data_5924 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5924 _Entry.Title ; NMR Solution Structure of the Focal Adhesion Targeting Domain (FAT) of Focal Adhesion Kinase (FAK) in Complex with a Paxillin LD Peptide: Evidence for a Two Site Binding Model ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-08-28 _Entry.Accession_date 2003-08-28 _Entry.Last_release_date 2004-03-02 _Entry.Original_release_date 2004-03-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Guanghua Gao . . . 5924 2 Kirk Prutzman . C . 5924 3 Michelle King . L . 5924 4 Eugene DeRose . F . 5924 5 Robert London . E . 5924 6 Michael Schaller . D . 5924 7 Sharon Campbell . L . 5924 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5924 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 776 5924 '13C chemical shifts' 358 5924 '15N chemical shifts' 129 5924 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-03-02 2003-08-28 original author . 5924 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5924 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14662767 _Citation.Full_citation . _Citation.Title ; NMR solution structure of the focal adhesion targeting domain of focal adhesion kinase in complex with a paxillin LD peptide: evidence for a two site binding model ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 279 _Citation.Journal_issue 9 _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 8441 _Citation.Page_last 8451 _Citation.Year 2004 _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 Guanghua Gao . . . 5924 1 2 Kirk Prutzman . C . 5924 1 3 Michelle King . L . 5924 1 4 D Scheswohl . M . 5924 1 5 Eugene DeRose . F . 5924 1 6 Robert London . E . 5924 1 7 Michael Schaller . D . 5924 1 8 Sharon Campbell . L . 5924 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_FAT _Assembly.Sf_category assembly _Assembly.Sf_framecode system_FAT _Assembly.Entry_ID 5924 _Assembly.ID 1 _Assembly.Name 'FAT domain of Focal adhesion kinase (920-1053)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5924 1 stop_ 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 'FAT of FAK' 1 $FAT . . . native . . . . . 5924 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1QVX . . . . . . 5924 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'FAT domain of Focal adhesion kinase (920-1053)' system 5924 1 FAT abbreviation 5924 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FAT _Entity.Sf_category entity _Entity.Sf_framecode FAT _Entity.Entry_ID 5924 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'FAT domain of Focal adhesion kinase (920-1053)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RSNDKVYENVTGLVKAVIEM SSKIQPAPPEEYVPMVKEVG LALRTLLATVDESLPVLPAS THREIEMAQKLLNSDLAELI NKMKLAQQYVMTSLQQEYKK QMLTAAHALAVDAKNLLDVI DQARLKMISQSRPH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 134 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Residues 13-146 reported here correspond to residues 920-1053 of avian FAT of FAK.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5266 . FAT . . . . . 100.00 139 100.00 100.00 1.25e-89 . . . . 5924 1 2 no BMRB 5677 . FAT . . . . . 100.00 146 100.00 100.00 1.24e-89 . . . . 5924 1 3 no PDB 1KTM . "Solution Structure Of Fat Domain Of Focal Adhesion Kinase" . . . . . 100.00 139 100.00 100.00 1.20e-89 . . . . 5924 1 4 no PDB 1PV3 . "Nmr Solution Structure Of The Avian Fat-Domain Of Focal Adhesion Kinase" . . . . . 100.00 146 100.00 100.00 1.24e-89 . . . . 5924 1 5 no PDB 1QVX . "Solution Structure Of The Fat Domain Of Focal Adhesion Kinase" . . . . . 100.00 134 100.00 100.00 1.08e-89 . . . . 5924 1 6 no PDB 2L6F . "Nmr Solution Structure Of Fat Domain Of Fak Complexed With Ld2 And Ld4 Motifs Of Paxillin" . . . . . 100.00 215 100.00 100.00 4.16e-91 . . . . 5924 1 7 no PDB 2L6G . "Fat-ld2 Double Labeled Construct With Free Ld4 Peptide" . . . . . 100.00 176 100.00 100.00 1.69e-89 . . . . 5924 1 8 no PDB 2L6H . "Fat Domain Of Focal Adhesion Kinase Tethered To Ld4 Motif Of Paxillin Via Ggs Linker" . . . . . 100.00 180 100.00 100.00 5.74e-91 . . . . 5924 1 9 no GB AAA48765 . "focal adhesion kinase [Gallus gallus]" . . . . . 100.00 1053 100.00 100.00 5.42e-81 . . . . 5924 1 10 no GB AAA48773 . "protein-tyrosine kinase [Gallus gallus]" . . . . . 100.00 359 99.25 99.25 4.10e-85 . . . . 5924 1 11 no GB EMC80181 . "Focal adhesion kinase 1, partial [Columba livia]" . . . . . 100.00 1043 99.25 100.00 1.99e-80 . . . . 5924 1 12 no GB EOA99770 . "Focal adhesion kinase 1, partial [Anas platyrhynchos]" . . . . . 100.00 1068 99.25 100.00 1.50e-80 . . . . 5924 1 13 no GB KFM11460 . "Focal adhesion kinase 1, partial [Aptenodytes forsteri]" . . . . . 100.00 1065 99.25 100.00 1.57e-80 . . . . 5924 1 14 no REF NP_990766 . "focal adhesion kinase 1 [Gallus gallus]" . . . . . 100.00 1053 100.00 100.00 5.42e-81 . . . . 5924 1 15 no REF XP_002191290 . "PREDICTED: focal adhesion kinase 1 isoform 1 [Taeniopygia guttata]" . . . . . 100.00 1051 97.76 99.25 1.16e-77 . . . . 5924 1 16 no REF XP_004174254 . "PREDICTED: focal adhesion kinase 1 isoform 2 [Taeniopygia guttata]" . . . . . 100.00 1054 97.76 99.25 1.17e-77 . . . . 5924 1 17 no REF XP_005021656 . "PREDICTED: focal adhesion kinase 1 isoform X1 [Anas platyrhynchos]" . . . . . 100.00 1099 99.25 100.00 1.90e-80 . . . . 5924 1 18 no REF XP_005021657 . "PREDICTED: focal adhesion kinase 1 isoform X2 [Anas platyrhynchos]" . . . . . 100.00 1096 99.25 100.00 1.67e-80 . . . . 5924 1 19 no SP Q00944 . "RecName: Full=Focal adhesion kinase 1; Short=FADK 1; AltName: Full=Focal adhesion kinase-related nonkinase; Short=FRNK; Short=p" . . . . . 