS C C 13 178.692 . . . . . . . 74 K C . 15531 1 679 . 1 1 74 74 LYS CA C 13 62.235 . . . . . . . 74 K CA . 15531 1 680 . 1 1 74 74 LYS CB C 13 32.375 . . . . . . . 74 K CB . 15531 1 681 . 1 1 74 74 LYS CD C 13 29.633 . . . . . . . 74 K CD . 15531 1 682 . 1 1 74 74 LYS CE C 13 42.042 . . . . . . . 74 K CE . 15531 1 683 . 1 1 74 74 LYS CG C 13 26.407 . . . . . . . 74 K CG . 15531 1 684 . 1 1 74 74 LYS N N 15 122.396 . . . . . . . 74 K N . 15531 1 685 . 1 1 75 75 GLY H H 1 8.734 . . . . . . . 75 G HN . 15531 1 686 . 1 1 75 75 GLY HA2 H 1 4.083 . . . . . . . 75 G HA1 . 15531 1 687 . 1 1 75 75 GLY CA C 13 48.240 . . . . . . . 75 G CA . 15531 1 688 . 1 1 75 75 GLY N N 15 107.347 . . . . . . . 75 G N . 15531 1 689 . 1 1 76 76 PRO HA H 1 4.368 . . . . . . . 76 P HA . 15531 1 690 . 1 1 76 76 PRO HB2 H 1 2.712 . . . . . . . 76 P HB1 . 15531 1 691 . 1 1 76 76 PRO HB3 H 1 1.842 . . . . . . . 76 P HB2 . 15531 1 692 . 1 1 76 76 PRO C C 13 178.302 . . . . . . . 76 P C . 15531 1 693 . 1 1 76 76 PRO CA C 13 66.333 . . . . . . . 76 P CA . 15531 1 694 . 1 1 76 76 PRO CB C 13 32.375 . . . . . . . 76 P CB . 15531 1 695 . 1 1 76 76 PRO CD C 13 50.113 . . . . . . . 76 P CD . 15531 1 696 . 1 1 76 76 PRO CG C 13 27.358 . . . . . . . 76 P CG . 15531 1 697 . 1 1 77 77 LEU H H 1 8.327 . . . . . . . 77 L HN . 15531 1 698 . 1 1 77 77 LEU HA H 1 4.456 . . . . . . . 77 L HA . 15531 1 699 . 1 1 77 77 LEU HB2 H 1 2.025 . . . . . . . 77 L HB1 . 15531 1 700 . 1 1 77 77 LEU HB3 H 1 1.496 . . . . . . . 77 L HB2 . 15531 1 701 . 1 1 77 77 LEU HD21 H 1 1.010 . . . . . . . 77 L HD21 . 15531 1 702 . 1 1 77 77 LEU HD22 H 1 1.010 . . . . . . . 77 L HD21 . 15531 1 703 . 1 1 77 77 LEU HD23 H 1 1.010 . . . . . . . 77 L HD21 . 15531 1 704 . 1 1 77 77 LEU C C 13 179.133 . . . . . . . 77 L C . 15531 1 705 . 1 1 77 77 LEU CA C 13 58.722 . . . . . . . 77 L CA . 15531 1 706 . 1 1 77 77 LEU CB C 13 41.743 . . . . . . . 77 L CB . 15531 1 707 . 1 1 77 77 LEU CD2 C 13 22.741 . . . . . . . 77 L CD2 . 15531 1 708 . 1 1 77 77 LEU CG C 13 27.130 . . . . . . . 77 L CG . 15531 1 709 . 1 1 77 77 LEU N N 15 115.337 . . . . . . . 77 L N . 15531 1 710 . 1 1 78 78 THR H H 1 8.208 . . . . . . . 78 T HN . 15531 1 711 . 1 1 78 78 THR HA H 1 4.141 . . . . . . . 78 T HA . 15531 1 712 . 1 1 78 78 THR HB H 1 3.818 . . . . . . . 78 T HB . 15531 1 713 . 1 1 78 78 THR HG21 H 1 1.173 . . . . . . . 78 T HG21 . 15531 1 714 . 1 1 78 78 THR HG22 H 1 1.173 . . . . . . . 78 T HG21 . 15531 1 715 . 1 1 78 78 THR HG23 H 1 1.173 . . . . . . . 78 T HG21 . 15531 1 716 . 1 1 78 78 THR C C 13 175.838 . . . . . . . 78 T C . 15531 1 717 . 1 1 78 78 THR CA C 13 64.926 . . . . . . . 78 T CA . 15531 1 718 . 1 1 78 78 THR CB C 13 68.732 . . . . . . . 78 T CB . 15531 1 719 . 1 1 78 78 THR CG2 C 13 21.687 . . . . . . . 78 T CG2 . 15531 1 720 . 1 1 78 78 THR N N 15 117.540 . . . . . . . 78 T N . 15531 1 721 . 1 1 79 79 MET H H 1 8.610 . . . . . . . 79 M HN . 15531 1 722 . 1 1 79 79 MET HA H 1 4.015 . . . . . . . 79 M HA . 15531 1 723 . 1 1 79 79 MET HB2 H 1 1.943 . . . . . . . 79 M HB1 . 15531 1 724 . 1 1 79 79 MET HB3 H 1 1.359 . . . . . . . 79 M HB2 . 15531 1 725 . 1 1 79 79 MET C C 13 180.503 . . . . . . . 79 M C . 15531 1 726 . 1 1 79 79 MET CA C 13 59.364 . . . . . . . 79 M CA . 15531 1 727 . 1 1 79 79 MET N N 15 120.402 . . . . . . . 79 M N . 15531 1 728 . 1 1 80 80 MET H H 1 8.237 . . . . . . . 80 M HN . 15531 1 729 . 1 1 80 80 MET HA H 1 4.158 . . . . . . . 80 M HA . 15531 1 730 . 1 1 80 80 MET HB2 H 1 1.849 . . . . . . . 80 M HB1 . 15531 1 731 . 1 1 80 80 MET C C 13 177.309 . . . . . . . 80 M C . 15531 1 732 . 1 1 80 80 MET CA C 13 54.100 . . 1 . . . . 80 M CA . 15531 1 733 . 1 1 80 80 MET CB C 13 30.231 . . 1 . . . . 80 M CB . 15531 1 734 . 1 1 80 80 MET N N 15 120.402 . . . . . . . 80 M N . 15531 1 735 . 1 1 81 81 ALA H H 1 8.361 . . . . . . . 81 A HN . 15531 1 736 . 1 1 81 81 ALA HA H 1 4.137 . . . . . . . 81 A HA . 15531 1 737 . 1 1 81 81 ALA C C 13 180.468 . . . . . . . 81 A C . 15531 1 738 . 1 1 81 81 ALA CA C 13 56.356 . . 1 . . . . 81 A CA . 15531 1 739 . 