data_18636 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18636 _Entry.Title ; 1H, 13C and 15N resonance assignment of the soluble form of the Lipid-modified Azurin from Neisseria gonorrhoeae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-08-03 _Entry.Accession_date 2012-08-03 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Sofia Pauleta . R. . 18636 2 Manolis Matzapetakis . . . 18636 3 Claudia Nobrega . S. . 18636 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18636 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . Caparica . 18636 2 . ITQB . 18636 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18636 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 544 18636 '15N chemical shifts' 139 18636 '1H chemical shifts' 859 18636 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-19 2012-08-03 update BMRB 'update entry citation' 18636 1 . . 2012-10-18 2012-08-03 original author 'original release' 18636 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18636 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23070845 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignment of the soluble form of the Lipid-modified Azurin from Neisseria gonorrhoeae.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _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 311 _Citation.Page_last 314 _Citation.Year 2013 _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 Claudia Nobrega . S. . 18636 1 2 Manolis Matzapetakis . . . 18636 1 3 Sofia Pauleta . R. . 18636 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18636 _Assembly.ID 1 _Assembly.Name MS1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'free and bound' _Assembly.Molecular_mass 13630.2539 _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 Laz 1 $Laz A . yes native no no . . . 18636 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 Laz 1 CYS 6 6 SG . 1 Laz 1 CYS 29 29 SG . Laz 6 CYS SG . Laz 29 CYS SG 18636 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Laz _Entity.Sf_category entity _Entity.Sf_framecode Laz _Entity.Entry_ID 18636 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Laz _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ATAGNCAATVESNDNMQFNT KDIQVSKACKEFTITLKHTG TQPKASMGHNLVIAKAEDMD GVFKDGVGAADTDYVKPDDA RVVAHTKLIGGGEESSLTLD PAKLADGDYKFACTFPGHGA LMNGKVTLVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13630.2539 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3AY2 . "Crystal Structure Of Neisserial Azurin" . . . . . 98.46 167 100.00 100.00 2.44e-88 . . . . 18636 1 2 no EMBL CAA29561 . "unnamed protein product [Neisseria gonorrhoeae]" . . . . . 98.46 183 100.00 100.00 3.93e-88 . . . . 18636 1 3 no EMBL CAA68589 . "unnamed protein product [Neisseria meningitidis]" . . . . . 98.46 183 100.00 100.00 2.46e-88 . . . . 18636 1 4 no EMBL CAM10669 . "H.8 outer membrane protein [Neisseria meningitidis FAM18]" . . . . . 98.46 201 100.00 100.00 2.29e-87 . . . . 18636 1 5 no EMBL CAX49737 . "H.8 outer-membrane lipoprotein [Neisseria meningitidis 8013]" . . . . . 98.46 183 100.00 100.00 2.46e-88 . . . . 18636 1 6 no EMBL CBA03903 . "Azurin [Neisseria meningitidis alpha275]" . . . . . 98.46 174 98.44 99.22 3.75e-87 . . . . 18636 1 7 no GB AAF41888 . "H.8 outer membrane protein [Neisseria meningitidis MC58]" . . . . . 98.46 183 98.44 100.00 2.62e-87 . . . . 18636 1 8 no GB AAW89678 . "membrane protein [Neisseria gonorrhoeae FA 1090]" . . . . . 98.46 183 100.00 100.00 3.93e-88 . . . . 18636 1 9 no GB ABX73607 . "H.8 outer membrane protein [Neisseria meningitidis 053442]" . . . . . 98.46 183 97.66 99.22 1.32e-86 . . . . 18636 1 10 no GB ACF29476 . "H.8 outer membrane protein [Neisseria gonorrhoeae NCCP11945]" . . . . . 98.46 201 100.00 100.00 2.01e-87 . . . . 18636 1 11 no GB ADO31997 . "H.8 outer membrane protein [Neisseria meningitidis alpha710]" . . . . . 97.69 183 98.43 100.00 7.81e-87 . . . . 18636 1 12 no PRF 1406258A . "gonococcal H.8 antigen" . . . . . 98.46 183 100.00 100.00 3.93e-88 . . . . 18636 1 13 no REF NP_274540 . "outer membrane protein [Neisseria meningitidis MC58]" . . . . . 98.46 183 98.44 100.00 2.62e-87 . . . . 18636 1 14 no REF WP_002212858 . "membrane protein [Neisseria meningitidis]" . . . . . 98.46 188 99.22 99.22 3.27e-87 . . . . 18636 1 15 no REF WP_002219011 . "membrane protein [Neisseria meningitidis]" . . . . . 97.69 183 98.43 100.00 7.81e-87 . . . . 18636 1 16 no REF WP_002220564 . "hypothetical protein [Neisseria meningitidis]" . . . . . 98.46 183 99.22 100.00 7.01e-88 . . . . 18636 1 17 no REF WP_002222228 . "membrane protein [Neisseria meningitidis]" . . . . . 98.46 183 99.22 100.00 1.06e-87 . . . . 18636 1 18 no SP P07211 . "RecName: Full=Outer membrane protein H.8; Flags: Precursor" . . . . . 98.46 183 100.00 100.00 3.93e-88 . . . . 18636 1 19 no SP P07212 . "RecName: Full=Outer membrane protein H.8; Flags: Precursor" . . . . . 98.46 183 100.00 100.00 2.46e-88 . . . . 18636 1 20 no SP P57026 . "RecName: Full=Outer membrane protein H.8; Flags: Precursor" . . . . . 98.46 183 98.44 100.00 2.62e-87 . . . . 18636 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 . 18636 1 2 . THR . 18636 1 3 . ALA . 18636 1 4 . GLY . 18636 1 5 . ASN . 18636 1 6 . CYS . 18636 1 7 . ALA . 18636 1 8 . ALA . 18636 1 9 . THR . 18636 1 10 . VAL . 18636 1 11 . GLU . 18636 1 12 . SER . 18636 1 13 . ASN . 18636 1 14 . ASP . 18636 1 15 . ASN . 18636 1 16 . MET . 18636 1 17 . GLN . 18636 1 18 . PHE . 18636 1 19 . ASN . 18636 1 20 . THR . 18636 1 21 . LYS . 18636 1 22 . ASP . 18636 1 23 . ILE . 18636 1 24 . GLN . 18636 1 25 . VAL . 18636 1 26 . SER . 18636 1 27 . LYS . 18636 1 28 . ALA . 18636 1 29 . CYS . 18636 1 30 . LYS . 18636 1 31 . GLU . 18636 1 32 . PHE . 18636 1 33 . THR . 18636 1 34 . ILE . 18636 1 35 . THR . 18636 1 36 . LEU . 18636 1 37 . LYS . 18636 1 38 . HIS . 18636 1 39 . THR . 18636 1 40 . GLY . 18636 1 41 . THR . 18636 1 42 . GLN . 18636 1 43 . PRO . 18636 1 44 . LYS . 18636 1 45 . ALA . 18636 1 46 . SER . 18636 1 47 . MET . 18636 1 48 . GLY . 18636 1 49 . HIS . 18636 1 50 . ASN . 18636 1 51 . LEU . 18636 1 52 . VAL . 18636 1 53 . ILE . 18636 1 54 . ALA . 18636 1 55 . LYS . 18636 1 56 . ALA . 18636 1 57 . GLU . 18636 1 58 . ASP . 18636 1 59 . MET . 18636 1 60 . ASP . 18636 1 61 . GLY . 18636 1 62 . VAL . 18636 1 63 . PHE . 18636 1 64 . LYS . 18636 1 65 . ASP . 18636 1 66 . GLY . 18636 1 67 . VAL . 18636 1 68 . GLY . 18636 1 69 . ALA . 18636 1 70 . ALA . 18636 1 71 . ASP . 18636 1 72 . THR . 18636 1 73 . ASP . 18636 1 74 . TYR . 18636 1 75 . VAL . 18636 1 76 . LYS . 18636 1 77 . PRO . 18636 1 78 . ASP . 18636 1 79 . ASP . 18636 1 80 . ALA . 18636 1 81 . ARG . 18636 1 82 . VAL . 18636 1 83 . VAL . 18636 1 84 . ALA . 18636 1 85 . HIS . 18636 1 86 . THR . 18636 1 87 . LYS . 18636 1 88 . LEU . 18636 1 89 . ILE . 18636 1 90 . GLY . 18636 1 91 . GLY . 18636 1 92 . GLY . 18636 1 93 . GLU . 18636 1 94 . GLU . 18636 1 95 . SER . 18636 1 96 . SER . 18636 1 97 . LEU . 18636 1 98 . THR . 18636 1 99 . LEU . 18636 1 100 . ASP . 18636 1 101 . PRO . 18636 1 102 . ALA . 18636 1 103 . LYS . 18636 1 104 . LEU . 18636 1 105 . ALA . 18636 1 106 . ASP . 18636 1 107 . GLY . 18636 1 108 . ASP . 18636 1 109 . TYR . 18636 1 110 . LYS . 18636 1 111 . PHE . 18636 1 112 . ALA . 18636 1 113 . CYS . 18636 1 114 . THR . 18636 1 115 . PHE . 18636 1 116 . PRO . 18636 1 117 . GLY . 18636 1 118 . HIS . 18636 1 119 . GLY . 18636 1 120 . ALA . 18636 1 121 . LEU . 18636 1 122 . MET . 18636 1 123 . ASN . 18636 1 124 . GLY . 18636 1 125 . LYS . 18636 1 126 . VAL . 18636 1 127 . THR . 18636 1 128 . LEU . 18636 1 129 . VAL . 18636 1 130 . ASP . 18636 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 18636 1 . THR 2 2 18636 1 . ALA 3 3 18636 1 . GLY 4 4 18636 1 . ASN 5 5 18636 1 . CYS 6 6 18636 1 . ALA 7 7 18636 1 . ALA 8 8 18636 1 . THR 9 9 18636 1 . VAL 10 10 18636 1 . GLU 11 11 18636 1 . SER 12 12 18636 1 . ASN 13 13 18636 1 . ASP 14 14 18636 1 . ASN 15 15 18636 1 . MET 16 16 18636 1 . GLN 17 17 18636 1 . PHE 18 18 18636 1 . ASN 19 19 18636 1 . THR 20 20 18636 1 . LYS 21 21 18636 1 . ASP 22 22 18636 1 . ILE 23 23 18636 1 . GLN 24 24 18636 1 . VAL 25 25 18636 1 . SER 26 26 18636 1 . LYS 27 27 18636 1 . ALA 28 28 18636 1 . CYS 29 29 18636 1 . LYS 30 30 18636 1 . GLU 31 31 18636 1 . PHE 32 32 18636 1 . THR 33 33 18636 1 . ILE 34 34 18636 1 . THR 35 35 18636 1 . LEU 36 36 18636 1 . LYS 37 37 18636 1 . HIS 38 38 18636 1 . THR 39 39 18636 1 . GLY 40 40 18636 1 . THR 41 41 18636 1 . GLN 42 42 18636 1 . PRO 43 43 18636 1 . LYS 44 44 18636 1 . ALA 45 45 18636 1 . SER 46 46 18636 1 . MET 47 47 18636 1 . GLY 48 48 18636 1 . HIS 49 49 18636 1 . ASN 50 50 18636 1 . LEU 51 51 18636 1 . VAL 52 52 18636 1 . ILE 53 53 18636 1 . ALA 54 54 18636 1 . LYS 55 55 18636 1 . ALA 56 56 18636 1 . GLU 57 57 18636 1 . ASP 58 58 18636 1 . MET 59 59 18636 1 . ASP 60 60 18636 1 . GLY 61 61 18636 1 . VAL 62 62 18636 1 . PHE 63 63 18636 1 . LYS 64 64 18636 1 . ASP 65 65 18636 1 . GLY 66 66 18636 1 . VAL 67 67 18636 1 . GLY 68 68 18636 1 . ALA 69 69 18636 1 . ALA 70 70 18636 1 . ASP 71 71 18636 1 . THR 72 72 18636 1 . ASP 73 73 18636 1 . TYR 74 74 18636 1 . VAL 75 75 18636 1 . LYS 76 76 18636 1 . PRO 77 77 18636 1 . ASP 78 78 18636 1 . ASP 79 79 18636 1 . ALA 80 80 18636 1 . ARG 81 81 18636 1 . VAL 82 82 18636 1 . VAL 83 83 18636 1 . ALA 84 84 18636 1 . HIS 85 85 18636 1 . THR 86 86 18636 1 . LYS 87 87 18636 1 . LEU 88 88 18636 1 . ILE 89 89 18636 1 . GLY 90 90 18636 1 . GLY 91 91 18636 1 . GLY 92 92 18636 1 . GLU 93 93 18636 1 . GLU 94 94 18636 1 . SER 95 95 18636 1 . SER 96 96 18636 1 . LEU 97 97 18636 1 . THR 98 98 18636 1 . LEU 99 99 18636 1 . ASP 100 100 18636 1 . PRO 101 101 18636 1 . ALA 102 102 18636 1 . LYS 103 103 18636 1 . LEU 104 104 18636 1 . ALA 105 105 18636 1 . ASP 106 106 18636 1 . GLY 107 107 18636 1 . ASP 108 108 18636 1 . TYR 109 109 18636 1 . LYS 110 110 18636 1 . PHE 111 111 18636 1 . ALA 112 112 18636 1 . CYS 113 113 18636 1 . THR 114 114 18636 1 . PHE 115 115 18636 1 . PRO 116 116 18636 1 . GLY 117 117 18636 1 . HIS 118 118 18636 1 . GLY 119 119 18636 1 . ALA 120 120 18636 1 . LEU 121 121 18636 1 . MET 122 122 18636 1 . ASN 123 123 18636 1 . GLY 124 124 18636 1 . LYS 125 125 18636 1 . VAL 126 126 18636 1 . THR 127 127 18636 1 . LEU 128 128 18636 1 . VAL 129 129 18636 1 . ASP 130 130 18636 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 18636 _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 $Laz . 485 organism . 'Neisseria gonorrhoeae' b-proteobacteria . . Bacteria . Neisseria gonorrhoeae . . . . . . . . . . . . . . . . Laz . . . . 18636 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 18636 _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 $Laz . 'recombinant technology' undefined undefined . . . . E.coli . . . . . BL21(DE3) . . . . . . . . . pET21c . . . . . . 18636 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15NLaz _Sample.Sf_category sample _Sample.Sf_framecode 13C15NLaz _Sample.Entry_ID 18636 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Laz '[U-98% 13C; U-98% 15N]' . . 1 $Laz . . 1.5 . . mM . . . . 18636 1 2 Phosphate 'natural abundance' . . . . . . 20.0 . . mM . . . . 18636 1 3 Azide 'natural abundance' . . . . . . 1.0 . . mM . . . . 18636 1 4 Ascorbate 'natural abundance' . . . . . . 5.0 . . mM . . . . 18636 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18636 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18636 1 stop_ save_ save_15NLaz _Sample.Sf_category sample _Sample.Sf_framecode 15NLaz _Sample.Entry_ID 18636 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Laz '[U-98% 15N]' . . 1 $Laz . . 1.0 . . mM . . . . 18636 2 2 Phosphate 'natural abundance' . . . . . . 20 . . mM . . . . 18636 2 3 Azide 'natural abundance' . . . . . . 1 . . mM . . . . 18636 2 4 Ascorbate 'natural abundance' . . . . . . 5 . . mM . . . . 18636 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18636 2 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18636 2 stop_ save_ ####################### # Sample conditions # ####################### save_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 1 _Sample_condition_list.Entry_ID 18636 _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' 0.035 . M 18636 1 pH 7.000 . pH 18636 1 pressure 1.000 . atm 18636 1 temperature 298.000 . K 18636 1 stop_ save_ ############################ # Computer software used # ############################ save_Cara _Software.Sf_category software _Software.Sf_framecode Cara _Software.Entry_ID 18636 _Software.ID 1 _Software.Name CARA _Software.Version 1.8 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18636 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Assignment 18636 1 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 18636 _Software.ID 2 _Software.Name ANALYSIS _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 18636 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18636 2 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 18636 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18636 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Processing 18636 3 stop_ save_ save_assignment_1 _Method.Sf_category method _Method.Sf_framecode assignment_1 _Method.Entry_ID 18636 _Method.ID 1 _Method.Derivation_type . _Method.Details assignment _Method.Computer_ID . _Method.Computer_label . save_ save_assignment_1_2 _Method.Sf_category method _Method.Sf_framecode assignment_1_2 _Method.Entry_ID 18636 _Method.ID 2 _Method.Derivation_type . _Method.Details assignment _Method.Computer_ID . _Method.Computer_label . save_ save_processing _Method.Sf_category method _Method.Sf_framecode processing _Method.Entry_ID 18636 _Method.ID 3 _Method.Derivation_type . _Method.Details processing _Method.Computer_ID . _Method.Computer_label . 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 18636 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18636 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 18636 _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 . 800 . . . 18636 1 2 spectrometer_2 Bruker Avance . 600 . . . 18636 1 stop_ save_ save_TXI _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode TXI _NMR_spectrometer_probe.Entry_ID 18636 _NMR_spectrometer_probe.ID 1 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model . _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 18636 1 stop_ save_ save_TCI _NMR_spectrometer_probe.Sf_category NMR_spectrometer_probe _NMR_spectrometer_probe.Sf_framecode TCI _NMR_spectrometer_probe.Entry_ID 18636 _NMR_spectrometer_probe.ID 2 _NMR_spectrometer_probe.Details . _NMR_spectrometer_probe.Manufacturer Bruker _NMR_spectrometer_probe.Model cryo _NMR_spectrometer_probe.Serial_number . _NMR_spectrometer_probe.Diameter . _NMR_spectrometer_probe.Rotor_length . _NMR_spectrometer_probe.Rotor_composition . _NMR_spectrometer_probe.Internal_volume . _NMR_spectrometer_probe.Spacer_present . loop_ _NMR_probe.Type _NMR_probe.Entry_ID _NMR_probe.NMR_spectrometer_probe_ID liquid 18636 2 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18636 _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 '15N HSQC' no . . . . . . . . . . 1 $13C15NLaz isotropic . . 1 $1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18636 1 2 b_HNCO no . . . . . . . . . . 1 $13C15NLaz isotropic . . 1 $1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18636 1 3 b_HNcaCo no . . . . . . . . . . 1 $13C15NLaz isotropic . . 1 $1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18636 1 4 b_HNcoCACB no . . . . . . . . . . 1 $13C15NLaz isotropic . . 1 $1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18636 1 5 b_HNCACB no . . . . . . . . . . 1 $13C15NLaz isotropic . . 1 $1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18636 1 6 13C_HSQC no . . . . . . . . . . 1 $13C15NLaz isotropic . . 1 $1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18636 1 7 hCCH_TOCSY no . . . . . . . . . . 1 $13C15NLaz isotropic . . 1 $1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18636 1 8 HNHA no . . . . . . . . . . 2 $15NLaz isotropic . . 1 $1 . . . 2 $spectrometer_2 2 $TCI . . . . . . . . . . . . . . 18636 1 9 '13C HSQC NOESY' no . . . . . . . . . . 1 $13C15NLaz isotropic . . 1 $1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18636 1 10 '15N HSQC NOESY' no . . . . . . . . . . 1 $13C15NLaz isotropic . . 1 $1 . . . 1 $spectrometer_1 1 $TXI . . . . . . . . . . . . . . 18636 1 11 'J2 HSQC' no . . . . . . . . . . 1 $13C15NLaz isotropic . . 1 $1 . . . 2 $spectrometer_2 2 $TCI . . . . . . . . . . . . . . 18636 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 18636 _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 na indirect 0.251449530 . . . . . . . . . 