100.00 1053 100.00 100.00 5.42e-81 . . . . 5924 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'FAT domain of Focal adhesion kinase (920-1053)' common 5924 1 FAT abbreviation 5924 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 13 ARG . 5924 1 2 14 SER . 5924 1 3 15 ASN . 5924 1 4 16 ASP . 5924 1 5 17 LYS . 5924 1 6 18 VAL . 5924 1 7 19 TYR . 5924 1 8 20 GLU . 5924 1 9 21 ASN . 5924 1 10 22 VAL . 5924 1 11 23 THR . 5924 1 12 24 GLY . 5924 1 13 25 LEU . 5924 1 14 26 VAL . 5924 1 15 27 LYS . 5924 1 16 28 ALA . 5924 1 17 29 VAL . 5924 1 18 30 ILE . 5924 1 19 31 GLU . 5924 1 20 32 MET . 5924 1 21 33 SER . 5924 1 22 34 SER . 5924 1 23 35 LYS . 5924 1 24 36 ILE . 5924 1 25 37 GLN . 5924 1 26 38 PRO . 5924 1 27 39 ALA . 5924 1 28 40 PRO . 5924 1 29 41 PRO . 5924 1 30 42 GLU . 5924 1 31 43 GLU . 5924 1 32 44 TYR . 5924 1 33 45 VAL . 5924 1 34 46 PRO . 5924 1 35 47 MET . 5924 1 36 48 VAL . 5924 1 37 49 LYS . 5924 1 38 50 GLU . 5924 1 39 51 VAL . 5924 1 40 52 GLY . 5924 1 41 53 LEU . 5924 1 42 54 ALA . 5924 1 43 55 LEU . 5924 1 44 56 ARG . 5924 1 45 57 THR . 5924 1 46 58 LEU . 5924 1 47 59 LEU . 5924 1 48 60 ALA . 5924 1 49 61 THR . 5924 1 50 62 VAL . 5924 1 51 63 ASP . 5924 1 52 64 GLU . 5924 1 53 65 SER . 5924 1 54 66 LEU . 5924 1 55 67 PRO . 5924 1 56 68 VAL . 5924 1 57 69 LEU . 5924 1 58 70 PRO . 5924 1 59 71 ALA . 5924 1 60 72 SER . 5924 1 61 73 THR . 5924 1 62 74 HIS . 5924 1 63 75 ARG . 5924 1 64 76 GLU . 5924 1 65 77 ILE . 5924 1 66 78 GLU . 5924 1 67 79 MET . 5924 1 68 80 ALA . 5924 1 69 81 GLN . 5924 1 70 82 LYS . 5924 1 71 83 LEU . 5924 1 72 84 LEU . 5924 1 73 85 ASN . 5924 1 74 86 SER . 5924 1 75 87 ASP . 5924 1 76 88 LEU . 5924 1 77 89 ALA . 5924 1 78 90 GLU . 5924 1 79 91 LEU . 5924 1 80 92 ILE . 5924 1 81 93 ASN . 5924 1 82 94 LYS . 5924 1 83 95 MET . 5924 1 84 96 LYS . 5924 1 85 97 LEU . 5924 1 86 98 ALA . 5924 1 87 99 GLN . 5924 1 88 100 GLN . 5924 1 89 101 TYR . 5924 1 90 102 VAL . 5924 1 91 103 MET . 5924 1 92 104 THR . 5924 1 93 105 SER . 5924 1 94 106 LEU . 5924 1 95 107 GLN . 5924 1 96 108 GLN . 5924 1 97 109 GLU . 5924 1 98 110 TYR . 5924 1 99 111 LYS . 5924 1 100 112 LYS . 5924 1 101 113 GLN . 5924 1 102 114 MET . 5924 1 103 115 LEU . 5924 1 104 116 THR . 5924 1 105 117 ALA . 5924 1 106 118 ALA . 5924 1 107 119 HIS . 5924 1 108 120 ALA . 5924 1 109 121 LEU . 5924 1 110 122 ALA . 5924 1 111 123 VAL . 5924 1 112 124 ASP . 5924 1 113 125 ALA . 5924 1 114 126 LYS . 5924 1 115 127 ASN . 5924 1 116 128 LEU . 5924 1 117 129 LEU . 5924 1 118 130 ASP . 5924 1 119 131 VAL . 5924 1 120 132 ILE . 5924 1 121 133 ASP . 5924 1 122 134 GLN . 5924 1 123 135 ALA . 5924 1 124 136 ARG . 5924 1 125 137 LEU . 5924 1 126 138 LYS . 5924 1 127 139 MET . 5924 1 128 140 ILE . 5924 1 129 141 SER . 5924 1 130 142 GLN . 5924 1 131 143 SER . 5924 1 132 144 ARG . 5924 1 133 145 PRO . 5924 1 134 146 HIS . 5924 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ARG 1 1 5924 1 . SER 2 2 5924 1 . ASN 3 3 5924 1 . ASP 4 4 5924 1 . LYS 5 5 5924 1 . VAL 6 6 5924 1 . TYR 7 7 5924 1 . GLU 8 8 5924 1 . ASN 9 9 5924 1 . VAL 10 10 5924 1 . THR 11 11 5924 1 . GLY 12 12 5924 1 . LEU 13 13 5924 1 . VAL 14 14 5924 1 . LYS 15 15 5924 1 . ALA 16 16 5924 1 . VAL 17 17 5924 1 . ILE 18 18 5924 1 . GLU 19 19 5924 1 . MET 20 20 5924 1 . SER 21 21 5924 1 . SER 22 22 5924 1 . LYS 23 23 5924 1 . ILE 24 24 5924 1 . GLN 25 25 5924 1 . PRO 26 26 5924 1 . ALA 27 27 5924 1 . PRO 28 28 5924 1 . PRO 29 29 5924 1 . GLU 30 30 5924 1 . GLU 31 31 5924 1 . TYR 32 32 5924 1 . VAL 33 33 5924 1 . PRO 34 34 5924 1 . MET 35 35 5924 1 . VAL 36 36 5924 1 . LYS 37 37 5924 1 . GLU 38 38 5924 1 . VAL 39 39 5924 1 . GLY 40 40 5924 1 . LEU 41 41 5924 1 . ALA 42 42 5924 1 . LEU 43 43 5924 1 . ARG 44 44 5924 1 . THR 45 45 5924 1 . LEU 46 46 5924 1 . LEU 47 47 5924 1 . ALA 48 48 5924 1 . THR 49 49 5924 1 . VAL 50 50 5924 1 . ASP 51 51 5924 1 . GLU 52 52 5924 1 . SER 53 53 5924 1 . LEU 54 54 5924 1 . PRO 55 55 5924 1 . VAL 56 56 5924 1 . LEU 57 57 5924 1 . PRO 58 58 5924 1 . ALA 59 59 5924 1 . SER 60 60 5924 1 . THR 61 61 5924 1 . HIS 62 62 5924 1 . ARG 63 63 5924 1 . GLU 64 64 5924 1 . ILE 65 65 5924 1 . GLU 66 66 5924 1 . MET 67 67 5924 1 . ALA 68 68 5924 1 . GLN 69 69 5924 1 . LYS 70 70 5924 1 . LEU 71 71 5924 1 . LEU 72 72 5924 1 . ASN 73 73 5924 1 . SER 74 74 5924 1 . ASP 75 75 5924 1 . LEU 76 76 5924 1 . ALA 77 77 5924 1 . GLU 78 78 5924 1 . LEU 79 79 5924 1 . ILE 80 80 5924 1 . ASN 81 81 5924 1 . LYS 82 82 5924 1 . MET 83 83 5924 1 . LYS 84 84 5924 1 . LEU 85 85 5924 1 . ALA 86 86 5924 1 . GLN 87 87 5924 1 . GLN 88 88 5924 1 . TYR 89 89 5924 1 . VAL 90 90 5924 1 . MET 91 91 5924 1 . THR 92 92 5924 1 . SER 93 93 5924 1 . LEU 94 94 5924 1 . GLN 95 95 5924 1 . GLN 96 96 5924 1 . GLU 97 97 5924 1 . TYR 98 98 5924 1 . LYS 99 99 5924 1 . LYS 100 100 5924 1 . GLN 101 101 5924 1 . MET 102 102 5924 1 . LEU 103 103 5924 1 . THR 104 104 5924 1 . ALA 105 105 5924 1 . ALA 106 106 5924 1 . HIS 107 107 5924 1 . ALA 108 108 5924 1 . LEU 109 109 5924 1 . ALA 110 110 5924 1 . VAL 111 111 5924 1 . ASP 112 112 5924 1 . ALA 113 113 5924 1 . LYS 114 114 5924 1 . ASN 115 115 5924 1 . LEU 116 116 5924 1 . LEU 117 117 5924 1 . ASP 118 118 5924 1 . VAL 119 119 5924 1 . ILE 120 120 5924 1 . ASP 121 121 5924 1 . GLN 122 122 5924 1 . ALA 123 123 5924 1 . ARG 124 124 5924 1 . LEU 125 125 5924 1 . LYS 126 126 5924 1 . MET 127 127 5924 1 . ILE 128 128 5924 1 . SER 129 129 5924 1 . GLN 130 130 5924 1 . SER 131 131 5924 1 . ARG 132 132 5924 1 . PRO 133 133 5924 1 . HIS 134 134 5924 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 5924 _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 $FAT . 