1 1 81 81 ALA CB C 13 18.324 . . . . . . . 81 A CB . 15531 1 740 . 1 1 81 81 ALA N N 15 120.736 . . . . . . . 81 A N . 15531 1 741 . 1 1 82 82 SER H H 1 8.263 . . . . . . . 82 S HN . 15531 1 742 . 1 1 82 82 SER HA H 1 4.288 . . . . . . . 82 S HA . 15531 1 743 . 1 1 82 82 SER HB2 H 1 4.057 . . . . . . . 82 S HB1 . 15531 1 744 . 1 1 82 82 SER C C 13 176.281 . . . . . . . 82 S C . 15531 1 745 . 1 1 82 82 SER CA C 13 61.064 . . . . . . . 82 S CA . 15531 1 746 . 1 1 82 82 SER CB C 13 62.820 . . . . . . . 82 S CB . 15531 1 747 . 1 1 82 82 SER N N 15 112.689 . . . . . . . 82 S N . 15531 1 748 . 1 1 83 83 HIS H H 1 8.300 . . . . . . . 83 H HN . 15531 1 749 . 1 1 83 83 HIS HA H 1 4.205 . . . . . . . 83 H HA . 15531 1 750 . 1 1 83 83 HIS HB2 H 1 2.980 . . . . . . . 83 H HB1 . 15531 1 751 . 1 1 83 83 HIS C C 13 177.688 . . . . . . . 83 H C . 15531 1 752 . 1 1 83 83 HIS CA C 13 60.478 . . . . . . . 83 H CA . 15531 1 753 . 1 1 83 83 HIS CB C 13 30.619 . . . . . . . 83 H CB . 15531 1 754 . 1 1 83 83 HIS N N 15 122.357 . . . . . . . 83 H N . 15531 1 755 . 1 1 84 84 TYR H H 1 8.351 . . . . . . . 84 Y HN . 15531 1 756 . 1 1 84 84 TYR HA H 1 3.974 . . . . . . . 84 Y HA . 15531 1 757 . 1 1 84 84 TYR HB2 H 1 3.363 . . . . . . . 84 Y HB1 . 15531 1 758 . 1 1 84 84 TYR HB3 H 1 2.712 . . . . . . . 84 Y HB2 . 15531 1 759 . 1 1 84 84 TYR C C 13 179.655 . . . . . . . 84 Y C . 15531 1 760 . 1 1 84 84 TYR CA C 13 62.235 . . . . . . . 84 Y CA . 15531 1 761 . 1 1 84 84 TYR CB C 13 37.645 . . . . . . . 84 Y CB . 15531 1 762 . 1 1 84 84 TYR N N 15 115.933 . . . . . . . 84 Y N . 15531 1 763 . 1 1 85 85 LYS H H 1 7.995 . . . . . . . 85 K HN . 15531 1 764 . 1 1 85 85 LYS HA H 1 4.152 . . . . . . . 85 K HA . 15531 1 765 . 1 1 85 85 LYS HB2 H 1 2.006 . . . . . . . 85 K HB1 . 15531 1 766 . 1 1 85 85 LYS C C 13 178.086 . . . . . . . 85 K C . 15531 1 767 . 1 1 85 85 LYS CA C 13 58.722 . . . . . . . 85 K CA . 15531 1 768 . 1 1 85 85 LYS CB C 13 32.375 . . . . . . . 85 K CB . 15531 1 769 . 1 1 85 85 LYS CD C 13 29.373 . . . . . . . 85 K CD . 15531 1 770 . 1 1 85 85 LYS CE C 13 42.048 . . . . . . . 85 K CE . 15531 1 771 . 1 1 85 85 LYS CG C 13 24.897 . . . . . . . 85 K CG . 15531 1 772 . 1 1 85 85 LYS N N 15 118.989 . . . . . . . 85 K N . 15531 1 773 . 1 1 86 86 GLN H H 1 7.794 . . . . . . . 86 Q HN . 15531 1 774 . 1 1 86 86 GLN HA H 1 4.029 . . . . . . . 86 Q HA . 15531 1 775 . 1 1 86 86 GLN HB2 H 1 1.801 . . . . . . . 86 Q HB1 . 15531 1 776 . 1 1 86 86 GLN HB3 H 1 1.492 . . . . . . . 86 Q HB2 . 15531 1 777 . 1 1 86 86 GLN HE21 H 1 6.902 . . . . . . . 86 Q HE21 . 15531 1 778 . 1 1 86 86 GLN HE22 H 1 7.741 . . . . . . . 86 Q HE22 . 15531 1 779 . 1 1 86 86 GLN C C 13 177.875 . . . . . . . 86 Q C . 15531 1 780 . 1 1 86 86 GLN CA C 13 57.551 . . . . . . . 86 Q CA . 15531 1 781 . 1 1 86 86 GLN CB C 13 29.448 . . . . . . . 86 Q CB . 15531 1 782 . 1 1 86 86 GLN CG C 13 33.697 . . . . . . . 86 Q CG . 15531 1 783 . 1 1 86 86 GLN N N 15 115.338 . . . . . . . 86 Q N . 15531 1 784 . 1 1 86 86 GLN NE2 N 15 113.157 . . . . . . . 86 Q NE2 . 15531 1 785 . 1 1 87 87 HIS H H 1 7.937 . . . . . . . 87 H HN . 15531 1 786 . 1 1 87 87 HIS HA H 1 4.620 . . . . . . . 87 H HA . 15531 1 787 . 1 1 87 87 HIS HB2 H 1 2.852 . . . . . . . 87 H HB1 . 15531 1 788 . 1 1 87 87 HIS HB3 H 1 2.117 . . . . . . . 87 H HB2 . 15531 1 789 . 1 1 87 87 HIS C C 13 175.071 . . . . . . . 87 H C . 15531 1 790 . 1 1 87 87 HIS CA C 13 57.551 . . . . . . . 87 H CA . 15531 1 791 . 1 1 87 87 HIS CB C 13 31.790 . . . . . . . 87 H CB . 15531 1 792 . 1 1 87 87 HIS N N 15 112.422 . . . . . . . 87 H N . 15531 1 793 . 1 1 88 88 CYS H H 1 7.715 . . . . . . . 88 C HN . 15531 1 794 . 1 1 88 88 CYS HA H 1 5.301 . . . . . . . 88 C HA . 15531 1 795 . 1 1 88 88 CYS CA C 13 49.997 . . . . . . . 88 C CA . 15531 1 796 . 1 1 88 88 CYS CB C 13 34.189 . . . . . . . 88 C CB . 15531 1 797 . 1 1 88 88 CYS N N 15 115.138 . . . . . . . 88 C N . 15531 1 798 . 1 1 90 90 PRO HA H 1 4.516 . . . . . . . 90 P HA . 15531 1 799 . 1 1 90 90 PRO HB2 H 1 2.349 . . . . . . . 90 P HB1 . 15531 1 800 . 1 1 90 90 PRO HB3 H 1 1.989 . . . . . . . 