18636 1 H 1 HDO protons . . . . ppm 4.7 internal indirect 1.0 . . . . . . . . . 18636 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18636 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18636 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $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 'Origin xeasy file E:/Projects/Laz/cara/Laz5.prot' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '15N HSQC' 1 $13C15NLaz isotropic 18636 1 2 b_HNCO 1 $13C15NLaz isotropic 18636 1 3 b_HNcaCo 1 $13C15NLaz isotropic 18636 1 4 b_HNcoCACB 1 $13C15NLaz isotropic 18636 1 5 b_HNCACB 1 $13C15NLaz isotropic 18636 1 6 13C_HSQC 1 $13C15NLaz isotropic 18636 1 7 hCCH_TOCSY 1 $13C15NLaz isotropic 18636 1 8 HNHA 2 $15NLaz isotropic 18636 1 9 '13C HSQC NOESY' 1 $13C15NLaz isotropic 18636 1 10 '15N HSQC NOESY' 1 $13C15NLaz isotropic 18636 1 11 'J2 HSQC' 1 $13C15NLaz isotropic 18636 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.135 0.02 . 1 . 4 . . 1 ALA HA . 18636 1 2 . 1 1 1 1 ALA HB1 H 1 1.192 0.02 . 1 . 5 . . 1 ALA HB1 . 18636 1 3 . 1 1 1 1 ALA HB2 H 1 1.192 0.02 . 1 . 5 . . 1 ALA HB2 . 18636 1 4 . 1 1 1 1 ALA HB3 H 1 1.192 0.02 . 1 . 5 . . 1 ALA HB3 . 18636 1 5 . 1 1 1 1 ALA C C 13 177.975 0.30 . 1 . 1 . . 1 ALA C . 18636 1 6 . 1 1 1 1 ALA CA C 13 52.053 0.30 . 1 . 2 . . 1 ALA CA . 18636 1 7 . 1 1 1 1 ALA CB C 13 19.146 0.30 . 1 . 3 . . 1 ALA CB . 18636 1 8 . 1 1 2 2 THR H H 1 7.889 0.02 . 1 . 10 . . 2 THR H . 18636 1 9 . 1 1 2 2 THR HA H 1 4.175 0.02 . 1 . 11 . . 2 THR HA . 18636 1 10 . 1 1 2 2 THR HB H 1 4.101 0.02 . 1 . 12 . . 2 THR HB . 18636 1 11 . 1 1 2 2 THR HG21 H 1 1.053 0.02 . 1 . 13 . . 2 THR HG21 . 18636 1 12 . 1 1 2 2 THR HG22 H 1 1.053 0.02 . 1 . 13 . . 2 THR HG22 . 18636 1 13 . 1 1 2 2 THR HG23 H 1 1.053 0.02 . 1 . 13 . . 2 THR HG23 . 18636 1 14 . 1 1 2 2 THR C C 13 174.361 0.30 . 1 . 6 . . 2 THR C . 18636 1 15 . 1 1 2 2 THR CA C 13 61.490 0.30 . 1 . 7 . . 2 THR CA . 18636 1 16 . 1 1 2 2 THR CB C 13 69.846 0.30 . 1 . 8 . . 2 THR CB . 18636 1 17 . 1 1 2 2 THR CG2 C 13 21.584 0.30 . 1 . 9 . . 2 THR CG2 . 18636 1 18 . 1 1 2 2 THR N N 15 112.599 0.30 . 1 . 14 . . 2 THR N . 18636 1 19 . 1 1 3 3 ALA H H 1 8.362 0.02 . 1 . 18 . . 3 ALA H . 18636 1 20 . 1 1 3 3 ALA HA H 1 4.210 0.02 . 1 . 19 . . 3 ALA HA . 18636 1 21 . 1 1 3 3 ALA HB1 H 1 1.253 0.02 . 1 . 20 . . 3 ALA HB1 . 18636 1 22 . 1 1 3 3 ALA HB2 H 1 1.253 0.02 . 1 . 20 . . 3 ALA HB2 . 18636 1 23 . 1 1 3 3 ALA HB3 H 1 1.253 0.02 . 1 . 20 . . 3 ALA HB3 . 18636 1 24 . 1 1 3 3 ALA C C 13 177.831 0.30 . 1 . 15 . . 3 ALA C . 18636 1 25 . 1 1 3 3 ALA CA C 13 52.482 0.30 . 1 . 16 . . 3 ALA CA . 18636 1 26 . 1 1 3 3 ALA CB C 13 19.315 0.30 . 1 . 17 . . 3 ALA CB . 18636 1 27 . 1 1 3 3 ALA N N 15 127.234 0.30 . 1 . 21 . . 3 ALA N . 18636 1 28 . 1 1 4 4 GLY H H 1 8.254 0.02 . 1 . 24 . . 4 GLY H . 18636 1 29 . 1 1 4 4 GLY HA2 H 1 3.808 0.02 . 1 . 1314 . . 4 GLY HA2 . 18636 1 30 . 1 1 4 4 GLY HA3 H 1 3.808 0.02 . 1 . 25 . . 4 GLY HA3 . 18636 1 31 . 1 1 4 4 GLY C C 13 173.754 0.30 . 1 . 22 . . 4 GLY C . 18636 1 32 . 1 1 4 4 GLY CA C 13 45.086 0.30 . 1 . 23 . . 4 GLY CA . 18636 1 33 . 1 1 4 4 GLY N N 15 108.381 0.30 . 1 . 26 . . 4 GLY N . 18636 1 34 . 1 1 5 5 ASN H H 1 8.260 0.02 . 1 . 31 . . 5 ASN H . 18636 1 35 . 1 1 5 5 ASN HA H 1 4.615 0.02 . 1 . 32 . . 5 ASN HA . 18636 1 36 . 1 1 5 5 ASN HB2 H 1 2.681 0.02 . 1 . 1315 . . 5 ASN HB2 . 18636 1 37 . 1 1 5 5 ASN HB3 H 1 2.681 0.02 . 1 . 33 . . 5 ASN HB3 . 18636 1 38 . 1 1 5 5 ASN HD21 H 1 7.455 0.02 . 1 . 34 . . 5 ASN HD21 . 18636 1 39 . 1 1 5 5 ASN HD22 H 1 6.755 0.02 . 1 . 35 . . 5 ASN HD22 . 18636 1 40 . 1 1 5 5 ASN C C 13 175.553 0.30 . 1 . 27 . . 5 ASN C . 18636 1 41 . 1 1 5 5 ASN CA C 13 53.728 0.30 . 1 . 28 . . 5 ASN CA . 18636 1 42 . 1 1 5 5 ASN CB C 13 38.443 0.30 . 1 . 29 . . 5 ASN CB . 18636 1 43 . 1 1 5 5 ASN CG C 13 176.979 0.30 . 1 . 30 . . 5 ASN CG . 18636 1 44 . 1 1 5 5 ASN N N 15 118.196 0.30 . 1 . 36 . . 5 ASN N . 18636 1 45 . 1 1 5 5 ASN ND2 N 15 112.424 0.30 . 1 . 37 . . 5 ASN ND2 . 18636 1 46 . 1 1 6 6 CYS HA H 1 4.771 0.02 . 1 . 41 . . 6 CYS HA . 18636 1 47 . 1 1 6 6 CYS HB2 H 1 3.921 0.02 . 1 . 42 . . 6 CYS HB2 . 18636 1 48 . 1 1 6 6 CYS HB3 H 1 3.921 0.02 . 1 . 1316 . . 6 CYS HB3 . 18636 1 49 . 1 1 6 6 CYS C C 13 172.749 0.30 . 1 . 38 . . 6 CYS C . 18636 1 50 . 1 1 6 6 CYS CA C 13 54.276 0.30 . 1 . 39 . . 6 CYS CA . 18636 1 51 . 1 1 6 6 CYS CB C 13 38.959 0.30 . 1 . 40 . . 6 CYS CB . 18636 1 52 . 1 1 7 7 ALA H H 1 7.019 0.02 . 1 . 46 . . 7 ALA H . 18636 1 53 . 1 1 7 7 ALA HA H 1 4.462 0.02 . 1 . 47 . . 7 ALA HA . 18636 1 54 . 1 1 7 7 ALA HB1 H 1 0.876 0.02 . 1 . 48 . . 7 ALA HB1 . 18636 1 55 . 1 1 7 7 ALA HB2 H 1 0.876 0.02 . 1 . 48 . . 7 ALA HB2 . 18636 1 56 . 1 1 7 7 ALA HB3 H 1 0.876 0.02 . 1 . 48 . . 7 ALA HB3 . 18636 1 57 . 1 1 7 7 ALA C C 13 175.574 0.30 . 1 . 43 . . 7 ALA C . 18636 1 58 . 1 1 7 7 ALA CA C 13 50.293 0.30 . 1 . 44 . . 7 ALA CA . 18636 1 59 . 1 1 7 7 ALA CB C 13 22.153 0.30 . 1 . 45 . . 7 ALA CB . 18636 1 60 . 1 1 7 7 ALA N N 15 120.860 0.30 . 1 . 49 . . 7 ALA N . 18636 1 61 . 1 1 8 8 ALA H H 1 8.171 0.02 . 1 . 53 . . 8 ALA H . 18636 1 62 . 1 1 8 8 ALA HA H 1 4.570 0.02 . 1 . 54 . . 8 ALA HA . 18636 1 63 . 1 1 8 8 ALA HB1 H 1 1.284 0.02 . 1 . 55 . . 8 ALA HB1 . 18636 1 64 . 1 1 8 8 ALA HB2 H 1 1.284 0.02 . 1 . 55 . . 8 ALA HB2 . 18636 1 65 . 1 1 8 8 ALA HB3 H 1 1.284 0.02 . 1 . 55 . . 8 ALA HB3 . 18636 1 66 . 1 1 8 8 ALA C C 13 176.008 0.30 . 1 . 50 . . 8 ALA C . 18636 1 67 . 1 1 8 8 ALA CA C 13 51.217 0.30 . 1 . 51 . . 8 ALA CA . 18636 1 68 . 1 1 8 8 ALA CB C 13 22.634 0.30 . 1 . 52 . . 8 ALA CB . 18636 1 69 . 1 1 8 8 ALA N N 15 121.083 0.30 . 1 . 56 . . 8 ALA N . 18636 1 70 . 1 1 9 9 THR H H 1 8.592 0.02 . 1 . 61 . . 9 THR H . 18636 1 71 . 1 1 9 9 THR HA H 1 4.991 0.02 . 1 . 62 . . 9 THR HA . 18636 1 72 . 1 1 9 9 THR HB H 1 3.727 0.02 . 1 . 63 . . 9 THR HB . 18636 1 73 . 1 1 9 9 THR HG21 H 1 0.895 0.02 . 1 . 64 . . 9 THR HG21 . 18636 1 74 . 1 1 9 9 THR HG22 H 1 0.895 0.02 . 1 . 64 . . 9 THR HG22 . 18636 1 75 . 1 1 9 9 THR HG23 H 1 0.895 0.02 . 1 . 64 . . 9 THR HG23 . 18636 1 76 . 1 1 9 9 THR C C 13 173.211 0.30 . 1 . 57 . . 9 THR C . 18636 1 77 . 1 1 9 9 THR CA C 13 61.343 0.30 . 1 . 58 . . 9 THR CA . 18636 1 78 . 1 1 9 9 THR CB C 13 70.478 0.30 . 1 . 59 . . 9 THR CB . 18636 1 79 . 1 1 9 9 THR CG2 C 13 21.741 0.30 . 1 . 60 . . 9 THR CG2 . 18636 1 80 . 1 1 9 9 THR N N 15 117.868 0.30 . 1 . 65 . . 9 THR N . 18636 1 81 . 1 1 10 10 VAL H H 1 9.339 0.02 . 1 . 71 . . 10 VAL H . 18636 1 82 . 1 1 10 10 VAL HA H 1 3.997 0.02 . 1 . 72 . . 10 VAL HA . 18636 1 83 . 1 1 10 10 VAL HB H 1 1.310 0.02 . 1 . 73 . . 10 VAL HB . 18636 1 84 . 1 1 10 10 VAL HG11 H 1 0.430 0.02 . 2 . 74 . . 10 VAL HG11 . 18636 1 85 . 1 1 10 10 VAL HG12 H 1 0.430 0.02 . 2 . 74 . . 10 VAL HG12 . 18636 1 86 . 1 1 10 10 VAL HG13 H 1 0.430 0.02 . 2 . 74 . . 10 VAL HG13 . 18636 1 87 . 1 1 10 10 VAL HG21 H 1 0.191 0.02 . 2 . 75 . . 10 VAL HG21 . 18636 1 88 . 1 1 10 10 VAL HG22 H 1 0.191 0.02 . 2 . 75 . . 10 VAL HG22 . 18636 1 89 . 1 1 10 10 VAL HG23 H 1 0.191 0.02 . 2 . 75 . . 10 VAL HG23 . 18636 1 90 . 1 1 10 10 VAL C C 13 173.364 0.30 . 1 . 66 . . 10 VAL C . 18636 1 91 . 1 1 10 10 VAL CA C 13 60.772 0.30 . 1 . 67 . . 10 VAL CA . 18636 1 92 . 1 1 10 10 VAL CB C 13 34.236 0.30 . 1 . 68 . . 10 VAL CB . 18636 1 93 . 1 1 10 10 VAL CG1 C 13 21.287 0.30 . 2 . 69 . . 10 VAL CG1 . 18636 1 94 . 1 1 10 10 VAL CG2 C 13 20.373 0.30 . 2 . 70 . . 10 VAL CG2 . 18636 1 95 . 1 1 10 10 VAL N N 15 129.960 0.30 . 1 . 76 . . 10 VAL N . 18636 1 96 . 1 1 11 11 GLU H H 1 8.115 0.02 . 1 . 81 . . 11 GLU H . 18636 1 97 . 1 1 11 11 GLU HA H 1 5.212 0.02 . 1 . 82 . . 11 GLU HA . 18636 1 98 . 1 1 11 11 GLU HB2 H 1 1.888 0.02 . 2 . 83 . . 11 GLU HB2 . 18636 1 99 . 1 1 11 11 GLU HB3 H 1 1.479 0.02 . 2 . 84 . . 11 GLU HB3 . 18636 1 100 . 1 1 11 11 GLU HG2 H 1 2.179 0.02 . 2 . 85 . . 11 GLU HG2 . 18636 1 101 . 1 1 11 11 GLU HG3 H 1 1.849 0.02 . 2 . 86 . . 11 GLU HG3 . 18636 1 102 . 1 1 11 11 GLU C C 13 175.224 0.30 . 1 . 77 . . 11 GLU C . 18636 1 103 . 1 1 11 11 GLU CA C 13 54.101 0.30 . 1 . 78 . . 11 GLU CA . 18636 1 104 . 1 1 11 11 GLU CB C 13 32.134 0.30 . 1 . 79 . . 11 GLU CB . 18636 1 105 . 1 1 11 11 GLU CG C 13 36.253 0.30 . 1 . 80 . . 11 GLU CG . 18636 1 106 . 1 1 11 11 GLU N N 15 123.147 0.30 . 1 . 87 . . 11 GLU N . 18636 1 107 . 1 1 12 12 SER H H 1 8.793 0.02 . 1 . 91 . . 12 SER H . 18636 1 108 . 1 1 12 12 SER HA H 1 5.199 0.02 . 1 . 92 . . 12 SER HA . 18636 1 109 . 1 1 12 12 SER HB2 H 1 3.303 0.02 . 2 . 93 . . 12 SER HB2 . 18636 1 110 . 1 1 12 12 SER HB3 H 1 2.933 0.02 . 2 . 94 . . 12 SER HB3 . 18636 1 111 . 1 1 12 12 SER C C 13 172.748 0.30 . 1 . 88 . . 12 SER C . 18636 1 112 . 1 1 12 12 SER CA C 13 55.949 0.30 . 1 . 89 . . 12 SER CA . 18636 1 113 . 1 1 12 12 SER CB C 13 67.068 0.30 . 1 . 90 . . 12 SER CB . 18636 1 114 . 1 1 12 12 SER N N 15 115.944 0.30 . 1 . 95 . . 12 SER N . 18636 1 115 . 1 1 13 13 ASN H H 1 6.950 0.02 . 1 . 100 . . 13 ASN H . 18636 1 116 . 1 1 13 13 ASN HA H 1 4.784 0.02 . 1 . 101 . . 13 ASN HA . 18636 1 117 . 1 1 13 13 ASN HB2 H 1 3.191 0.02 . 2 . 102 . . 13 ASN HB2 . 18636 1 118 . 1 1 13 13 ASN HB3 H 1 2.697 0.02 . 2 . 103 . . 13 ASN HB3 . 18636 1 119 . 1 1 13 13 ASN HD21 H 1 7.344 0.02 . 1 . 104 . . 13 ASN HD21 . 18636 1 120 . 1 1 13 13 ASN HD22 H 1 6.963 0.02 . 1 . 105 . . 13 ASN HD22 . 18636 1 121 . 1 1 13 13 ASN C C 13 176.189 0.30 . 1 . 96 . . 13 ASN C . 18636 1 122 . 1 1 13 13 ASN CA C 13 52.171 0.30 . 1 . 97 . . 13 ASN CA . 18636 1 123 . 1 1 13 13 ASN CB C 13 39.730 0.30 . 1 . 98 . . 13 ASN CB . 18636 1 124 . 1 1 13 13 ASN CG C 13 177.087 0.30 . 1 . 99 . . 13 ASN CG . 18636 1 125 . 1 1 13 13 ASN N N 15 116.313 0.30 . 1 . 106 . . 13 ASN N . 18636 1 126 . 1 1 13 13 ASN ND2 N 15 111.828 0.30 . 1 . 107 . . 13 ASN ND2 . 18636 1 127 . 1 1 14 14 ASP H H 1 8.232 0.02 . 1 . 111 . . 14 ASP H . 18636 1 128 . 1 1 14 14 ASP HA H 1 4.860 0.02 . 1 . 112 . . 14 ASP HA . 18636 1 129 . 1 1 14 14 ASP HB2 H 1 2.408 0.02 . 1 . 1317 . . 14 ASP HB2 . 18636 1 130 . 1 1 14 14 ASP HB3 H 1 2.408 0.02 . 1 . 113 . . 14 ASP HB3 . 18636 1 131 . 1 1 14 14 ASP C C 13 175.099 0.30 . 1 . 108 . . 14 ASP C . 18636 1 132 . 1 1 14 14 ASP CA C 13 56.022 0.30 . 1 . 109 . . 14 ASP CA . 18636 1 133 . 1 1 14 14 ASP CB C 13 40.475 0.30 . 1 . 110 . . 14 ASP CB . 18636 1 134 . 1 1 14 14 ASP N N 15 117.530 0.30 . 1 . 114 . . 14 ASP N . 18636 1 135 . 1 1 15 15 ASN H H 1 7.801 0.02 . 1 . 119 . . 15 ASN H . 18636 1 136 . 1 1 15 15 ASN HA H 1 4.702 0.02 . 1 . 120 . . 15 ASN HA . 18636 1 137 . 1 1 15 15 ASN HB2 H 1 2.725 0.02 . 2 . 121 . . 15 ASN HB2 . 18636 1 138 . 1 1 15 15 ASN HB3 H 1 2.246 0.02 . 2 . 122 . . 15 ASN HB3 . 18636 1 139 . 1 1 15 15 ASN HD21 H 1 7.068 0.02 . 1 . 123 . . 15 ASN HD21 . 18636 1 140 . 1 1 15 15 ASN HD22 H 1 6.715 0.02 . 1 . 124 . . 15 ASN HD22 . 18636 1 141 . 1 1 15 15 ASN C C 13 173.976 0.30 . 1 . 115 . . 15 ASN C . 18636 1 142 . 1 1 15 15 ASN CA C 13 51.913 0.30 . 1 . 116 . . 15 ASN CA . 18636 1 143 . 1 1 15 15 ASN CB C 13 38.830 0.30 . 1 . 117 . . 15 ASN CB . 18636 1 144 . 1 1 15 15 ASN CG C 13 177.397 0.30 . 1 . 118 . . 15 ASN CG . 18636 1 145 . 1 1 15 15 ASN N N 15 116.833 0.30 . 1 . 125 . . 15 ASN N . 18636 1 146 . 1 1 15 15 ASN ND2 N 15 111.983 0.30 . 1 . 126 . . 15 ASN ND2 . 18636 1 147 . 1 1 16 16 MET H H 1 7.284 0.02 . 1 . 132 . . 16 MET H . 18636 1 148 . 1 1 16 16 MET HA H 1 3.490 0.02 . 1 . 133 . . 16 MET HA . 18636 1 149 . 1 1 16 16 MET HB2 H 1 1.773 0.02 . 1 . 1318 . . 16 MET HB2 . 18636 1 150 . 1 1 16 16 MET HB3 H 1 1.773 0.02 . 1 . 134 . . 16 MET HB3 . 18636 1 151 . 1 1 16 16 MET HG2 H 1 1.688 0.02 . 2 . 135 . . 16 MET HG2 . 18636 1 152 . 1 1 16 16 MET HG3 H 1 1.550 0.02 . 2 . 136 . . 16 MET HG3 . 18636 1 153 . 1 1 16 16 MET HE1 H 1 1.717 0.02 . 1 . 137 . . 16 MET HE1 . 18636 1 154 . 1 1 16 16 MET HE2 H 1 1.717 0.02 . 1 . 137 . . 16 MET HE2 . 18636 1 155 . 1 1 16 16 MET HE3 H 1 1.717 0.02 . 1 . 137 . . 16 MET HE3 . 18636 1 156 . 1 1 16 16 MET C C 13 172.327 0.30 . 1 . 127 . . 16 MET C . 18636 1 157 . 1 1 16 16 MET CA C 13 56.653 0.30 . 1 . 128 . . 16 MET CA . 18636 1 158 . 1 1 16 16 MET CB C 13 30.647 0.30 . 1 . 129 . . 16 MET CB . 18636 1 159 . 1 1 16 16 MET CG C 13 32.046 0.30 . 1 . 130 . . 16 MET CG . 18636 1 160 . 1 1 16 16 MET CE C 13 16.879 0.30 . 1 . 131 . . 16 MET CE . 18636 1 161 . 1 1 16 16 MET N N 15 113.146 0.30 . 1 . 138 . . 16 MET N . 18636 1 162 . 1 1 17 17 GLN H H 1 6.367 0.02 . 1 . 144 . . 17 GLN H . 18636 1 163 . 1 1 17 17 GLN HA H 1 4.331 0.02 . 1 . 145 . . 17 GLN HA . 18636 1 164 . 1 1 17 17 GLN HB2 H 1 1.739 0.02 . 2 . 146 . . 17 GLN HB2 . 18636 1 165 . 1 1 17 17 GLN HB3 H 1 1.544 0.02 . 2 . 147 . . 17 GLN HB3 . 18636 1 166 . 1 1 17 17 GLN HG2 H 1 1.997 0.02 . 2 . 148 . . 17 GLN HG2 . 18636 1 167 . 1 1 17 17 GLN HG3 H 1 2.114 0.02 . 2 . 149 . . 17 GLN HG3 . 18636 1 168 . 1 1 17 17 GLN HE21 H 1 7.336 0.02 . 1 . 150 . . 17 GLN HE21 . 18636 1 169 . 1 1 17 17 GLN HE22 H 1 6.691 0.02 . 1 . 151 . . 17 GLN HE22 . 18636 1 170 . 1 1 17 17 GLN C C 13 177.196 0.30 . 1 . 139 . . 17 GLN C . 18636 1 171 . 1 1 17 17 GLN CA C 13 54.171 0.30 . 1 . 140 . . 17 GLN CA . 18636 1 172 . 1 1 17 17 GLN CB C 13 31.980 0.30 . 1 . 141 . . 17 GLN CB . 18636 1 173 . 1 1 17 17 GLN CG C 13 33.271 0.30 . 1 . 142 . . 17 GLN CG . 18636 1 174 . 1 1 17 17 GLN CD C 13 181.350 0.30 . 1 . 143 . . 17 GLN CD . 18636 1 175 . 1 1 17 17 GLN N N 15 110.883 0.30 . 1 . 152 . . 17 GLN N . 18636 1 176 . 1 1 17 17 GLN NE2 N 15 112.238 0.30 . 1 . 153 . . 17 GLN NE2 . 18636 1 177 . 1 1 18 18 PHE H H 1 8.646 0.02 . 1 . 159 . . 18 PHE H . 18636 1 178 . 1 1 18 18 PHE HA H 1 5.694 0.02 . 1 . 160 . . 18 PHE HA . 18636 1 179 . 1 1 18 18 PHE HB2 H 1 3.114 0.02 . 2 . 161 . . 18 PHE HB2 . 18636 1 180 . 1 1 18 18 PHE HB3 H 1 3.003 0.02 . 2 . 162 . . 18 PHE HB3 . 18636 1 181 . 1 1 18 18 PHE HD1 H 1 7.009 0.02 . 3 . 163 . . 18 PHE HD1 . 18636 1 182 . 1 1 18 18 PHE HD2 H 1 7.009 0.02 . 3 . 163 . . 18 PHE HD2 . 18636 1 183 . 1 1 18 18 PHE HE1 H 1 6.979 0.02 . 3 . 164 . . 18 PHE HE1 . 18636 1 184 . 1 1 18 18 PHE HE2 H 1 6.979 0.02 . 3 . 164 . . 18 PHE HE2 . 18636 1 185 . 1 1 18 18 PHE C C 13 177.304 0.30 . 1 . 154 . . 18 PHE C . 18636 1 186 . 1 1 18 18 PHE CA C 13 55.602 0.30 . 1 . 155 . . 18 PHE CA . 18636 1 187 . 1 1 18 18 PHE CB C 13 41.590 0.30 . 1 . 156 . . 18 PHE CB . 18636 1 188 . 1 1 18 18 PHE CD1 C 13 131.169 0.30 . 3 . 157 . . 18 PHE CD1 . 18636 1 189 . 1 1 18 18 PHE CD2 C 13 131.169 0.30 . 3 . 157 . . 18 PHE CD2 . 18636 1 190 . 1 1 18 18 PHE CE1 C 13 129.718 0.30 . 3 . 158 . . 18 PHE CE1 . 18636 1 191 . 1 1 18 18 PHE CE2 C 13 129.718 0.30 . 3 . 158 . . 18 PHE CE2 . 18636 1 192 . 1 1 18 18 PHE N N 15 120.153 0.30 . 1 . 165 . . 18 PHE N . 18636 1 193 . 1 1 19 19 ASN H H 1 8.468 0.02 . 1 . 170 . . 19 ASN H . 18636 1 194 . 1 1 19 19 ASN HA H 1 4.558 0.02 . 1 . 171 . . 19 ASN HA . 18636 1 195 . 1 1 19 19 ASN HB2 H 1 3.147 0.02 . 2 . 172 . . 19 ASN HB2 . 18636 1 196 . 1 1 19 19 ASN HB3 H 1 2.553 0.02 . 2 . 173 . . 19 ASN HB3 . 18636 1 197 . 1 1 19 19 ASN HD21 H 1 7.623 0.02 . 1 . 174 . . 19 ASN HD21 . 18636 1 198 . 1 1 19 19 ASN HD22 H 1 7.479 0.02 . 1 . 175 . . 19 ASN HD22 . 18636 1 199 . 1 1 19 19 ASN C C 13 174.056 0.30 . 1 . 166 . . 19 ASN C . 18636 1 200 . 1 1 19 19 ASN CA C 13 52.996 0.30 . 1 . 167 . . 19 ASN CA . 18636 1 201 . 1 1 19 19 ASN CB C 13 37.954 0.30 . 1 . 168 . . 19 ASN CB . 18636 1 202 . 1 1 19 19 ASN CG C 13 178.807 0.30 . 1 . 169 . . 19 ASN CG . 18636 1 203 . 1 1 19 19 ASN N N 15 118.406 0.30 . 1 . 176 . . 19 ASN N . 18636 1 204 . 1 1 19 19 ASN ND2 N 15 114.686 0.30 . 1 . 177 . . 19 ASN ND2 . 18636 1 205 . 1 1 20 20 THR H H 1 6.970 0.02 . 1 . 182 . . 20 THR H . 18636 1 206 . 1 1 20 20 THR HA H 1 4.553 0.02 . 1 . 183 . . 20 THR HA . 18636 1 207 . 1 1 20 20 THR HB H 1 3.934 0.02 . 1 . 184 . . 20 THR HB . 18636 1 208 . 1 1 20 20 THR HG21 H 1 0.779 0.02 . 1 . 185 . . 20 THR HG21 . 18636 1 209 . 1 1 20 20 THR HG22 H 1 0.779 0.02 . 1 . 185 . . 20 THR HG22 . 18636 1 210 . 1 1 20 20 THR HG23 H 1 0.779 0.02 . 1 . 185 . . 20 THR HG23 . 18636 1 211 . 1 1 20 20 THR C C 13 171.883 0.30 . 1 . 178 . . 20 THR C . 18636 1 212 . 1 1 20 20 THR CA C 13 59.479 0.30 . 1 . 179 . . 20 THR CA . 18636 1 213 . 1 1 20 20 THR CB C 13 69.583 0.30 . 1 . 180 . . 20 THR CB . 18636 1 214 . 1 1 20 20 THR CG2 C 13 19.764 0.30 . 1 . 181 . . 20 THR CG2 . 18636 1 215 . 1 1 20 20 THR N N 15 112.198 0.30 . 1 . 186 . . 20 THR N . 18636 1 216 . 1 1 21 21 LYS HA H 1 4.625 0.02 . 1 . 193 . . 21 LYS HA . 18636 1 217 . 1 1 21 21 LYS HB2 H 1 2.042 0.02 . 2 . 194 . . 21 LYS HB2 . 18636 1 218 . 1 1 21 21 LYS HB3 H 1 1.689 0.02 . 2 . 195 . . 21 LYS HB3 . 18636 1 219 . 1 1 21 21 LYS HG2 H 1 1.457 0.02 . 1 . 196 . . 21 LYS HG2 . 18636 1 220 . 