9031 . . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . . . . . . . . . . . 5924 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 5924 _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 $FAT . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5924 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'FAT domain of Focal adhesion kinase (920-1053)' '[U-13C; U-15N]' . . 1 $FAT . . 0.6 0.1 0.6 mM . . . . 5924 1 stop_ save_ ####################### # Sample conditions # ####################### save_expt_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode expt_cond_1 _Sample_condition_list.Entry_ID 5924 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 na 5924 1 temperature 310 0.5 K 5924 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 5924 _Software.ID 1 _Software.Name NMRPIPE _Software.Version 2.1 _Software.Details . save_ save_NMRVIEW _Software.Sf_category software _Software.Sf_framecode NMRVIEW _Software.Entry_ID 5924 _Software.ID 2 _Software.Name NMRVIEW _Software.Version 5.0.4 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5924 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5924 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5924 _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 NMR_spectrometer_1 Varian Inova . 600 . . . 5924 1 2 NMR_spectrometer_2 Varian Inova . 800 . . . 5924 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5924 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D simultaneous 13C/15N edited NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 2 '2D 1H-15N TROSY HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 3 '2D 1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 4 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 5 '3D HN(CO)CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 6 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 7 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 8 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 9 '3D HCCH-COSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 10 '3D HCCH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 11 '3D H(CCO)-TOCSY-NNH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 12 '3D (H)C(CO)-TOCSY-NNH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 13 '2D (HB)CB(CGCDCE)HE' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 14 '2D (HB)CB(CGCD)HD' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5924 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5924 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D simultaneous 13C/15N edited NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5924 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-15N TROSY HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5924 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '2D 1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5924 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D HNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5924 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HN(CO)CA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5924 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5924 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5924 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5924 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HCCH-COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5924 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HCCH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5924 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D H(CCO)-TOCSY-NNH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5924 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D (H)C(CO)-TOCSY-NNH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 5924 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '2D (HB)CB(CGCDCE)HE' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 5924 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '2D (HB)CB(CGCD)HD' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5924 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 external cylindrical parallel . . . . . . 5924 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5924 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5924 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_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shifts_1 _Assigned_chem_shift_list.Entry_ID 5924 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $expt_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D simultaneous 13C/15N edited NOESY' 1 $sample_1 . 5924 1 2 '2D 1H-15N TROSY HSQC' 1 $sample_1 . 5924 1 3 '2D 1H-13C HSQC' 1 $sample_1 . 5924 1 4 '3D HNCA' 1 $sample_1 . 5924 1 5 '3D HN(CO)CA' 1 $sample_1 . 5924 1 6 '3D HNCACB' 1 $sample_1 . 5924 1 7 '3D CBCA(CO)NH' 1 $sample_1 . 5924 1 8 '3D HNCO' 1 $sample_1 . 5924 1 9 '3D HCCH-COSY' 1 $sample_1 . 5924 1 10 '3D HCCH-TOCSY' 1 $sample_1 . 5924 1 11 '3D H(CCO)-TOCSY-NNH' 1 $sample_1 . 5924 1 12 '3D (H)C(CO)-TOCSY-NNH' 1 $sample_1 . 5924 1 13 '2D (HB)CB(CGCDCE)HE' 1 $sample_1 . 5924 1 14 '2D (HB)CB(CGCD)HD' 1 $sample_1 . 5924 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 ARG N N 15 119.627 0.1 . 1 . . . . . . . . 5924 1 2 . 1 1 1 1 ARG H H 1 8.314 0.01 . 1 . . . . . . . . 5924 1 3 . 1 1 1 1 ARG CA C 13 55.507 0.1 . 1 . . . . . . . . 5924 1 4 . 1 1 1 1 ARG HA H 1 4.346 0.01 . 1 . . . . . . . . 5924 1 5 . 1 1 1 1 ARG CB C 13 30.638 0.1 . 1 . . . . . . . . 5924 1 6 . 1 1 1 1 ARG HB3 H 1 1.588 0.01 . 2 . . . . . . . . 5924 1 7 . 1 1 1 1 ARG HB2 H 1 1.686 0.01 . 2 . . . . . . . . 5924 1 8 . 