90 P HB2 . 15531 1 801 . 1 1 90 90 PRO C C 13 177.331 . . . . . . . 90 P C . 15531 1 802 . 1 1 90 90 PRO CA C 13 63.406 . . . . . . . 90 P CA . 15531 1 803 . 1 1 90 90 PRO CB C 13 31.790 . . . . . . . 90 P CB . 15531 1 804 . 1 1 90 90 PRO CD C 13 50.627 . . . . . . . 90 P CD . 15531 1 805 . 1 1 90 90 PRO CG C 13 27.508 . . . . . . . 90 P CG . 15531 1 806 . 1 1 91 91 THR H H 1 8.282 . . . . . . . 91 T HN . 15531 1 807 . 1 1 91 91 THR HA H 1 4.351 . . . . . . . 91 T HA . 15531 1 808 . 1 1 91 91 THR HG21 H 1 1.414 . . . . . . . 91 T HG21 . 15531 1 809 . 1 1 91 91 THR HG22 H 1 1.414 . . . . . . . 91 T HG21 . 15531 1 810 . 1 1 91 91 THR HG23 H 1 1.414 . . . . . . . 91 T HG21 . 15531 1 811 . 1 1 91 91 THR CA C 13 62.292 . . . . . . . 91 T CA . 15531 1 812 . 1 1 91 91 THR CB C 13 69.903 . . . . . . . 91 T CB . 15531 1 813 . 1 1 91 91 THR N N 15 113.808 . . . . . . . 91 T N . 15531 1 814 . 1 1 92 92 PRO HA H 1 4.184 . . . . . . . 92 P HA . 15531 1 815 . 1 1 92 92 PRO HB2 H 1 2.079 . . . . . . . 92 P HB1 . 15531 1 816 . 1 1 92 92 PRO C C 13 175.790 . . . . . . . 92 P C . 15531 1 817 . 1 1 92 92 PRO CA C 13 62.235 . . . . . . . 92 P CA . 15531 1 818 . 1 1 92 92 PRO CB C 13 32.961 . . . . . . . 92 P CB . 15531 1 819 . 1 1 93 93 GLU H H 1 8.507 . . . . . . . 93 E HN . 15531 1 820 . 1 1 93 93 GLU HA H 1 4.322 . . . . . . . 93 E HA . 15531 1 821 . 1 1 93 93 GLU C C 13 176.427 . . . . . . . 93 E C . 15531 1 822 . 1 1 93 93 GLU CA C 13 56.380 . . . . . . . 93 E CA . 15531 1 823 . 1 1 93 93 GLU CB C 13 30.619 . . . . . . . 93 E CB . 15531 1 824 . 1 1 93 93 GLU N N 15 125.397 . . . . . . . 93 E N . 15531 1 825 . 1 1 94 94 THR H H 1 8.299 . . . . . . . 94 T HN . 15531 1 826 . 1 1 94 94 THR HA H 1 4.342 . . . . . . . 94 T HA . 15531 1 827 . 1 1 94 94 THR HB H 1 4.351 . . . . . . . 94 T HB . 15531 1 828 . 1 1 94 94 THR C C 13 174.788 . . . . . . . 94 T C . 15531 1 829 . 1 1 94 94 THR CA C 13 62.235 . . . . . . . 94 T CA . 15531 1 830 . 1 1 94 94 THR CB C 13 69.260 . . . . . . . 94 T CB . 15531 1 831 . 1 1 94 94 THR CG2 C 13 22.254 . . . . . . . 94 T CG2 . 15531 1 832 . 1 1 94 94 THR N N 15 115.982 . . . . . . . 94 T N . 15531 1 833 . 1 1 95 95 SER H H 1 8.617 . . . . . . . 95 S HN . 15531 1 834 . 1 1 95 95 SER HA H 1 4.537 . . . . . . . 95 S HA . 15531 1 835 . 1 1 95 95 SER HB2 H 1 3.945 . . . . . . . 95 S HB1 . 15531 1 836 . 1 1 95 95 SER HB3 H 1 3.726 . . . . . . . 95 S HB2 . 15531 1 837 . 1 1 95 95 SER C C 13 173.867 . . . . . . . 95 S C . 15531 1 838 . 1 1 95 95 SER CA C 13 56.965 . . . . . . . 95 S CA . 15531 1 839 . 1 1 95 95 SER CB C 13 62.235 . . . . . . . 95 S CB . 15531 1 840 . 1 1 95 95 SER N N 15 119.226 . . . . . . . 95 S N . 15531 1 841 . 1 1 96 96 CYS H H 1 8.530 . . . . . . . 96 C HN . 15531 1 842 . 1 1 96 96 CYS HA H 1 4.819 . . . . . . . 96 C HA . 15531 1 843 . 1 1 96 96 CYS CA C 13 52.924 . . . . . . . 96 C CA . 15531 1 844 . 1 1 96 96 CYS CB C 13 41.800 . . . . . . . 96 C CB . 15531 1 845 . 1 1 96 96 CYS N N 15 123.160 . . . . . . . 96 C N . 15531 1 846 . 1 1 97 97 ALA HA H 1 4.409 . . . . . . . 97 A HA . 15531 1 847 . 1 1 97 97 ALA HB1 H 1 1.447 . . . . . . . 97 A HB1 . 15531 1 848 . 1 1 97 97 ALA HB2 H 1 1.447 . . . . . . . 97 A HB1 . 15531 1 849 . 1 1 97 97 ALA HB3 H 1 1.447 . . . . . . . 97 A HB1 . 15531 1 850 . 1 1 97 97 ALA C C 13 177.788 . . . . . . . 97 A C . 15531 1 851 . 1 1 97 97 ALA CA C 13 52.867 . . . . . . . 97 A CA . 15531 1 852 . 1 1 97 97 ALA CB C 13 19.495 . . . . . . . 97 A CB . 15531 1 853 . 1 1 98 98 THR H H 1 8.183 . . . . . . . 98 T HN . 15531 1 854 . 1 1 98 98 THR HA H 1 4.675 . . . . . . . 98 T HA . 15531 1 855 . 1 1 98 98 THR HG21 H 1 0.927 . . . . . . . 98 T HG21 . 15531 1 856 . 1 1 98 98 THR HG22 H 1 0.927 . . . . . . . 98 T HG21 . 15531 1 857 . 1 1 98 98 THR HG23 H 1 0.927 . . . . . . . 98 T HG21 . 15531 1 858 . 1 1 98 98 THR C C 13 174.332 . . . . . . . 98 T C . 15531 1 859 . 1 1 98 98 THR CA C 13 59.307 . . . . . . . 98 T CA . 15531 1 860 . 1 1 98 98 THR CB C 13 72.188 . . . . . . . 98 T CB . 15531 1 861 . 1 1 98 98 THR CG2 C 13 22.319 . . . . . . . 