1 1 21 21 LYS HG3 H 1 1.457 0.02 . 1 . 1321 . . 21 LYS HG3 . 18636 1 221 . 1 1 21 21 LYS HD2 H 1 1.700 0.02 . 1 . 1319 . . 21 LYS HD2 . 18636 1 222 . 1 1 21 21 LYS HD3 H 1 1.700 0.02 . 1 . 197 . . 21 LYS HD3 . 18636 1 223 . 1 1 21 21 LYS HE2 H 1 2.980 0.02 . 1 . 1320 . . 21 LYS HE2 . 18636 1 224 . 1 1 21 21 LYS HE3 H 1 2.980 0.02 . 1 . 198 . . 21 LYS HE3 . 18636 1 225 . 1 1 21 21 LYS C C 13 175.811 0.30 . 1 . 187 . . 21 LYS C . 18636 1 226 . 1 1 21 21 LYS CA C 13 55.899 0.30 . 1 . 188 . . 21 LYS CA . 18636 1 227 . 1 1 21 21 LYS CB C 13 33.778 0.30 . 1 . 189 . . 21 LYS CB . 18636 1 228 . 1 1 21 21 LYS CG C 13 24.729 0.30 . 1 . 190 . . 21 LYS CG . 18636 1 229 . 1 1 21 21 LYS CD C 13 28.961 0.30 . 1 . 191 . . 21 LYS CD . 18636 1 230 . 1 1 21 21 LYS CE C 13 42.252 0.30 . 1 . 192 . . 21 LYS CE . 18636 1 231 . 1 1 22 22 ASP H H 1 8.249 0.02 . 1 . 202 . . 22 ASP H . 18636 1 232 . 1 1 22 22 ASP HA H 1 5.488 0.02 . 1 . 203 . . 22 ASP HA . 18636 1 233 . 1 1 22 22 ASP HB2 H 1 2.430 0.02 . 2 . 204 . . 22 ASP HB2 . 18636 1 234 . 1 1 22 22 ASP HB3 H 1 2.303 0.02 . 2 . 205 . . 22 ASP HB3 . 18636 1 235 . 1 1 22 22 ASP C C 13 174.422 0.30 . 1 . 199 . . 22 ASP C . 18636 1 236 . 1 1 22 22 ASP CA C 13 53.899 0.30 . 1 . 200 . . 22 ASP CA . 18636 1 237 . 1 1 22 22 ASP CB C 13 43.300 0.30 . 1 . 201 . . 22 ASP CB . 18636 1 238 . 1 1 22 22 ASP N N 15 123.782 0.30 . 1 . 206 . . 22 ASP N . 18636 1 239 . 1 1 23 23 ILE H H 1 8.614 0.02 . 1 . 213 . . 23 ILE H . 18636 1 240 . 1 1 23 23 ILE HA H 1 3.875 0.02 . 1 . 214 . . 23 ILE HA . 18636 1 241 . 1 1 23 23 ILE HB H 1 1.163 0.02 . 1 . 215 . . 23 ILE HB . 18636 1 242 . 1 1 23 23 ILE HG12 H 1 0.905 0.02 . 2 . 216 . . 23 ILE HG12 . 18636 1 243 . 1 1 23 23 ILE HG13 H 1 0.163 0.02 . 2 . 217 . . 23 ILE HG13 . 18636 1 244 . 1 1 23 23 ILE HG21 H 1 0.285 0.02 . 1 . 218 . . 23 ILE HG21 . 18636 1 245 . 1 1 23 23 ILE HG22 H 1 0.285 0.02 . 1 . 218 . . 23 ILE HG22 . 18636 1 246 . 1 1 23 23 ILE HG23 H 1 0.285 0.02 . 1 . 218 . . 23 ILE HG23 . 18636 1 247 . 1 1 23 23 ILE HD11 H 1 -0.521 0.02 . 1 . 219 . . 23 ILE HD11 . 18636 1 248 . 1 1 23 23 ILE HD12 H 1 -0.521 0.02 . 1 . 219 . . 23 ILE HD12 . 18636 1 249 . 1 1 23 23 ILE HD13 H 1 -0.521 0.02 . 1 . 219 . . 23 ILE HD13 . 18636 1 250 . 1 1 23 23 ILE C C 13 174.013 0.30 . 1 . 207 . . 23 ILE C . 18636 1 251 . 1 1 23 23 ILE CA C 13 60.581 0.30 . 1 . 208 . . 23 ILE CA . 18636 1 252 . 1 1 23 23 ILE CB C 13 40.180 0.30 . 1 . 209 . . 23 ILE CB . 18636 1 253 . 1 1 23 23 ILE CG1 C 13 26.777 0.30 . 1 . 210 . . 23 ILE CG1 . 18636 1 254 . 1 1 23 23 ILE CG2 C 13 16.092 0.30 . 1 . 211 . . 23 ILE CG2 . 18636 1 255 . 1 1 23 23 ILE CD1 C 13 13.213 0.30 . 1 . 212 . . 23 ILE CD1 . 18636 1 256 . 1 1 23 23 ILE N N 15 126.184 0.30 . 1 . 220 . . 23 ILE N . 18636 1 257 . 1 1 24 24 GLN H H 1 8.160 0.02 . 1 . 226 . . 24 GLN H . 18636 1 258 . 1 1 24 24 GLN HA H 1 4.691 0.02 . 1 . 227 . . 24 GLN HA . 18636 1 259 . 1 1 24 24 GLN HB2 H 1 1.797 0.02 . 2 . 228 . . 24 GLN HB2 . 18636 1 260 . 1 1 24 24 GLN HB3 H 1 1.536 0.02 . 2 . 229 . . 24 GLN HB3 . 18636 1 261 . 1 1 24 24 GLN HG2 H 1 2.150 0.02 . 2 . 230 . . 24 GLN HG2 . 18636 1 262 . 1 1 24 24 GLN HG3 H 1 1.895 0.02 . 2 . 231 . . 24 GLN HG3 . 18636 1 263 . 1 1 24 24 GLN HE21 H 1 7.487 0.02 . 1 . 232 . . 24 GLN HE21 . 18636 1 264 . 1 1 24 24 GLN HE22 H 1 6.561 0.02 . 1 . 233 . . 24 GLN HE22 . 18636 1 265 . 1 1 24 24 GLN C C 13 174.982 0.30 . 1 . 221 . . 24 GLN C . 18636 1 266 . 1 1 24 24 GLN CA C 13 54.661 0.30 . 1 . 222 . . 24 GLN CA . 18636 1 267 . 1 1 24 24 GLN CB C 13 28.061 0.30 . 1 . 223 . . 24 GLN CB . 18636 1 268 . 1 1 24 24 GLN CG C 13 33.841 0.30 . 1 . 224 . . 24 GLN CG . 18636 1 269 . 1 1 24 24 GLN CD C 13 180.318 0.30 . 1 . 225 . . 24 GLN CD . 18636 1 270 . 1 1 24 24 GLN N N 15 126.223 0.30 . 1 . 234 . . 24 GLN N . 18636 1 271 . 1 1 24 24 GLN NE2 N 15 111.820 0.30 . 1 . 235 . . 24 GLN NE2 . 18636 1 272 . 1 1 25 25 VAL H H 1 8.676 0.02 . 1 . 241 . . 25 VAL H . 18636 1 273 . 1 1 25 25 VAL HA H 1 2.715 0.02 . 1 . 242 . . 25 VAL HA . 18636 1 274 . 1 1 25 25 VAL HB H 1 1.197 0.02 . 1 . 243 . . 25 VAL HB . 18636 1 275 . 1 1 25 25 VAL HG11 H 1 -0.261 0.02 . 2 . 244 . . 25 VAL HG11 . 18636 1 276 . 1 1 25 25 VAL HG12 H 1 -0.261 0.02 . 2 . 244 . . 25 VAL HG12 . 18636 1 277 . 1 1 25 25 VAL HG13 H 1 -0.261 0.02 . 2 . 244 . . 25 VAL HG13 . 18636 1 278 . 1 1 25 25 VAL HG21 H 1 -0.246 0.02 . 2 . 245 . . 25 VAL HG21 . 18636 1 279 . 1 1 25 25 VAL HG22 H 1 -0.246 0.02 . 2 . 245 . . 25 VAL HG22 . 18636 1 280 . 1 1 25 25 VAL HG23 H 1 -0.246 0.02 . 2 . 245 . . 25 VAL HG23 . 18636 1 281 . 1 1 25 25 VAL C C 13 174.099 0.30 . 1 . 236 . . 25 VAL C . 18636 1 282 . 1 1 25 25 VAL CA C 13 60.294 0.30 . 1 . 237 . . 25 VAL CA . 18636 1 283 . 1 1 25 25 VAL CB C 13 33.053 0.30 . 1 . 238 . . 25 VAL CB . 18636 1 284 . 1 1 25 25 VAL CG1 C 13 19.992 0.30 . 2 . 239 . . 25 VAL CG1 . 18636 1 285 . 1 1 25 25 VAL CG2 C 13 19.855 0.30 . 2 . 240 . . 25 VAL CG2 . 18636 1 286 . 1 1 25 25 VAL N N 15 125.683 0.30 . 1 . 246 . . 25 VAL N . 18636 1 287 . 1 1 26 26 SER H H 1 6.302 0.02 . 1 . 250 . . 26 SER H . 18636 1 288 . 1 1 26 26 SER HA H 1 4.284 0.02 . 1 . 251 . . 26 SER HA . 18636 1 289 . 1 1 26 26 SER HB2 H 1 3.801 0.02 . 1 . 252 . . 26 SER HB2 . 18636 1 290 . 1 1 26 26 SER HB3 H 1 3.801 0.02 . 1 . 1322 . . 26 SER HB3 . 18636 1 291 . 1 1 26 26 SER C C 13 175.900 0.30 . 1 . 247 . . 26 SER C . 18636 1 292 . 1 1 26 26 SER CA C 13 57.177 0.30 . 1 . 248 . . 26 SER CA . 18636 1 293 . 1 1 26 26 SER CB C 13 63.391 0.30 . 1 . 249 . . 26 SER CB . 18636 1 294 . 1 1 26 26 SER N N 15 120.132 0.30 . 1 . 253 . . 26 SER N . 18636 1 295 . 1 1 27 27 LYS H H 1 8.939 0.02 . 1 . 260 . . 27 LYS H . 18636 1 296 . 1 1 27 27 LYS HA H 1 3.660 0.02 . 1 . 261 . . 27 LYS HA . 18636 1 297 . 1 1 27 27 LYS HB2 H 1 1.652 0.02 . 1 . 262 . . 27 LYS HB2 . 18636 1 298 . 1 1 27 27 LYS HB3 H 1 1.652 0.02 . 1 . 1323 . . 27 LYS HB3 . 18636 1 299 . 1 1 27 27 LYS HG2 H 1 1.405 0.02 . 2 . 263 . . 27 LYS HG2 . 18636 1 300 . 1 1 27 27 LYS HG3 H 1 1.364 0.02 . 2 . 264 . . 27 LYS HG3 . 18636 1 301 . 1 1 27 27 LYS HD2 H 1 1.481 0.02 . 1 . 265 . . 27 LYS HD2 . 18636 1 302 . 1 1 27 27 LYS HD3 H 1 1.481 0.02 . 1 . 1324 . . 27 LYS HD3 . 18636 1 303 . 1 1 27 27 LYS HE2 H 1 2.690 0.02 . 1 . 266 . . 27 LYS HE2 . 18636 1 304 . 1 1 27 27 LYS HE3 H 1 2.690 0.02 . 1 . 1325 . . 27 LYS HE3 . 18636 1 305 . 1 1 27 27 LYS C C 13 176.313 0.30 . 1 . 254 . . 27 LYS C . 18636 1 306 . 1 1 27 27 LYS CA C 13 58.135 0.30 . 1 . 255 . . 27 LYS CA . 18636 1 307 . 1 1 27 27 LYS CB C 13 32.724 0.30 . 1 . 256 . . 27 LYS CB . 18636 1 308 . 1 1 27 27 LYS CG C 13 25.398 0.30 . 1 . 257 . . 27 LYS CG . 18636 1 309 . 1 1 27 27 LYS CD C 13 29.400 0.30 . 1 . 258 . . 27 LYS CD . 18636 1 310 . 1 1 27 27 LYS CE C 13 41.842 0.30 . 1 . 259 . . 27 LYS CE . 18636 1 311 . 1 1 27 27 LYS N N 15 128.077 0.30 . 1 . 267 . . 27 LYS N . 18636 1 312 . 1 1 28 28 ALA H H 1 7.805 0.02 . 1 . 271 . . 28 ALA H . 18636 1 313 . 1 1 28 28 ALA HA H 1 4.053 0.02 . 1 . 272 . . 28 ALA HA . 18636 1 314 . 1 1 28 28 ALA HB1 H 1 1.265 0.02 . 1 . 273 . . 28 ALA HB1 . 18636 1 315 . 1 1 28 28 ALA HB2 H 1 1.265 0.02 . 1 . 273 . . 28 ALA HB2 . 18636 1 316 . 1 1 28 28 ALA HB3 H 1 1.265 0.02 . 1 . 273 . . 28 ALA HB3 . 18636 1 317 . 1 1 28 28 ALA C C 13 178.463 0.30 . 1 . 268 . . 28 ALA C . 18636 1 318 . 1 1 28 28 ALA CA C 13 52.663 0.30 . 1 . 269 . . 28 ALA CA . 18636 1 319 . 1 1 28 28 ALA CB C 13 18.629 0.30 . 1 . 270 . . 28 ALA CB . 18636 1 320 . 1 1 28 28 ALA N N 15 120.284 0.30 . 1 . 274 . . 28 ALA N . 18636 1 321 . 1 1 29 29 CYS H H 1 7.353 0.02 . 1 . 278 . . 29 CYS H . 18636 1 322 . 1 1 29 29 CYS HA H 1 4.369 0.02 . 1 . 279 . . 29 CYS HA . 18636 1 323 . 1 1 29 29 CYS HB2 H 1 3.094 0.02 . 1 . 1326 . . 29 CYS HB2 . 18636 1 324 . 1 1 29 29 CYS HB3 H 1 3.094 0.02 . 1 . 280 . . 29 CYS HB3 . 18636 1 325 . 1 1 29 29 CYS C C 13 174.112 0.30 . 1 . 275 . . 29 CYS C . 18636 1 326 . 1 1 29 29 CYS CA C 13 56.366 0.30 . 1 . 276 . . 29 CYS CA . 18636 1 327 . 1 1 29 29 CYS CB C 13 41.672 0.30 . 1 . 277 . . 29 CYS CB . 18636 1 328 . 1 1 29 29 CYS N N 15 117.917 0.30 . 1 . 281 . . 29 CYS N . 18636 1 329 . 1 1 30 30 LYS H H 1 8.768 0.02 . 1 . 288 . . 30 LYS H . 18636 1 330 . 1 1 30 30 LYS HA H 1 3.968 0.02 . 1 . 289 . . 30 LYS HA . 18636 1 331 . 1 1 30 30 LYS HB2 H 1 1.728 0.02 . 1 . 1327 . . 30 LYS HB2 . 18636 1 332 . 1 1 30 30 LYS HB3 H 1 1.728 0.02 . 1 . 290 . . 30 LYS HB3 . 18636 1 333 . 1 1 30 30 LYS HG2 H 1 1.562 0.02 . 1 . 1329 . . 30 LYS HG2 . 18636 1 334 . 1 1 30 30 LYS HG3 H 1 1.562 0.02 . 1 . 291 . . 30 LYS HG3 . 18636 1 335 . 1 1 30 30 LYS HD2 H 1 1.394 0.02 . 2 . 292 . . 30 LYS HD2 . 18636 1 336 . 1 1 30 30 LYS HD3 H 1 1.351 0.02 . 2 . 293 . . 30 LYS HD3 . 18636 1 337 . 1 1 30 30 LYS HE2 H 1 2.859 0.02 . 1 . 294 . . 30 LYS HE2 . 18636 1 338 . 1 1 30 30 LYS HE3 H 1 2.859 0.02 . 1 . 1328 . . 30 LYS HE3 . 18636 1 339 . 1 1 30 30 LYS C C 13 176.393 0.30 . 1 . 282 . . 30 LYS C . 18636 1 340 . 1 1 30 30 LYS CA C 13 57.991 0.30 . 1 . 283 . . 30 LYS CA . 18636 1 341 . 1 1 30 30 LYS CB C 13 32.058 0.30 . 1 . 284 . . 30 LYS CB . 18636 1 342 . 1 1 30 30 LYS CG C 13 28.545 0.30 . 1 . 285 . . 30 LYS CG . 18636 1 343 . 1 1 30 30 LYS CD C 13 24.743 0.30 . 1 . 286 . . 30 LYS CD . 18636 1 344 . 1 1 30 30 LYS CE C 13 41.994 0.30 . 1 . 287 . . 30 LYS CE . 18636 1 345 . 1 1 30 30 LYS N N 15 124.773 0.30 . 1 . 295 . . 30 LYS N . 18636 1 346 . 1 1 31 31 GLU H H 1 7.398 0.02 . 1 . 300 . . 31 GLU H . 18636 1 347 . 1 1 31 31 GLU HA H 1 4.482 0.02 . 1 . 301 . . 31 GLU HA . 18636 1 348 . 1 1 31 31 GLU HB2 H 1 1.712 0.02 . 2 . 302 . . 31 GLU HB2 . 18636 1 349 . 1 1 31 31 GLU HB3 H 1 1.641 0.02 . 2 . 303 . . 31 GLU HB3 . 18636 1 350 . 1 1 31 31 GLU HG2 H 1 1.914 0.02 . 1 . 304 . . 31 GLU HG2 . 18636 1 351 . 1 1 31 31 GLU HG3 H 1 1.914 0.02 . 1 . 1330 . . 31 GLU HG3 . 18636 1 352 . 1 1 31 31 GLU C C 13 173.517 0.30 . 1 . 296 . . 31 GLU C . 18636 1 353 . 1 1 31 31 GLU CA C 13 54.676 0.30 . 1 . 297 . . 31 GLU CA . 18636 1 354 . 1 1 31 31 GLU CB C 13 33.028 0.30 . 1 . 298 . . 31 GLU CB . 18636 1 355 . 1 1 31 31 GLU CG C 13 36.015 0.30 . 1 . 299 . . 31 GLU CG . 18636 1 356 . 1 1 31 31 GLU N N 15 113.194 0.30 . 1 . 305 . . 31 GLU N . 18636 1 357 . 1 1 32 32 PHE H H 1 9.119 0.02 . 1 . 311 . . 32 PHE H . 18636 1 358 . 1 1 32 32 PHE HA H 1 5.047 0.02 . 1 . 312 . . 32 PHE HA . 18636 1 359 . 1 1 32 32 PHE HB2 H 1 2.733 0.02 . 2 . 313 . . 32 PHE HB2 . 18636 1 360 . 1 1 32 32 PHE HB3 H 1 2.209 0.02 . 2 . 314 . . 32 PHE HB3 . 18636 1 361 . 1 1 32 32 PHE HD1 H 1 6.831 0.02 . 3 . 315 . . 32 PHE HD1 . 18636 1 362 . 1 1 32 32 PHE HD2 H 1 6.831 0.02 . 3 . 315 . . 32 PHE HD2 . 18636 1 363 . 1 1 32 32 PHE HE1 H 1 7.059 0.02 . 3 . 316 . . 32 PHE HE1 . 18636 1 364 . 1 1 32 32 PHE HE2 H 1 7.059 0.02 . 3 . 316 . . 32 PHE HE2 . 18636 1 365 . 1 1 32 32 PHE C C 13 174.178 0.30 . 1 . 306 . . 32 PHE C . 18636 1 366 . 1 1 32 32 PHE CA C 13 56.199 0.30 . 1 . 307 . . 32 PHE CA . 18636 1 367 . 1 1 32 32 PHE CB C 13 44.718 0.30 . 1 . 308 . . 32 PHE CB . 18636 1 368 . 1 1 32 32 PHE CD1 C 13 131.506 0.30 . 3 . 309 . . 32 PHE CD1 . 18636 1 369 . 1 1 32 32 PHE CD2 C 13 131.506 0.30 . 3 . 309 . . 32 PHE CD2 . 18636 1 370 . 1 1 32 32 PHE CE1 C 13 131.488 0.30 . 3 . 310 . . 32 PHE CE1 . 18636 1 371 . 1 1 32 32 PHE CE2 C 13 131.488 0.30 . 3 . 310 . . 32 PHE CE2 . 18636 1 372 . 1 1 32 32 PHE N N 15 126.185 0.30 . 1 . 317 . . 32 PHE N . 18636 1 373 . 1 1 33 33 THR H H 1 7.658 0.02 . 1 . 322 . . 33 THR H . 18636 1 374 . 1 1 33 33 THR HA H 1 5.098 0.02 . 1 . 323 . . 33 THR HA . 18636 1 375 . 1 1 33 33 THR HB H 1 3.585 0.02 . 1 . 324 . . 33 THR HB . 18636 1 376 . 1 1 33 33 THR HG21 H 1 0.946 0.02 . 1 . 325 . . 33 THR HG21 . 18636 1 377 . 1 1 33 33 THR HG22 H 1 0.946 0.02 . 1 . 325 . . 33 THR HG22 . 18636 1 378 . 1 1 33 33 THR HG23 H 1 0.946 0.02 . 1 . 325 . . 33 THR HG23 . 18636 1 379 . 1 1 33 33 THR C C 13 173.290 0.30 . 1 . 318 . . 33 THR C . 18636 1 380 . 1 1 33 33 THR CA C 13 61.530 0.30 . 1 . 319 . . 33 THR CA . 18636 1 381 . 1 1 33 33 THR CB C 13 70.592 0.30 . 1 . 320 . . 33 THR CB . 18636 1 382 . 1 1 33 33 THR CG2 C 13 20.503 0.30 . 1 . 321 . . 33 THR CG2 . 18636 1 383 . 1 1 33 33 THR N N 15 124.838 0.30 . 1 . 326 . . 33 THR N . 18636 1 384 . 1 1 34 34 ILE H H 1 8.518 0.02 . 1 . 333 . . 34 ILE H . 18636 1 385 . 1 1 34 34 ILE HA H 1 4.682 0.02 . 1 . 334 . . 34 ILE HA . 18636 1 386 . 1 1 34 34 ILE HB H 1 1.222 0.02 . 1 . 335 . . 34 ILE HB . 18636 1 387 . 1 1 34 34 ILE HG12 H 1 1.541 0.02 . 2 . 336 . . 34 ILE HG12 . 18636 1 388 . 1 1 34 34 ILE HG13 H 1 0.696 0.02 . 2 . 337 . . 34 ILE HG13 . 18636 1 389 . 1 1 34 34 ILE HG21 H 1 0.360 0.02 . 1 . 338 . . 34 ILE HG21 . 18636 1 390 . 1 1 34 34 ILE HG22 H 1 0.360 0.02 . 1 . 338 . . 34 ILE HG22 . 18636 1 391 . 1 1 34 34 ILE HG23 H 1 0.360 0.02 . 1 . 338 . . 34 ILE HG23 . 18636 1 392 . 1 1 34 34 ILE HD11 H 1 0.464 0.02 . 1 . 339 . . 34 ILE HD11 . 18636 1 393 . 1 1 34 34 ILE HD12 H 1 0.464 0.02 . 1 . 339 . . 34 ILE HD12 . 18636 1 394 . 1 1 34 34 ILE HD13 H 1 0.464 0.02 . 1 . 339 . . 34 ILE HD13 . 18636 1 395 . 1 1 34 34 ILE C C 13 174.509 0.30 . 1 . 327 . . 34 ILE C . 18636 1 396 . 1 1 34 34 ILE CA C 13 59.709 0.30 . 1 . 328 . . 34 ILE CA . 18636 1 397 . 1 1 34 34 ILE CB C 13 40.074 0.30 . 1 . 329 . . 34 ILE CB . 18636 1 398 . 1 1 34 34 ILE CG1 C 13 27.882 0.30 . 1 . 330 . . 34 ILE CG1 . 18636 1 399 . 1 1 34 34 ILE CG2 C 13 17.013 0.30 . 1 . 331 . . 34 ILE CG2 . 18636 1 400 . 1 1 34 34 ILE CD1 C 13 13.879 0.30 . 1 . 332 . . 34 ILE CD1 . 18636 1 401 . 1 1 34 34 ILE N N 15 125.410 0.30 . 1 . 340 . . 34 ILE N . 18636 1 402 . 1 1 35 35 THR H H 1 8.624 0.02 . 1 . 345 . . 35 THR H . 18636 1 403 . 1 1 35 35 THR HA H 1 4.502 0.02 . 1 . 346 . . 35 THR HA . 18636 1 404 . 1 1 35 35 THR HB H 1 3.778 0.02 . 1 . 347 . . 35 THR HB . 18636 1 405 . 1 1 35 35 THR HG21 H 1 0.895 0.02 . 1 . 348 . . 35 THR HG21 . 18636 1 406 . 1 1 35 35 THR HG22 H 1 0.895 0.02 . 1 . 348 . . 35 THR HG22 . 18636 1 407 . 1 1 35 35 THR HG23 H 1 0.895 0.02 . 1 . 348 . . 35 THR HG23 . 18636 1 408 . 1 1 35 35 THR C C 13 171.666 0.30 . 1 . 341 . . 35 THR C . 18636 1 409 . 1 1 35 35 THR CA C 13 61.883 0.30 . 1 . 342 . . 35 THR CA . 18636 1 410 . 1 1 35 35 THR CB C 13 70.360 0.30 . 1 . 343 . . 35 THR CB . 18636 1 411 . 1 1 35 35 THR CG2 C 13 21.287 0.30 . 1 . 344 . . 35 THR CG2 . 18636 1 412 . 1 1 35 35 THR N N 15 125.035 0.30 . 1 . 349 . . 35 THR N . 18636 1 413 . 1 1 36 36 LEU H H 1 9.215 0.02 . 1 . 356 . . 36 LEU H . 18636 1 414 . 1 1 36 36 LEU HA H 1 5.125 0.02 . 1 . 357 . . 36 LEU HA . 18636 1 415 . 1 1 36 36 LEU HB2 H 1 1.886 0.02 . 2 . 358 . . 36 LEU HB2 . 18636 1 416 . 1 1 36 36 LEU HB3 H 1 0.909 0.02 . 2 . 359 . . 36 LEU HB3 . 18636 1 417 . 1 1 36 36 LEU HG H 1 1.291 0.02 . 1 . 360 . . 36 LEU HG . 18636 1 418 . 1 1 36 36 LEU HD11 H 1 0.716 0.02 . 2 . 361 . . 36 LEU HD11 . 18636 1 419 . 1 1 36 36 LEU HD12 H 1 0.716 0.02 . 2 . 361 . . 36 LEU HD12 . 18636 1 420 . 1 1 36 36 LEU HD13 H 1 0.716 0.02 . 2 . 361 . . 36 LEU HD13 . 18636 1 421 . 1 1 36 36 LEU HD21 H 1 0.784 0.02 . 2 . 362 . . 36 LEU HD21 . 18636 1 422 . 1 1 36 36 LEU HD22 H 1 0.784 0.02 . 2 . 362 . . 36 LEU HD22 . 18636 1 423 . 1 1 36 36 LEU HD23 H 1 0.784 0.02 . 2 . 362 . . 36 LEU HD23 . 18636 1 424 . 1 1 36 36 LEU C C 13 174.219 0.30 . 1 . 350 . . 36 LEU C . 18636 1 425 . 1 1 36 36 LEU CA C 13 52.907 0.30 . 1 . 351 . . 36 LEU CA . 18636 1 426 . 1 1 36 36 LEU CB C 13 45.253 0.30 . 1 . 352 . . 36 LEU CB . 18636 1 427 . 1 1 36 36 LEU CG C 13 27.895 0.30 . 1 . 353 . . 36 LEU CG . 18636 1 428 . 1 1 36 36 LEU CD1 C 13 25.654 0.30 . 2 . 354 . . 36 LEU CD1 . 18636 1 429 . 1 1 36 36 LEU CD2 C 13 23.687 0.30 . 2 . 355 . . 36 LEU CD2 . 18636 1 430 . 1 1 36 36 LEU N N 15 129.381 0.30 . 1 . 363 . . 36 LEU N . 18636 1 431 . 1 1 37 37 LYS H H 1 8.743 0.02 . 1 . 370 . . 37 LYS H . 18636 1 432 . 1 1 37 37 LYS HA H 1 4.763 0.02 . 1 . 371 . . 37 LYS HA . 18636 1 433 . 1 1 37 37 LYS HB2 H 1 1.763 0.02 . 2 . 372 . . 37 LYS HB2 . 18636 1 434 . 1 1 37 37 LYS HB3 H 1 1.417 0.02 . 2 . 373 . . 37 LYS HB3 . 18636 1 435 . 1 1 37 37 LYS HG2 H 1 1.469 0.02 . 2 . 374 . . 37 LYS HG2 . 18636 1 436 . 1 1 37 37 LYS HG3 H 1 1.429 0.02 . 2 . 375 . . 37 LYS HG3 . 18636 1 437 . 1 1 37 37 LYS HD2 H 1 1.188 0.02 . 1 . 1331 . . 37 LYS HD2 . 18636 1 438 . 1 1 37 37 LYS HD3 H 1 1.188 0.02 . 1 . 376 . . 37 LYS HD3 . 18636 1 439 . 1 1 37 37 LYS HE2 H 1 2.699 0.02 . 1 . 377 . . 37 LYS HE2 . 18636 1 440 . 1 1 37 37 LYS HE3 H 1 2.699 0.02 . 1 . 1332 . . 37 LYS HE3 . 18636 1 441 . 1 1 37 37 LYS C C 13 175.111 0.30 . 1 . 364 . . 37 LYS C . 18636 1 442 . 1 1 37 37 LYS CA C 13 54.424 0.30 . 1 . 365 . . 37 LYS CA . 18636 1 443 . 1 1 37 37 LYS CB C 13 35.671 0.30 . 1 . 366 . . 37 LYS CB . 18636 1 444 . 1 1 37 37 LYS CG C 13 29.463 0.30 . 