1 1 1 1 ARG CG C 13 26.576 0.1 . 1 . . . . . . . . 5924 1 9 . 1 1 1 1 ARG HG3 H 1 1.149 0.01 . 2 . . . . . . . . 5924 1 10 . 1 1 1 1 ARG HG2 H 1 1.433 0.01 . 2 . . . . . . . . 5924 1 11 . 1 1 1 1 ARG CD C 13 43.328 0.1 . 1 . . . . . . . . 5924 1 12 . 1 1 1 1 ARG HD3 H 1 2.677 0.01 . 2 . . . . . . . . 5924 1 13 . 1 1 1 1 ARG HD2 H 1 2.938 0.01 . 2 . . . . . . . . 5924 1 14 . 1 1 2 2 SER N N 15 113.472 0.1 . 1 . . . . . . . . 5924 1 15 . 1 1 2 2 SER H H 1 8.031 0.01 . 1 . . . . . . . . 5924 1 16 . 1 1 2 2 SER CA C 13 59.229 0.1 . 1 . . . . . . . . 5924 1 17 . 1 1 2 2 SER HA H 1 4.345 0.01 . 1 . . . . . . . . 5924 1 18 . 1 1 2 2 SER CB C 13 63.631 0.1 . 1 . . . . . . . . 5924 1 19 . 1 1 2 2 SER HB3 H 1 3.844 0.01 . 1 . . . . . . . . 5924 1 20 . 1 1 2 2 SER HB2 H 1 3.844 0.01 . 1 . . . . . . . . 5924 1 21 . 1 1 3 3 ASN N N 15 116.792 0.1 . 1 . . . . . . . . 5924 1 22 . 1 1 3 3 ASN H H 1 8.606 0.01 . 1 . . . . . . . . 5924 1 23 . 1 1 3 3 ASN CA C 13 53.536 0.1 . 1 . . . . . . . . 5924 1 24 . 1 1 3 3 ASN HA H 1 4.656 0.01 . 1 . . . . . . . . 5924 1 25 . 1 1 3 3 ASN CB C 13 38.506 0.1 . 1 . . . . . . . . 5924 1 26 . 1 1 3 3 ASN HB3 H 1 2.797 0.01 . 2 . . . . . . . . 5924 1 27 . 1 1 3 3 ASN HB2 H 1 2.950 0.01 . 2 . . . . . . . . 5924 1 28 . 1 1 3 3 ASN ND2 N 15 113.479 0.1 . 1 . . . . . . . . 5924 1 29 . 1 1 3 3 ASN HD21 H 1 7.586 0.01 . 2 . . . . . . . . 5924 1 30 . 1 1 3 3 ASN HD22 H 1 6.839 0.01 . 2 . . . . . . . . 5924 1 31 . 1 1 4 4 ASP N N 15 116.487 0.1 . 1 . . . . . . . . 5924 1 32 . 1 1 4 4 ASP H H 1 7.965 0.01 . 1 . . . . . . . . 5924 1 33 . 1 1 4 4 ASP CA C 13 53.203 0.1 . 1 . . . . . . . . 5924 1 34 . 1 1 4 4 ASP HA H 1 4.754 0.01 . 1 . . . . . . . . 5924 1 35 . 1 1 4 4 ASP CB C 13 41.937 0.1 . 1 . . . . . . . . 5924 1 36 . 1 1 4 4 ASP HB3 H 1 2.569 0.01 . 2 . . . . . . . . 5924 1 37 . 1 1 4 4 ASP HB2 H 1 3.048 0.01 . 2 . . . . . . . . 5924 1 38 . 1 1 5 5 LYS N N 15 122.516 0.1 . 1 . . . . . . . . 5924 1 39 . 1 1 5 5 LYS H H 1 8.588 0.01 . 1 . . . . . . . . 5924 1 40 . 1 1 5 5 LYS CA C 13 58.811 0.1 . 1 . . . . . . . . 5924 1 41 . 1 1 5 5 LYS HA H 1 4.124 0.01 . 1 . . . . . . . . 5924 1 42 . 1 1 5 5 LYS CB C 13 32.669 0.1 . 1 . . . . . . . . 5924 1 43 . 1 1 5 5 LYS HB3 H 1 1.844 0.01 . 1 . . . . . . . . 5924 1 44 . 1 1 5 5 LYS HB2 H 1 1.844 0.01 . 1 . . . . . . . . 5924 1 45 . 1 1 5 5 LYS CG C 13 25.054 0.1 . 1 . . . . . . . . 5924 1 46 . 1 1 5 5 LYS HG3 H 1 1.553 0.01 . 2 . . . . . . . . 5924 1 47 . 1 1 5 5 LYS HG2 H 1 1.608 0.01 . 2 . . . . . . . . 5924 1 48 . 1 1 5 5 LYS CD C 13 29.117 0.1 . 1 . . . . . . . . 5924 1 49 . 1 1 5 5 LYS HD3 H 1 1.728 0.01 . 1 . . . . . . . . 5924 1 50 . 1 1 5 5 LYS HD2 H 1 1.728 0.01 . 1 . . . . . . . . 5924 1 51 . 1 1 5 5 LYS CE C 13 42.059 0.1 . 1 . . . . . . . . 5924 1 52 . 1 1 5 5 LYS HE3 H 1 3.026 0.01 . 1 . . . . . . . . 5924 1 53 . 1 1 5 5 LYS HE2 H 1 3.026 0.01 . 1 . . . . . . . . 5924 1 54 . 1 1 6 6 VAL N N 15 115.512 0.1 . 1 . . . . . . . . 5924 1 55 . 1 1 6 6 VAL H H 1 7.996 0.01 . 1 . . . . . . . . 5924 1 56 . 1 1 6 6 VAL CA C 13 67.236 0.1 . 1 . . . . . . . . 5924 1 57 . 1 1 6 6 VAL HA H 1 3.484 0.01 . 1 . . . . . . . . 5924 1 58 . 1 1 6 6 VAL CB C 13 31.030 0.1 . 1 . . . . . . . . 5924 1 59 . 1 1 6 6 VAL HB H 1 2.321 0.01 . 1 . . . . . . . . 5924 1 60 . 1 1 6 6 VAL CG2 C 13 21.756 0.1 . 1 . . . . . . . . 5924 1 61 . 1 1 6 6 VAL HG21 H 1 0.855 0.01 . 2 . . . . . . . . 5924 1 62 . 1 1 6 6 VAL HG22 H 1 0.855 0.01 . 2 . . . . . . . . 5924 1 63 . 1 1 6 6 VAL HG23 H 1 0.855 0.01 . 2 . . . . . . . . 5924 1 64 . 1 1 6 6 VAL CG1 C 13 22.772 0.1 . 1 . . . . . . . . 5924 1 65 . 1 1 6 6 VAL HG11 H 1 0.964 0.01 . 2 . . . . . . . . 5924 1 66 . 1 1 6 6 VAL HG12 H 1 0.964 0.01 . 2 . . . . . . . . 5924 1 67 . 1 1 6 6 VAL HG13 H 1 0.964 0.01 . 2 . . . . . . . . 5924 1 68 . 1 1 7 7 TYR N N 15 117.641 0.1 . 1 . . . . . . . . 5924 1 69 . 1 1 7 7 TYR H H 1 7.848 0.01 . 1 . . . . . . . . 5924 1 70 . 1 1 7 7 TYR CA C 13 62.467 0.1 . 1 . . . . . . . . 5924 1 71 . 1 1 7 7 TYR HA H 1 3.894 0.01 . 1 . . . . . . . . 5924 1 72 . 1 1 7 7 TYR CB C 13 38.519 0.1 . 1 . . . . . . . . 5924 1 73 . 1 1 7 7 TYR HB3 H 1 3.091 0.01 . 2 . . . . . . . . 5924 1 74 . 1 1 7 7 TYR HB2 H 1 3.184 0.01 . 2 . . . . . . . . 5924 1 75 . 1 1 7 7 TYR CD1 C 13 132.500 0.1 . 1 . . . . . . . . 5924 1 76 . 1 1 7 7 TYR HD1 H 1 7.104 0.01 . 1 . . . . . . . . 5924 1 77 . 1 1 7 7 TYR CE1 C 13 118.630 0.1 . 1 . . . . . . . . 5924 1 78 . 1 1 7 7 TYR HE1 H 1 6.888 0.01 . 1 . . . . . . . . 5924 1 79 . 1 1 7 7 TYR CE2 C 13 118.630 0.1 . 1 . . . . . . . . 5924 1 80 . 1 1 7 7 TYR HE2 H 1 6.888 0.01 . 1 . . . . . . . . 5924 1 81 . 1 1 7 7 TYR CD2 C 13 132.500 0.1 . 1 . . . . . . . . 5924 1 82 . 1 1 7 7 TYR HD2 H 1 7.104 0.01 . 1 . . . . . . . . 5924 1 83 . 1 1 8 8 GLU N N 15 116.706 0.1 . 1 . . . . . . . . 5924 1 84 . 1 1 8 8 GLU H H 1 8.534 0.01 . 1 . . . . . . . . 5924 1 85 . 1 1 8 8 GLU CA C 13 59.582 0.1 . 1 . . . . . . . . 5924 1 86 . 1 1 8 8 GLU HA H 1 3.952 0.01 . 1 . . . . . . . . 5924 1 87 . 1 1 8 8 GLU CB C 13 29.734 0.1 . 1 . . . . . . . . 5924 1 88 . 1 1 8 8 GLU HB3 H 1 2.139 0.01 . 2 . . . . . . . . 5924 1 89 . 1 1 8 8 GLU HB2 H 1 2.204 0.01 . 2 . . . . . . . . 5924 1 90 . 1 1 8 8 GLU CG C 13 36.230 0.1 . 1 . . . . . . . . 5924 1 91 . 1 1 8 8 GLU HG3 H 1 2.326 0.01 . 2 . . . . . . . . 5924 1 92 . 1 1 8 8 GLU HG2 H 1 2.490 0.01 . 2 . . . . . . . . 5924 1 93 . 1 1 9 9 ASN N N 15 114.484 0.1 . 1 . . . . . . . . 5924 1 94 . 1 1 9 9 ASN H H 1 8.384 0.01 . 1 . . . . . . . . 5924 1 95 . 1 1 9 9 ASN CA C 13 55.519 0.1 . 1 . . . . . . . . 5924 1 96 . 1 1 9 9 ASN HA H 1 4.734 0.01 . 1 . . . . . . . . 