98 T CG2 . 15531 1 862 . 1 1 98 98 THR N N 15 110.119 . . . . . . . 98 T N . 15531 1 863 . 1 1 99 99 GLN H H 1 9.067 . . . . . . . 99 Q HN . 15531 1 864 . 1 1 99 99 GLN HA H 1 4.738 . . . . . . . 99 Q HA . 15531 1 865 . 1 1 99 99 GLN HB2 H 1 1.947 . . . . . . . 99 Q HB1 . 15531 1 866 . 1 1 99 99 GLN HE21 H 1 6.892 . . . . . . . 99 Q HE21 . 15531 1 867 . 1 1 99 99 GLN HE22 H 1 7.859 . . . . . . . 99 Q HE22 . 15531 1 868 . 1 1 99 99 GLN C C 13 173.134 . . . . . . . 99 Q C . 15531 1 869 . 1 1 99 99 GLN CA C 13 54.038 . . . . . . . 99 Q CA . 15531 1 870 . 1 1 99 99 GLN CB C 13 32.375 . . . . . . . 99 Q CB . 15531 1 871 . 1 1 99 99 GLN N N 15 116.762 . . . . . . . 99 Q N . 15531 1 872 . 1 1 99 99 GLN NE2 N 15 112.146 . . . . . . . 99 Q NE2 . 15531 1 873 . 1 1 100 100 ILE H H 1 8.440 . . . . . . . 100 I HN . 15531 1 874 . 1 1 100 100 ILE HA H 1 4.780 . . . . . . . 100 I HA . 15531 1 875 . 1 1 100 100 ILE HB H 1 1.814 . . . . . . . 100 I HB . 15531 1 876 . 1 1 100 100 ILE HD11 H 1 0.759 . . . . . . . 100 I HD11 . 15531 1 877 . 1 1 100 100 ILE HD12 H 1 0.759 . . . . . . . 100 I HD11 . 15531 1 878 . 1 1 100 100 ILE HD13 H 1 0.759 . . . . . . . 100 I HD11 . 15531 1 879 . 1 1 100 100 ILE HG12 H 1 1.514 . . . . . . . 100 I HG11 . 15531 1 880 . 1 1 100 100 ILE HG13 H 1 1.134 . . . . . . . 100 I HG12 . 15531 1 881 . 1 1 100 100 ILE HG21 H 1 1.028 . . . . . . . 100 I HG21 . 15531 1 882 . 1 1 100 100 ILE HG22 H 1 1.028 . . . . . . . 100 I HG21 . 15531 1 883 . 1 1 100 100 ILE HG23 H 1 1.028 . . . . . . . 100 I HG21 . 15531 1 884 . 1 1 100 100 ILE C C 13 176.631 . . . . . . . 100 I C . 15531 1 885 . 1 1 100 100 ILE CA C 13 59.893 . . 1 . . . . 100 I CA . 15531 1 886 . 1 1 100 100 ILE CB C 13 37.645 . . . . . . . 100 I CB . 15531 1 887 . 1 1 100 100 ILE CD1 C 13 11.905 . . . . . . . 100 I CD1 . 15531 1 888 . 1 1 100 100 ILE CG1 C 13 27.287 . . . . . . . 100 I CG1 . 15531 1 889 . 1 1 100 100 ILE CG2 C 13 17.888 . . . . . . . 100 I CG2 . 15531 1 890 . 1 1 100 100 ILE N N 15 122.345 . . . . . . . 100 I N . 15531 1 891 . 1 1 101 101 ILE H H 1 9.147 . . . . . . . 101 I HN . 15531 1 892 . 1 1 101 101 ILE HA H 1 5.060 . . . . . . . 101 I HA . 15531 1 893 . 1 1 101 101 ILE HB H 1 2.207 . . . . . . . 101 I HB . 15531 1 894 . 1 1 101 101 ILE HD11 H 1 0.766 . . . . . . . 101 I HD11 . 15531 1 895 . 1 1 101 101 ILE HD12 H 1 0.766 . . . . . . . 101 I HD11 . 15531 1 896 . 1 1 101 101 ILE HD13 H 1 0.766 . . . . . . . 101 I HD11 . 15531 1 897 . 1 1 101 101 ILE HG12 H 1 1.556 . . . . . . . 101 I HG11 . 15531 1 898 . 1 1 101 101 ILE HG13 H 1 1.172 . . . . . . . 101 I HG12 . 15531 1 899 . 1 1 101 101 ILE HG21 H 1 0.846 . . . . . . . 101 I HG21 . 15531 1 900 . 1 1 101 101 ILE HG22 H 1 0.846 . . . . . . . 101 I HG21 . 15531 1 901 . 1 1 101 101 ILE HG23 H 1 0.846 . . . . . . . 101 I HG21 . 15531 1 902 . 1 1 101 101 ILE C C 13 174.855 . . . . . . . 101 I C . 15531 1 903 . 1 1 101 101 ILE CA C 13 59.307 . . . . . . . 101 I CA . 15531 1 904 . 1 1 101 101 ILE CB C 13 42.328 . . . . . . . 101 I CB . 15531 1 905 . 1 1 101 101 ILE CD1 C 13 14.475 . . . . . . . 101 I CD1 . 15531 1 906 . 1 1 101 101 ILE CG1 C 13 24.685 . . . . . . . 101 I CG1 . 15531 1 907 . 1 1 101 101 ILE CG2 C 13 17.700 . . . . . . . 101 I CG2 . 15531 1 908 . 1 1 101 101 ILE N N 15 122.458 . . . . . . . 101 I N . 15531 1 909 . 1 1 102 102 THR H H 1 8.330 . . . . . . . 102 T HN . 15531 1 910 . 1 1 102 102 THR HA H 1 5.015 . . . . . . . 102 T HA . 15531 1 911 . 1 1 102 102 THR HB H 1 4.620 . . . . . . . 102 T HB . 15531 1 912 . 1 1 102 102 THR HG21 H 1 1.320 . . . . . . . 102 T HG21 . 15531 1 913 . 1 1 102 102 THR HG22 H 1 1.320 . . . . . . . 102 T HG21 . 15531 1 914 . 1 1 102 102 THR HG23 H 1 1.320 . . . . . . . 102 T HG21 . 15531 1 915 . 1 1 102 102 THR C C 13 175.967 . . . . . . . 102 T C . 15531 1 916 . 1 1 102 102 THR CA C 13 61.064 . . . . . . . 102 T CA . 15531 1 917 . 1 1 102 102 THR CB C 13 71.017 . . . . . . . 102 T CB . 15531 1 918 . 1 1 102 102 THR CG2 C 13 22.214 . . . . . . . 102 T CG2 . 15531 1 919 . 1 1 102 102 THR N N 15 109.008 . . . . . . . 102 T N . 