1 . 367 . . 37 LYS CG . 18636 1 445 . 1 1 37 37 LYS CD C 13 25.315 0.30 . 1 . 368 . . 37 LYS CD . 18636 1 446 . 1 1 37 37 LYS CE C 13 41.809 0.30 . 1 . 369 . . 37 LYS CE . 18636 1 447 . 1 1 37 37 LYS N N 15 124.171 0.30 . 1 . 378 . . 37 LYS N . 18636 1 448 . 1 1 38 38 HIS H H 1 8.276 0.02 . 1 . 383 . . 38 HIS H . 18636 1 449 . 1 1 38 38 HIS HA H 1 5.233 0.02 . 1 . 384 . . 38 HIS HA . 18636 1 450 . 1 1 38 38 HIS HB2 H 1 3.463 0.02 . 2 . 385 . . 38 HIS HB2 . 18636 1 451 . 1 1 38 38 HIS HB3 H 1 2.308 0.02 . 2 . 386 . . 38 HIS HB3 . 18636 1 452 . 1 1 38 38 HIS HD2 H 1 6.903 0.02 . 1 . 387 . . 38 HIS HD2 . 18636 1 453 . 1 1 38 38 HIS HE1 H 1 7.896 0.02 . 1 . 388 . . 38 HIS HE1 . 18636 1 454 . 1 1 38 38 HIS HE2 H 1 10.897 0.02 . 1 . 389 . . 38 HIS HE2 . 18636 1 455 . 1 1 38 38 HIS C C 13 177.807 0.30 . 1 . 379 . . 38 HIS C . 18636 1 456 . 1 1 38 38 HIS CA C 13 53.772 0.30 . 1 . 380 . . 38 HIS CA . 18636 1 457 . 1 1 38 38 HIS CB C 13 31.064 0.30 . 1 . 381 . . 38 HIS CB . 18636 1 458 . 1 1 38 38 HIS CD2 C 13 117.466 0.30 . 1 . 382 . . 38 HIS CD2 . 18636 1 459 . 1 1 38 38 HIS N N 15 127.411 0.30 . 1 . 390 . . 38 HIS N . 18636 1 460 . 1 1 38 38 HIS ND1 N 15 248.669 0.30 . 1 . 391 . . 38 HIS ND1 . 18636 1 461 . 1 1 38 38 HIS NE2 N 15 163.275 0.30 . 1 . 392 . . 38 HIS NE2 . 18636 1 462 . 1 1 39 39 THR H H 1 9.285 0.02 . 1 . 397 . . 39 THR H . 18636 1 463 . 1 1 39 39 THR HA H 1 4.478 0.02 . 1 . 398 . . 39 THR HA . 18636 1 464 . 1 1 39 39 THR HB H 1 4.588 0.02 . 1 . 399 . . 39 THR HB . 18636 1 465 . 1 1 39 39 THR HG21 H 1 1.091 0.02 . 1 . 400 . . 39 THR HG21 . 18636 1 466 . 1 1 39 39 THR HG22 H 1 1.091 0.02 . 1 . 400 . . 39 THR HG22 . 18636 1 467 . 1 1 39 39 THR HG23 H 1 1.091 0.02 . 1 . 400 . . 39 THR HG23 . 18636 1 468 . 1 1 39 39 THR C C 13 176.466 0.30 . 1 . 393 . . 39 THR C . 18636 1 469 . 1 1 39 39 THR CA C 13 61.319 0.30 . 1 . 394 . . 39 THR CA . 18636 1 470 . 1 1 39 39 THR CB C 13 68.248 0.30 . 1 . 395 . . 39 THR CB . 18636 1 471 . 1 1 39 39 THR CG2 C 13 21.295 0.30 . 1 . 396 . . 39 THR CG2 . 18636 1 472 . 1 1 39 39 THR N N 15 117.322 0.30 . 1 . 401 . . 39 THR N . 18636 1 473 . 1 1 40 40 GLY H H 1 9.744 0.02 . 1 . 404 . . 40 GLY H . 18636 1 474 . 1 1 40 40 GLY HA2 H 1 4.446 0.02 . 2 . 405 . . 40 GLY HA2 . 18636 1 475 . 1 1 40 40 GLY HA3 H 1 4.110 0.02 . 2 . 406 . . 40 GLY HA3 . 18636 1 476 . 1 1 40 40 GLY C C 13 172.645 0.30 . 1 . 402 . . 40 GLY C . 18636 1 477 . 1 1 40 40 GLY CA C 13 43.372 0.30 . 1 . 403 . . 40 GLY CA . 18636 1 478 . 1 1 40 40 GLY N N 15 112.951 0.30 . 1 . 407 . . 40 GLY N . 18636 1 479 . 1 1 41 41 THR H H 1 10.418 0.02 . 1 . 412 . . 41 THR H . 18636 1 480 . 1 1 41 41 THR HA H 1 4.248 0.02 . 1 . 413 . . 41 THR HA . 18636 1 481 . 1 1 41 41 THR HB H 1 4.180 0.02 . 1 . 414 . . 41 THR HB . 18636 1 482 . 1 1 41 41 THR HG21 H 1 0.992 0.02 . 1 . 415 . . 41 THR HG21 . 18636 1 483 . 1 1 41 41 THR HG22 H 1 0.992 0.02 . 1 . 415 . . 41 THR HG22 . 18636 1 484 . 1 1 41 41 THR HG23 H 1 0.992 0.02 . 1 . 415 . . 41 THR HG23 . 18636 1 485 . 1 1 41 41 THR C C 13 176.464 0.30 . 1 . 408 . . 41 THR C . 18636 1 486 . 1 1 41 41 THR CA C 13 60.534 0.30 . 1 . 409 . . 41 THR CA . 18636 1 487 . 1 1 41 41 THR CB C 13 70.324 0.30 . 1 . 410 . . 41 THR CB . 18636 1 488 . 1 1 41 41 THR CG2 C 13 21.593 0.30 . 1 . 411 . . 41 THR CG2 . 18636 1 489 . 1 1 41 41 THR N N 15 109.373 0.30 . 1 . 416 . . 41 THR N . 18636 1 490 . 1 1 42 42 GLN H H 1 8.737 0.02 . 1 . 422 . . 42 GLN H . 18636 1 491 . 1 1 42 42 GLN HA H 1 4.195 0.02 . 1 . 423 . . 42 GLN HA . 18636 1 492 . 1 1 42 42 GLN HB2 H 1 1.822 0.02 . 1 . 1333 . . 42 GLN HB2 . 18636 1 493 . 1 1 42 42 GLN HB3 H 1 1.822 0.02 . 1 . 424 . . 42 GLN HB3 . 18636 1 494 . 1 1 42 42 GLN HG2 H 1 2.283 0.02 . 2 . 425 . . 42 GLN HG2 . 18636 1 495 . 1 1 42 42 GLN HG3 H 1 2.201 0.02 . 2 . 426 . . 42 GLN HG3 . 18636 1 496 . 1 1 42 42 GLN HE21 H 1 7.421 0.02 . 1 . 427 . . 42 GLN HE21 . 18636 1 497 . 1 1 42 42 GLN HE22 H 1 6.654 0.02 . 1 . 428 . . 42 GLN HE22 . 18636 1 498 . 1 1 42 42 GLN C C 13 172.894 0.30 . 1 . 417 . . 42 GLN C . 18636 1 499 . 1 1 42 42 GLN CA C 13 54.812 0.30 . 1 . 418 . . 42 GLN CA . 18636 1 500 . 1 1 42 42 GLN CB C 13 29.186 0.30 . 1 . 419 . . 42 GLN CB . 18636 1 501 . 1 1 42 42 GLN CG C 13 33.877 0.30 . 1 . 420 . . 42 GLN CG . 18636 1 502 . 1 1 42 42 GLN CD C 13 180.098 0.30 . 1 . 421 . . 42 GLN CD . 18636 1 503 . 1 1 42 42 GLN N N 15 126.908 0.30 . 1 . 429 . . 42 GLN N . 18636 1 504 . 1 1 42 42 GLN NE2 N 15 112.857 0.30 . 1 . 430 . . 42 GLN NE2 . 18636 1 505 . 1 1 43 43 PRO HA H 1 4.399 0.02 . 1 . 436 . . 43 PRO HA . 18636 1 506 . 1 1 43 43 PRO HB2 H 1 2.192 0.02 . 2 . 437 . . 43 PRO HB2 . 18636 1 507 . 1 1 43 43 PRO HB3 H 1 1.959 0.02 . 2 . 438 . . 43 PRO HB3 . 18636 1 508 . 1 1 43 43 PRO HG2 H 1 1.940 0.02 . 2 . 439 . . 43 PRO HG2 . 18636 1 509 . 1 1 43 43 PRO HG3 H 1 1.798 0.02 . 2 . 440 . . 43 PRO HG3 . 18636 1 510 . 1 1 43 43 PRO HD2 H 1 3.595 0.02 . 2 . 441 . . 43 PRO HD2 . 18636 1 511 . 1 1 43 43 PRO HD3 H 1 3.479 0.02 . 2 . 442 . . 43 PRO HD3 . 18636 1 512 . 1 1 43 43 PRO C C 13 177.507 0.30 . 1 . 431 . . 43 PRO C . 18636 1 513 . 1 1 43 43 PRO CA C 13 61.652 0.30 . 1 . 432 . . 43 PRO CA . 18636 1 514 . 1 1 43 43 PRO CB C 13 32.286 0.30 . 1 . 433 . . 43 PRO CB . 18636 1 515 . 1 1 43 43 PRO CG C 13 27.256 0.30 . 1 . 434 . . 43 PRO CG . 18636 1 516 . 1 1 43 43 PRO CD C 13 49.938 0.30 . 1 . 435 . . 43 PRO CD . 18636 1 517 . 1 1 44 44 LYS H H 1 8.572 0.02 . 1 . 449 . . 44 LYS H . 18636 1 518 . 1 1 44 44 LYS HA H 1 3.459 0.02 . 1 . 450 . . 44 LYS HA . 18636 1 519 . 1 1 44 44 LYS HB2 H 1 1.471 0.02 . 2 . 451 . . 44 LYS HB2 . 18636 1 520 . 1 1 44 44 LYS HB3 H 1 1.448 0.02 . 2 . 452 . . 44 LYS HB3 . 18636 1 521 . 1 1 44 44 LYS HG2 H 1 1.230 0.02 . 2 . 453 . . 44 LYS HG2 . 18636 1 522 . 1 1 44 44 LYS HG3 H 1 1.053 0.02 . 2 . 454 . . 44 LYS HG3 . 18636 1 523 . 1 1 44 44 LYS HD2 H 1 1.486 0.02 . 1 . 455 . . 44 LYS HD2 . 18636 1 524 . 1 1 44 44 LYS HD3 H 1 1.486 0.02 . 1 . 1334 . . 44 LYS HD3 . 18636 1 525 . 1 1 44 44 LYS HE2 H 1 2.889 0.02 . 1 . 1335 . . 44 LYS HE2 . 18636 1 526 . 1 1 44 44 LYS HE3 H 1 2.889 0.02 . 1 . 456 . . 44 LYS HE3 . 18636 1 527 . 1 1 44 44 LYS C C 13 175.745 0.30 . 1 . 443 . . 44 LYS C . 18636 1 528 . 1 1 44 44 LYS CA C 13 58.012 0.30 . 1 . 444 . . 44 LYS CA . 18636 1 529 . 1 1 44 44 LYS CB C 13 31.526 0.30 . 1 . 445 . . 44 LYS CB . 18636 1 530 . 1 1 44 44 LYS CG C 13 23.821 0.30 . 1 . 446 . . 44 LYS CG . 18636 1 531 . 1 1 44 44 LYS CD C 13 29.772 0.30 . 1 . 447 . . 44 LYS CD . 18636 1 532 . 1 1 44 44 LYS CE C 13 41.613 0.30 . 1 . 448 . . 44 LYS CE . 18636 1 533 . 1 1 44 44 LYS N N 15 120.442 0.30 . 1 . 457 . . 44 LYS N . 18636 1 534 . 1 1 45 45 ALA H H 1 7.778 0.02 . 1 . 461 . . 45 ALA H . 18636 1 535 . 1 1 45 45 ALA HA H 1 4.113 0.02 . 1 . 462 . . 45 ALA HA . 18636 1 536 . 1 1 45 45 ALA HB1 H 1 1.269 0.02 . 1 . 463 . . 45 ALA HB1 . 18636 1 537 . 1 1 45 45 ALA HB2 H 1 1.269 0.02 . 1 . 463 . . 45 ALA HB2 . 18636 1 538 . 1 1 45 45 ALA HB3 H 1 1.269 0.02 . 1 . 463 . . 45 ALA HB3 . 18636 1 539 . 1 1 45 45 ALA C C 13 178.297 0.30 . 1 . 458 . . 45 ALA C . 18636 1 540 . 1 1 45 45 ALA CA C 13 53.871 0.30 . 1 . 459 . . 45 ALA CA . 18636 1 541 . 1 1 45 45 ALA CB C 13 18.825 0.30 . 1 . 460 . . 45 ALA CB . 18636 1 542 . 1 1 45 45 ALA N N 15 116.377 0.30 . 1 . 464 . . 45 ALA N . 18636 1 543 . 1 1 46 46 SER H H 1 7.204 0.02 . 1 . 468 . . 46 SER H . 18636 1 544 . 1 1 46 46 SER HA H 1 4.574 0.02 . 1 . 469 . . 46 SER HA . 18636 1 545 . 1 1 46 46 SER HB2 H 1 3.661 0.02 . 1 . 470 . . 46 SER HB2 . 18636 1 546 . 1 1 46 46 SER HB3 H 1 3.661 0.02 . 1 . 1336 . . 46 SER HB3 . 18636 1 547 . 1 1 46 46 SER C C 13 173.960 0.30 . 1 . 465 . . 46 SER C . 18636 1 548 . 1 1 46 46 SER CA C 13 58.489 0.30 . 1 . 466 . . 46 SER CA . 18636 1 549 . 1 1 46 46 SER CB C 13 64.612 0.30 . 1 . 467 . . 46 SER CB . 18636 1 550 . 1 1 46 46 SER N N 15 108.233 0.30 . 1 . 471 . . 46 SER N . 18636 1 551 . 1 1 47 47 MET H H 1 7.852 0.02 . 1 . 477 . . 47 MET H . 18636 1 552 . 1 1 47 47 MET HA H 1 4.039 0.02 . 1 . 478 . . 47 MET HA . 18636 1 553 . 1 1 47 47 MET HB2 H 1 1.754 0.02 . 2 . 479 . . 47 MET HB2 . 18636 1 554 . 1 1 47 47 MET HB3 H 1 1.505 0.02 . 2 . 480 . . 47 MET HB3 . 18636 1 555 . 1 1 47 47 MET HG2 H 1 2.521 0.02 . 2 . 481 . . 47 MET HG2 . 18636 1 556 . 1 1 47 47 MET HG3 H 1 2.296 0.02 . 2 . 482 . . 47 MET HG3 . 18636 1 557 . 1 1 47 47 MET HE1 H 1 1.883 0.02 . 1 . 483 . . 47 MET HE1 . 18636 1 558 . 1 1 47 47 MET HE2 H 1 1.883 0.02 . 1 . 483 . . 47 MET HE2 . 18636 1 559 . 1 1 47 47 MET HE3 H 1 1.883 0.02 . 1 . 483 . . 47 MET HE3 . 18636 1 560 . 1 1 47 47 MET C C 13 171.811 0.30 . 1 . 472 . . 47 MET C . 18636 1 561 . 1 1 47 47 MET CA C 13 52.755 0.30 . 1 . 473 . . 47 MET CA . 18636 1 562 . 1 1 47 47 MET CB C 13 31.414 0.30 . 1 . 474 . . 47 MET CB . 18636 1 563 . 1 1 47 47 MET CG C 13 32.818 0.30 . 1 . 475 . . 47 MET CG . 18636 1 564 . 1 1 47 47 MET CE C 13 16.196 0.30 . 1 . 476 . . 47 MET CE . 18636 1 565 . 1 1 47 47 MET N N 15 123.584 0.30 . 1 . 484 . . 47 MET N . 18636 1 566 . 1 1 48 48 GLY H H 1 5.767 0.02 . 1 . 487 . . 48 GLY H . 18636 1 567 . 1 1 48 48 GLY HA2 H 1 4.160 0.02 . 2 . 488 . . 48 GLY HA2 . 18636 1 568 . 1 1 48 48 GLY HA3 H 1 2.821 0.02 . 2 . 489 . . 48 GLY HA3 . 18636 1 569 . 1 1 48 48 GLY C C 13 168.535 0.30 . 1 . 485 . . 48 GLY C . 18636 1 570 . 1 1 48 48 GLY CA C 13 44.670 0.30 . 1 . 486 . . 48 GLY CA . 18636 1 571 . 1 1 48 48 GLY N N 15 110.884 0.30 . 1 . 490 . . 48 GLY N . 18636 1 572 . 1 1 49 49 HIS H H 1 8.128 0.02 . 1 . 495 . . 49 HIS H . 18636 1 573 . 1 1 49 49 HIS HA H 1 6.662 0.02 . 1 . 496 . . 49 HIS HA . 18636 1 574 . 1 1 49 49 HIS HB2 H 1 3.030 0.02 . 2 . 497 . . 49 HIS HB2 . 18636 1 575 . 1 1 49 49 HIS HB3 H 1 2.266 0.02 . 2 . 498 . . 49 HIS HB3 . 18636 1 576 . 1 1 49 49 HIS HD2 H 1 5.532 0.02 . 1 . 499 . . 49 HIS HD2 . 18636 1 577 . 1 1 49 49 HIS HE1 H 1 6.638 0.02 . 1 . 500 . . 49 HIS HE1 . 18636 1 578 . 1 1 49 49 HIS HE2 H 1 10.663 0.02 . 1 . 501 . . 49 HIS HE2 . 18636 1 579 . 1 1 49 49 HIS C C 13 175.561 0.30 . 1 . 491 . . 49 HIS C . 18636 1 580 . 1 1 49 49 HIS CA C 13 53.379 0.30 . 1 . 492 . . 49 HIS CA . 18636 1 581 . 1 1 49 49 HIS CB C 13 36.233 0.30 . 1 . 493 . . 49 HIS CB . 18636 1 582 . 1 1 49 49 HIS CD2 C 13 118.655 0.30 . 1 . 494 . . 49 HIS CD2 . 18636 1 583 . 1 1 49 49 HIS N N 15 111.380 0.30 . 1 . 502 . . 49 HIS N . 18636 1 584 . 1 1 49 49 HIS ND1 N 15 234.086 0.30 . 1 . 503 . . 49 HIS ND1 . 18636 1 585 . 1 1 49 49 HIS NE2 N 15 158.704 0.30 . 1 . 504 . . 49 HIS NE2 . 18636 1 586 . 1 1 50 50 ASN H H 1 10.319 0.02 . 1 . 509 . . 50 ASN H . 18636 1 587 . 1 1 50 50 ASN HA H 1 4.382 0.02 . 1 . 510 . . 50 ASN HA . 18636 1 588 . 1 1 50 50 ASN HB2 H 1 2.553 0.02 . 2 . 511 . . 50 ASN HB2 . 18636 1 589 . 1 1 50 50 ASN HB3 H 1 2.225 0.02 . 2 . 512 . . 50 ASN HB3 . 18636 1 590 . 1 1 50 50 ASN HD21 H 1 7.496 0.02 . 1 . 513 . . 50 ASN HD21 . 18636 1 591 . 1 1 50 50 ASN HD22 H 1 6.167 0.02 . 1 . 514 . . 50 ASN HD22 . 18636 1 592 . 1 1 50 50 ASN C C 13 171.362 0.30 . 1 . 505 . . 50 ASN C . 18636 1 593 . 1 1 50 50 ASN CA C 13 51.336 0.30 . 1 . 506 . . 50 ASN CA . 18636 1 594 . 1 1 50 50 ASN CB C 13 41.004 0.30 . 1 . 507 . . 50 ASN CB . 18636 1 595 . 1 1 50 50 ASN CG C 13 173.820 0.30 . 1 . 508 . . 50 ASN CG . 18636 1 596 . 1 1 50 50 ASN N N 15 123.441 0.30 . 1 . 515 . . 50 ASN N . 18636 1 597 . 1 1 50 50 ASN ND2 N 15 107.231 0.30 . 1 . 516 . . 50 ASN ND2 . 18636 1 598 . 1 1 51 51 LEU H H 1 7.099 0.02 . 1 . 523 . . 51 LEU H . 18636 1 599 . 1 1 51 51 LEU HA H 1 4.717 0.02 . 1 . 524 . . 51 LEU HA . 18636 1 600 . 1 1 51 51 LEU HB2 H 1 1.444 0.02 . 2 . 525 . . 51 LEU HB2 . 18636 1 601 . 1 1 51 51 LEU HB3 H 1 1.353 0.02 . 2 . 526 . . 51 LEU HB3 . 18636 1 602 . 1 1 51 51 LEU HG H 1 1.182 0.02 . 1 . 527 . . 51 LEU HG . 18636 1 603 . 1 1 51 51 LEU HD11 H 1 0.021 0.02 . 2 . 528 . . 51 LEU HD11 . 18636 1 604 . 1 1 51 51 LEU HD12 H 1 0.021 0.02 . 2 . 528 . . 51 LEU HD12 . 18636 1 605 . 1 1 51 51 LEU HD13 H 1 0.021 0.02 . 2 . 528 . . 51 LEU HD13 . 18636 1 606 . 1 1 51 51 LEU HD21 H 1 0.328 0.02 . 2 . 529 . . 51 LEU HD21 . 18636 1 607 . 1 1 51 51 LEU HD22 H 1 0.328 0.02 . 2 . 529 . . 51 LEU HD22 . 18636 1 608 . 1 1 51 51 LEU HD23 H 1 0.328 0.02 . 2 . 529 . . 51 LEU HD23 . 18636 1 609 . 1 1 51 51 LEU C C 13 175.930 0.30 . 1 . 517 . . 51 LEU C . 18636 1 610 . 1 1 51 51 LEU CA C 13 56.718 0.30 . 1 . 518 . . 51 LEU CA . 18636 1 611 . 1 1 51 51 LEU CB C 13 45.057 0.30 . 1 . 519 . . 51 LEU CB . 18636 1 612 . 1 1 51 51 LEU CG C 13 28.628 0.30 . 1 . 520 . . 51 LEU CG . 18636 1 613 . 1 1 51 51 LEU CD1 C 13 27.194 0.30 . 2 . 521 . . 51 LEU CD1 . 18636 1 614 . 1 1 51 51 LEU CD2 C 13 25.576 0.30 . 2 . 522 . . 51 LEU CD2 . 18636 1 615 . 1 1 51 51 LEU N N 15 112.398 0.30 . 1 . 530 . . 51 LEU N . 18636 1 616 . 1 1 52 52 VAL H H 1 9.225 0.02 . 1 . 536 . . 52 VAL H . 18636 1 617 . 1 1 52 52 VAL HA H 1 4.493 0.02 . 1 . 537 . . 52 VAL HA . 18636 1 618 . 1 1 52 52 VAL HB H 1 2.025 0.02 . 1 . 538 . . 52 VAL HB . 18636 1 619 . 1 1 52 52 VAL HG11 H 1 0.800 0.02 . 2 . 539 . . 52 VAL HG11 . 18636 1 620 . 1 1 52 52 VAL HG12 H 1 0.800 0.02 . 2 . 539 . . 52 VAL HG12 . 18636 1 621 . 1 1 52 52 VAL HG13 H 1 0.800 0.02 . 2 . 539 . . 52 VAL HG13 . 18636 1 622 . 1 1 52 52 VAL HG21 H 1 0.893 0.02 . 2 . 540 . . 52 VAL HG21 . 18636 1 623 . 1 1 52 52 VAL HG22 H 1 0.893 0.02 . 2 . 540 . . 52 VAL HG22 . 18636 1 624 . 1 1 52 52 VAL HG23 H 1 0.893 0.02 . 2 . 540 . . 52 VAL HG23 . 18636 1 625 . 1 1 52 52 VAL C C 13 174.580 0.30 . 1 . 531 . . 52 VAL C . 18636 1 626 . 1 1 52 52 VAL CA C 13 60.646 0.30 . 1 . 532 . . 52 VAL CA . 18636 1 627 . 1 1 52 52 VAL CB C 13 34.462 0.30 . 1 . 533 . . 52 VAL CB . 18636 1 628 . 1 1 52 52 VAL CG1 C 13 21.799 0.30 . 2 . 534 . . 52 VAL CG1 . 18636 1 629 . 1 1 52 52 VAL CG2 C 13 21.250 0.30 . 2 . 535 . . 52 VAL CG2 . 18636 1 630 . 1 1 52 52 VAL N N 15 126.166 0.30 . 1 . 541 . . 52 VAL N . 18636 1 631 . 1 1 53 53 ILE H H 1 7.908 0.02 . 1 . 548 . . 53 ILE H . 18636 1 632 . 1 1 53 53 ILE HA H 1 5.243 0.02 . 1 . 549 . . 53 ILE HA . 18636 1 633 . 1 1 53 53 ILE HB H 1 1.487 0.02 . 1 . 550 . . 53 ILE HB . 18636 1 634 . 1 1 53 53 ILE HG12 H 1 1.288 0.02 . 2 . 551 . . 53 ILE HG12 . 18636 1 635 . 1 1 53 53 ILE HG13 H 1 0.870 0.02 . 2 . 552 . . 53 ILE HG13 . 18636 1 636 . 1 1 53 53 ILE HG21 H 1 0.700 0.02 . 1 . 553 . . 53 ILE HG21 . 18636 1 637 . 1 1 53 53 ILE HG22 H 1 0.700 0.02 . 1 . 553 . . 53 ILE HG22 . 18636 1 638 . 1 1 53 53 ILE HG23 H 1 0.700 0.02 . 1 . 553 . . 53 ILE HG23 . 18636 1 639 . 1 1 53 53 ILE HD11 H 1 0.440 0.02 . 1 . 554 . . 53 ILE HD11 . 18636 1 640 . 1 1 53 53 ILE HD12 H 1 0.440 0.02 . 1 . 554 . . 53 ILE HD12 . 18636 1 641 . 1 1 53 53 ILE HD13 H 1 0.440 0.02 . 1 . 554 . . 53 ILE HD13 . 18636 1 642 . 1 1 53 53 ILE C C 13 174.372 0.30 . 1 . 542 . . 53 ILE C . 18636 1 643 . 1 1 53 53 ILE CA C 13 59.292 0.30 . 1 . 543 . . 53 ILE CA . 18636 1 644 . 1 1 53 53 ILE CB C 13 40.066 0.30 . 1 . 544 . . 53 ILE CB . 18636 1 645 . 1 1 53 53 ILE CG1 C 13 27.566 0.30 . 1 . 545 . . 53 ILE CG1 . 18636 1 646 . 1 1 53 53 ILE CG2 C 13 16.681 0.30 . 1 . 546 . . 53 ILE CG2 . 18636 1 647 . 1 1 53 53 ILE CD1 C 13 13.583 0.30 . 1 . 547 . . 53 ILE CD1 . 18636 1 648 . 1 1 53 53 ILE N N 15 122.662 0.30 . 1 . 555 . . 53 ILE N . 18636 1 649 . 1 1 54 54 ALA H H 1 8.656 0.02 . 1 . 559 . . 54 ALA H . 18636 1 650 . 1 1 54 54 ALA HA H 1 4.822 0.02 . 1 . 560 . . 54 ALA HA . 18636 1 651 . 1 1 54 54 ALA HB1 H 1 1.221 0.02 . 1 . 561 . . 54 ALA HB1 . 18636 1 652 . 1 1 54 54 ALA HB2 H 1 1.221 0.02 . 1 . 561 . . 54 ALA HB2 . 18636 1 653 . 1 1 54 54 ALA HB3 H 1 1.221 0.02 . 1 . 561 . . 54 ALA HB3 . 18636 1 654 . 1 1 54 54 ALA C C 13 175.199 0.30 . 1 . 556 . . 54 ALA C . 18636 1 655 . 1 1 54 54 ALA CA C 13 51.270 0.30 . 1 . 557 . . 54 ALA CA . 18636 1 656 . 1 1 54 54 ALA CB C 13 23.184 0.30 . 1 . 558 . . 54 ALA CB . 18636 1 657 . 1 1 54 54 ALA N N 15 127.995 0.30 . 1 . 562 . . 54 ALA N . 18636 1 658 . 1 1 55 55 LYS H H 1 9.756 0.02 . 1 . 569 . . 55 LYS H . 18636 1 659 . 1 1 55 55 LYS HA H 1 3.550 0.02 . 1 . 570 . . 55 LYS HA . 18636 1 660 . 1 1 55 55 LYS HB2 H 1 1.348 0.02 . 1 . 571 . . 55 LYS HB2 . 18636 1 661 . 1 1 55 55 LYS HB3 H 1 1.348 0.02 . 1 . 1337 . . 55 LYS HB3 . 18636 1 662 . 1 1 55 55 LYS HG2 H 1 1.376 0.02 . 1 . 572 . . 55 LYS HG2 . 18636 1 663 . 1 1 55 55 LYS HG3 H 1 1.376 0.02 . 1 . 1340 . . 55 LYS HG3 . 18636 1 664 . 1 1 55 55 LYS HD2 H 1 1.167 0.02 . 1 . 573 . . 55 LYS HD2 . 18636 1 665 . 1 1 55 55 LYS HD3 H 1 1.167 0.02 . 1 . 1338 . . 55 LYS HD3 . 18636 1 666 . 1 1 55 55 LYS HE2 H 1 2.765 0.02 . 1 . 574 . . 55 LYS HE2 . 18636 1 667 . 1 1 55 55 LYS HE3 H 1 2.765 0.02 . 1 . 1339 . . 55 LYS HE3 . 18636 1 668 . 1 1 55 55 LYS C C 13 178.653 0.30 . 1 . 563 . . 55 LYS C . 18636 1 669 . 