5924 1 97 . 1 1 9 9 ASN CB C 13 39.507 0.1 . 1 . . . . . . . . 5924 1 98 . 1 1 9 9 ASN HB3 H 1 2.545 0.01 . 2 . . . . . . . . 5924 1 99 . 1 1 9 9 ASN HB2 H 1 2.930 0.01 . 2 . . . . . . . . 5924 1 100 . 1 1 10 10 VAL N N 15 122.618 0.1 . 1 . . . . . . . . 5924 1 101 . 1 1 10 10 VAL H H 1 8.936 0.01 . 1 . . . . . . . . 5924 1 102 . 1 1 10 10 VAL CA C 13 68.105 0.1 . 1 . . . . . . . . 5924 1 103 . 1 1 10 10 VAL HA H 1 3.659 0.01 . 1 . . . . . . . . 5924 1 104 . 1 1 10 10 VAL CB C 13 31.377 0.1 . 1 . . . . . . . . 5924 1 105 . 1 1 10 10 VAL HB H 1 2.196 0.01 . 1 . . . . . . . . 5924 1 106 . 1 1 10 10 VAL CG2 C 13 24.808 0.1 . 1 . . . . . . . . 5924 1 107 . 1 1 10 10 VAL HG21 H 1 1.095 0.01 . 2 . . . . . . . . 5924 1 108 . 1 1 10 10 VAL HG22 H 1 1.095 0.01 . 2 . . . . . . . . 5924 1 109 . 1 1 10 10 VAL HG23 H 1 1.095 0.01 . 2 . . . . . . . . 5924 1 110 . 1 1 10 10 VAL CG1 C 13 21.754 0.1 . 1 . . . . . . . . 5924 1 111 . 1 1 10 10 VAL HG11 H 1 0.801 0.01 . 2 . . . . . . . . 5924 1 112 . 1 1 10 10 VAL HG12 H 1 0.801 0.01 . 2 . . . . . . . . 5924 1 113 . 1 1 10 10 VAL HG13 H 1 0.801 0.01 . 2 . . . . . . . . 5924 1 114 . 1 1 11 11 THR N N 15 111.832 0.1 . 1 . . . . . . . . 5924 1 115 . 1 1 11 11 THR H H 1 8.373 0.01 . 1 . . . . . . . . 5924 1 116 . 1 1 11 11 THR CA C 13 67.412 0.1 . 1 . . . . . . . . 5924 1 117 . 1 1 11 11 THR HB H 1 2.264 0.01 . 1 . . . . . . . . 5924 1 118 . 1 1 11 11 THR CG2 C 13 21.900 0.1 . 1 . . . . . . . . 5924 1 119 . 1 1 11 11 THR HG21 H 1 0.897 0.01 . 1 . . . . . . . . 5924 1 120 . 1 1 11 11 THR HG22 H 1 0.897 0.01 . 1 . . . . . . . . 5924 1 121 . 1 1 11 11 THR HG23 H 1 0.897 0.01 . 1 . . . . . . . . 5924 1 122 . 1 1 12 12 GLY N N 15 104.725 0.1 . 1 . . . . . . . . 5924 1 123 . 1 1 12 12 GLY H H 1 8.333 0.01 . 1 . . . . . . . . 5924 1 124 . 1 1 12 12 GLY CA C 13 47.272 0.1 . 1 . . . . . . . . 5924 1 125 . 1 1 12 12 GLY HA3 H 1 3.822 0.01 . 2 . . . . . . . . 5924 1 126 . 1 1 12 12 GLY HA2 H 1 4.022 0.01 . 2 . . . . . . . . 5924 1 127 . 1 1 13 13 LEU N N 15 120.853 0.1 . 1 . . . . . . . . 5924 1 128 . 1 1 13 13 LEU H H 1 7.696 0.01 . 1 . . . . . . . . 5924 1 129 . 1 1 13 13 LEU CA C 13 57.946 0.1 . 1 . . . . . . . . 5924 1 130 . 1 1 13 13 LEU HA H 1 4.182 0.01 . 1 . . . . . . . . 5924 1 131 . 1 1 13 13 LEU CB C 13 41.867 0.1 . 1 . . . . . . . . 5924 1 132 . 1 1 13 13 LEU HB3 H 1 1.457 0.01 . 1 . . . . . . . . 5924 1 133 . 1 1 13 13 LEU HB2 H 1 1.457 0.01 . 1 . . . . . . . . 5924 1 134 . 1 1 13 13 LEU HG H 1 1.457 0.01 . 1 . . . . . . . . 5924 1 135 . 1 1 13 13 LEU HD11 H 1 0.974 0.01 . 2 . . . . . . . . 5924 1 136 . 1 1 13 13 LEU HD12 H 1 0.974 0.01 . 2 . . . . . . . . 5924 1 137 . 1 1 13 13 LEU HD13 H 1 0.974 0.01 . 2 . . . . . . . . 5924 1 138 . 1 1 13 13 LEU HD21 H 1 0.886 0.01 . 2 . . . . . . . . 5924 1 139 . 1 1 13 13 LEU HD22 H 1 0.886 0.01 . 2 . . . . . . . . 5924 1 140 . 1 1 13 13 LEU HD23 H 1 0.886 0.01 . 2 . . . . . . . . 5924 1 141 . 1 1 14 14 VAL N N 15 116.913 0.1 . 1 . . . . . . . . 5924 1 142 . 1 1 14 14 VAL H H 1 8.432 0.01 . 1 . . . . . . . . 5924 1 143 . 1 1 14 14 VAL CA C 13 68.250 0.1 . 1 . . . . . . . . 5924 1 144 . 1 1 14 14 VAL HA H 1 3.347 0.01 . 1 . . . . . . . . 5924 1 145 . 1 1 14 14 VAL CB C 13 31.144 0.1 . 1 . . . . . . . . 5924 1 146 . 1 1 14 14 VAL HB H 1 2.122 0.01 . 1 . . . . . . . . 5924 1 147 . 1 1 14 14 VAL CG2 C 13 23.020 0.1 . 1 . . . . . . . . 5924 1 148 . 1 1 14 14 VAL HG21 H 1 0.888 0.01 . 2 . . . . . . . . 5924 1 149 . 1 1 14 14 VAL HG22 H 1 0.888 0.01 . 2 . . . . . . . . 5924 1 150 . 1 1 14 14 VAL HG23 H 1 0.888 0.01 . 2 . . . . . . . . 5924 1 151 . 1 1 14 14 VAL CG1 C 13 23.020 0.1 . 1 . . . . . . . . 5924 1 152 . 1 1 14 14 VAL HG11 H 1 0.984 0.01 . 2 . . . . . . . . 5924 1 153 . 1 1 14 14 VAL HG12 H 1 0.984 0.01 . 2 . . . . . . . . 5924 1 154 . 1 1 14 14 VAL HG13 H 1 0.984 0.01 . 2 . . . . . . . . 5924 1 155 . 1 1 15 15 LYS N N 15 115.997 0.1 . 1 . . . . . . . . 5924 1 156 . 1 1 15 15 LYS H H 1 8.755 0.01 . 1 . . . . . . . . 5924 1 157 . 1 1 15 15 LYS CA C 13 60.838 0.1 . 1 . . . . . . . . 5924 1 158 . 1 1 15 15 LYS HA H 1 3.944 0.01 . 1 . . . . . . . . 5924 1 159 . 1 1 15 15 LYS CB C 13 32.416 0.1 . 1 . . . . . . . . 5924 1 160 . 1 1 15 15 LYS HB3 H 1 1.959 0.01 . 1 . . . . . . . . 5924 1 161 . 1 1 15 15 LYS HB2 H 1 1.959 0.01 . 1 . . . . . . . . 5924 1 162 . 1 1 15 15 LYS CG C 13 26.578 0.1 . 1 . . . . . . . . 5924 1 163 . 1 1 15 15 LYS HG3 H 1 1.674 0.01 . 1 . . . . . . . . 5924 1 164 . 1 1 15 15 LYS HG2 H 1 1.674 0.01 . 1 . . . . . . . . 5924 1 165 . 1 1 15 15 LYS CD C 13 29.626 0.1 . 1 . . . . . . . . 5924 1 166 . 1 1 15 15 LYS CE C 13 42.311 0.1 . 1 . . . . . . . . 5924 1 167 . 1 1 15 15 LYS HE3 H 1 2.900 0.01 . 1 . . . . . . . . 5924 1 168 . 1 1 15 15 LYS HE2 H 1 2.900 0.01 . 1 . . . . . . . . 5924 1 169 . 1 1 16 16 ALA N N 15 119.026 0.1 . 1 . . . . . . . . 5924 1 170 . 1 1 16 16 ALA H H 1 7.924 0.01 . 1 . . . . . . . . 5924 1 171 . 1 1 16 16 ALA CA C 13 55.133 0.1 . 1 . . . . . . . . 5924 1 172 . 1 1 16 16 ALA HA H 1 4.292 0.01 . 1 . . . . . . . . 5924 1 173 . 1 1 16 16 ALA CB C 13 17.440 0.1 . 1 . . . . . . . . 5924 1 174 . 1 1 16 16 ALA HB1 H 1 1.591 0.01 . 1 . . . . . . . . 5924 1 175 . 1 1 16 16 ALA HB2 H 1 1.591 0.01 . 1 . . . . . . . . 5924 1 176 . 1 1 16 16 ALA HB3 H 1 1.591 0.01 . 1 . . . . . . . . 5924 1 177 . 1 1 17 17 VAL N N 15 117.120 0.1 . 1 . . . . . . . . 5924 1 178 . 1 1 17 17 VAL H H 1 8.414 0.01 . 1 . . . . . . . . 5924 1 179 . 1 1 17 17 VAL CA C 13 67.397 0.1 . 1 . . . . . . . . 5924 1 180 . 1 1 17 17 VAL HA H 1 3.601 0.01 . 1 . . . . . . . . 5924 1 181 . 1 1 17 17 VAL CB C 13 31.610 0.1 . 1 . . . . . . . . 