15531 1 920 . 1 1 103 103 PHE H H 1 8.878 . . . . . . . 103 F HN . 15531 1 921 . 1 1 103 103 PHE HA H 1 4.259 . . . . . . . 103 F HA . 15531 1 922 . 1 1 103 103 PHE HB2 H 1 3.216 . . . . . . . 103 F HB1 . 15531 1 923 . 1 1 103 103 PHE C C 13 177.238 . . . . . . . 103 F C . 15531 1 924 . 1 1 103 103 PHE CA C 13 62.235 . . . . . . . 103 F CA . 15531 1 925 . 1 1 103 103 PHE CB C 13 39.401 . . . . . . . 103 F CB . 15531 1 926 . 1 1 103 103 PHE N N 15 122.651 . . . . . . . 103 F N . 15531 1 927 . 1 1 104 104 GLU H H 1 8.788 . . . . . . . 104 E HN . 15531 1 928 . 1 1 104 104 GLU HA H 1 3.976 . . . . . . . 104 E HA . 15531 1 929 . 1 1 104 104 GLU HB2 H 1 2.135 . . . . . . . 104 E HB1 . 15531 1 930 . 1 1 104 104 GLU C C 13 179.274 . . . . . . . 104 E C . 15531 1 931 . 1 1 104 104 GLU CA C 13 59.893 . . . . . . . 104 E CA . 15531 1 932 . 1 1 104 104 GLU CB C 13 29.448 . . . . . . . 104 E CB . 15531 1 933 . 1 1 104 104 GLU CG C 13 36.133 . . . . . . . 104 E CG . 15531 1 934 . 1 1 104 104 GLU N N 15 117.879 . . . . . . . 104 E N . 15531 1 935 . 1 1 105 105 SER H H 1 7.779 . . . . . . . 105 S HN . 15531 1 936 . 1 1 105 105 SER HA H 1 4.322 . . . . . . . 105 S HA . 15531 1 937 . 1 1 105 105 SER HB2 H 1 4.075 . . . . . . . 105 S HB1 . 15531 1 938 . 1 1 105 105 SER C C 13 176.893 . . . . . . . 105 S C . 15531 1 939 . 1 1 105 105 SER CA C 13 60.478 . . . . . . . 105 S CA . 15531 1 940 . 1 1 105 105 SER CB C 13 63.991 . . . . . . . 105 S CB . 15531 1 941 . 1 1 105 105 SER N N 15 115.928 . . . . . . . 105 S N . 15531 1 942 . 1 1 106 106 PHE H H 1 9.033 . . . . . . . 106 F HN . 15531 1 943 . 1 1 106 106 PHE HA H 1 3.972 . . . . . . . 106 F HA . 15531 1 944 . 1 1 106 106 PHE HB2 H 1 3.559 . . . . . . . 106 F HB1 . 15531 1 945 . 1 1 106 106 PHE HB3 H 1 2.827 . . . . . . . 106 F HB2 . 15531 1 946 . 1 1 106 106 PHE C C 13 175.672 . . . . . . . 106 F C . 15531 1 947 . 1 1 106 106 PHE CA C 13 61.064 . . . . . . . 106 F CA . 15531 1 948 . 1 1 106 106 PHE CB C 13 38.230 . . . . . . . 106 F CB . 15531 1 949 . 1 1 106 106 PHE N N 15 126.401 . . . . . . . 106 F N . 15531 1 950 . 1 1 107 107 LYS H H 1 7.909 . . . . . . . 107 K HN . 15531 1 951 . 1 1 107 107 LYS HA H 1 3.398 . . . . . . . 107 K HA . 15531 1 952 . 1 1 107 107 LYS HB2 H 1 1.835 . . . . . . . 107 K HB1 . 15531 1 953 . 1 1 107 107 LYS HB3 H 1 1.752 . . . . . . . 107 K HB2 . 15531 1 954 . 1 1 107 107 LYS C C 13 178.349 . . . . . . . 107 K C . 15531 1 955 . 1 1 107 107 LYS CA C 13 61.064 . . . . . . . 107 K CA . 15531 1 956 . 1 1 107 107 LYS CB C 13 31.790 . . . . . . . 107 K CB . 15531 1 957 . 1 1 107 107 LYS CD C 13 29.805 . . . . . . . 107 K CD . 15531 1 958 . 1 1 107 107 LYS CE C 13 41.925 . . . . . . . 107 K CE . 15531 1 959 . 1 1 107 107 LYS CG C 13 26.027 . . . . . . . 107 K CG . 15531 1 960 . 1 1 107 107 LYS N N 15 118.469 . . . . . . . 107 K N . 15531 1 961 . 1 1 108 108 GLU H H 1 7.014 . . . . . . . 108 E HN . 15531 1 962 . 1 1 108 108 GLU HA H 1 3.994 . . . . . . . 108 E HA . 15531 1 963 . 1 1 108 108 GLU HB2 H 1 2.125 . . . . . . . 108 E HB1 . 15531 1 964 . 1 1 108 108 GLU C C 13 179.263 . . . . . . . 108 E C . 15531 1 965 . 1 1 108 108 GLU CA C 13 58.722 . . . . . . . 108 E CA . 15531 1 966 . 1 1 108 108 GLU CB C 13 29.448 . . . . . . . 108 E CB . 15531 1 967 . 1 1 108 108 GLU CG C 13 35.351 . . . . . . . 108 E CG . 15531 1 968 . 1 1 108 108 GLU N N 15 117.540 . . . . . . . 108 E N . 15531 1 969 . 1 1 109 109 ASN H H 1 8.281 . . . . . . . 109 N HN . 15531 1 970 . 1 1 109 109 ASN HA H 1 4.348 . . . . . . . 109 N HA . 15531 1 971 . 1 1 109 109 ASN HB2 H 1 2.796 . . . . . . . 109 N HB1 . 15531 1 972 . 1 1 109 109 ASN HB3 H 1 2.614 . . . . . . . 109 N HB2 . 15531 1 973 . 1 1 109 109 ASN C C 13 177.757 . . . . . . . 109 N C . 15531 1 974 . 1 1 109 109 ASN CA C 13 57.608 . . . . . . . 109 N CA . 15531 1 975 . 1 1 109 109 ASN CB C 13 40.312 . . 1 . . . . 109 N CB . 15531 1 976 . 1 1 109 109 ASN N N 15 120.235 . . . . . . . 109 N N . 15531 1 977 . 1 1 110 110 LEU H H 1 8.443 . . . . . . . 110 L HN . 15531 1 978 . 1 1 110 110 LEU HA H 1 3.579 . . . . . . . 