1 1 55 55 LYS CA C 13 57.785 0.30 . 1 . 564 . . 55 LYS CA . 18636 1 670 . 1 1 55 55 LYS CB C 13 32.540 0.30 . 1 . 565 . . 55 LYS CB . 18636 1 671 . 1 1 55 55 LYS CG C 13 29.334 0.30 . 1 . 566 . . 55 LYS CG . 18636 1 672 . 1 1 55 55 LYS CD C 13 26.999 0.30 . 1 . 567 . . 55 LYS CD . 18636 1 673 . 1 1 55 55 LYS CE C 13 42.213 0.30 . 1 . 568 . . 55 LYS CE . 18636 1 674 . 1 1 55 55 LYS N N 15 121.922 0.30 . 1 . 575 . . 55 LYS N . 18636 1 675 . 1 1 56 56 ALA H H 1 8.861 0.02 . 1 . 579 . . 56 ALA H . 18636 1 676 . 1 1 56 56 ALA HA H 1 3.508 0.02 . 1 . 580 . . 56 ALA HA . 18636 1 677 . 1 1 56 56 ALA HB1 H 1 1.221 0.02 . 1 . 581 . . 56 ALA HB1 . 18636 1 678 . 1 1 56 56 ALA HB2 H 1 1.221 0.02 . 1 . 581 . . 56 ALA HB2 . 18636 1 679 . 1 1 56 56 ALA HB3 H 1 1.221 0.02 . 1 . 581 . . 56 ALA HB3 . 18636 1 680 . 1 1 56 56 ALA C C 13 180.599 0.30 . 1 . 576 . . 56 ALA C . 18636 1 681 . 1 1 56 56 ALA CA C 13 55.890 0.30 . 1 . 577 . . 56 ALA CA . 18636 1 682 . 1 1 56 56 ALA CB C 13 17.997 0.30 . 1 . 578 . . 56 ALA CB . 18636 1 683 . 1 1 56 56 ALA N N 15 124.666 0.30 . 1 . 582 . . 56 ALA N . 18636 1 684 . 1 1 57 57 GLU H H 1 9.463 0.02 . 1 . 587 . . 57 GLU H . 18636 1 685 . 1 1 57 57 GLU HA H 1 4.058 0.02 . 1 . 588 . . 57 GLU HA . 18636 1 686 . 1 1 57 57 GLU HB2 H 1 1.893 0.02 . 1 . 589 . . 57 GLU HB2 . 18636 1 687 . 1 1 57 57 GLU HB3 H 1 1.893 0.02 . 1 . 1341 . . 57 GLU HB3 . 18636 1 688 . 1 1 57 57 GLU HG2 H 1 2.090 0.02 . 2 . 590 . . 57 GLU HG2 . 18636 1 689 . 1 1 57 57 GLU HG3 H 1 2.018 0.02 . 2 . 591 . . 57 GLU HG3 . 18636 1 690 . 1 1 57 57 GLU C C 13 176.128 0.30 . 1 . 583 . . 57 GLU C . 18636 1 691 . 1 1 57 57 GLU CA C 13 57.908 0.30 . 1 . 584 . . 57 GLU CA . 18636 1 692 . 1 1 57 57 GLU CB C 13 28.356 0.30 . 1 . 585 . . 57 GLU CB . 18636 1 693 . 1 1 57 57 GLU CG C 13 35.680 0.30 . 1 . 586 . . 57 GLU CG . 18636 1 694 . 1 1 57 57 GLU N N 15 114.649 0.30 . 1 . 592 . . 57 GLU N . 18636 1 695 . 1 1 58 58 ASP H H 1 7.464 0.02 . 1 . 596 . . 58 ASP H . 18636 1 696 . 1 1 58 58 ASP HA H 1 4.685 0.02 . 1 . 597 . . 58 ASP HA . 18636 1 697 . 1 1 58 58 ASP HB2 H 1 2.453 0.02 . 2 . 598 . . 58 ASP HB2 . 18636 1 698 . 1 1 58 58 ASP HB3 H 1 2.532 0.02 . 2 . 599 . . 58 ASP HB3 . 18636 1 699 . 1 1 58 58 ASP C C 13 176.640 0.30 . 1 . 593 . . 58 ASP C . 18636 1 700 . 1 1 58 58 ASP CA C 13 54.529 0.30 . 1 . 594 . . 58 ASP CA . 18636 1 701 . 1 1 58 58 ASP CB C 13 42.719 0.30 . 1 . 595 . . 58 ASP CB . 18636 1 702 . 1 1 58 58 ASP N N 15 119.247 0.30 . 1 . 600 . . 58 ASP N . 18636 1 703 . 1 1 59 59 MET H H 1 6.924 0.02 . 1 . 606 . . 59 MET H . 18636 1 704 . 1 1 59 59 MET HA H 1 3.580 0.02 . 1 . 607 . . 59 MET HA . 18636 1 705 . 1 1 59 59 MET HB2 H 1 1.637 0.02 . 2 . 608 . . 59 MET HB2 . 18636 1 706 . 1 1 59 59 MET HB3 H 1 1.478 0.02 . 2 . 609 . . 59 MET HB3 . 18636 1 707 . 1 1 59 59 MET HG2 H 1 1.885 0.02 . 1 . 610 . . 59 MET HG2 . 18636 1 708 . 1 1 59 59 MET HG3 H 1 1.885 0.02 . 1 . 1342 . . 59 MET HG3 . 18636 1 709 . 1 1 59 59 MET HE1 H 1 1.907 0.02 . 1 . 611 . . 59 MET HE1 . 18636 1 710 . 1 1 59 59 MET HE2 H 1 1.907 0.02 . 1 . 611 . . 59 MET HE2 . 18636 1 711 . 1 1 59 59 MET HE3 H 1 1.907 0.02 . 1 . 611 . . 59 MET HE3 . 18636 1 712 . 1 1 59 59 MET C C 13 175.760 0.30 . 1 . 601 . . 59 MET C . 18636 1 713 . 1 1 59 59 MET CA C 13 57.617 0.30 . 1 . 602 . . 59 MET CA . 18636 1 714 . 1 1 59 59 MET CB C 13 30.692 0.30 . 1 . 603 . . 59 MET CB . 18636 1 715 . 1 1 59 59 MET CG C 13 32.896 0.30 . 1 . 604 . . 59 MET CG . 18636 1 716 . 1 1 59 59 MET CE C 13 16.560 0.30 . 1 . 605 . . 59 MET CE . 18636 1 717 . 1 1 59 59 MET N N 15 120.399 0.30 . 1 . 612 . . 59 MET N . 18636 1 718 . 1 1 60 60 ASP H H 1 8.471 0.02 . 1 . 616 . . 60 ASP H . 18636 1 719 . 1 1 60 60 ASP HA H 1 4.245 0.02 . 1 . 617 . . 60 ASP HA . 18636 1 720 . 1 1 60 60 ASP HB2 H 1 2.424 0.02 . 2 . 618 . . 60 ASP HB2 . 18636 1 721 . 1 1 60 60 ASP HB3 H 1 2.392 0.02 . 2 . 619 . . 60 ASP HB3 . 18636 1 722 . 1 1 60 60 ASP C C 13 179.042 0.30 . 1 . 613 . . 60 ASP C . 18636 1 723 . 1 1 60 60 ASP CA C 13 57.942 0.30 . 1 . 614 . . 60 ASP CA . 18636 1 724 . 1 1 60 60 ASP CB C 13 40.245 0.30 . 1 . 615 . . 60 ASP CB . 18636 1 725 . 1 1 60 60 ASP N N 15 116.757 0.30 . 1 . 620 . . 60 ASP N . 18636 1 726 . 1 1 61 61 GLY H H 1 7.995 0.02 . 1 . 623 . . 61 GLY H . 18636 1 727 . 1 1 61 61 GLY HA2 H 1 3.652 0.02 . 1 . 624 . . 61 GLY HA2 . 18636 1 728 . 1 1 61 61 GLY HA3 H 1 3.652 0.02 . 1 . 1343 . . 61 GLY HA3 . 18636 1 729 . 1 1 61 61 GLY C C 13 175.490 0.30 . 1 . 621 . . 61 GLY C . 18636 1 730 . 1 1 61 61 GLY CA C 13 46.732 0.30 . 1 . 622 . . 61 GLY CA . 18636 1 731 . 1 1 61 61 GLY N N 15 108.689 0.30 . 1 . 625 . . 61 GLY N . 18636 1 732 . 1 1 62 62 VAL H H 1 7.578 0.02 . 1 . 631 . . 62 VAL H . 18636 1 733 . 1 1 62 62 VAL HA H 1 3.398 0.02 . 1 . 632 . . 62 VAL HA . 18636 1 734 . 1 1 62 62 VAL HB H 1 1.943 0.02 . 1 . 633 . . 62 VAL HB . 18636 1 735 . 1 1 62 62 VAL HG11 H 1 0.597 0.02 . 2 . 634 . . 62 VAL HG11 . 18636 1 736 . 1 1 62 62 VAL HG12 H 1 0.597 0.02 . 2 . 634 . . 62 VAL HG12 . 18636 1 737 . 1 1 62 62 VAL HG13 H 1 0.597 0.02 . 2 . 634 . . 62 VAL HG13 . 18636 1 738 . 1 1 62 62 VAL HG21 H 1 0.628 0.02 . 2 . 635 . . 62 VAL HG21 . 18636 1 739 . 1 1 62 62 VAL HG22 H 1 0.628 0.02 . 2 . 635 . . 62 VAL HG22 . 18636 1 740 . 1 1 62 62 VAL HG23 H 1 0.628 0.02 . 2 . 635 . . 62 VAL HG23 . 18636 1 741 . 1 1 62 62 VAL C C 13 180.100 0.30 . 1 . 626 . . 62 VAL C . 18636 1 742 . 1 1 62 62 VAL CA C 13 66.806 0.30 . 1 . 627 . . 62 VAL CA . 18636 1 743 . 1 1 62 62 VAL CB C 13 30.901 0.30 . 1 . 628 . . 62 VAL CB . 18636 1 744 . 1 1 62 62 VAL CG1 C 13 23.157 0.30 . 2 . 629 . . 62 VAL CG1 . 18636 1 745 . 1 1 62 62 VAL CG2 C 13 21.030 0.30 . 2 . 630 . . 62 VAL CG2 . 18636 1 746 . 1 1 62 62 VAL N N 15 123.812 0.30 . 1 . 636 . . 62 VAL N . 18636 1 747 . 1 1 63 63 PHE H H 1 8.509 0.02 . 1 . 642 . . 63 PHE H . 18636 1 748 . 1 1 63 63 PHE HA H 1 4.383 0.02 . 1 . 643 . . 63 PHE HA . 18636 1 749 . 1 1 63 63 PHE HB2 H 1 3.254 0.02 . 2 . 644 . . 63 PHE HB2 . 18636 1 750 . 1 1 63 63 PHE HB3 H 1 3.145 0.02 . 2 . 645 . . 63 PHE HB3 . 18636 1 751 . 1 1 63 63 PHE HD1 H 1 7.048 0.02 . 3 . 646 . . 63 PHE HD1 . 18636 1 752 . 1 1 63 63 PHE HD2 H 1 7.048 0.02 . 3 . 646 . . 63 PHE HD2 . 18636 1 753 . 1 1 63 63 PHE HE1 H 1 7.113 0.02 . 3 . 647 . . 63 PHE HE1 . 18636 1 754 . 1 1 63 63 PHE HE2 H 1 7.113 0.02 . 3 . 647 . . 63 PHE HE2 . 18636 1 755 . 1 1 63 63 PHE C C 13 179.296 0.30 . 1 . 637 . . 63 PHE C . 18636 1 756 . 1 1 63 63 PHE CA C 13 58.530 0.30 . 1 . 638 . . 63 PHE CA . 18636 1 757 . 1 1 63 63 PHE CB C 13 38.062 0.30 . 1 . 639 . . 63 PHE CB . 18636 1 758 . 1 1 63 63 PHE CD1 C 13 130.015 0.30 . 3 . 640 . . 63 PHE CD1 . 18636 1 759 . 1 1 63 63 PHE CD2 C 13 130.015 0.30 . 3 . 640 . . 63 PHE CD2 . 18636 1 760 . 1 1 63 63 PHE CE1 C 13 130.388 0.30 . 3 . 641 . . 63 PHE CE1 . 18636 1 761 . 1 1 63 63 PHE CE2 C 13 130.388 0.30 . 3 . 641 . . 63 PHE CE2 . 18636 1 762 . 1 1 63 63 PHE N N 15 118.309 0.30 . 1 . 648 . . 63 PHE N . 18636 1 763 . 1 1 64 64 LYS H H 1 7.801 0.02 . 1 . 655 . . 64 LYS H . 18636 1 764 . 1 1 64 64 LYS HA H 1 3.919 0.02 . 1 . 656 . . 64 LYS HA . 18636 1 765 . 1 1 64 64 LYS HB2 H 1 1.840 0.02 . 1 . 1344 . . 64 LYS HB2 . 18636 1 766 . 1 1 64 64 LYS HB3 H 1 1.840 0.02 . 1 . 657 . . 64 LYS HB3 . 18636 1 767 . 1 1 64 64 LYS HG2 H 1 1.480 0.02 . 2 . 658 . . 64 LYS HG2 . 18636 1 768 . 1 1 64 64 LYS HG3 H 1 1.327 0.02 . 2 . 659 . . 64 LYS HG3 . 18636 1 769 . 1 1 64 64 LYS HD2 H 1 1.546 0.02 . 1 . 1345 . . 64 LYS HD2 . 18636 1 770 . 1 1 64 64 LYS HD3 H 1 1.546 0.02 . 1 . 660 . . 64 LYS HD3 . 18636 1 771 . 1 1 64 64 LYS HE2 H 1 2.857 0.02 . 1 . 661 . . 64 LYS HE2 . 18636 1 772 . 1 1 64 64 LYS HE3 H 1 2.857 0.02 . 1 . 1346 . . 64 LYS HE3 . 18636 1 773 . 1 1 64 64 LYS C C 13 179.594 0.30 . 1 . 649 . . 64 LYS C . 18636 1 774 . 1 1 64 64 LYS CA C 13 59.464 0.30 . 1 . 650 . . 64 LYS CA . 18636 1 775 . 1 1 64 64 LYS CB C 13 32.323 0.30 . 1 . 651 . . 64 LYS CB . 18636 1 776 . 1 1 64 64 LYS CG C 13 25.067 0.30 . 1 . 652 . . 64 LYS CG . 18636 1 777 . 1 1 64 64 LYS CD C 13 29.108 0.30 . 1 . 653 . . 64 LYS CD . 18636 1 778 . 1 1 64 64 LYS CE C 13 42.064 0.30 . 1 . 654 . . 64 LYS CE . 18636 1 779 . 1 1 64 64 LYS N N 15 119.026 0.30 . 1 . 662 . . 64 LYS N . 18636 1 780 . 1 1 65 65 ASP H H 1 8.114 0.02 . 1 . 666 . . 65 ASP H . 18636 1 781 . 1 1 65 65 ASP HA H 1 4.539 0.02 . 1 . 667 . . 65 ASP HA . 18636 1 782 . 1 1 65 65 ASP HB2 H 1 2.458 0.02 . 2 . 668 . . 65 ASP HB2 . 18636 1 783 . 1 1 65 65 ASP HB3 H 1 2.405 0.02 . 2 . 669 . . 65 ASP HB3 . 18636 1 784 . 1 1 65 65 ASP C C 13 177.745 0.30 . 1 . 663 . . 65 ASP C . 18636 1 785 . 1 1 65 65 ASP CA C 13 56.056 0.30 . 1 . 664 . . 65 ASP CA . 18636 1 786 . 1 1 65 65 ASP CB C 13 40.539 0.30 . 1 . 665 . . 65 ASP CB . 18636 1 787 . 1 1 65 65 ASP N N 15 117.559 0.30 . 1 . 670 . . 65 ASP N . 18636 1 788 . 1 1 66 66 GLY H H 1 8.183 0.02 . 1 . 673 . . 66 GLY H . 18636 1 789 . 1 1 66 66 GLY HA2 H 1 3.676 0.02 . 2 . 674 . . 66 GLY HA2 . 18636 1 790 . 1 1 66 66 GLY HA3 H 1 3.490 0.02 . 2 . 675 . . 66 GLY HA3 . 18636 1 791 . 1 1 66 66 GLY C C 13 175.705 0.30 . 1 . 671 . . 66 GLY C . 18636 1 792 . 1 1 66 66 GLY CA C 13 46.433 0.30 . 1 . 672 . . 66 GLY CA . 18636 1 793 . 1 1 66 66 GLY N N 15 110.045 0.30 . 1 . 676 . . 66 GLY N . 18636 1 794 . 1 1 67 67 VAL H H 1 7.155 0.02 . 1 . 682 . . 67 VAL H . 18636 1 795 . 1 1 67 67 VAL HA H 1 3.602 0.02 . 1 . 683 . . 67 VAL HA . 18636 1 796 . 1 1 67 67 VAL HB H 1 1.996 0.02 . 1 . 684 . . 67 VAL HB . 18636 1 797 . 1 1 67 67 VAL HG11 H 1 0.988 0.02 . 2 . 685 . . 67 VAL HG11 . 18636 1 798 . 1 1 67 67 VAL HG12 H 1 0.988 0.02 . 2 . 685 . . 67 VAL HG12 . 18636 1 799 . 1 1 67 67 VAL HG13 H 1 0.988 0.02 . 2 . 685 . . 67 VAL HG13 . 18636 1 800 . 1 1 67 67 VAL HG21 H 1 0.847 0.02 . 2 . 686 . . 67 VAL HG21 . 18636 1 801 . 1 1 67 67 VAL HG22 H 1 0.847 0.02 . 2 . 686 . . 67 VAL HG22 . 18636 1 802 . 1 1 67 67 VAL HG23 H 1 0.847 0.02 . 2 . 686 . . 67 VAL HG23 . 18636 1 803 . 1 1 67 67 VAL C C 13 176.875 0.30 . 1 . 677 . . 67 VAL C . 18636 1 804 . 1 1 67 67 VAL CA C 13 66.207 0.30 . 1 . 678 . . 67 VAL CA . 18636 1 805 . 1 1 67 67 VAL CB C 13 31.666 0.30 . 1 . 679 . . 67 VAL CB . 18636 1 806 . 1 1 67 67 VAL CG1 C 13 22.231 0.30 . 2 . 680 . . 67 VAL CG1 . 18636 1 807 . 1 1 67 67 VAL CG2 C 13 21.064 0.30 . 2 . 681 . . 67 VAL CG2 . 18636 1 808 . 1 1 67 67 VAL N N 15 118.044 0.30 . 1 . 687 . . 67 VAL N . 18636 1 809 . 1 1 68 68 GLY H H 1 7.482 0.02 . 1 . 690 . . 68 GLY H . 18636 1 810 . 1 1 68 68 GLY HA2 H 1 4.202 0.02 . 2 . 691 . . 68 GLY HA2 . 18636 1 811 . 1 1 68 68 GLY HA3 H 1 3.573 0.02 . 2 . 692 . . 68 GLY HA3 . 18636 1 812 . 1 1 68 68 GLY C C 13 174.199 0.30 . 1 . 688 . . 68 GLY C . 18636 1 813 . 1 1 68 68 GLY CA C 13 44.930 0.30 . 1 . 689 . . 68 GLY CA . 18636 1 814 . 1 1 68 68 GLY N N 15 105.021 0.30 . 1 . 693 . . 68 GLY N . 18636 1 815 . 1 1 69 69 ALA H H 1 7.595 0.02 . 1 . 697 . . 69 ALA H . 18636 1 816 . 1 1 69 69 ALA HA H 1 4.662 0.02 . 1 . 698 . . 69 ALA HA . 18636 1 817 . 1 1 69 69 ALA HB1 H 1 0.937 0.02 . 1 . 699 . . 69 ALA HB1 . 18636 1 818 . 1 1 69 69 ALA HB2 H 1 0.937 0.02 . 1 . 699 . . 69 ALA HB2 . 18636 1 819 . 1 1 69 69 ALA HB3 H 1 0.937 0.02 . 1 . 699 . . 69 ALA HB3 . 18636 1 820 . 1 1 69 69 ALA C C 13 177.914 0.30 . 1 . 694 . . 69 ALA C . 18636 1 821 . 1 1 69 69 ALA CA C 13 50.058 0.30 . 1 . 695 . . 69 ALA CA . 18636 1 822 . 1 1 69 69 ALA CB C 13 17.563 0.30 . 1 . 696 . . 69 ALA CB . 18636 1 823 . 1 1 69 69 ALA N N 15 125.654 0.30 . 1 . 700 . . 69 ALA N . 18636 1 824 . 1 1 70 70 ALA H H 1 7.611 0.02 . 1 . 704 . . 70 ALA H . 18636 1 825 . 1 1 70 70 ALA HA H 1 2.070 0.02 . 1 . 705 . . 70 ALA HA . 18636 1 826 . 1 1 70 70 ALA HB1 H 1 1.019 0.02 . 1 . 706 . . 70 ALA HB1 . 18636 1 827 . 1 1 70 70 ALA HB2 H 1 1.019 0.02 . 1 . 706 . . 70 ALA HB2 . 18636 1 828 . 1 1 70 70 ALA HB3 H 1 1.019 0.02 . 1 . 706 . . 70 ALA HB3 . 18636 1 829 . 1 1 70 70 ALA C C 13 178.393 0.30 . 1 . 701 . . 70 ALA C . 18636 1 830 . 1 1 70 70 ALA CA C 13 55.041 0.30 . 1 . 702 . . 70 ALA CA . 18636 1 831 . 1 1 70 70 ALA CB C 13 19.122 0.30 . 1 . 703 . . 70 ALA CB . 18636 1 832 . 1 1 70 70 ALA N N 15 124.580 0.30 . 1 . 707 . . 70 ALA N . 18636 1 833 . 1 1 71 71 ASP H H 1 8.437 0.02 . 1 . 711 . . 71 ASP H . 18636 1 834 . 1 1 71 71 ASP HA H 1 4.284 0.02 . 1 . 712 . . 71 ASP HA . 18636 1 835 . 1 1 71 71 ASP HB2 H 1 2.552 0.02 . 2 . 713 . . 71 ASP HB2 . 18636 1 836 . 1 1 71 71 ASP HB3 H 1 2.506 0.02 . 2 . 714 . . 71 ASP HB3 . 18636 1 837 . 1 1 71 71 ASP C C 13 176.898 0.30 . 1 . 708 . . 71 ASP C . 18636 1 838 . 1 1 71 71 ASP CA C 13 55.005 0.30 . 1 . 709 . . 71 ASP CA . 18636 1 839 . 1 1 71 71 ASP CB C 13 39.908 0.30 . 1 . 710 . . 71 ASP CB . 18636 1 840 . 1 1 71 71 ASP N N 15 112.252 0.30 . 1 . 715 . . 71 ASP N . 18636 1 841 . 1 1 72 72 THR H H 1 7.491 0.02 . 1 . 720 . . 72 THR H . 18636 1 842 . 1 1 72 72 THR HA H 1 4.387 0.02 . 1 . 721 . . 72 THR HA . 18636 1 843 . 1 1 72 72 THR HB H 1 4.521 0.02 . 1 . 722 . . 72 THR HB . 18636 1 844 . 1 1 72 72 THR HG21 H 1 0.843 0.02 . 1 . 723 . . 72 THR HG21 . 18636 1 845 . 1 1 72 72 THR HG22 H 1 0.843 0.02 . 1 . 723 . . 72 THR HG22 . 18636 1 846 . 1 1 72 72 THR HG23 H 1 0.843 0.02 . 1 . 723 . . 72 THR HG23 . 18636 1 847 . 1 1 72 72 THR C C 13 174.606 0.30 . 1 . 716 . . 72 THR C . 18636 1 848 . 1 1 72 72 THR CA C 13 59.052 0.30 . 1 . 717 . . 72 THR CA . 18636 1 849 . 1 1 72 72 THR CB C 13 68.024 0.30 . 1 . 718 . . 72 THR CB . 18636 1 850 . 1 1 72 72 THR CG2 C 13 20.171 0.30 . 1 . 719 . . 72 THR CG2 . 18636 1 851 . 1 1 72 72 THR N N 15 111.808 0.30 . 1 . 724 . . 72 THR N . 18636 1 852 . 1 1 73 73 ASP H H 1 7.851 0.02 . 1 . 728 . . 73 ASP H . 18636 1 853 . 1 1 73 73 ASP HA H 1 3.941 0.02 . 1 . 729 . . 73 ASP HA . 18636 1 854 . 1 1 73 73 ASP HB2 H 1 2.875 0.02 . 1 . 730 . . 73 ASP HB2 . 18636 1 855 . 1 1 73 73 ASP HB3 H 1 2.875 0.02 . 1 . 1347 . . 73 ASP HB3 . 18636 1 856 . 1 1 73 73 ASP C C 13 172.359 0.30 . 1 . 725 . . 73 ASP C . 18636 1 857 . 1 1 73 73 ASP CA C 13 56.747 0.30 . 1 . 726 . . 73 ASP CA . 18636 1 858 . 1 1 73 73 ASP CB C 13 38.488 0.30 . 1 . 727 . . 73 ASP CB . 18636 1 859 . 1 1 73 73 ASP N N 15 112.252 0.30 . 1 . 731 . . 73 ASP N . 18636 1 860 . 1 1 74 74 TYR H H 1 7.607 0.02 . 1 . 737 . . 74 TYR H . 18636 1 861 . 1 1 74 74 TYR HA H 1 3.379 0.02 . 1 . 738 . . 74 TYR HA . 18636 1 862 . 1 1 74 74 TYR HB2 H 1 2.993 0.02 . 2 . 739 . . 74 TYR HB2 . 18636 1 863 . 1 1 74 74 TYR HB3 H 1 2.583 0.02 . 2 . 740 . . 74 TYR HB3 . 18636 1 864 . 1 1 74 74 TYR HD1 H 1 6.927 0.02 . 3 . 741 . . 74 TYR HD1 . 18636 1 865 . 1 1 74 74 TYR HD2 H 1 6.927 0.02 . 3 . 741 . . 74 TYR HD2 . 18636 1 866 . 1 1 74 74 TYR HE1 H 1 6.508 0.02 . 3 . 742 . . 74 TYR HE1 . 18636 1 867 . 1 1 74 74 TYR HE2 H 1 6.508 0.02 . 3 . 742 . . 74 TYR HE2 . 18636 1 868 . 1 1 74 74 TYR C C 13 175.064 0.30 . 1 . 732 . . 74 TYR C . 18636 1 869 . 1 1 74 74 TYR CA C 13 61.049 0.30 . 1 . 733 . . 74 TYR CA . 18636 1 870 . 1 1 74 74 TYR CB C 13 33.285 0.30 . 1 . 734 . . 74 TYR CB . 18636 1 871 . 1 1 74 74 TYR CD1 C 13 133.047 0.30 . 3 . 735 . . 74 TYR CD1 . 18636 1 872 . 1 1 74 74 TYR CD2 C 13 133.047 0.30 . 3 . 735 . . 74 TYR CD2 . 18636 1 873 . 1 1 74 74 TYR CE1 C 13 117.972 0.30 . 3 . 736 . . 74 TYR CE1 . 18636 1 874 . 1 1 74 74 TYR CE2 C 13 117.972 0.30 . 3 . 736 . . 74 TYR CE2 . 18636 1 875 . 1 1 74 74 TYR N N 15 106.164 0.30 . 1 . 743 . . 74 TYR N . 18636 1 876 . 1 1 75 75 VAL H H 1 7.161 0.02 . 1 . 749 . . 75 VAL H . 18636 1 877 . 1 1 75 75 VAL HA H 1 3.903 0.02 . 1 . 750 . . 75 VAL HA . 18636 1 878 . 1 1 75 75 VAL HB H 1 1.304 0.02 . 1 . 751 . . 75 VAL HB . 18636 1 879 . 1 1 75 75 VAL HG11 H 1 0.483 0.02 . 2 . 752 . . 75 VAL HG11 . 18636 1 880 . 1 1 75 75 VAL HG12 H 1 0.483 0.02 . 2 . 752 . . 75 VAL HG12 . 18636 1 881 . 1 1 75 75 VAL HG13 H 1 0.483 0.02 . 2 . 752 . . 75 VAL HG13 . 18636 1 882 . 1 1 75 75 VAL HG21 H 1 0.315 0.02 . 2 . 753 . . 75 VAL HG21 . 18636 1 883 . 1 1 75 75 VAL HG22 H 1 0.315 0.02 . 2 . 753 . . 75 VAL HG22 . 18636 1 884 . 1 1 75 75 VAL HG23 H 1 0.315 0.02 . 2 . 753 . . 75 VAL HG23 . 18636 1 885 . 1 1 75 75 VAL C C 13 175.714 0.30 . 1 . 744 . . 75 VAL C . 18636 1 886 . 1 1 75 75 VAL CA C 13 61.151 0.30 . 1 . 745 . . 75 VAL CA . 18636 1 887 . 1 1 75 75 VAL CB C 13 35.119 0.30 . 1 . 746 . . 75 VAL CB . 18636 1 888 . 1 1 75 75 VAL CG1 C 13 21.771 0.30 . 2 . 747 . . 75 VAL CG1 . 18636 1 889 . 1 1 75 75 VAL CG2 C 13 21.677 0.30 . 2 . 748 . . 75 VAL CG2 . 18636 1 890 . 1 1 75 75 VAL N N 15 117.206 0.30 . 1 . 754 . . 75 VAL N . 18636 1 891 . 1 1 76 76 LYS H H 1 9.045 0.02 . 1 . 761 . . 76 LYS H . 18636 1 892 . 1 1 76 76 LYS HA H 1 3.961 0.02 . 1 . 762 . . 76 LYS HA . 18636 1 893 . 1 1 76 76 LYS HB2 H 1 1.676 0.02 . 2 . 763 . . 76 LYS HB2 . 18636 1 894 . 1 1 76 76 LYS HB3 H 1 1.502 0.02 . 2 . 764 . . 76 LYS HB3 . 