5924 1 182 . 1 1 17 17 VAL HB H 1 2.426 0.01 . 1 . . . . . . . . 5924 1 183 . 1 1 17 17 VAL CG2 C 13 22.766 0.1 . 1 . . . . . . . . 5924 1 184 . 1 1 17 17 VAL HG21 H 1 0.963 0.01 . 2 . . . . . . . . 5924 1 185 . 1 1 17 17 VAL HG22 H 1 0.963 0.01 . 2 . . . . . . . . 5924 1 186 . 1 1 17 17 VAL HG23 H 1 0.963 0.01 . 2 . . . . . . . . 5924 1 187 . 1 1 17 17 VAL CG1 C 13 23.787 0.1 . 1 . . . . . . . . 5924 1 188 . 1 1 17 17 VAL HG11 H 1 1.156 0.01 . 2 . . . . . . . . 5924 1 189 . 1 1 17 17 VAL HG12 H 1 1.156 0.01 . 2 . . . . . . . . 5924 1 190 . 1 1 17 17 VAL HG13 H 1 1.156 0.01 . 2 . . . . . . . . 5924 1 191 . 1 1 18 18 ILE N N 15 123.279 0.1 . 1 . . . . . . . . 5924 1 192 . 1 1 18 18 ILE H H 1 8.837 0.01 . 1 . . . . . . . . 5924 1 193 . 1 1 18 18 ILE CA C 13 66.605 0.1 . 1 . . . . . . . . 5924 1 194 . 1 1 18 18 ILE HA H 1 3.523 0.01 . 1 . . . . . . . . 5924 1 195 . 1 1 18 18 ILE HB H 1 2.055 0.01 . 1 . . . . . . . . 5924 1 196 . 1 1 18 18 ILE HG13 H 1 1.854 0.01 . 1 . . . . . . . . 5924 1 197 . 1 1 18 18 ILE HG12 H 1 1.854 0.01 . 1 . . . . . . . . 5924 1 198 . 1 1 18 18 ILE CD1 C 13 14.897 0.1 . 1 . . . . . . . . 5924 1 199 . 1 1 18 18 ILE HD11 H 1 0.960 0.01 . 1 . . . . . . . . 5924 1 200 . 1 1 18 18 ILE HD12 H 1 0.960 0.01 . 1 . . . . . . . . 5924 1 201 . 1 1 18 18 ILE HD13 H 1 0.960 0.01 . 1 . . . . . . . . 5924 1 202 . 1 1 18 18 ILE CG2 C 13 17.451 0.1 . 1 . . . . . . . . 5924 1 203 . 1 1 18 18 ILE HG21 H 1 0.962 0.01 . 1 . . . . . . . . 5924 1 204 . 1 1 18 18 ILE HG22 H 1 0.962 0.01 . 1 . . . . . . . . 5924 1 205 . 1 1 18 18 ILE HG23 H 1 0.962 0.01 . 1 . . . . . . . . 5924 1 206 . 1 1 19 19 GLU N N 15 117.885 0.1 . 1 . . . . . . . . 5924 1 207 . 1 1 19 19 GLU H H 1 8.354 0.01 . 1 . . . . . . . . 5924 1 208 . 1 1 19 19 GLU CA C 13 59.740 0.1 . 1 . . . . . . . . 5924 1 209 . 1 1 19 19 GLU HA H 1 4.107 0.01 . 1 . . . . . . . . 5924 1 210 . 1 1 19 19 GLU CB C 13 29.147 0.1 . 1 . . . . . . . . 5924 1 211 . 1 1 19 19 GLU HB3 H 1 2.098 0.01 . 1 . . . . . . . . 5924 1 212 . 1 1 19 19 GLU HB2 H 1 2.098 0.01 . 1 . . . . . . . . 5924 1 213 . 1 1 19 19 GLU CG C 13 35.965 0.1 . 1 . . . . . . . . 5924 1 214 . 1 1 19 19 GLU HG3 H 1 2.336 0.01 . 1 . . . . . . . . 5924 1 215 . 1 1 19 19 GLU HG2 H 1 2.336 0.01 . 1 . . . . . . . . 5924 1 216 . 1 1 20 20 MET N N 15 115.094 0.1 . 1 . . . . . . . . 5924 1 217 . 1 1 20 20 MET H H 1 8.127 0.01 . 1 . . . . . . . . 5924 1 218 . 1 1 20 20 MET CA C 13 59.353 0.1 . 1 . . . . . . . . 5924 1 219 . 1 1 20 20 MET HA H 1 4.061 0.01 . 1 . . . . . . . . 5924 1 220 . 1 1 20 20 MET CB C 13 33.477 0.1 . 1 . . . . . . . . 5924 1 221 . 1 1 20 20 MET HB3 H 1 2.314 0.01 . 1 . . . . . . . . 5924 1 222 . 1 1 20 20 MET HB2 H 1 2.314 0.01 . 1 . . . . . . . . 5924 1 223 . 1 1 20 20 MET CG C 13 31.656 0.1 . 1 . . . . . . . . 5924 1 224 . 1 1 20 20 MET HG3 H 1 2.545 0.01 . 1 . . . . . . . . 5924 1 225 . 1 1 20 20 MET HG2 H 1 2.545 0.01 . 1 . . . . . . . . 5924 1 226 . 1 1 21 21 SER N N 15 110.387 0.1 . 1 . . . . . . . . 5924 1 227 . 1 1 21 21 SER H H 1 8.481 0.01 . 1 . . . . . . . . 5924 1 228 . 1 1 21 21 SER CA C 13 62.690 0.1 . 1 . . . . . . . . 5924 1 229 . 1 1 21 21 SER HA H 1 4.038 0.01 . 1 . . . . . . . . 5924 1 230 . 1 1 21 21 SER HB3 H 1 3.777 0.01 . 1 . . . . . . . . 5924 1 231 . 1 1 21 21 SER HB2 H 1 3.777 0.01 . 1 . . . . . . . . 5924 1 232 . 1 1 22 22 SER N N 15 111.899 0.1 . 1 . . . . . . . . 5924 1 233 . 1 1 22 22 SER H H 1 8.053 0.01 . 1 . . . . . . . . 5924 1 234 . 1 1 22 22 SER CA C 13 60.754 0.1 . 1 . . . . . . . . 5924 1 235 . 1 1 22 22 SER HA H 1 4.358 0.01 . 1 . . . . . . . . 5924 1 236 . 1 1 22 22 SER HB3 H 1 3.995 0.01 . 1 . . . . . . . . 5924 1 237 . 1 1 22 22 SER HB2 H 1 3.995 0.01 . 1 . . . . . . . . 5924 1 238 . 1 1 23 23 LYS N N 15 116.692 0.1 . 1 . . . . . . . . 5924 1 239 . 1 1 23 23 LYS H H 1 7.794 0.01 . 1 . . . . . . . . 5924 1 240 . 1 1 23 23 LYS CA C 13 57.671 0.1 . 1 . . . . . . . . 5924 1 241 . 1 1 23 23 LYS HA H 1 4.359 0.01 . 1 . . . . . . . . 5924 1 242 . 1 1 23 23 LYS HB3 H 1 1.962 0.01 . 1 . . . . . . . . 5924 1 243 . 1 1 23 23 LYS HB2 H 1 1.962 0.01 . 1 . . . . . . . . 5924 1 244 . 1 1 23 23 LYS HG3 H 1 1.460 0.01 . 1 . . . . . . . . 5924 1 245 . 1 1 23 23 LYS HG2 H 1 1.460 0.01 . 1 . . . . . . . . 5924 1 246 . 1 1 23 23 LYS HD3 H 1 1.722 0.01 . 1 . . . . . . . . 5924 1 247 . 1 1 23 23 LYS HD2 H 1 1.722 0.01 . 1 . . . . . . . . 5924 1 248 . 1 1 23 23 LYS HE3 H 1 2.991 0.01 . 1 . . . . . . . . 5924 1 249 . 1 1 23 23 LYS HE2 H 1 2.991 0.01 . 1 . . . . . . . . 5924 1 250 . 1 1 24 24 ILE N N 15 113.630 0.1 . 1 . . . . . . . . 5924 1 251 . 1 1 24 24 ILE H H 1 7.914 0.01 . 1 . . . . . . . . 5924 1 252 . 1 1 24 24 ILE CA C 13 64.063 0.1 . 1 . . . . . . . . 5924 1 253 . 1 1 24 24 ILE HA H 1 3.952 0.01 . 1 . . . . . . . . 5924 1 254 . 1 1 24 24 ILE HB H 1 1.979 0.01 . 1 . . . . . . . . 5924 1 255 . 1 1 24 24 ILE HD11 H 1 0.611 0.01 . 1 . . . . . . . . 5924 1 256 . 1 1 24 24 ILE HD12 H 1 0.611 0.01 . 1 . . . . . . . . 5924 1 257 . 1 1 24 24 ILE HD13 H 1 0.611 0.01 . 1 . . . . . . . . 5924 1 258 . 1 1 24 24 ILE CG2 C 13 17.948 0.1 . 1 . . . . . . . . 5924 1 259 . 1 1 24 24 ILE HG21 H 1 0.875 0.01 . 1 . . . . . . . . 5924 1 260 . 1 1 24 24 ILE HG22 H 1 0.875 0.01 . 1 . . . . . . . . 5924 1 261 . 1 1 24 24 ILE HG23 H 1 0.875 0.01 . 1 . . . . . . . . 5924 1 262 . 1 1 25 25 GLN N N 15 116.617 0.1 . 1 . . . . . . . . 5924 1 263 . 1 1 25 25 GLN H H 1 8.180 0.01 . 1 . . . . . . . . 5924 1 264 . 1 1 25 25 GLN CA C 13 62.042 0.1 . 1 . . . . . . . . 5924 1 265 . 1 1 25 25 GLN HA H 1 4.164 0.01 . 1 . . . . . . . . 5924 1 266 . 1 1 25 25 GLN CB C 13 25.435 0.1 . 