110 L HA . 15531 1 979 . 1 1 110 110 LEU HB2 H 1 1.342 . . . . . . . 110 L HB1 . 15531 1 980 . 1 1 110 110 LEU HB3 H 1 0.569 . . . . . . . 110 L HB2 . 15531 1 981 . 1 1 110 110 LEU HD21 H 1 0.761 . . . . . . . 110 L HD21 . 15531 1 982 . 1 1 110 110 LEU HD22 H 1 0.761 . . . . . . . 110 L HD21 . 15531 1 983 . 1 1 110 110 LEU HD23 H 1 0.761 . . . . . . . 110 L HD21 . 15531 1 984 . 1 1 110 110 LEU HG H 1 1.492 . . . . . . . 110 L HG . 15531 1 985 . 1 1 110 110 LEU C C 13 177.416 . . . . . . . 110 L C . 15531 1 986 . 1 1 110 110 LEU CA C 13 57.096 . . . . . . . 110 L CA . 15531 1 987 . 1 1 110 110 LEU CB C 13 40.572 . . . . . . . 110 L CB . 15531 1 988 . 1 1 110 110 LEU CD2 C 13 21.433 . . . . . . . 110 L CD2 . 15531 1 989 . 1 1 110 110 LEU CG C 13 25.999 . . . . . . . 110 L CG . 15531 1 990 . 1 1 110 110 LEU N N 15 119.741 . . . . . . . 110 L N . 15531 1 991 . 1 1 111 111 LYS H H 1 8.124 . . . . . . . 111 K HN . 15531 1 992 . 1 1 111 111 LYS HA H 1 3.627 . . . . . . . 111 K HA . 15531 1 993 . 1 1 111 111 LYS HB2 H 1 1.957 . . . . . . . 111 K HB1 . 15531 1 994 . 1 1 111 111 LYS C C 13 178.249 . . . . . . . 111 K C . 15531 1 995 . 1 1 111 111 LYS CA C 13 60.478 . . . . . . . 111 K CA . 15531 1 996 . 1 1 111 111 LYS CB C 13 31.204 . . . . . . . 111 K CB . 15531 1 997 . 1 1 111 111 LYS CD C 13 29.257 . . . . . . . 111 K CD . 15531 1 998 . 1 1 111 111 LYS CE C 13 41.190 . . . . . . . 111 K CE . 15531 1 999 . 1 1 111 111 LYS CG C 13 24.482 . . . . . . . 111 K CG . 15531 1 1000 . 1 1 111 111 LYS N N 15 119.930 . . . . . . . 111 K N . 15531 1 1001 . 1 1 112 112 ASP H H 1 8.092 . . . . . . . 112 D HN . 15531 1 1002 . 1 1 112 112 ASP HA H 1 4.406 . . . . . . . 112 D HA . 15531 1 1003 . 1 1 112 112 ASP HB2 H 1 2.874 . . . . . . . 112 D HB1 . 15531 1 1004 . 1 1 112 112 ASP HB3 H 1 2.662 . . . . . . . 112 D HB2 . 15531 1 1005 . 1 1 112 112 ASP C C 13 179.235 . . . . . . . 112 D C . 15531 1 1006 . 1 1 112 112 ASP CA C 13 57.551 . . . . . . . 112 D CA . 15531 1 1007 . 1 1 112 112 ASP CB C 13 39.987 . . . . . . . 112 D CB . 15531 1 1008 . 1 1 112 112 ASP N N 15 118.407 . . . . . . . 112 D N . 15531 1 1009 . 1 1 113 113 PHE H H 1 8.097 . . . . . . . 113 F HN . 15531 1 1010 . 1 1 113 113 PHE HA H 1 4.413 . . . . . . . 113 F HA . 15531 1 1011 . 1 1 113 113 PHE HB2 H 1 3.487 . . . . . . . 113 F HB1 . 15531 1 1012 . 1 1 113 113 PHE HB3 H 1 3.081 . . . . . . . 113 F HB2 . 15531 1 1013 . 1 1 113 113 PHE C C 13 176.975 . . . . . . . 113 F C . 15531 1 1014 . 1 1 113 113 PHE CA C 13 61.064 . . . . . . . 113 F CA . 15531 1 1015 . 1 1 113 113 PHE CB C 13 39.401 . . . . . . . 113 F CB . 15531 1 1016 . 1 1 113 113 PHE N N 15 121.632 . . . . . . . 113 F N . 15531 1 1017 . 1 1 114 114 LEU H H 1 8.490 . . . . . . . 114 L HN . 15531 1 1018 . 1 1 114 114 LEU HA H 1 3.791 . . . . . . . 114 L HA . 15531 1 1019 . 1 1 114 114 LEU HB2 H 1 2.011 . . . . . . . 114 L HB1 . 15531 1 1020 . 1 1 114 114 LEU HB3 H 1 1.287 . . . . . . . 114 L HB2 . 15531 1 1021 . 1 1 114 114 LEU HD21 H 1 0.429 . . . . . . . 114 L HD21 . 15531 1 1022 . 1 1 114 114 LEU HD22 H 1 0.429 . . . . . . . 114 L HD21 . 15531 1 1023 . 1 1 114 114 LEU HD23 H 1 0.429 . . . . . . . 114 L HD21 . 15531 1 1024 . 1 1 114 114 LEU HG H 1 1.675 . . . . . . . 114 L HG . 15531 1 1025 . 1 1 114 114 LEU C C 13 178.396 . . . . . . . 114 L C . 15531 1 1026 . 1 1 114 114 LEU CA C 13 56.380 . . . . . . . 114 L CA . 15531 1 1027 . 1 1 114 114 LEU CB C 13 41.743 . . . . . . . 114 L CB . 15531 1 1028 . 1 1 114 114 LEU CD2 C 13 22.719 . . . . . . . 114 L CD2 . 15531 1 1029 . 1 1 114 114 LEU CG C 13 26.604 . . . . . . . 114 L CG . 15531 1 1030 . 1 1 114 114 LEU N N 15 116.314 . . . . . . . 114 L N . 15531 1 1031 . 1 1 115 115 LEU H H 1 7.642 . . . . . . . 115 L HN . 15531 1 1032 . 1 1 115 115 LEU HA H 1 4.190 . . . . . . . 115 L HA . 15531 1 1033 . 1 1 115 115 LEU HB2 H 1 1.972 . . . . . . . 115 L HB1 . 15531 1 1034 . 1 1 115 115 LEU HB3 H 1 1.610 . . . . . . . 115 L HB2 . 15531 1 1035 . 1 1 115 115 LEU HD11 H 1 1.190 . . . . . . . 115 L HD11 . 15531 1 1036 . 1 1 115 115 LEU HD12 H 1 1.190 . . . . . . . 