18636 1 895 . 1 1 76 76 LYS HG2 H 1 1.281 0.02 . 1 . 765 . . 76 LYS HG2 . 18636 1 896 . 1 1 76 76 LYS HG3 H 1 1.281 0.02 . 1 . 1349 . . 76 LYS HG3 . 18636 1 897 . 1 1 76 76 LYS HD2 H 1 1.318 0.02 . 1 . 766 . . 76 LYS HD2 . 18636 1 898 . 1 1 76 76 LYS HD3 H 1 1.318 0.02 . 1 . 1348 . . 76 LYS HD3 . 18636 1 899 . 1 1 76 76 LYS HE2 H 1 2.793 0.02 . 2 . 767 . . 76 LYS HE2 . 18636 1 900 . 1 1 76 76 LYS HE3 H 1 2.749 0.02 . 2 . 768 . . 76 LYS HE3 . 18636 1 901 . 1 1 76 76 LYS C C 13 174.440 0.30 . 1 . 755 . . 76 LYS C . 18636 1 902 . 1 1 76 76 LYS CA C 13 55.007 0.30 . 1 . 756 . . 76 LYS CA . 18636 1 903 . 1 1 76 76 LYS CB C 13 32.470 0.30 . 1 . 757 . . 76 LYS CB . 18636 1 904 . 1 1 76 76 LYS CG C 13 23.927 0.30 . 1 . 758 . . 76 LYS CG . 18636 1 905 . 1 1 76 76 LYS CD C 13 29.937 0.30 . 1 . 759 . . 76 LYS CD . 18636 1 906 . 1 1 76 76 LYS CE C 13 41.934 0.30 . 1 . 760 . . 76 LYS CE . 18636 1 907 . 1 1 76 76 LYS N N 15 132.125 0.30 . 1 . 769 . . 76 LYS N . 18636 1 908 . 1 1 77 77 PRO HA H 1 4.134 0.02 . 1 . 775 . . 77 PRO HA . 18636 1 909 . 1 1 77 77 PRO HB2 H 1 2.158 0.02 . 2 . 776 . . 77 PRO HB2 . 18636 1 910 . 1 1 77 77 PRO HB3 H 1 1.722 0.02 . 2 . 777 . . 77 PRO HB3 . 18636 1 911 . 1 1 77 77 PRO HG2 H 1 1.960 0.02 . 2 . 778 . . 77 PRO HG2 . 18636 1 912 . 1 1 77 77 PRO HG3 H 1 1.915 0.02 . 2 . 779 . . 77 PRO HG3 . 18636 1 913 . 1 1 77 77 PRO HD2 H 1 3.873 0.02 . 2 . 780 . . 77 PRO HD2 . 18636 1 914 . 1 1 77 77 PRO HD3 H 1 3.425 0.02 . 2 . 781 . . 77 PRO HD3 . 18636 1 915 . 1 1 77 77 PRO C C 13 176.757 0.30 . 1 . 770 . . 77 PRO C . 18636 1 916 . 1 1 77 77 PRO CA C 13 63.959 0.30 . 1 . 771 . . 77 PRO CA . 18636 1 917 . 1 1 77 77 PRO CB C 13 31.860 0.30 . 1 . 772 . . 77 PRO CB . 18636 1 918 . 1 1 77 77 PRO CG C 13 27.944 0.30 . 1 . 773 . . 77 PRO CG . 18636 1 919 . 1 1 77 77 PRO CD C 13 51.018 0.30 . 1 . 774 . . 77 PRO CD . 18636 1 920 . 1 1 78 78 ASP H H 1 8.547 0.02 . 1 . 785 . . 78 ASP H . 18636 1 921 . 1 1 78 78 ASP HA H 1 4.155 0.02 . 1 . 786 . . 78 ASP HA . 18636 1 922 . 1 1 78 78 ASP HB2 H 1 2.689 0.02 . 2 . 787 . . 78 ASP HB2 . 18636 1 923 . 1 1 78 78 ASP HB3 H 1 2.608 0.02 . 2 . 788 . . 78 ASP HB3 . 18636 1 924 . 1 1 78 78 ASP C C 13 175.406 0.30 . 1 . 782 . . 78 ASP C . 18636 1 925 . 1 1 78 78 ASP CA C 13 54.584 0.30 . 1 . 783 . . 78 ASP CA . 18636 1 926 . 1 1 78 78 ASP CB C 13 39.275 0.30 . 1 . 784 . . 78 ASP CB . 18636 1 927 . 1 1 78 78 ASP N N 15 117.906 0.30 . 1 . 789 . . 78 ASP N . 18636 1 928 . 1 1 79 79 ASP H H 1 7.415 0.02 . 1 . 793 . . 79 ASP H . 18636 1 929 . 1 1 79 79 ASP HA H 1 4.124 0.02 . 1 . 794 . . 79 ASP HA . 18636 1 930 . 1 1 79 79 ASP HB2 H 1 2.744 0.02 . 1 . 795 . . 79 ASP HB2 . 18636 1 931 . 1 1 79 79 ASP HB3 H 1 2.744 0.02 . 1 . 1350 . . 79 ASP HB3 . 18636 1 932 . 1 1 79 79 ASP C C 13 177.957 0.30 . 1 . 790 . . 79 ASP C . 18636 1 933 . 1 1 79 79 ASP CA C 13 54.380 0.30 . 1 . 791 . . 79 ASP CA . 18636 1 934 . 1 1 79 79 ASP CB C 13 41.158 0.30 . 1 . 792 . . 79 ASP CB . 18636 1 935 . 1 1 79 79 ASP N N 15 117.724 0.30 . 1 . 796 . . 79 ASP N . 18636 1 936 . 1 1 80 80 ALA H H 1 8.540 0.02 . 1 . 800 . . 80 ALA H . 18636 1 937 . 1 1 80 80 ALA HA H 1 4.069 0.02 . 1 . 801 . . 80 ALA HA . 18636 1 938 . 1 1 80 80 ALA HB1 H 1 1.353 0.02 . 1 . 802 . . 80 ALA HB1 . 18636 1 939 . 1 1 80 80 ALA HB2 H 1 1.353 0.02 . 1 . 802 . . 80 ALA HB2 . 18636 1 940 . 1 1 80 80 ALA HB3 H 1 1.353 0.02 . 1 . 802 . . 80 ALA HB3 . 18636 1 941 . 1 1 80 80 ALA C C 13 178.706 0.30 . 1 . 797 . . 80 ALA C . 18636 1 942 . 1 1 80 80 ALA CA C 13 53.765 0.30 . 1 . 798 . . 80 ALA CA . 18636 1 943 . 1 1 80 80 ALA CB C 13 18.421 0.30 . 1 . 799 . . 80 ALA CB . 18636 1 944 . 1 1 80 80 ALA N N 15 131.419 0.30 . 1 . 803 . . 80 ALA N . 18636 1 945 . 1 1 81 81 ARG H H 1 8.463 0.02 . 1 . 809 . . 81 ARG H . 18636 1 946 . 1 1 81 81 ARG HA H 1 3.939 0.02 . 1 . 810 . . 81 ARG HA . 18636 1 947 . 1 1 81 81 ARG HB2 H 1 1.657 0.02 . 2 . 811 . . 81 ARG HB2 . 18636 1 948 . 1 1 81 81 ARG HB3 H 1 1.561 0.02 . 2 . 812 . . 81 ARG HB3 . 18636 1 949 . 1 1 81 81 ARG HG2 H 1 1.629 0.02 . 2 . 813 . . 81 ARG HG2 . 18636 1 950 . 1 1 81 81 ARG HG3 H 1 1.493 0.02 . 2 . 814 . . 81 ARG HG3 . 18636 1 951 . 1 1 81 81 ARG HD2 H 1 3.236 0.02 . 2 . 815 . . 81 ARG HD2 . 18636 1 952 . 1 1 81 81 ARG HD3 H 1 2.778 0.02 . 2 . 816 . . 81 ARG HD3 . 18636 1 953 . 1 1 81 81 ARG C C 13 176.943 0.30 . 1 . 804 . . 81 ARG C . 18636 1 954 . 1 1 81 81 ARG CA C 13 56.271 0.30 . 1 . 805 . . 81 ARG CA . 18636 1 955 . 1 1 81 81 ARG CB C 13 30.816 0.30 . 1 . 806 . . 81 ARG CB . 18636 1 956 . 1 1 81 81 ARG CG C 13 25.663 0.30 . 1 . 807 . . 81 ARG CG . 18636 1 957 . 1 1 81 81 ARG CD C 13 42.604 0.30 . 1 . 808 . . 81 ARG CD . 18636 1 958 . 1 1 81 81 ARG N N 15 114.918 0.30 . 1 . 817 . . 81 ARG N . 18636 1 959 . 1 1 82 82 VAL H H 1 7.250 0.02 . 1 . 823 . . 82 VAL H . 18636 1 960 . 1 1 82 82 VAL HA H 1 4.058 0.02 . 1 . 824 . . 82 VAL HA . 18636 1 961 . 1 1 82 82 VAL HB H 1 2.115 0.02 . 1 . 825 . . 82 VAL HB . 18636 1 962 . 1 1 82 82 VAL HG11 H 1 0.687 0.02 . 2 . 826 . . 82 VAL HG11 . 18636 1 963 . 1 1 82 82 VAL HG12 H 1 0.687 0.02 . 2 . 826 . . 82 VAL HG12 . 18636 1 964 . 1 1 82 82 VAL HG13 H 1 0.687 0.02 . 2 . 826 . . 82 VAL HG13 . 18636 1 965 . 1 1 82 82 VAL HG21 H 1 0.848 0.02 . 2 . 827 . . 82 VAL HG21 . 18636 1 966 . 1 1 82 82 VAL HG22 H 1 0.848 0.02 . 2 . 827 . . 82 VAL HG22 . 18636 1 967 . 1 1 82 82 VAL HG23 H 1 0.848 0.02 . 2 . 827 . . 82 VAL HG23 . 18636 1 968 . 1 1 82 82 VAL C C 13 175.714 0.30 . 1 . 818 . . 82 VAL C . 18636 1 969 . 1 1 82 82 VAL CA C 13 61.974 0.30 . 1 . 819 . . 82 VAL CA . 18636 1 970 . 1 1 82 82 VAL CB C 13 31.706 0.30 . 1 . 820 . . 82 VAL CB . 18636 1 971 . 1 1 82 82 VAL CG1 C 13 22.883 0.30 . 2 . 821 . . 82 VAL CG1 . 18636 1 972 . 1 1 82 82 VAL CG2 C 13 22.771 0.30 . 2 . 822 . . 82 VAL CG2 . 18636 1 973 . 1 1 82 82 VAL N N 15 117.776 0.30 . 1 . 828 . . 82 VAL N . 18636 1 974 . 1 1 83 83 VAL H H 1 8.710 0.02 . 1 . 834 . . 83 VAL H . 18636 1 975 . 1 1 83 83 VAL HA H 1 3.661 0.02 . 1 . 835 . . 83 VAL HA . 18636 1 976 . 1 1 83 83 VAL HB H 1 1.551 0.02 . 1 . 836 . . 83 VAL HB . 18636 1 977 . 1 1 83 83 VAL HG11 H 1 0.940 0.02 . 2 . 837 . . 83 VAL HG11 . 18636 1 978 . 1 1 83 83 VAL HG12 H 1 0.940 0.02 . 2 . 837 . . 83 VAL HG12 . 18636 1 979 . 1 1 83 83 VAL HG13 H 1 0.940 0.02 . 2 . 837 . . 83 VAL HG13 . 18636 1 980 . 1 1 83 83 VAL HG21 H 1 0.683 0.02 . 2 . 838 . . 83 VAL HG21 . 18636 1 981 . 1 1 83 83 VAL HG22 H 1 0.683 0.02 . 2 . 838 . . 83 VAL HG22 . 18636 1 982 . 1 1 83 83 VAL HG23 H 1 0.683 0.02 . 2 . 838 . . 83 VAL HG23 . 18636 1 983 . 1 1 83 83 VAL C C 13 176.317 0.30 . 1 . 829 . . 83 VAL C . 18636 1 984 . 1 1 83 83 VAL CA C 13 64.594 0.30 . 1 . 830 . . 83 VAL CA . 18636 1 985 . 1 1 83 83 VAL CB C 13 32.870 0.30 . 1 . 831 . . 83 VAL CB . 18636 1 986 . 1 1 83 83 VAL CG1 C 13 22.510 0.30 . 2 . 832 . . 83 VAL CG1 . 18636 1 987 . 1 1 83 83 VAL CG2 C 13 20.872 0.30 . 2 . 833 . . 83 VAL CG2 . 18636 1 988 . 1 1 83 83 VAL N N 15 130.019 0.30 . 1 . 839 . . 83 VAL N . 18636 1 989 . 1 1 84 84 ALA H H 1 7.305 0.02 . 1 . 843 . . 84 ALA H . 18636 1 990 . 1 1 84 84 ALA HA H 1 4.553 0.02 . 1 . 844 . . 84 ALA HA . 18636 1 991 . 1 1 84 84 ALA HB1 H 1 1.323 0.02 . 1 . 845 . . 84 ALA HB1 . 18636 1 992 . 1 1 84 84 ALA HB2 H 1 1.323 0.02 . 1 . 845 . . 84 ALA HB2 . 18636 1 993 . 1 1 84 84 ALA HB3 H 1 1.323 0.02 . 1 . 845 . . 84 ALA HB3 . 18636 1 994 . 1 1 84 84 ALA C C 13 174.531 0.30 . 1 . 840 . . 84 ALA C . 18636 1 995 . 1 1 84 84 ALA CA C 13 51.212 0.30 . 1 . 841 . . 84 ALA CA . 18636 1 996 . 1 1 84 84 ALA CB C 13 23.632 0.30 . 1 . 842 . . 84 ALA CB . 18636 1 997 . 1 1 84 84 ALA N N 15 116.091 0.30 . 1 . 846 . . 84 ALA N . 18636 1 998 . 1 1 85 85 HIS H H 1 8.809 0.02 . 1 . 851 . . 85 HIS H . 18636 1 999 . 1 1 85 85 HIS HA H 1 5.634 0.02 . 1 . 852 . . 85 HIS HA . 18636 1 1000 . 1 1 85 85 HIS HB2 H 1 3.270 0.02 . 2 . 853 . . 85 HIS HB2 . 18636 1 1001 . 1 1 85 85 HIS HB3 H 1 3.185 0.02 . 2 . 854 . . 85 HIS HB3 . 18636 1 1002 . 1 1 85 85 HIS HD2 H 1 7.019 0.02 . 1 . 855 . . 85 HIS HD2 . 18636 1 1003 . 1 1 85 85 HIS HE1 H 1 7.295 0.02 . 1 . 856 . . 85 HIS HE1 . 18636 1 1004 . 1 1 85 85 HIS C C 13 173.560 0.30 . 1 . 847 . . 85 HIS C . 18636 1 1005 . 1 1 85 85 HIS CA C 13 54.908 0.30 . 1 . 848 . . 85 HIS CA . 18636 1 1006 . 1 1 85 85 HIS CB C 13 32.958 0.30 . 1 . 849 . . 85 HIS CB . 18636 1 1007 . 1 1 85 85 HIS CD2 C 13 123.963 0.30 . 1 . 850 . . 85 HIS CD2 . 18636 1 1008 . 1 1 85 85 HIS N N 15 114.221 0.30 . 1 . 857 . . 85 HIS N . 18636 1 1009 . 1 1 85 85 HIS NE2 N 15 179.025 0.30 . 1 . 858 . . 85 HIS NE2 . 18636 1 1010 . 1 1 86 86 THR H H 1 8.561 0.02 . 1 . 863 . . 86 THR H . 18636 1 1011 . 1 1 86 86 THR HA H 1 4.350 0.02 . 1 . 864 . . 86 THR HA . 18636 1 1012 . 1 1 86 86 THR HB H 1 4.534 0.02 . 1 . 865 . . 86 THR HB . 18636 1 1013 . 1 1 86 86 THR HG21 H 1 1.109 0.02 . 1 . 866 . . 86 THR HG21 . 18636 1 1014 . 1 1 86 86 THR HG22 H 1 1.109 0.02 . 1 . 866 . . 86 THR HG22 . 18636 1 1015 . 1 1 86 86 THR HG23 H 1 1.109 0.02 . 1 . 866 . . 86 THR HG23 . 18636 1 1016 . 1 1 86 86 THR C C 13 175.705 0.30 . 1 . 859 . . 86 THR C . 18636 1 1017 . 1 1 86 86 THR CA C 13 61.068 0.30 . 1 . 860 . . 86 THR CA . 18636 1 1018 . 1 1 86 86 THR CB C 13 71.096 0.30 . 1 . 861 . . 86 THR CB . 18636 1 1019 . 1 1 86 86 THR CG2 C 13 20.838 0.30 . 1 . 862 . . 86 THR CG2 . 18636 1 1020 . 1 1 86 86 THR N N 15 111.519 0.30 . 1 . 867 . . 86 THR N . 18636 1 1021 . 1 1 87 87 LYS H H 1 8.020 0.02 . 1 . 874 . . 87 LYS H . 18636 1 1022 . 1 1 87 87 LYS HA H 1 4.305 0.02 . 1 . 875 . . 87 LYS HA . 18636 1 1023 . 1 1 87 87 LYS HB2 H 1 1.850 0.02 . 2 . 876 . . 87 LYS HB2 . 18636 1 1024 . 1 1 87 87 LYS HB3 H 1 1.562 0.02 . 2 . 877 . . 87 LYS HB3 . 18636 1 1025 . 1 1 87 87 LYS HG2 H 1 1.458 0.02 . 1 . 1352 . . 87 LYS HG2 . 18636 1 1026 . 1 1 87 87 LYS HG3 H 1 1.458 0.02 . 1 . 878 . . 87 LYS HG3 . 18636 1 1027 . 1 1 87 87 LYS HD2 H 1 1.651 0.02 . 1 . 879 . . 87 LYS HD2 . 18636 1 1028 . 1 1 87 87 LYS HD3 H 1 1.651 0.02 . 1 . 1351 . . 87 LYS HD3 . 18636 1 1029 . 1 1 87 87 LYS HE2 H 1 3.017 0.02 . 2 . 880 . . 87 LYS HE2 . 18636 1 1030 . 1 1 87 87 LYS HE3 H 1 2.861 0.02 . 2 . 881 . . 87 LYS HE3 . 18636 1 1031 . 1 1 87 87 LYS C C 13 176.355 0.30 . 1 . 868 . . 87 LYS C . 18636 1 1032 . 1 1 87 87 LYS CA C 13 55.897 0.30 . 1 . 869 . . 87 LYS CA . 18636 1 1033 . 1 1 87 87 LYS CB C 13 32.404 0.30 . 1 . 870 . . 87 LYS CB . 18636 1 1034 . 1 1 87 87 LYS CG C 13 24.755 0.30 . 1 . 871 . . 87 LYS CG . 18636 1 1035 . 1 1 87 87 LYS CD C 13 28.356 0.30 . 1 . 872 . . 87 LYS CD . 18636 1 1036 . 1 1 87 87 LYS CE C 13 41.976 0.30 . 1 . 873 . . 87 LYS CE . 18636 1 1037 . 1 1 87 87 LYS N N 15 117.632 0.30 . 1 . 882 . . 87 LYS N . 18636 1 1038 . 1 1 88 88 LEU H H 1 8.765 0.02 . 1 . 889 . . 88 LEU H . 18636 1 1039 . 1 1 88 88 LEU HA H 1 4.650 0.02 . 1 . 890 . . 88 LEU HA . 18636 1 1040 . 1 1 88 88 LEU HB2 H 1 1.950 0.02 . 2 . 891 . . 88 LEU HB2 . 18636 1 1041 . 1 1 88 88 LEU HB3 H 1 1.181 0.02 . 2 . 892 . . 88 LEU HB3 . 18636 1 1042 . 1 1 88 88 LEU HG H 1 1.313 0.02 . 1 . 893 . . 88 LEU HG . 18636 1 1043 . 1 1 88 88 LEU HD11 H 1 0.999 0.02 . 2 . 894 . . 88 LEU HD11 . 18636 1 1044 . 1 1 88 88 LEU HD12 H 1 0.999 0.02 . 2 . 894 . . 88 LEU HD12 . 18636 1 1045 . 1 1 88 88 LEU HD13 H 1 0.999 0.02 . 2 . 894 . . 88 LEU HD13 . 18636 1 1046 . 1 1 88 88 LEU HD21 H 1 0.794 0.02 . 2 . 895 . . 88 LEU HD21 . 18636 1 1047 . 1 1 88 88 LEU HD22 H 1 0.794 0.02 . 2 . 895 . . 88 LEU HD22 . 18636 1 1048 . 1 1 88 88 LEU HD23 H 1 0.794 0.02 . 2 . 895 . . 88 LEU HD23 . 18636 1 1049 . 1 1 88 88 LEU C C 13 176.789 0.30 . 1 . 883 . . 88 LEU C . 18636 1 1050 . 1 1 88 88 LEU CA C 13 54.675 0.30 . 1 . 884 . . 88 LEU CA . 18636 1 1051 . 1 1 88 88 LEU CB C 13 43.561 0.30 . 1 . 885 . . 88 LEU CB . 18636 1 1052 . 1 1 88 88 LEU CG C 13 26.930 0.30 . 1 . 886 . . 88 LEU CG . 18636 1 1053 . 1 1 88 88 LEU CD1 C 13 26.591 0.30 . 2 . 887 . . 88 LEU CD1 . 18636 1 1054 . 1 1 88 88 LEU CD2 C 13 25.035 0.30 . 2 . 888 . . 88 LEU CD2 . 18636 1 1055 . 1 1 88 88 LEU N N 15 121.785 0.30 . 1 . 896 . . 88 LEU N . 18636 1 1056 . 1 1 89 89 ILE H H 1 9.513 0.02 . 1 . 903 . . 89 ILE H . 18636 1 1057 . 1 1 89 89 ILE HA H 1 4.619 0.02 . 1 . 904 . . 89 ILE HA . 18636 1 1058 . 1 1 89 89 ILE HB H 1 2.091 0.02 . 1 . 905 . . 89 ILE HB . 18636 1 1059 . 1 1 89 89 ILE HG12 H 1 1.430 0.02 . 1 . 906 . . 89 ILE HG12 . 18636 1 1060 . 1 1 89 89 ILE HG13 H 1 1.430 0.02 . 1 . 1353 . . 89 ILE HG13 . 18636 1 1061 . 1 1 89 89 ILE HG21 H 1 0.652 0.02 . 1 . 907 . . 89 ILE HG21 . 18636 1 1062 . 1 1 89 89 ILE HG22 H 1 0.652 0.02 . 1 . 907 . . 89 ILE HG22 . 18636 1 1063 . 1 1 89 89 ILE HG23 H 1 0.652 0.02 . 1 . 907 . . 89 ILE HG23 . 18636 1 1064 . 1 1 89 89 ILE HD11 H 1 0.601 0.02 . 1 . 908 . . 89 ILE HD11 . 18636 1 1065 . 1 1 89 89 ILE HD12 H 1 0.601 0.02 . 1 . 908 . . 89 ILE HD12 . 18636 1 1066 . 1 1 89 89 ILE HD13 H 1 0.601 0.02 . 1 . 908 . . 89 ILE HD13 . 18636 1 1067 . 1 1 89 89 ILE C C 13 174.433 0.30 . 1 . 897 . . 89 ILE C . 18636 1 1068 . 1 1 89 89 ILE CA C 13 59.838 0.30 . 1 . 898 . . 89 ILE CA . 18636 1 1069 . 1 1 89 89 ILE CB C 13 42.546 0.30 . 1 . 899 . . 89 ILE CB . 18636 1 1070 . 1 1 89 89 ILE CG1 C 13 23.904 0.30 . 1 . 900 . . 89 ILE CG1 . 18636 1 1071 . 1 1 89 89 ILE CG2 C 13 18.927 0.30 . 1 . 901 . . 89 ILE CG2 . 18636 1 1072 . 1 1 89 89 ILE CD1 C 13 15.719 0.30 . 1 . 902 . . 89 ILE CD1 . 18636 1 1073 . 1 1 89 89 ILE N N 15 123.117 0.30 . 1 . 909 . . 89 ILE N . 18636 1 1074 . 1 1 90 90 GLY H H 1 8.575 0.02 . 1 . 912 . . 90 GLY H . 18636 1 1075 . 1 1 90 90 GLY HA2 H 1 4.044 0.02 . 2 . 913 . . 90 GLY HA2 . 18636 1 1076 . 1 1 90 90 GLY HA3 H 1 3.169 0.02 . 2 . 914 . . 90 GLY HA3 . 18636 1 1077 . 1 1 90 90 GLY C C 13 171.587 0.30 . 1 . 910 . . 90 GLY C . 18636 1 1078 . 1 1 90 90 GLY CA C 13 41.353 0.30 . 1 . 911 . . 90 GLY CA . 18636 1 1079 . 1 1 90 90 GLY N N 15 107.590 0.30 . 1 . 915 . . 90 GLY N . 18636 1 1080 . 1 1 91 91 GLY H H 1 7.488 0.02 . 1 . 918 . . 91 GLY H . 18636 1 1081 . 1 1 91 91 GLY HA2 H 1 2.458 0.02 . 2 . 919 . . 91 GLY HA2 . 18636 1 1082 . 1 1 91 91 GLY HA3 H 1 2.271 0.02 . 2 . 920 . . 91 GLY HA3 . 18636 1 1083 . 1 1 91 91 GLY C C 13 175.747 0.30 . 1 . 916 . . 91 GLY C . 18636 1 1084 . 1 1 91 91 GLY CA C 13 47.849 0.30 . 1 . 917 . . 91 GLY CA . 18636 1 1085 . 1 1 91 91 GLY N N 15 102.134 0.30 . 1 . 921 . . 91 GLY N . 18636 1 1086 . 1 1 92 92 GLY H H 1 8.244 0.02 . 1 . 924 . . 92 GLY H . 18636 1 1087 . 1 1 92 92 GLY HA2 H 1 4.078 0.02 . 2 . 925 . . 92 GLY HA2 . 18636 1 1088 . 1 1 92 92 GLY HA3 H 1 3.707 0.02 . 2 . 926 . . 92 GLY HA3 . 18636 1 1089 . 1 1 92 92 GLY C C 13 174.257 0.30 . 1 . 922 . . 92 GLY C . 18636 1 1090 . 1 1 92 92 GLY CA C 13 45.514 0.30 . 1 . 923 . . 92 GLY CA . 18636 1 1091 . 1 1 92 92 GLY N N 15 114.198 0.30 . 1 . 927 . . 92 GLY N . 18636 1 1092 . 1 1 93 93 GLU H H 1 7.869 0.02 . 1 . 932 . . 93 GLU H . 18636 1 1093 . 1 1 93 93 GLU HA H 1 4.594 0.02 . 1 . 933 . . 93 GLU HA . 18636 1 1094 . 1 1 93 93 GLU HB2 H 1 2.582 0.02 . 2 . 934 . . 93 GLU HB2 . 18636 1 1095 . 1 1 93 93 GLU HB3 H 1 1.953 0.02 . 2 . 935 . . 93 GLU HB3 . 18636 1 1096 . 1 1 93 93 GLU HG2 H 1 1.995 0.02 . 1 . 1354 . . 93 GLU HG2 . 18636 1 1097 . 1 1 93 93 GLU HG3 H 1 1.995 0.02 . 1 . 936 . . 93 GLU HG3 . 18636 1 1098 . 1 1 93 93 GLU C C 13 174.417 0.30 . 1 . 928 . . 93 GLU C . 18636 1 1099 . 1 1 93 93 GLU CA C 13 55.062 0.30 . 1 . 929 . . 93 GLU CA . 18636 1 1100 . 1 1 93 93 GLU CB C 13 32.504 0.30 . 1 . 930 . . 93 GLU CB . 18636 1 1101 . 1 1 93 93 GLU CG C 13 37.216 0.30 . 1 . 931 . . 93 GLU CG . 18636 1 1102 . 1 1 93 93 GLU N N 15 119.405 0.30 . 1 . 937 . . 93 GLU N . 18636 1 1103 . 1 1 94 94 GLU H H 1 8.140 0.02 . 1 . 942 . . 94 GLU H . 18636 1 1104 . 1 1 94 94 GLU HA H 1 5.436 0.02 . 1 . 943 . . 94 GLU HA . 18636 1 1105 . 1 1 94 94 GLU HB2 H 1 1.863 0.02 . 2 . 944 . . 94 GLU HB2 . 18636 1 1106 . 1 1 94 94 GLU HB3 H 1 1.757 0.02 . 2 . 945 . . 94 GLU HB3 . 18636 1 1107 . 1 1 94 94 GLU HG2 H 1 2.024 0.02 . 2 . 946 . . 94 GLU HG2 . 18636 1 1108 . 1 1 94 94 GLU HG3 H 1 1.885 0.02 . 2 . 947 . . 94 GLU HG3 . 18636 1 1109 . 1 1 94 94 GLU C C 13 175.259 0.30 . 1 . 938 . . 94 GLU C . 18636 1 1110 . 1 1 94 94 GLU CA C 13 54.548 0.30 . 1 . 939 . . 94 GLU CA . 18636 1 1111 . 1 1 94 94 GLU CB C 13 34.259 0.30 . 1 . 940 . . 94 GLU CB . 18636 1 1112 . 1 1 94 94 GLU CG C 13 35.455 0.30 . 1 . 941 . . 94 GLU CG . 18636 1 1113 . 1 1 94 94 GLU N N 15 115.727 0.30 . 1 . 948 . . 94 GLU N . 18636 1 1114 . 1 1 95 95 SER H H 1 8.991 0.02 . 1 . 952 . . 95 SER H . 18636 1 1115 . 1 1 95 95 SER HA H 1 4.595 0.02 . 1 . 953 . . 95 SER HA . 18636 1 1116 . 1 1 95 95 SER HB2 H 1 3.934 0.02 . 2 . 954 . . 95 SER HB2 . 18636 1 1117 . 1 1 95 95 SER HB3 H 1 3.237 0.02 . 2 . 955 . . 95 SER HB3 . 18636 1 1118 . 1 1 95 95 SER C C 13 172.754 0.30 . 