1 . . . . . . . . 5924 1 267 . 1 1 25 25 GLN HB3 H 1 2.249 0.01 . 1 . . . . . . . . 5924 1 268 . 1 1 25 25 GLN HB2 H 1 2.249 0.01 . 1 . . . . . . . . 5924 1 269 . 1 1 25 25 GLN CG C 13 34.052 0.1 . 1 . . . . . . . . 5924 1 270 . 1 1 25 25 GLN HG3 H 1 2.402 0.01 . 2 . . . . . . . . 5924 1 271 . 1 1 25 25 GLN HG2 H 1 2.622 0.01 . 2 . . . . . . . . 5924 1 272 . 1 1 25 25 GLN NE2 N 15 111.617 0.1 . 1 . . . . . . . . 5924 1 273 . 1 1 25 25 GLN HE21 H 1 7.438 0.01 . 2 . . . . . . . . 5924 1 274 . 1 1 25 25 GLN HE22 H 1 6.858 0.01 . 2 . . . . . . . . 5924 1 275 . 1 1 26 26 PRO CA C 13 63.889 0.1 . 1 . . . . . . . . 5924 1 276 . 1 1 26 26 PRO HA H 1 4.783 0.01 . 1 . . . . . . . . 5924 1 277 . 1 1 26 26 PRO CB C 13 31.803 0.1 . 1 . . . . . . . . 5924 1 278 . 1 1 26 26 PRO HB3 H 1 2.246 0.01 . 1 . . . . . . . . 5924 1 279 . 1 1 26 26 PRO HB2 H 1 2.246 0.01 . 1 . . . . . . . . 5924 1 280 . 1 1 26 26 PRO CG C 13 26.942 0.1 . 1 . . . . . . . . 5924 1 281 . 1 1 26 26 PRO HG3 H 1 2.072 0.01 . 1 . . . . . . . . 5924 1 282 . 1 1 26 26 PRO HG2 H 1 2.072 0.01 . 1 . . . . . . . . 5924 1 283 . 1 1 26 26 PRO CD C 13 48.396 0.1 . 1 . . . . . . . . 5924 1 284 . 1 1 27 27 ALA N N 15 119.892 0.1 . 1 . . . . . . . . 5924 1 285 . 1 1 27 27 ALA H H 1 7.066 0.01 . 1 . . . . . . . . 5924 1 286 . 1 1 27 27 ALA CA C 13 51.380 0.1 . 1 . . . . . . . . 5924 1 287 . 1 1 27 27 ALA CB C 13 19.492 0.1 . 1 . . . . . . . . 5924 1 288 . 1 1 27 27 ALA HB1 H 1 1.600 0.01 . 1 . . . . . . . . 5924 1 289 . 1 1 27 27 ALA HB2 H 1 1.600 0.01 . 1 . . . . . . . . 5924 1 290 . 1 1 27 27 ALA HB3 H 1 1.600 0.01 . 1 . . . . . . . . 5924 1 291 . 1 1 29 29 PRO CA C 13 64.141 0.1 . 1 . . . . . . . . 5924 1 292 . 1 1 29 29 PRO HA H 1 3.964 0.01 . 1 . . . . . . . . 5924 1 293 . 1 1 29 29 PRO CB C 13 31.914 0.1 . 1 . . . . . . . . 5924 1 294 . 1 1 29 29 PRO HB3 H 1 1.989 0.01 . 1 . . . . . . . . 5924 1 295 . 1 1 29 29 PRO HB2 H 1 1.989 0.01 . 1 . . . . . . . . 5924 1 296 . 1 1 29 29 PRO CG C 13 27.844 0.1 . 1 . . . . . . . . 5924 1 297 . 1 1 29 29 PRO CD C 13 50.182 0.1 . 1 . . . . . . . . 5924 1 298 . 1 1 30 30 GLU N N 15 114.077 0.1 . 1 . . . . . . . . 5924 1 299 . 1 1 30 30 GLU H H 1 9.363 0.01 . 1 . . . . . . . . 5924 1 300 . 1 1 30 30 GLU CA C 13 59.563 0.1 . 1 . . . . . . . . 5924 1 301 . 1 1 30 30 GLU HA H 1 4.083 0.01 . 1 . . . . . . . . 5924 1 302 . 1 1 30 30 GLU CB C 13 28.604 0.1 . 1 . . . . . . . . 5924 1 303 . 1 1 30 30 GLU HB3 H 1 2.072 0.01 . 1 . . . . . . . . 5924 1 304 . 1 1 30 30 GLU HB2 H 1 2.072 0.01 . 1 . . . . . . . . 5924 1 305 . 1 1 30 30 GLU CG C 13 36.727 0.1 . 1 . . . . . . . . 5924 1 306 . 1 1 30 30 GLU HG3 H 1 2.335 0.01 . 1 . . . . . . . . 5924 1 307 . 1 1 30 30 GLU HG2 H 1 2.335 0.01 . 1 . . . . . . . . 5924 1 308 . 1 1 31 31 GLU N N 15 113.994 0.1 . 1 . . . . . . . . 5924 1 309 . 1 1 31 31 GLU H H 1 8.016 0.01 . 1 . . . . . . . . 5924 1 310 . 1 1 31 31 GLU CA C 13 56.524 0.1 . 1 . . . . . . . . 5924 1 311 . 1 1 31 31 GLU HA H 1 4.477 0.01 . 1 . . . . . . . . 5924 1 312 . 1 1 31 31 GLU CB C 13 30.639 0.1 . 1 . . . . . . . . 5924 1 313 . 1 1 31 31 GLU HB3 H 1 2.027 0.01 . 1 . . . . . . . . 5924 1 314 . 1 1 31 31 GLU HB2 H 1 2.027 0.01 . 1 . . . . . . . . 5924 1 315 . 1 1 31 31 GLU CG C 13 36.731 0.1 . 1 . . . . . . . . 5924 1 316 . 1 1 31 31 GLU HG3 H 1 2.335 0.01 . 1 . . . . . . . . 5924 1 317 . 1 1 31 31 GLU HG2 H 1 2.335 0.01 . 1 . . . . . . . . 5924 1 318 . 1 1 32 32 TYR N N 15 114.210 0.1 . 1 . . . . . . . . 5924 1 319 . 1 1 32 32 TYR H H 1 7.835 0.01 . 1 . . . . . . . . 5924 1 320 . 1 1 32 32 TYR CA C 13 58.530 0.1 . 1 . . . . . . . . 5924 1 321 . 1 1 32 32 TYR CB C 13 37.684 0.1 . 1 . . . . . . . . 5924 1 322 . 1 1 32 32 TYR HB3 H 1 2.963 0.01 . 2 . . . . . . . . 5924 1 323 . 1 1 32 32 TYR HB2 H 1 3.249 0.01 . 2 . . . . . . . . 5924 1 324 . 1 1 32 32 TYR CD1 C 13 131.100 0.1 . 1 . . . . . . . . 5924 1 325 . 1 1 32 32 TYR HD1 H 1 6.847 0.01 . 1 . . . . . . . . 5924 1 326 . 1 1 32 32 TYR CE1 C 13 117.860 0.1 . 1 . . . . . . . . 5924 1 327 . 1 1 32 32 TYR HE1 H 1 6.737 0.01 . 1 . . . . . . . . 5924 1 328 . 1 1 32 32 TYR CE2 C 13 117.860 0.1 . 1 . . . . . . . . 5924 1 329 . 1 1 32 32 TYR HE2 H 1 6.737 0.01 . 1 . . . . . . . . 5924 1 330 . 1 1 32 32 TYR CD2 C 13 131.100 0.1 . 1 . . . . . . . . 5924 1 331 . 1 1 32 32 TYR HD2 H 1 6.847 0.01 . 1 . . . . . . . . 5924 1 332 . 1 1 33 33 VAL N N 15 116.210 0.1 . 1 . . . . . . . . 5924 1 333 . 1 1 33 33 VAL H H 1 8.275 0.01 . 1 . . . . . . . . 5924 1 334 . 1 1 33 33 VAL CA C 13 68.957 0.1 . 1 . . . . . . . . 5924 1 335 . 1 1 33 33 VAL HA H 1 4.011 0.01 . 1 . . . . . . . . 5924 1 336 . 1 1 33 33 VAL CB C 13 29.216 0.1 . 1 . . . . . . . . 5924 1 337 . 1 1 33 33 VAL HB H 1 2.317 0.01 . 1 . . . . . . . . 5924 1 338 . 1 1 33 33 VAL HG21 H 1 1.127 0.01 . 2 . . . . . . . . 5924 1 339 . 1 1 33 33 VAL HG22 H 1 1.127 0.01 . 2 . . . . . . . . 5924 1 340 . 1 1 33 33 VAL HG23 H 1 1.127 0.01 . 2 . . . . . . . . 5924 1 341 . 1 1 33 33 VAL HG11 H 1 0.966 0.01 . 2 . . . . . . . . 5924 1 342 . 1 1 33 33 VAL HG12 H 1 0.966 0.01 . 2 . . . . . . . . 5924 1 343 . 1 1 33 33 VAL HG13 H 1 0.966 0.01 . 2 . . . . . . . . 5924 1 344 . 1 1 34 34 PRO CA C 13 65.988 0.1 . 1 . . . . . . . . 5924 1 345 . 1 1 34 34 PRO HA H 1 4.270 0.01 . 1 . . . . . . . . 5924 1 346 . 1 1 34 34 PRO CB C 13 31.144 0.1 . 1 . . . . . . . . 5924 1 347 . 1 1 34 34 PRO HB3 H 1 2.404 0.01 . 2 . . . . . . . . 5924 1 348 . 1 1 34 34 PRO HB2 H 1 1.978 0.01 . 2 . . . . . . . . 5924 1 349 . 1 1 34 34 PRO CG C 13 28.234 0.1 . 1 . . . . . . . . 5924 1 350 . 1 1 35 35 MET N N 15 111.484 0.1 . 1 . . . . . . . . 5924 1 351 . 