115 L HD11 . 15531 1 1037 . 1 1 115 115 LEU HD13 H 1 1.190 . . . . . . . 115 L HD11 . 15531 1 1038 . 1 1 115 115 LEU HD21 H 1 0.631 . . . . . . . 115 L HD21 . 15531 1 1039 . 1 1 115 115 LEU HD22 H 1 0.631 . . . . . . . 115 L HD21 . 15531 1 1040 . 1 1 115 115 LEU HD23 H 1 0.631 . . . . . . . 115 L HD21 . 15531 1 1041 . 1 1 115 115 LEU HG H 1 1.902 . . . . . . . 115 L HG . 15531 1 1042 . 1 1 115 115 LEU C C 13 178.237 . . . . . . . 115 L C . 15531 1 1043 . 1 1 115 115 LEU CA C 13 56.380 . . . . . . . 115 L CA . 15531 1 1044 . 1 1 115 115 LEU CB C 13 42.328 . . . . . . . 115 L CB . 15531 1 1045 . 1 1 115 115 LEU CD1 C 13 25.312 . . . . . . . 115 L CD1 . 15531 1 1046 . 1 1 115 115 LEU CD2 C 13 22.884 . . . . . . . 115 L CD2 . 15531 1 1047 . 1 1 115 115 LEU CG C 13 26.479 . . 1 . . . . 115 L CG . 15531 1 1048 . 1 1 115 115 LEU N N 15 118.431 . . . . . . . 115 L N . 15531 1 1049 . 1 1 116 116 VAL H H 1 7.337 . . . . . . . 116 V HN . 15531 1 1050 . 1 1 116 116 VAL HA H 1 4.315 . . . . . . . 116 V HA . 15531 1 1051 . 1 1 116 116 VAL HB H 1 2.289 . . . . . . . 116 V HB . 15531 1 1052 . 1 1 116 116 VAL HG21 H 1 1.057 . . . . . . . 116 V HG21 . 15531 1 1053 . 1 1 116 116 VAL HG22 H 1 1.057 . . . . . . . 116 V HG21 . 15531 1 1054 . 1 1 116 116 VAL HG23 H 1 1.057 . . . . . . . 116 V HG21 . 15531 1 1055 . 1 1 116 116 VAL C C 13 175.981 . . . . . . . 116 V C . 15531 1 1056 . 1 1 116 116 VAL CA C 13 61.649 . . . . . . . 116 V CA . 15531 1 1057 . 1 1 116 116 VAL CB C 13 33.546 . . . . . . . 116 V CB . 15531 1 1058 . 1 1 116 116 VAL CG2 C 13 20.994 . . 2 . . . . 116 V CG2 . 15531 1 1059 . 1 1 116 116 VAL N N 15 114.743 . . . . . . . 116 V N . 15531 1 1060 . 1 1 117 117 ILE H H 1 7.215 . . . . . . . 117 I HN . 15531 1 1061 . 1 1 117 117 ILE HB H 1 1.876 . . . . . . . 117 I HB . 15531 1 1062 . 1 1 117 117 ILE HD11 H 1 0.849 . . . . . . . 117 I HD11 . 15531 1 1063 . 1 1 117 117 ILE HD12 H 1 0.849 . . . . . . . 117 I HD11 . 15531 1 1064 . 1 1 117 117 ILE HD13 H 1 0.849 . . . . . . . 117 I HD11 . 15531 1 1065 . 1 1 117 117 ILE HG12 H 1 1.480 . . . . . . . 117 I HG11 . 15531 1 1066 . 1 1 117 117 ILE HG13 H 1 1.200 . . . . . . . 117 I HG12 . 15531 1 1067 . 1 1 117 117 ILE HG21 H 1 0.907 . . . . . . . 117 I HG21 . 15531 1 1068 . 1 1 117 117 ILE HG22 H 1 0.907 . . . . . . . 117 I HG21 . 15531 1 1069 . 1 1 117 117 ILE HG23 H 1 0.907 . . . . . . . 117 I HG21 . 15531 1 1070 . 1 1 117 117 ILE CA C 13 58.193 . . . . . . . 117 I CA . 15531 1 1071 . 1 1 117 117 ILE CB C 13 37.116 . . . . . . . 117 I CB . 15531 1 1072 . 1 1 117 117 ILE CD1 C 13 12.752 . . . . . . . 117 I CD1 . 15531 1 1073 . 1 1 117 117 ILE CG2 C 13 17.551 . . . . . . . 117 I CG2 . 15531 1 1074 . 1 1 117 117 ILE N N 15 121.849 . . . . . . . 117 I N . 15531 1 1075 . 1 1 118 118 PRO HA H 1 4.662 . . . . . . . 118 P HA . 15531 1 1076 . 1 1 118 118 PRO HB2 H 1 2.661 . . . . . . . 118 P HB1 . 15531 1 1077 . 1 1 118 118 PRO HB3 H 1 2.392 . . . . . . . 118 P HB2 . 15531 1 1078 . 1 1 118 118 PRO C C 13 177.973 . . . . . . . 118 P C . 15531 1 1079 . 1 1 118 118 PRO CA C 13 62.235 . . . . . . . 118 P CA . 15531 1 1080 . 1 1 118 118 PRO CB C 13 32.375 . . . . . . . 118 P CB . 15531 1 1081 . 1 1 118 118 PRO CD C 13 50.621 . . . . . . . 118 P CD . 15531 1 1082 . 1 1 118 118 PRO CG C 13 27.824 . . . . . . . 118 P CG . 15531 1 1083 . 1 1 119 119 PHE H H 1 8.819 . . . . . . . 119 F HN . 15531 1 1084 . 1 1 119 119 PHE HA H 1 4.577 . . . . . . . 119 F HA . 15531 1 1085 . 1 1 119 119 PHE HB2 H 1 3.155 . . . . . . . 119 F HB1 . 15531 1 1086 . 1 1 119 119 PHE C C 13 176.140 . . . . . . . 119 F C . 15531 1 1087 . 1 1 119 119 PHE CA C 13 57.551 . . . . . . . 119 F CA . 15531 1 1088 . 1 1 119 119 PHE CB C 13 38.230 . . . . . . . 119 F CB . 15531 1 1089 . 1 1 119 119 PHE N N 15 120.371 . . . . . . . 119 F N . 15531 1 1090 . 1 1 120 120 ASP H H 1 8.142 . . . . . . . 120 D HN . 15531 1 1091 . 1 1 120 120 ASP HA H 1 5.020 . . . . . . . 120 D HA . 15531 1 1092 . 1 1 120 120 ASP HB2 H 1 2.870 . . . . . . . 120 D HB1 . 15531 1 1093 . 1 1 120 120 ASP HB3 H 1 2.664 . . . . . . . 