1 . 949 . . 95 SER C . 18636 1 1119 . 1 1 95 95 SER CA C 13 57.595 0.30 . 1 . 950 . . 95 SER CA . 18636 1 1120 . 1 1 95 95 SER CB C 13 64.785 0.30 . 1 . 951 . . 95 SER CB . 18636 1 1121 . 1 1 95 95 SER N N 15 115.168 0.30 . 1 . 956 . . 95 SER N . 18636 1 1122 . 1 1 96 96 SER H H 1 8.230 0.02 . 1 . 960 . . 96 SER H . 18636 1 1123 . 1 1 96 96 SER HA H 1 5.767 0.02 . 1 . 961 . . 96 SER HA . 18636 1 1124 . 1 1 96 96 SER HB2 H 1 3.640 0.02 . 2 . 962 . . 96 SER HB2 . 18636 1 1125 . 1 1 96 96 SER HB3 H 1 3.510 0.02 . 2 . 963 . . 96 SER HB3 . 18636 1 1126 . 1 1 96 96 SER C C 13 172.216 0.30 . 1 . 957 . . 96 SER C . 18636 1 1127 . 1 1 96 96 SER CA C 13 57.132 0.30 . 1 . 958 . . 96 SER CA . 18636 1 1128 . 1 1 96 96 SER CB C 13 66.749 0.30 . 1 . 959 . . 96 SER CB . 18636 1 1129 . 1 1 96 96 SER N N 15 118.826 0.30 . 1 . 964 . . 96 SER N . 18636 1 1130 . 1 1 97 97 LEU H H 1 9.059 0.02 . 1 . 971 . . 97 LEU H . 18636 1 1131 . 1 1 97 97 LEU HA H 1 4.639 0.02 . 1 . 972 . . 97 LEU HA . 18636 1 1132 . 1 1 97 97 LEU HB2 H 1 1.458 0.02 . 2 . 973 . . 97 LEU HB2 . 18636 1 1133 . 1 1 97 97 LEU HB3 H 1 1.260 0.02 . 2 . 974 . . 97 LEU HB3 . 18636 1 1134 . 1 1 97 97 LEU HG H 1 1.685 0.02 . 1 . 975 . . 97 LEU HG . 18636 1 1135 . 1 1 97 97 LEU HD11 H 1 0.518 0.02 . 2 . 976 . . 97 LEU HD11 . 18636 1 1136 . 1 1 97 97 LEU HD12 H 1 0.518 0.02 . 2 . 976 . . 97 LEU HD12 . 18636 1 1137 . 1 1 97 97 LEU HD13 H 1 0.518 0.02 . 2 . 976 . . 97 LEU HD13 . 18636 1 1138 . 1 1 97 97 LEU HD21 H 1 0.535 0.02 . 2 . 977 . . 97 LEU HD21 . 18636 1 1139 . 1 1 97 97 LEU HD22 H 1 0.535 0.02 . 2 . 977 . . 97 LEU HD22 . 18636 1 1140 . 1 1 97 97 LEU HD23 H 1 0.535 0.02 . 2 . 977 . . 97 LEU HD23 . 18636 1 1141 . 1 1 97 97 LEU C C 13 174.642 0.30 . 1 . 965 . . 97 LEU C . 18636 1 1142 . 1 1 97 97 LEU CA C 13 53.163 0.30 . 1 . 966 . . 97 LEU CA . 18636 1 1143 . 1 1 97 97 LEU CB C 13 44.700 0.30 . 1 . 967 . . 97 LEU CB . 18636 1 1144 . 1 1 97 97 LEU CG C 13 24.384 0.30 . 1 . 968 . . 97 LEU CG . 18636 1 1145 . 1 1 97 97 LEU CD1 C 13 24.739 0.30 . 2 . 969 . . 97 LEU CD1 . 18636 1 1146 . 1 1 97 97 LEU CD2 C 13 27.474 0.30 . 2 . 970 . . 97 LEU CD2 . 18636 1 1147 . 1 1 97 97 LEU N N 15 119.180 0.30 . 1 . 978 . . 97 LEU N . 18636 1 1148 . 1 1 98 98 THR H H 1 8.319 0.02 . 1 . 983 . . 98 THR H . 18636 1 1149 . 1 1 98 98 THR HA H 1 5.021 0.02 . 1 . 984 . . 98 THR HA . 18636 1 1150 . 1 1 98 98 THR HB H 1 3.661 0.02 . 1 . 985 . . 98 THR HB . 18636 1 1151 . 1 1 98 98 THR HG21 H 1 0.940 0.02 . 1 . 986 . . 98 THR HG21 . 18636 1 1152 . 1 1 98 98 THR HG22 H 1 0.940 0.02 . 1 . 986 . . 98 THR HG22 . 18636 1 1153 . 1 1 98 98 THR HG23 H 1 0.940 0.02 . 1 . 986 . . 98 THR HG23 . 18636 1 1154 . 1 1 98 98 THR C C 13 172.493 0.30 . 1 . 979 . . 98 THR C . 18636 1 1155 . 1 1 98 98 THR CA C 13 60.843 0.30 . 1 . 980 . . 98 THR CA . 18636 1 1156 . 1 1 98 98 THR CB C 13 71.525 0.30 . 1 . 981 . . 98 THR CB . 18636 1 1157 . 1 1 98 98 THR CG2 C 13 21.898 0.30 . 1 . 982 . . 98 THR CG2 . 18636 1 1158 . 1 1 98 98 THR N N 15 115.689 0.30 . 1 . 987 . . 98 THR N . 18636 1 1159 . 1 1 99 99 LEU H H 1 8.950 0.02 . 1 . 994 . . 99 LEU H . 18636 1 1160 . 1 1 99 99 LEU HA H 1 4.639 0.02 . 1 . 995 . . 99 LEU HA . 18636 1 1161 . 1 1 99 99 LEU HB2 H 1 1.303 0.02 . 2 . 996 . . 99 LEU HB2 . 18636 1 1162 . 1 1 99 99 LEU HB3 H 1 1.194 0.02 . 2 . 997 . . 99 LEU HB3 . 18636 1 1163 . 1 1 99 99 LEU HG H 1 1.296 0.02 . 1 . 998 . . 99 LEU HG . 18636 1 1164 . 1 1 99 99 LEU HD11 H 1 0.422 0.02 . 2 . 999 . . 99 LEU HD11 . 18636 1 1165 . 1 1 99 99 LEU HD12 H 1 0.422 0.02 . 2 . 999 . . 99 LEU HD12 . 18636 1 1166 . 1 1 99 99 LEU HD13 H 1 0.422 0.02 . 2 . 999 . . 99 LEU HD13 . 18636 1 1167 . 1 1 99 99 LEU HD21 H 1 0.368 0.02 . 2 . 1000 . . 99 LEU HD21 . 18636 1 1168 . 1 1 99 99 LEU HD22 H 1 0.368 0.02 . 2 . 1000 . . 99 LEU HD22 . 18636 1 1169 . 1 1 99 99 LEU HD23 H 1 0.368 0.02 . 2 . 1000 . . 99 LEU HD23 . 18636 1 1170 . 1 1 99 99 LEU C C 13 174.009 0.30 . 1 . 988 . . 99 LEU C . 18636 1 1171 . 1 1 99 99 LEU CA C 13 52.950 0.30 . 1 . 989 . . 99 LEU CA . 18636 1 1172 . 1 1 99 99 LEU CB C 13 45.276 0.30 . 1 . 990 . . 99 LEU CB . 18636 1 1173 . 1 1 99 99 LEU CG C 13 27.101 0.30 . 1 . 991 . . 99 LEU CG . 18636 1 1174 . 1 1 99 99 LEU CD1 C 13 25.647 0.30 . 2 . 992 . . 99 LEU CD1 . 18636 1 1175 . 1 1 99 99 LEU CD2 C 13 24.522 0.30 . 2 . 993 . . 99 LEU CD2 . 18636 1 1176 . 1 1 99 99 LEU N N 15 121.962 0.30 . 1 . 1001 . . 99 LEU N . 18636 1 1177 . 1 1 100 100 ASP H H 1 8.027 0.02 . 1 . 1005 . . 100 ASP H . 18636 1 1178 . 1 1 100 100 ASP HA H 1 4.930 0.02 . 1 . 1006 . . 100 ASP HA . 18636 1 1179 . 1 1 100 100 ASP HB2 H 1 2.702 0.02 . 2 . 1007 . . 100 ASP HB2 . 18636 1 1180 . 1 1 100 100 ASP HB3 H 1 2.564 0.02 . 2 . 1008 . . 100 ASP HB3 . 18636 1 1181 . 1 1 100 100 ASP C C 13 175.574 0.30 . 1 . 1002 . . 100 ASP C . 18636 1 1182 . 1 1 100 100 ASP CA C 13 49.743 0.30 . 1 . 1003 . . 100 ASP CA . 18636 1 1183 . 1 1 100 100 ASP CB C 13 42.015 0.30 . 1 . 1004 . . 100 ASP CB . 18636 1 1184 . 1 1 100 100 ASP N N 15 122.255 0.30 . 1 . 1009 . . 100 ASP N . 18636 1 1185 . 1 1 101 101 PRO HA H 1 3.437 0.02 . 1 . 1015 . . 101 PRO HA . 18636 1 1186 . 1 1 101 101 PRO HB2 H 1 1.760 0.02 . 2 . 1016 . . 101 PRO HB2 . 18636 1 1187 . 1 1 101 101 PRO HB3 H 1 1.658 0.02 . 2 . 1017 . . 101 PRO HB3 . 18636 1 1188 . 1 1 101 101 PRO HG2 H 1 2.175 0.02 . 2 . 1018 . . 101 PRO HG2 . 18636 1 1189 . 1 1 101 101 PRO HG3 H 1 1.102 0.02 . 2 . 1019 . . 101 PRO HG3 . 18636 1 1190 . 1 1 101 101 PRO HD2 H 1 3.597 0.02 . 1 . 1020 . . 101 PRO HD2 . 18636 1 1191 . 1 1 101 101 PRO HD3 H 1 3.597 0.02 . 1 . 1355 . . 101 PRO HD3 . 18636 1 1192 . 1 1 101 101 PRO C C 13 177.311 0.30 . 1 . 1010 . . 101 PRO C . 18636 1 1193 . 1 1 101 101 PRO CA C 13 64.600 0.30 . 1 . 1011 . . 101 PRO CA . 18636 1 1194 . 1 1 101 101 PRO CB C 13 32.550 0.30 . 1 . 1012 . . 101 PRO CB . 18636 1 1195 . 1 1 101 101 PRO CG C 13 27.770 0.30 . 1 . 1013 . . 101 PRO CG . 18636 1 1196 . 1 1 101 101 PRO CD C 13 51.025 0.30 . 1 . 1014 . . 101 PRO CD . 18636 1 1197 . 1 1 102 102 ALA H H 1 8.119 0.02 . 1 . 1024 . . 102 ALA H . 18636 1 1198 . 1 1 102 102 ALA HA H 1 3.906 0.02 . 1 . 1025 . . 102 ALA HA . 18636 1 1199 . 1 1 102 102 ALA HB1 H 1 1.253 0.02 . 1 . 1026 . . 102 ALA HB1 . 18636 1 1200 . 1 1 102 102 ALA HB2 H 1 1.253 0.02 . 1 . 1026 . . 102 ALA HB2 . 18636 1 1201 . 1 1 102 102 ALA HB3 H 1 1.253 0.02 . 1 . 1026 . . 102 ALA HB3 . 18636 1 1202 . 1 1 102 102 ALA C C 13 180.726 0.30 . 1 . 1021 . . 102 ALA C . 18636 1 1203 . 1 1 102 102 ALA CA C 13 54.362 0.30 . 1 . 1022 . . 102 ALA CA . 18636 1 1204 . 1 1 102 102 ALA CB C 13 17.987 0.30 . 1 . 1023 . . 102 ALA CB . 18636 1 1205 . 1 1 102 102 ALA N N 15 117.945 0.30 . 1 . 1027 . . 102 ALA N . 18636 1 1206 . 1 1 103 103 LYS H H 1 7.952 0.02 . 1 . 1034 . . 103 LYS H . 18636 1 1207 . 1 1 103 103 LYS HA H 1 3.965 0.02 . 1 . 1035 . . 103 LYS HA . 18636 1 1208 . 1 1 103 103 LYS HB2 H 1 1.697 0.02 . 1 . 1356 . . 103 LYS HB2 . 18636 1 1209 . 1 1 103 103 LYS HB3 H 1 1.697 0.02 . 1 . 1036 . . 103 LYS HB3 . 18636 1 1210 . 1 1 103 103 LYS HG2 H 1 1.467 0.02 . 2 . 1037 . . 103 LYS HG2 . 18636 1 1211 . 1 1 103 103 LYS HG3 H 1 1.334 0.02 . 2 . 1038 . . 103 LYS HG3 . 18636 1 1212 . 1 1 103 103 LYS HD2 H 1 1.605 0.02 . 1 . 1357 . . 103 LYS HD2 . 18636 1 1213 . 1 1 103 103 LYS HD3 H 1 1.605 0.02 . 1 . 1039 . . 103 LYS HD3 . 18636 1 1214 . 1 1 103 103 LYS HE2 H 1 2.941 0.02 . 1 . 1358 . . 103 LYS HE2 . 18636 1 1215 . 1 1 103 103 LYS HE3 H 1 2.941 0.02 . 1 . 1040 . . 103 LYS HE3 . 18636 1 1216 . 1 1 103 103 LYS C C 13 176.222 0.30 . 1 . 1028 . . 103 LYS C . 18636 1 1217 . 1 1 103 103 LYS CA C 13 56.618 0.30 . 1 . 1029 . . 103 LYS CA . 18636 1 1218 . 1 1 103 103 LYS CB C 13 31.837 0.30 . 1 . 1030 . . 103 LYS CB . 18636 1 1219 . 1 1 103 103 LYS CG C 13 25.513 0.30 . 1 . 1031 . . 103 LYS CG . 18636 1 1220 . 1 1 103 103 LYS CD C 13 28.518 0.30 . 1 . 1032 . . 103 LYS CD . 18636 1 1221 . 1 1 103 103 LYS CE C 13 42.040 0.30 . 1 . 1033 . . 103 LYS CE . 18636 1 1222 . 1 1 103 103 LYS N N 15 115.654 0.30 . 1 . 1041 . . 103 LYS N . 18636 1 1223 . 1 1 104 104 LEU H H 1 7.152 0.02 . 1 . 1048 . . 104 LEU H . 18636 1 1224 . 1 1 104 104 LEU HA H 1 3.888 0.02 . 1 . 1049 . . 104 LEU HA . 18636 1 1225 . 1 1 104 104 LEU HB2 H 1 1.454 0.02 . 2 . 1050 . . 104 LEU HB2 . 18636 1 1226 . 1 1 104 104 LEU HB3 H 1 1.186 0.02 . 2 . 1051 . . 104 LEU HB3 . 18636 1 1227 . 1 1 104 104 LEU HG H 1 0.933 0.02 . 1 . 1052 . . 104 LEU HG . 18636 1 1228 . 1 1 104 104 LEU HD11 H 1 0.294 0.02 . 2 . 1053 . . 104 LEU HD11 . 18636 1 1229 . 1 1 104 104 LEU HD12 H 1 0.294 0.02 . 2 . 1053 . . 104 LEU HD12 . 18636 1 1230 . 1 1 104 104 LEU HD13 H 1 0.294 0.02 . 2 . 1053 . . 104 LEU HD13 . 18636 1 1231 . 1 1 104 104 LEU HD21 H 1 -0.251 0.02 . 2 . 1054 . . 104 LEU HD21 . 18636 1 1232 . 1 1 104 104 LEU HD22 H 1 -0.251 0.02 . 2 . 1054 . . 104 LEU HD22 . 18636 1 1233 . 1 1 104 104 LEU HD23 H 1 -0.251 0.02 . 2 . 1054 . . 104 LEU HD23 . 18636 1 1234 . 1 1 104 104 LEU C C 13 176.167 0.30 . 1 . 1042 . . 104 LEU C . 18636 1 1235 . 1 1 104 104 LEU CA C 13 53.118 0.30 . 1 . 1043 . . 104 LEU CA . 18636 1 1236 . 1 1 104 104 LEU CB C 13 40.669 0.30 . 1 . 1044 . . 104 LEU CB . 18636 1 1237 . 1 1 104 104 LEU CG C 13 26.179 0.30 . 1 . 1045 . . 104 LEU CG . 18636 1 1238 . 1 1 104 104 LEU CD1 C 13 25.929 0.30 . 2 . 1046 . . 104 LEU CD1 . 18636 1 1239 . 1 1 104 104 LEU CD2 C 13 21.555 0.30 . 2 . 1047 . . 104 LEU CD2 . 18636 1 1240 . 1 1 104 104 LEU N N 15 115.210 0.30 . 1 . 1055 . . 104 LEU N . 18636 1 1241 . 1 1 105 105 ALA H H 1 6.849 0.02 . 1 . 1059 . . 105 ALA H . 18636 1 1242 . 1 1 105 105 ALA HA H 1 3.981 0.02 . 1 . 1060 . . 105 ALA HA . 18636 1 1243 . 1 1 105 105 ALA HB1 H 1 1.173 0.02 . 1 . 1061 . . 105 ALA HB1 . 18636 1 1244 . 1 1 105 105 ALA HB2 H 1 1.173 0.02 . 1 . 1061 . . 105 ALA HB2 . 18636 1 1245 . 1 1 105 105 ALA HB3 H 1 1.173 0.02 . 1 . 1061 . . 105 ALA HB3 . 18636 1 1246 . 1 1 105 105 ALA C C 13 177.539 0.30 . 1 . 1056 . . 105 ALA C . 18636 1 1247 . 1 1 105 105 ALA CA C 13 53.726 0.30 . 1 . 1057 . . 105 ALA CA . 18636 1 1248 . 1 1 105 105 ALA CB C 13 19.236 0.30 . 1 . 1058 . . 105 ALA CB . 18636 1 1249 . 1 1 105 105 ALA N N 15 119.320 0.30 . 1 . 1062 . . 105 ALA N . 18636 1 1250 . 1 1 106 106 ASP H H 1 8.270 0.02 . 1 . 1066 . . 106 ASP H . 18636 1 1251 . 1 1 106 106 ASP HA H 1 4.572 0.02 . 1 . 1067 . . 106 ASP HA . 18636 1 1252 . 1 1 106 106 ASP HB2 H 1 2.664 0.02 . 2 . 1068 . . 106 ASP HB2 . 18636 1 1253 . 1 1 106 106 ASP HB3 H 1 2.548 0.02 . 2 . 1069 . . 106 ASP HB3 . 18636 1 1254 . 1 1 106 106 ASP C C 13 175.486 0.30 . 1 . 1063 . . 106 ASP C . 18636 1 1255 . 1 1 106 106 ASP CA C 13 53.820 0.30 . 1 . 1064 . . 106 ASP CA . 18636 1 1256 . 1 1 106 106 ASP CB C 13 40.621 0.30 . 1 . 1065 . . 106 ASP CB . 18636 1 1257 . 1 1 106 106 ASP N N 15 116.571 0.30 . 1 . 1070 . . 106 ASP N . 18636 1 1258 . 1 1 107 107 GLY H H 1 7.511 0.02 . 1 . 1073 . . 107 GLY H . 18636 1 1259 . 1 1 107 107 GLY HA2 H 1 3.881 0.02 . 2 . 1074 . . 107 GLY HA2 . 18636 1 1260 . 1 1 107 107 GLY HA3 H 1 3.645 0.02 . 2 . 1075 . . 107 GLY HA3 . 18636 1 1261 . 1 1 107 107 GLY C C 13 174.767 0.30 . 1 . 1071 . . 107 GLY C . 18636 1 1262 . 1 1 107 107 GLY CA C 13 44.986 0.30 . 1 . 1072 . . 107 GLY CA . 18636 1 1263 . 1 1 107 107 GLY N N 15 106.997 0.30 . 1 . 1076 . . 107 GLY N . 18636 1 1264 . 1 1 108 108 ASP H H 1 8.397 0.02 . 1 . 1080 . . 108 ASP H . 18636 1 1265 . 1 1 108 108 ASP HA H 1 4.883 0.02 . 1 . 1081 . . 108 ASP HA . 18636 1 1266 . 1 1 108 108 ASP HB2 H 1 2.619 0.02 . 2 . 1082 . . 108 ASP HB2 . 18636 1 1267 . 1 1 108 108 ASP HB3 H 1 2.390 0.02 . 2 . 1083 . . 108 ASP HB3 . 18636 1 1268 . 1 1 108 108 ASP C C 13 175.259 0.30 . 1 . 1077 . . 108 ASP C . 18636 1 1269 . 1 1 108 108 ASP CA C 13 52.979 0.30 . 1 . 1078 . . 108 ASP CA . 18636 1 1270 . 1 1 108 108 ASP CB C 13 41.220 0.30 . 1 . 1079 . . 108 ASP CB . 18636 1 1271 . 1 1 108 108 ASP N N 15 120.150 0.30 . 1 . 1084 . . 108 ASP N . 18636 1 1272 . 1 1 109 109 TYR H H 1 9.527 0.02 . 1 . 1090 . . 109 TYR H . 18636 1 1273 . 1 1 109 109 TYR HA H 1 4.422 0.02 . 1 . 1091 . . 109 TYR HA . 18636 1 1274 . 1 1 109 109 TYR HB2 H 1 2.859 0.02 . 2 . 1092 . . 109 TYR HB2 . 18636 1 1275 . 1 1 109 109 TYR HB3 H 1 2.373 0.02 . 2 . 1093 . . 109 TYR HB3 . 18636 1 1276 . 1 1 109 109 TYR HD1 H 1 6.706 0.02 . 3 . 1094 . . 109 TYR HD1 . 18636 1 1277 . 1 1 109 109 TYR HD2 H 1 6.706 0.02 . 3 . 1094 . . 109 TYR HD2 . 18636 1 1278 . 1 1 109 109 TYR HE1 H 1 6.431 0.02 . 3 . 1095 . . 109 TYR HE1 . 18636 1 1279 . 1 1 109 109 TYR HE2 H 1 6.431 0.02 . 3 . 1095 . . 109 TYR HE2 . 18636 1 1280 . 1 1 109 109 TYR C C 13 175.271 0.30 . 1 . 1085 . . 109 TYR C . 18636 1 1281 . 1 1 109 109 TYR CA C 13 59.711 0.30 . 1 . 1086 . . 109 TYR CA . 18636 1 1282 . 1 1 109 109 TYR CB C 13 40.715 0.30 . 1 . 1087 . . 109 TYR CB . 18636 1 1283 . 1 1 109 109 TYR CD1 C 13 132.376 0.30 . 3 . 1088 . . 109 TYR CD1 . 18636 1 1284 . 1 1 109 109 TYR CD2 C 13 132.376 0.30 . 3 . 1088 . . 109 TYR CD2 . 18636 1 1285 . 1 1 109 109 TYR CE1 C 13 114.135 0.30 . 3 . 1089 . . 109 TYR CE1 . 18636 1 1286 . 1 1 109 109 TYR CE2 C 13 114.135 0.30 . 3 . 1089 . . 109 TYR CE2 . 18636 1 1287 . 1 1 109 109 TYR N N 15 122.445 0.30 . 1 . 1096 . . 109 TYR N . 18636 1 1288 . 1 1 110 110 LYS H H 1 8.956 0.02 . 1 . 1103 . . 110 LYS H . 18636 1 1289 . 1 1 110 110 LYS HA H 1 5.019 0.02 . 1 . 1104 . . 110 LYS HA . 18636 1 1290 . 1 1 110 110 LYS HB2 H 1 1.917 0.02 . 2 . 1105 . . 110 LYS HB2 . 18636 1 1291 . 1 1 110 110 LYS HB3 H 1 1.292 0.02 . 2 . 1106 . . 110 LYS HB3 . 18636 1 1292 . 1 1 110 110 LYS HG2 H 1 1.361 0.02 . 2 . 1107 . . 110 LYS HG2 . 18636 1 1293 . 1 1 110 110 LYS HG3 H 1 1.217 0.02 . 2 . 1108 . . 110 LYS HG3 . 18636 1 1294 . 1 1 110 110 LYS HD2 H 1 1.574 0.02 . 2 . 1109 . . 110 LYS HD2 . 18636 1 1295 . 1 1 110 110 LYS HD3 H 1 1.382 0.02 . 2 . 1110 . . 110 LYS HD3 . 18636 1 1296 . 1 1 110 110 LYS HE2 H 1 2.709 0.02 . 1 . 1359 . . 110 LYS HE2 . 18636 1 1297 . 1 1 110 110 LYS HE3 H 1 2.709 0.02 . 1 . 1111 . . 110 LYS HE3 . 18636 1 1298 . 1 1 110 110 LYS C C 13 173.864 0.30 . 1 . 1097 . . 110 LYS C . 18636 1 1299 . 1 1 110 110 LYS CA C 13 54.202 0.30 . 1 . 1098 . . 110 LYS CA . 18636 1 1300 . 1 1 110 110 LYS CB C 13 37.522 0.30 . 1 . 1099 . . 110 LYS CB . 18636 1 1301 . 1 1 110 110 LYS CG C 13 25.737 0.30 . 1 . 1100 . . 110 LYS CG . 18636 1 1302 . 1 1 110 110 LYS CD C 13 28.782 0.30 . 1 . 1101 . . 110 LYS CD . 18636 1 1303 . 1 1 110 110 LYS CE C 13 41.938 0.30 . 1 . 1102 . . 110 LYS CE . 18636 1 1304 . 1 1 110 110 LYS N N 15 121.409 0.30 . 1 . 1112 . . 110 LYS N . 18636 1 1305 . 1 1 111 111 PHE H H 1 8.009 0.02 . 1 . 1117 . . 111 PHE H . 18636 1 1306 . 1 1 111 111 PHE HA H 1 6.153 0.02 . 1 . 1118 . . 111 PHE HA . 18636 1 1307 . 1 1 111 111 PHE HB2 H 1 2.512 0.02 . 2 . 1119 . . 111 PHE HB2 . 18636 1 1308 . 1 1 111 111 PHE HB3 H 1 2.235 0.02 . 2 . 1120 . . 111 PHE HB3 . 18636 1 1309 . 1 1 111 111 PHE HD1 H 1 6.297 0.02 . 3 . 1121 . . 111 PHE HD1 . 18636 1 1310 . 1 1 111 111 PHE HD2 H 1 6.297 0.02 . 3 . 1121 . . 111 PHE HD2 . 18636 1 1311 . 1 1 111 111 PHE HE1 H 1 6.558 0.02 . 3 . 1122 . . 111 PHE HE1 . 18636 1 1312 . 1 1 111 111 PHE HE2 H 1 6.558 0.02 . 3 . 1122 . . 111 PHE HE2 . 18636 1 1313 . 1 1 111 111 PHE C C 13 174.177 0.30 . 1 . 1113 . . 111 PHE C . 18636 1 1314 . 1 1 111 111 PHE CA C 13 54.058 0.30 . 1 . 1114 . . 111 PHE CA . 18636 1 1315 . 1 1 111 111 PHE CB C 13 42.831 0.30 . 1 . 1115 . . 111 PHE CB . 18636 1 1316 . 1 1 111 111 PHE CD1 C 13 131.495 0.30 . 3 . 1116 . . 111 PHE CD1 . 18636 1 1317 . 1 1 111 111 PHE CD2 C 13 131.495 0.30 . 3 . 1116 . . 111 PHE CD2 . 18636 1 1318 . 1 1 111 111 PHE N N 15 114.402 0.30 . 1 . 1123 . . 111 PHE N . 18636 1 1319 . 1 1 112 112 ALA H H 1 8.824 0.02 . 1 . 1127 . . 112 ALA H . 18636 1 1320 . 1 1 112 112 ALA HA H 1 5.148 0.02 . 1 . 1128 . . 112 ALA HA . 18636 1 1321 . 1 1 112 112 ALA HB1 H 1 1.653 0.02 . 1 . 1129 . . 112 ALA HB1 . 18636 1 1322 . 1 1 112 112 ALA HB2 H 1 1.653 0.02 . 1 . 1129 . . 112 ALA HB2 . 18636 1 1323 . 1 1 112 112 ALA HB3 H 1 1.653 0.02 . 1 . 1129 . . 112 ALA HB3 . 18636 1 1324 . 1 1 112 112 ALA C C 13 174.307 0.30 . 1 . 1124 . . 112 ALA C . 18636 1 1325 . 1 1 112 112 ALA CA C 13 52.293 0.30 . 1 . 1125 . . 112 ALA CA . 18636 1 1326 . 1 1 112 112 ALA CB C 13 23.483 0.30 . 1 . 1126 . . 112 ALA CB . 18636 1 1327 . 1 1 112 112 ALA N N 15 119.790 0.30 . 1 . 1130 . . 112 ALA N . 18636 1 1328 . 1 1 113 113 CYS H H 1 7.318 0.02 . 1 . 1134 . . 113 CYS H . 18636 1 1329 . 1 1 113 113 CYS HA H 1 5.597 0.02 . 1 . 1135 . . 113 CYS HA . 18636 1 1330 . 1 1 113 113 CYS HB2 H 1 3.250 0.02 . 2 . 1136 . . 113 CYS HB2 . 18636 1 1331 . 1 1 113 113 CYS HB3 H 1 2.727 0.02 . 2 . 1137 . . 113 CYS HB3 . 18636 1 1332 . 1 1 113 113 CYS C C 13 179.542 0.30 . 