120 D HB2 . 15531 1 1094 . 1 1 120 120 ASP C C 13 175.393 . . . . . . . 120 D C . 15531 1 1095 . 1 1 120 120 ASP CA C 13 52.867 . . . . . . . 120 D CA . 15531 1 1096 . 1 1 120 120 ASP CB C 13 42.328 . . . . . . . 120 D CB . 15531 1 1097 . 1 1 120 120 ASP N N 15 118.009 . . . . . . . 120 D N . 15531 1 1098 . 1 1 121 121 CYS H H 1 8.560 . . . . . . . 121 C HN . 15531 1 1099 . 1 1 121 121 CYS HA H 1 4.219 . . . . . . . 121 C HA . 15531 1 1100 . 1 1 121 121 CYS C C 13 178.656 . . . . . . . 121 C C . 15531 1 1101 . 1 1 121 121 CYS CA C 13 54.095 . . . . . . . 121 C CA . 15531 1 1102 . 1 1 121 121 CYS CB C 13 37.702 . . . . . . . 121 C CB . 15531 1 1103 . 1 1 121 121 CYS N N 15 115.514 . . . . . . . 121 C N . 15531 1 1104 . 1 1 122 122 TRP H H 1 10.758 . . . . . . . 122 W HN . 15531 1 1105 . 1 1 122 122 TRP HA H 1 4.713 . . . . . . . 122 W HA . 15531 1 1106 . 1 1 122 122 TRP HB2 H 1 3.014 . . . . . . . 122 W HB1 . 15531 1 1107 . 1 1 122 122 TRP HB3 H 1 3.001 . . . . . . . 122 W HB2 . 15531 1 1108 . 1 1 122 122 TRP C C 13 175.664 . . . . . . . 122 W C . 15531 1 1109 . 1 1 122 122 TRP N N 15 118.732 . . . . . . . 122 W N . 15531 1 1110 . 1 1 123 123 GLU H H 1 8.438 . . . . . . . 123 E HN . 15531 1 1111 . 1 1 123 123 GLU HA H 1 4.559 . . . . . . . 123 E HA . 15531 1 1112 . 1 1 123 123 GLU CA C 13 56.058 . . 1 . . . . 123 E CA . 15531 1 1113 . 1 1 123 123 GLU CB C 13 29.487 . . 1 . . . . 123 E CB . 15531 1 1114 . 1 1 123 123 GLU N N 15 123.827 . . . . . . . 123 E N . 15531 1 1115 . 1 1 124 124 PRO HA H 1 4.614 . . . . . . . 124 P HA . 15531 1 1116 . 1 1 124 124 PRO HB2 H 1 2.387 . . . . . . . 124 P HB1 . 15531 1 1117 . 1 1 124 124 PRO HB3 H 1 1.991 . . . . . . . 124 P HB2 . 15531 1 1118 . 1 1 124 124 PRO C C 13 176.732 . . . . . . . 124 P C . 15531 1 1119 . 1 1 124 124 PRO CA C 13 63.320 . . . . . . . 124 P CA . 15531 1 1120 . 1 1 124 124 PRO CB C 13 32.375 . . . . . . . 124 P CB . 15531 1 1121 . 1 1 124 124 PRO CD C 13 50.586 . . . . . . . 124 P CD . 15531 1 1122 . 1 1 124 124 PRO CG C 13 27.268 . . . . . . . 124 P CG . 15531 1 1123 . 1 1 125 125 VAL H H 1 8.626 . . . . . . . 125 V HN . 15531 1 1124 . 1 1 125 125 VAL HA H 1 4.132 . . . . . . . 125 V HA . 15531 1 1125 . 1 1 125 125 VAL HB H 1 2.138 . . . . . . . 125 V HB . 15531 1 1126 . 1 1 125 125 VAL HG21 H 1 1.040 . . . . . . . 125 V HG21 . 15531 1 1127 . 1 1 125 125 VAL HG22 H 1 1.040 . . . . . . . 125 V HG21 . 15531 1 1128 . 1 1 125 125 VAL HG23 H 1 1.040 . . . . . . . 125 V HG21 . 15531 1 1129 . 1 1 125 125 VAL C C 13 176.339 . . . . . . . 125 V C . 15531 1 1130 . 1 1 125 125 VAL CA C 13 62.527 . . . . . . . 125 V CA . 15531 1 1131 . 1 1 125 125 VAL CB C 13 32.375 . . . . . . . 125 V CB . 15531 1 1132 . 1 1 125 125 VAL CG2 C 13 21.135 . . . . . . . 125 V CG2 . 15531 1 1133 . 1 1 125 125 VAL N N 15 121.552 . . . . . . . 125 V N . 15531 1 1134 . 1 1 126 126 GLN H H 1 8.586 . . . . . . . 126 Q HN . 15531 1 1135 . 1 1 126 126 GLN HA H 1 4.419 . . . . . . . 126 Q HA . 15531 1 1136 . 1 1 126 126 GLN HB2 H 1 2.155 . . . . . . . 126 Q HB1 . 15531 1 1137 . 1 1 126 126 GLN HB3 H 1 2.048 . . . . . . . 126 Q HB2 . 15531 1 1138 . 1 1 126 126 GLN HE21 H 1 6.823 . . . . . . . 126 Q HE21 . 15531 1 1139 . 1 1 126 126 GLN HE22 H 1 7.214 . . . . . . . 126 Q HE22 . 15531 1 1140 . 1 1 126 126 GLN C C 13 174.894 . . . . . . . 126 Q C . 15531 1 1141 . 1 1 126 126 GLN CA C 13 55.794 . . . . . . . 126 Q CA . 15531 1 1142 . 1 1 126 126 GLN CB C 13 30.033 . . . . . . . 126 Q CB . 15531 1 1143 . 1 1 126 126 GLN CG C 13 33.739 . . . . . . . 126 Q CG . 15531 1 1144 . 1 1 126 126 GLN N N 15 125.501 . . . . . . . 126 Q N . 15531 1 1145 . 1 1 126 126 GLN NE2 N 15 111.138 . . . . . . . 126 Q NE2 . 15531 1 1146 . 1 1 127 127 GLU H H 1 8.225 . . . . . . . 127 E HN . 15531 1 1147 . 1 1 127 127 GLU HA H 1 4.143 . . . . . . . 127 E HA . 15531 1 1148 . 1 1 127 127 GLU CA C 13 58.193 . . . . . . . 127 E CA . 15531 1 1149 . 1 1 127 127 GLU CB C 13 31.261 . . . . . . . 127 E CB . 15531 1 1150 . 1 1 127 127 GLU N N 15 128.889 . . . . . . . 127 E N . 15531 1 stop_ save_