1 . 1131 . . 113 CYS C . 18636 1 1333 . 1 1 113 113 CYS CA C 13 57.915 0.30 . 1 . 1132 . . 113 CYS CA . 18636 1 1334 . 1 1 113 113 CYS CB C 13 33.498 0.30 . 1 . 1133 . . 113 CYS CB . 18636 1 1335 . 1 1 113 113 CYS N N 15 122.544 0.30 . 1 . 1138 . . 113 CYS N . 18636 1 1336 . 1 1 114 114 THR H H 1 10.093 0.02 . 1 . 1143 . . 114 THR H . 18636 1 1337 . 1 1 114 114 THR HA H 1 4.399 0.02 . 1 . 1144 . . 114 THR HA . 18636 1 1338 . 1 1 114 114 THR HB H 1 4.766 0.02 . 1 . 1145 . . 114 THR HB . 18636 1 1339 . 1 1 114 114 THR HG21 H 1 1.088 0.02 . 1 . 1146 . . 114 THR HG21 . 18636 1 1340 . 1 1 114 114 THR HG22 H 1 1.088 0.02 . 1 . 1146 . . 114 THR HG22 . 18636 1 1341 . 1 1 114 114 THR HG23 H 1 1.088 0.02 . 1 . 1146 . . 114 THR HG23 . 18636 1 1342 . 1 1 114 114 THR C C 13 174.038 0.30 . 1 . 1139 . . 114 THR C . 18636 1 1343 . 1 1 114 114 THR CA C 13 61.858 0.30 . 1 . 1140 . . 114 THR CA . 18636 1 1344 . 1 1 114 114 THR CB C 13 68.062 0.30 . 1 . 1141 . . 114 THR CB . 18636 1 1345 . 1 1 114 114 THR CG2 C 13 23.304 0.30 . 1 . 1142 . . 114 THR CG2 . 18636 1 1346 . 1 1 114 114 THR N N 15 119.387 0.30 . 1 . 1147 . . 114 THR N . 18636 1 1347 . 1 1 115 115 PHE H H 1 10.147 0.02 . 1 . 1152 . . 115 PHE H . 18636 1 1348 . 1 1 115 115 PHE HA H 1 3.238 0.02 . 1 . 1153 . . 115 PHE HA . 18636 1 1349 . 1 1 115 115 PHE HB2 H 1 2.603 0.02 . 2 . 1154 . . 115 PHE HB2 . 18636 1 1350 . 1 1 115 115 PHE HB3 H 1 2.119 0.02 . 2 . 1155 . . 115 PHE HB3 . 18636 1 1351 . 1 1 115 115 PHE HD1 H 1 5.989 0.02 . 3 . 1156 . . 115 PHE HD1 . 18636 1 1352 . 1 1 115 115 PHE HD2 H 1 5.989 0.02 . 3 . 1156 . . 115 PHE HD2 . 18636 1 1353 . 1 1 115 115 PHE HE1 H 1 7.219 0.02 . 3 . 1157 . . 115 PHE HE1 . 18636 1 1354 . 1 1 115 115 PHE HE2 H 1 7.219 0.02 . 3 . 1157 . . 115 PHE HE2 . 18636 1 1355 . 1 1 115 115 PHE C C 13 176.438 0.30 . 1 . 1148 . . 115 PHE C . 18636 1 1356 . 1 1 115 115 PHE CA C 13 57.496 0.30 . 1 . 1149 . . 115 PHE CA . 18636 1 1357 . 1 1 115 115 PHE CB C 13 39.220 0.30 . 1 . 1150 . . 115 PHE CB . 18636 1 1358 . 1 1 115 115 PHE CD1 C 13 132.724 0.30 . 3 . 1151 . . 115 PHE CD1 . 18636 1 1359 . 1 1 115 115 PHE CD2 C 13 132.724 0.30 . 3 . 1151 . . 115 PHE CD2 . 18636 1 1360 . 1 1 115 115 PHE N N 15 133.977 0.30 . 1 . 1158 . . 115 PHE N . 18636 1 1361 . 1 1 116 116 PRO HA H 1 3.638 0.02 . 1 . 1164 . . 116 PRO HA . 18636 1 1362 . 1 1 116 116 PRO HB2 H 1 1.762 0.02 . 2 . 1165 . . 116 PRO HB2 . 18636 1 1363 . 1 1 116 116 PRO HB3 H 1 1.355 0.02 . 2 . 1166 . . 116 PRO HB3 . 18636 1 1364 . 1 1 116 116 PRO HG2 H 1 1.331 0.02 . 1 . 1360 . . 116 PRO HG2 . 18636 1 1365 . 1 1 116 116 PRO HG3 H 1 1.331 0.02 . 1 . 1167 . . 116 PRO HG3 . 18636 1 1366 . 1 1 116 116 PRO HD2 H 1 1.865 0.02 . 2 . 1168 . . 116 PRO HD2 . 18636 1 1367 . 1 1 116 116 PRO HD3 H 1 0.636 0.02 . 2 . 1169 . . 116 PRO HD3 . 18636 1 1368 . 1 1 116 116 PRO C C 13 176.130 0.30 . 1 . 1159 . . 116 PRO C . 18636 1 1369 . 1 1 116 116 PRO CA C 13 64.784 0.30 . 1 . 1160 . . 116 PRO CA . 18636 1 1370 . 1 1 116 116 PRO CB C 13 30.582 0.30 . 1 . 1161 . . 116 PRO CB . 18636 1 1371 . 1 1 116 116 PRO CG C 13 27.488 0.30 . 1 . 1162 . . 116 PRO CG . 18636 1 1372 . 1 1 116 116 PRO CD C 13 48.838 0.30 . 1 . 1163 . . 116 PRO CD . 18636 1 1373 . 1 1 117 117 GLY H H 1 8.182 0.02 . 1 . 1172 . . 117 GLY H . 18636 1 1374 . 1 1 117 117 GLY HA2 H 1 4.203 0.02 . 2 . 1173 . . 117 GLY HA2 . 18636 1 1375 . 1 1 117 117 GLY HA3 H 1 3.484 0.02 . 2 . 1174 . . 117 GLY HA3 . 18636 1 1376 . 1 1 117 117 GLY C C 13 176.502 0.30 . 1 . 1170 . . 117 GLY C . 18636 1 1377 . 1 1 117 117 GLY CA C 13 45.153 0.30 . 1 . 1171 . . 117 GLY CA . 18636 1 1378 . 1 1 117 117 GLY N N 15 111.080 0.30 . 1 . 1175 . . 117 GLY N . 18636 1 1379 . 1 1 118 118 HIS H H 1 8.193 0.02 . 1 . 1180 . . 118 HIS H . 18636 1 1380 . 1 1 118 118 HIS HA H 1 4.648 0.02 . 1 . 1181 . . 118 HIS HA . 18636 1 1381 . 1 1 118 118 HIS HB2 H 1 3.421 0.02 . 2 . 1182 . . 118 HIS HB2 . 18636 1 1382 . 1 1 118 118 HIS HB3 H 1 3.234 0.02 . 2 . 1183 . . 118 HIS HB3 . 18636 1 1383 . 1 1 118 118 HIS HD2 H 1 6.583 0.02 . 1 . 1184 . . 118 HIS HD2 . 18636 1 1384 . 1 1 118 118 HIS HE1 H 1 6.746 0.02 . 1 . 1185 . . 118 HIS HE1 . 18636 1 1385 . 1 1 118 118 HIS HE2 H 1 11.379 0.02 . 1 . 1186 . . 118 HIS HE2 . 18636 1 1386 . 1 1 118 118 HIS C C 13 179.295 0.30 . 1 . 1176 . . 118 HIS C . 18636 1 1387 . 1 1 118 118 HIS CA C 13 57.473 0.30 . 1 . 1177 . . 118 HIS CA . 18636 1 1388 . 1 1 118 118 HIS CB C 13 32.523 0.30 . 1 . 1178 . . 118 HIS CB . 18636 1 1389 . 1 1 118 118 HIS CD2 C 13 114.099 0.30 . 1 . 1179 . . 118 HIS CD2 . 18636 1 1390 . 1 1 118 118 HIS N N 15 121.156 0.30 . 1 . 1187 . . 118 HIS N . 18636 1 1391 . 1 1 118 118 HIS ND1 N 15 233.581 0.30 . 1 . 1188 . . 118 HIS ND1 . 18636 1 1392 . 1 1 118 118 HIS NE2 N 15 161.949 0.30 . 1 . 1189 . . 118 HIS NE2 . 18636 1 1393 . 1 1 119 119 GLY H H 1 9.080 0.02 . 1 . 1192 . . 119 GLY H . 18636 1 1394 . 1 1 119 119 GLY HA2 H 1 3.377 0.02 . 2 . 1193 . . 119 GLY HA2 . 18636 1 1395 . 1 1 119 119 GLY HA3 H 1 3.905 0.02 . 2 . 1194 . . 119 GLY HA3 . 18636 1 1396 . 1 1 119 119 GLY C C 13 174.528 0.30 . 1 . 1190 . . 119 GLY C . 18636 1 1397 . 1 1 119 119 GLY CA C 13 47.565 0.30 . 1 . 1191 . . 119 GLY CA . 18636 1 1398 . 1 1 119 119 GLY N N 15 109.696 0.30 . 1 . 1195 . . 119 GLY N . 18636 1 1399 . 1 1 120 120 ALA H H 1 7.522 0.02 . 1 . 1199 . . 120 ALA H . 18636 1 1400 . 1 1 120 120 ALA HA H 1 3.929 0.02 . 1 . 1200 . . 120 ALA HA . 18636 1 1401 . 1 1 120 120 ALA HB1 H 1 1.225 0.02 . 1 . 1201 . . 120 ALA HB1 . 18636 1 1402 . 1 1 120 120 ALA HB2 H 1 1.225 0.02 . 1 . 1201 . . 120 ALA HB2 . 18636 1 1403 . 1 1 120 120 ALA HB3 H 1 1.225 0.02 . 1 . 1201 . . 120 ALA HB3 . 18636 1 1404 . 1 1 120 120 ALA C C 13 178.438 0.30 . 1 . 1196 . . 120 ALA C . 18636 1 1405 . 1 1 120 120 ALA CA C 13 54.529 0.30 . 1 . 1197 . . 120 ALA CA . 18636 1 1406 . 1 1 120 120 ALA CB C 13 17.608 0.30 . 1 . 1198 . . 120 ALA CB . 18636 1 1407 . 1 1 120 120 ALA N N 15 122.735 0.30 . 1 . 1202 . . 120 ALA N . 18636 1 1408 . 1 1 121 121 LEU H H 1 7.329 0.02 . 1 . 1209 . . 121 LEU H . 18636 1 1409 . 1 1 121 121 LEU HA H 1 4.412 0.02 . 1 . 1210 . . 121 LEU HA . 18636 1 1410 . 1 1 121 121 LEU HB2 H 1 1.714 0.02 . 2 . 1211 . . 121 LEU HB2 . 18636 1 1411 . 1 1 121 121 LEU HB3 H 1 1.615 0.02 . 2 . 1212 . . 121 LEU HB3 . 18636 1 1412 . 1 1 121 121 LEU HG H 1 1.514 0.02 . 1 . 1213 . . 121 LEU HG . 18636 1 1413 . 1 1 121 121 LEU HD11 H 1 0.832 0.02 . 2 . 1214 . . 121 LEU HD11 . 18636 1 1414 . 1 1 121 121 LEU HD12 H 1 0.832 0.02 . 2 . 1214 . . 121 LEU HD12 . 18636 1 1415 . 1 1 121 121 LEU HD13 H 1 0.832 0.02 . 2 . 1214 . . 121 LEU HD13 . 18636 1 1416 . 1 1 121 121 LEU HD21 H 1 0.783 0.02 . 2 . 1215 . . 121 LEU HD21 . 18636 1 1417 . 1 1 121 121 LEU HD22 H 1 0.783 0.02 . 2 . 1215 . . 121 LEU HD22 . 18636 1 1418 . 1 1 121 121 LEU HD23 H 1 0.783 0.02 . 2 . 1215 . . 121 LEU HD23 . 18636 1 1419 . 1 1 121 121 LEU C C 13 178.173 0.30 . 1 . 1203 . . 121 LEU C . 18636 1 1420 . 1 1 121 121 LEU CA C 13 55.241 0.30 . 1 . 1204 . . 121 LEU CA . 18636 1 1421 . 1 1 121 121 LEU CB C 13 44.127 0.30 . 1 . 1205 . . 121 LEU CB . 18636 1 1422 . 1 1 121 121 LEU CG C 13 27.558 0.30 . 1 . 1206 . . 121 LEU CG . 18636 1 1423 . 1 1 121 121 LEU CD1 C 13 25.104 0.30 . 2 . 1207 . . 121 LEU CD1 . 18636 1 1424 . 1 1 121 121 LEU CD2 C 13 23.228 0.30 . 2 . 1208 . . 121 LEU CD2 . 18636 1 1425 . 1 1 121 121 LEU N N 15 115.400 0.30 . 1 . 1216 . . 121 LEU N . 18636 1 1426 . 1 1 122 122 MET H H 1 8.485 0.02 . 1 . 1222 . . 122 MET H . 18636 1 1427 . 1 1 122 122 MET HA H 1 4.264 0.02 . 1 . 1223 . . 122 MET HA . 18636 1 1428 . 1 1 122 122 MET HB2 H 1 1.631 0.02 . 2 . 1224 . . 122 MET HB2 . 18636 1 1429 . 1 1 122 122 MET HB3 H 1 1.387 0.02 . 2 . 1225 . . 122 MET HB3 . 18636 1 1430 . 1 1 122 122 MET HG2 H 1 1.230 0.02 . 1 . 1226 . . 122 MET HG2 . 18636 1 1431 . 1 1 122 122 MET HG3 H 1 1.230 0.02 . 1 . 1361 . . 122 MET HG3 . 18636 1 1432 . 1 1 122 122 MET HE1 H 1 1.811 0.02 . 1 . 1227 . . 122 MET HE1 . 18636 1 1433 . 1 1 122 122 MET HE2 H 1 1.811 0.02 . 1 . 1227 . . 122 MET HE2 . 18636 1 1434 . 1 1 122 122 MET HE3 H 1 1.811 0.02 . 1 . 1227 . . 122 MET HE3 . 18636 1 1435 . 1 1 122 122 MET C C 13 172.882 0.30 . 1 . 1217 . . 122 MET C . 18636 1 1436 . 1 1 122 122 MET CA C 13 54.987 0.30 . 1 . 1218 . . 122 MET CA . 18636 1 1437 . 1 1 122 122 MET CB C 13 32.016 0.30 . 1 . 1219 . . 122 MET CB . 18636 1 1438 . 1 1 122 122 MET CG C 13 33.110 0.30 . 1 . 1220 . . 122 MET CG . 18636 1 1439 . 1 1 122 122 MET CE C 13 16.731 0.30 . 1 . 1221 . . 122 MET CE . 18636 1 1440 . 1 1 122 122 MET N N 15 121.774 0.30 . 1 . 1228 . . 122 MET N . 18636 1 1441 . 1 1 123 123 ASN H H 1 7.244 0.02 . 1 . 1233 . . 123 ASN H . 18636 1 1442 . 1 1 123 123 ASN HA H 1 5.390 0.02 . 1 . 1234 . . 123 ASN HA . 18636 1 1443 . 1 1 123 123 ASN HB2 H 1 3.190 0.02 . 2 . 1235 . . 123 ASN HB2 . 18636 1 1444 . 1 1 123 123 ASN HB3 H 1 2.456 0.02 . 2 . 1236 . . 123 ASN HB3 . 18636 1 1445 . 1 1 123 123 ASN HD21 H 1 7.222 0.02 . 1 . 1237 . . 123 ASN HD21 . 18636 1 1446 . 1 1 123 123 ASN HD22 H 1 6.461 0.02 . 1 . 1238 . . 123 ASN HD22 . 18636 1 1447 . 1 1 123 123 ASN C C 13 173.367 0.30 . 1 . 1229 . . 123 ASN C . 18636 1 1448 . 1 1 123 123 ASN CA C 13 52.772 0.30 . 1 . 1230 . . 123 ASN CA . 18636 1 1449 . 1 1 123 123 ASN CB C 13 42.359 0.30 . 1 . 1231 . . 123 ASN CB . 18636 1 1450 . 1 1 123 123 ASN CG C 13 176.982 0.30 . 1 . 1232 . . 123 ASN CG . 18636 1 1451 . 1 1 123 123 ASN N N 15 114.493 0.30 . 1 . 1239 . . 123 ASN N . 18636 1 1452 . 1 1 123 123 ASN ND2 N 15 115.940 0.30 . 1 . 1240 . . 123 ASN ND2 . 18636 1 1453 . 1 1 124 124 GLY H H 1 7.920 0.02 . 1 . 1243 . . 124 GLY H . 18636 1 1454 . 1 1 124 124 GLY HA2 H 1 3.829 0.02 . 2 . 1244 . . 124 GLY HA2 . 18636 1 1455 . 1 1 124 124 GLY HA3 H 1 3.159 0.02 . 2 . 1245 . . 124 GLY HA3 . 18636 1 1456 . 1 1 124 124 GLY C C 13 171.439 0.30 . 1 . 1241 . . 124 GLY C . 18636 1 1457 . 1 1 124 124 GLY CA C 13 45.802 0.30 . 1 . 1242 . . 124 GLY CA . 18636 1 1458 . 1 1 124 124 GLY N N 15 108.564 0.30 . 1 . 1246 . . 124 GLY N . 18636 1 1459 . 1 1 125 125 LYS H H 1 8.117 0.02 . 1 . 1253 . . 125 LYS H . 18636 1 1460 . 1 1 125 125 LYS HA H 1 4.702 0.02 . 1 . 1254 . . 125 LYS HA . 18636 1 1461 . 1 1 125 125 LYS HB2 H 1 1.778 0.02 . 1 . 1255 . . 125 LYS HB2 . 18636 1 1462 . 1 1 125 125 LYS HB3 H 1 1.778 0.02 . 1 . 1362 . . 125 LYS HB3 . 18636 1 1463 . 1 1 125 125 LYS HG2 H 1 1.443 0.02 . 2 . 1256 . . 125 LYS HG2 . 18636 1 1464 . 1 1 125 125 LYS HG3 H 1 1.372 0.02 . 2 . 1257 . . 125 LYS HG3 . 18636 1 1465 . 1 1 125 125 LYS HD2 H 1 1.558 0.02 . 1 . 1363 . . 125 LYS HD2 . 18636 1 1466 . 1 1 125 125 LYS HD3 H 1 1.558 0.02 . 1 . 1258 . . 125 LYS HD3 . 18636 1 1467 . 1 1 125 125 LYS HE2 H 1 2.858 0.02 . 1 . 1259 . . 125 LYS HE2 . 18636 1 1468 . 1 1 125 125 LYS HE3 H 1 2.858 0.02 . 1 . 1364 . . 125 LYS HE3 . 18636 1 1469 . 1 1 125 125 LYS C C 13 174.477 0.30 . 1 . 1247 . . 125 LYS C . 18636 1 1470 . 1 1 125 125 LYS CA C 13 55.767 0.30 . 1 . 1248 . . 125 LYS CA . 18636 1 1471 . 1 1 125 125 LYS CB C 13 35.323 0.30 . 1 . 1249 . . 125 LYS CB . 18636 1 1472 . 1 1 125 125 LYS CG C 13 24.622 0.30 . 1 . 1250 . . 125 LYS CG . 18636 1 1473 . 1 1 125 125 LYS CD C 13 29.162 0.30 . 1 . 1251 . . 125 LYS CD . 18636 1 1474 . 1 1 125 125 LYS CE C 13 41.745 0.30 . 1 . 1252 . . 125 LYS CE . 18636 1 1475 . 1 1 125 125 LYS N N 15 120.585 0.30 . 1 . 1260 . . 125 LYS N . 18636 1 1476 . 1 1 126 126 VAL H H 1 7.570 0.02 . 1 . 1266 . . 126 VAL H . 18636 1 1477 . 1 1 126 126 VAL HA H 1 4.649 0.02 . 1 . 1267 . . 126 VAL HA . 18636 1 1478 . 1 1 126 126 VAL HB H 1 1.672 0.02 . 1 . 1268 . . 126 VAL HB . 18636 1 1479 . 1 1 126 126 VAL HG11 H 1 0.691 0.02 . 2 . 1269 . . 126 VAL HG11 . 18636 1 1480 . 1 1 126 126 VAL HG12 H 1 0.691 0.02 . 2 . 1269 . . 126 VAL HG12 . 18636 1 1481 . 1 1 126 126 VAL HG13 H 1 0.691 0.02 . 2 . 1269 . . 126 VAL HG13 . 18636 1 1482 . 1 1 126 126 VAL HG21 H 1 0.469 0.02 . 2 . 1270 . . 126 VAL HG21 . 18636 1 1483 . 1 1 126 126 VAL HG22 H 1 0.469 0.02 . 2 . 1270 . . 126 VAL HG22 . 18636 1 1484 . 1 1 126 126 VAL HG23 H 1 0.469 0.02 . 2 . 1270 . . 126 VAL HG23 . 18636 1 1485 . 1 1 126 126 VAL C C 13 174.805 0.30 . 1 . 1261 . . 126 VAL C . 18636 1 1486 . 1 1 126 126 VAL CA C 13 61.207 0.30 . 1 . 1262 . . 126 VAL CA . 18636 1 1487 . 1 1 126 126 VAL CB C 13 32.415 0.30 . 1 . 1263 . . 126 VAL CB . 18636 1 1488 . 1 1 126 126 VAL CG1 C 13 21.830 0.30 . 2 . 1264 . . 126 VAL CG1 . 18636 1 1489 . 1 1 126 126 VAL CG2 C 13 22.209 0.30 . 2 . 1265 . . 126 VAL CG2 . 18636 1 1490 . 1 1 126 126 VAL N N 15 121.123 0.30 . 1 . 1271 . . 126 VAL N . 18636 1 1491 . 1 1 127 127 THR H H 1 8.813 0.02 . 1 . 1276 . . 127 THR H . 18636 1 1492 . 1 1 127 127 THR HA H 1 4.374 0.02 . 1 . 1277 . . 127 THR HA . 18636 1 1493 . 1 1 127 127 THR HB H 1 3.646 0.02 . 1 . 1278 . . 127 THR HB . 18636 1 1494 . 1 1 127 127 THR HG21 H 1 0.999 0.02 . 1 . 1279 . . 127 THR HG21 . 18636 1 1495 . 1 1 127 127 THR HG22 H 1 0.999 0.02 . 1 . 1279 . . 127 THR HG22 . 18636 1 1496 . 1 1 127 127 THR HG23 H 1 0.999 0.02 . 1 . 1279 . . 127 THR HG23 . 18636 1 1497 . 1 1 127 127 THR C C 13 172.986 0.30 . 1 . 1272 . . 127 THR C . 18636 1 1498 . 1 1 127 127 THR CA C 13 61.359 0.30 . 1 . 1273 . . 127 THR CA . 18636 1 1499 . 1 1 127 127 THR CB C 13 70.491 0.30 . 1 . 1274 . . 127 THR CB . 18636 1 1500 . 1 1 127 127 THR CG2 C 13 22.106 0.30 . 1 . 1275 . . 127 THR CG2 . 18636 1 1501 . 1 1 127 127 THR N N 15 124.772 0.30 . 1 . 1280 . . 127 THR N . 18636 1 1502 . 1 1 128 128 LEU H H 1 8.686 0.02 . 1 . 1287 . . 128 LEU H . 18636 1 1503 . 1 1 128 128 LEU HA H 1 4.919 0.02 . 1 . 1288 . . 128 LEU HA . 18636 1 1504 . 1 1 128 128 LEU HB2 H 1 1.443 0.02 . 2 . 1289 . . 128 LEU HB2 . 18636 1 1505 . 1 1 128 128 LEU HB3 H 1 1.286 0.02 . 2 . 1290 . . 128 LEU HB3 . 18636 1 1506 . 1 1 128 128 LEU HG H 1 1.366 0.02 . 1 . 1291 . . 128 LEU HG . 18636 1 1507 . 1 1 128 128 LEU HD11 H 1 0.626 0.02 . 2 . 1292 . . 128 LEU HD11 . 18636 1 1508 . 1 1 128 128 LEU HD12 H 1 0.626 0.02 . 2 . 1292 . . 128 LEU HD12 . 18636 1 1509 . 1 1 128 128 LEU HD13 H 1 0.626 0.02 . 2 . 1292 . . 128 LEU HD13 . 18636 1 1510 . 1 1 128 128 LEU HD21 H 1 0.580 0.02 . 2 . 1293 . . 128 LEU HD21 . 18636 1 1511 . 1 1 128 128 LEU HD22 H 1 0.580 0.02 . 2 . 1293 . . 128 LEU HD22 . 18636 1 1512 . 1 1 128 128 LEU HD23 H 1 0.580 0.02 . 2 . 1293 . . 128 LEU HD23 . 18636 1 1513 . 1 1 128 128 LEU C C 13 176.651 0.30 . 1 . 1281 . . 128 LEU C . 18636 1 1514 . 1 1 128 128 LEU CA C 13 54.003 0.30 . 1 . 1282 . . 128 LEU CA . 18636 1 1515 . 1 1 128 128 LEU CB C 13 42.765 0.30 . 1 . 1283 . . 128 LEU CB . 18636 1 1516 . 1 1 128 128 LEU CG C 13 26.992 0.30 . 1 . 1284 . . 128 LEU CG . 18636 1 1517 . 1 1 128 128 LEU CD1 C 13 24.458 0.30 . 2 . 1285 . . 128 LEU CD1 . 18636 1 1518 . 1 1 128 128 LEU CD2 C 13 24.055 0.30 . 2 . 1286 . . 128 LEU CD2 . 18636 1 1519 . 1 1 128 128 LEU N N 15 127.593 0.30 . 1 . 1294 . . 128 LEU N . 18636 1 1520 . 1 1 129 129 VAL H H 1 8.352 0.02 . 1 . 1300 . . 129 VAL H . 18636 1 1521 . 1 1 129 129 VAL HA H 1 4.504 0.02 . 1 . 1301 . . 129 VAL HA . 18636 1 1522 . 1 1 129 129 VAL HB H 1 2.202 0.02 . 1 . 1302 . . 129 VAL HB . 18636 1 1523 . 1 1 129 129 VAL HG11 H 1 0.626 0.02 . 2 . 1303 . . 129 VAL HG11 . 18636 1 1524 . 1 1 129 129 VAL HG12 H 1 0.626 0.02 . 2 . 1303 . . 129 VAL HG12 . 18636 1 1525 . 1 1 129 129 VAL HG13 H 1 0.626 0.02 . 2 . 1303 . . 129 VAL HG13 . 18636 1 1526 . 1 1 129 129 VAL HG21 H 1 0.517 0.02 . 2 . 1304 . . 129 VAL HG21 . 18636 1 1527 . 1 1 129 129 VAL HG22 H 1 0.517 0.02 . 2 . 1304 . . 129 VAL HG22 . 18636 1 1528 . 1 1 129 129 VAL HG23 H 1 0.517 0.02 . 2 . 1304 . . 129 VAL HG23 . 18636 1 1529 . 1 1 129 129 VAL C C 13 174.350 0.30 . 1 . 1295 . . 129 VAL C . 18636 1 1530 . 1 1 129 129 VAL CA C 13 58.829 0.30 . 1 . 1296 . . 129 VAL CA . 18636 1 1531 . 1 1 129 129 VAL CB C 13 34.528 0.30 . 1 . 1297 . . 129 VAL CB . 18636 1 1532 . 1 1 129 129 VAL CG1 C 13 21.831 0.30 . 2 . 1298 . . 129 VAL CG1 . 18636 1 1533 . 1 1 129 129 VAL CG2 C 13 17.864 0.30 . 2 . 1299 . . 129 VAL CG2 . 18636 1 1534 . 1 1 129 129 VAL N N 15 119.729 0.30 . 1 . 1305 . . 129 VAL N . 18636 1 1535 . 1 1 130 130 ASP H H 1 7.844 0.02 . 1 . 1309 . . 130 ASP H . 18636 1 1536 . 1 1 130 130 ASP HA H 1 4.057 0.02 . 1 . 1310 . . 130 ASP HA . 18636 1 1537 . 1 1 130 130 ASP HB2 H 1 2.515 0.02 . 2 . 1311 . . 130 ASP HB2 . 18636 1 1538 . 1 1 130 130 ASP HB3 H 1 2.327 0.02 . 2 . 1312 . . 130 ASP HB3 . 18636 1 1539 . 1 1 130 130 ASP C C 13 181.719 0.30 . 1 . 1306 . . 130 ASP C . 18636 1 1540 . 1 1 130 130 ASP CA C 13 57.690 0.30 . 1 . 1307 . . 130 ASP CA . 18636 1 1541 . 1 1 130 130 ASP CB C 13 41.155 0.30 . 1 . 1308 . . 130 ASP CB . 18636 1 1542 . 1 1 130 130 ASP N N 15 124.140 0.30 . 1 . 1313 . . 130 ASP N . 18636 1 stop_ save_