1 1 35 35 MET H H 1 7.157 0.01 . 1 . . . . . . . . 5924 1 352 . 1 1 35 35 MET CA C 13 59.309 0.1 . 1 . . . . . . . . 5924 1 353 . 1 1 35 35 MET HA H 1 4.275 0.01 . 1 . . . . . . . . 5924 1 354 . 1 1 35 35 MET CB C 13 32.745 0.1 . 1 . . . . . . . . 5924 1 355 . 1 1 35 35 MET HB3 H 1 2.676 0.01 . 1 . . . . . . . . 5924 1 356 . 1 1 35 35 MET HB2 H 1 2.676 0.01 . 1 . . . . . . . . 5924 1 357 . 1 1 35 35 MET CG C 13 32.745 0.1 . 1 . . . . . . . . 5924 1 358 . 1 1 35 35 MET HG3 H 1 2.952 0.01 . 1 . . . . . . . . 5924 1 359 . 1 1 35 35 MET HG2 H 1 2.952 0.01 . 1 . . . . . . . . 5924 1 360 . 1 1 36 36 VAL N N 15 118.030 0.1 . 1 . . . . . . . . 5924 1 361 . 1 1 36 36 VAL H H 1 8.216 0.01 . 1 . . . . . . . . 5924 1 362 . 1 1 36 36 VAL CA C 13 66.584 0.1 . 1 . . . . . . . . 5924 1 363 . 1 1 36 36 VAL HA H 1 3.589 0.01 . 1 . . . . . . . . 5924 1 364 . 1 1 36 36 VAL HB H 1 2.259 0.01 . 1 . . . . . . . . 5924 1 365 . 1 1 36 36 VAL HG21 H 1 1.012 0.01 . 2 . . . . . . . . 5924 1 366 . 1 1 36 36 VAL HG22 H 1 1.012 0.01 . 2 . . . . . . . . 5924 1 367 . 1 1 36 36 VAL HG23 H 1 1.012 0.01 . 2 . . . . . . . . 5924 1 368 . 1 1 36 36 VAL HG11 H 1 0.893 0.01 . 2 . . . . . . . . 5924 1 369 . 1 1 36 36 VAL HG12 H 1 0.893 0.01 . 2 . . . . . . . . 5924 1 370 . 1 1 36 36 VAL HG13 H 1 0.893 0.01 . 2 . . . . . . . . 5924 1 371 . 1 1 37 37 LYS N N 15 118.231 0.1 . 1 . . . . . . . . 5924 1 372 . 1 1 37 37 LYS H H 1 8.806 0.01 . 1 . . . . . . . . 5924 1 373 . 1 1 37 37 LYS CA C 13 60.672 0.1 . 1 . . . . . . . . 5924 1 374 . 1 1 37 37 LYS HA H 1 3.733 0.01 . 1 . . . . . . . . 5924 1 375 . 1 1 37 37 LYS CB C 13 32.163 0.1 . 1 . . . . . . . . 5924 1 376 . 1 1 37 37 LYS HB3 H 1 1.891 0.01 . 1 . . . . . . . . 5924 1 377 . 1 1 37 37 LYS HB2 H 1 1.891 0.01 . 1 . . . . . . . . 5924 1 378 . 1 1 37 37 LYS CE C 13 42.057 0.1 . 1 . . . . . . . . 5924 1 379 . 1 1 38 38 GLU N N 15 113.667 0.1 . 1 . . . . . . . . 5924 1 380 . 1 1 38 38 GLU H H 1 7.591 0.01 . 1 . . . . . . . . 5924 1 381 . 1 1 38 38 GLU CA C 13 60.078 0.1 . 1 . . . . . . . . 5924 1 382 . 1 1 38 38 GLU HA H 1 4.039 0.01 . 1 . . . . . . . . 5924 1 383 . 1 1 38 38 GLU CB C 13 29.370 0.1 . 1 . . . . . . . . 5924 1 384 . 1 1 38 38 GLU HB3 H 1 2.246 0.01 . 1 . . . . . . . . 5924 1 385 . 1 1 38 38 GLU HB2 H 1 2.246 0.01 . 1 . . . . . . . . 5924 1 386 . 1 1 38 38 GLU CG C 13 35.966 0.1 . 1 . . . . . . . . 5924 1 387 . 1 1 38 38 GLU HG3 H 1 2.465 0.01 . 1 . . . . . . . . 5924 1 388 . 1 1 38 38 GLU HG2 H 1 2.465 0.01 . 1 . . . . . . . . 5924 1 389 . 1 1 39 39 VAL N N 15 117.015 0.1 . 1 . . . . . . . . 5924 1 390 . 1 1 39 39 VAL H H 1 7.300 0.01 . 1 . . . . . . . . 5924 1 391 . 1 1 39 39 VAL CA C 13 66.836 0.1 . 1 . . . . . . . . 5924 1 392 . 1 1 39 39 VAL HA H 1 3.515 0.01 . 1 . . . . . . . . 5924 1 393 . 1 1 39 39 VAL HB H 1 2.339 0.01 . 1 . . . . . . . . 5924 1 394 . 1 1 39 39 VAL CG2 C 13 22.509 0.1 . 1 . . . . . . . . 5924 1 395 . 1 1 39 39 VAL HG21 H 1 0.804 0.01 . 2 . . . . . . . . 5924 1 396 . 1 1 39 39 VAL HG22 H 1 0.804 0.01 . 2 . . . . . . . . 5924 1 397 . 1 1 39 39 VAL HG23 H 1 0.804 0.01 . 2 . . . . . . . . 5924 1 398 . 1 1 39 39 VAL CG1 C 13 23.785 0.1 . 1 . . . . . . . . 5924 1 399 . 1 1 39 39 VAL HG11 H 1 1.022 0.01 . 2 . . . . . . . . 5924 1 400 . 1 1 39 39 VAL HG12 H 1 1.022 0.01 . 2 . . . . . . . . 5924 1 401 . 1 1 39 39 VAL HG13 H 1 1.022 0.01 . 2 . . . . . . . . 5924 1 402 . 1 1 40 40 GLY N N 15 103.613 0.1 . 1 . . . . . . . . 5924 1 403 . 1 1 40 40 GLY H H 1 8.664 0.01 . 1 . . . . . . . . 5924 1 404 . 1 1 40 40 GLY CA C 13 48.149 0.1 . 1 . . . . . . . . 5924 1 405 . 1 1 40 40 GLY HA3 H 1 3.538 0.01 . 2 . . . . . . . . 5924 1 406 . 1 1 40 40 GLY HA2 H 1 3.734 0.01 . 2 . . . . . . . . 5924 1 407 . 1 1 41 41 LEU N N 15 118.776 0.1 . 1 . . . . . . . . 5924 1 408 . 1 1 41 41 LEU H H 1 8.801 0.01 . 1 . . . . . . . . 5924 1 409 . 1 1 41 41 LEU CA C 13 57.798 0.1 . 1 . . . . . . . . 5924 1 410 . 1 1 41 41 LEU HA H 1 4.170 0.01 . 1 . . . . . . . . 5924 1 411 . 1 1 41 41 LEU CB C 13 41.296 0.1 . 1 . . . . . . . . 5924 1 412 . 1 1 41 41 LEU HB3 H 1 1.591 0.01 . 1 . . . . . . . . 5924 1 413 . 1 1 41 41 LEU HB2 H 1 1.591 0.01 . 1 . . . . . . . . 5924 1 414 . 1 1 41 41 LEU CD1 C 13 25.568 0.1 . 1 . . . . . . . . 5924 1 415 . 1 1 41 41 LEU HD11 H 1 0.892 0.01 . 1 . . . . . . . . 5924 1 416 . 1 1 41 41 LEU HD12 H 1 0.892 0.01 . 1 . . . . . . . . 5924 1 417 . 1 1 41 41 LEU HD13 H 1 0.892 0.01 . 1 . . . . . . . . 5924 1 418 . 1 1 41 41 LEU CD2 C 13 22.765 0.1 . 1 . . . . . . . . 5924 1 419 . 1 1 41 41 LEU HD21 H 1 0.892 0.01 . 1 . . . . . . . . 5924 1 420 . 1 1 41 41 LEU HD22 H 1 0.892 0.01 . 1 . . . . . . . . 5924 1 421 . 1 1 41 41 LEU HD23 H 1 0.892 0.01 . 1 . . . . . . . . 5924 1 422 . 1 1 42 42 ALA N N 15 120.195 0.1 . 1 . . . . . . . . 5924 1 423 . 1 1 42 42 ALA H H 1 7.816 0.01 . 1 . . . . . . . . 5924 1 424 . 1 1 42 42 ALA CA C 13 54.859 0.1 . 1 . . . . . . . . 5924 1 425 . 1 1 42 42 ALA HA H 1 4.258 0.01 . 1 . . . . . . . . 5924 1 426 . 1 1 42 42 ALA CB C 13 17.442 0.1 . 1 . . . . . . . . 5924 1 427 . 1 1 42 42 ALA HB1 H 1 1.503 0.01 . 1 . . . . . . . . 5924 1 428 . 1 1 42 42 ALA HB2 H 1 1.503 0.01 . 1 . . . . . . . . 5924 1 429 . 1 1 42 42 ALA HB3 H 1 1.503 0.01 . 1 . . . . . . . . 5924 1 430 . 1 1 43 43 LEU N N 15 118.673 0.1 . 1 . . . . . . . . 5924 1 431 . 1 1 43 43 LEU H H 1 8.524 0.01 . 1 . . . . . . . . 5924 1 432 . 1 1 43 43 LEU CA C 13 57.661 0.1 . 1 . . . . . . . . 5924 1 433 . 1 1 43 43 LEU HB3 H 1 2.334 0.01 . 1 . . . . . . . . 5924 1 434 . 1 1 43 43 LEU HB2 H 1 2.334 0.01 . 1 . . . . . . . . 5924 1 435 . 1 1 43 43 LEU CD1 C 13 25.564 0.1 . 1 . . . . . . . . 5924 1 436 . 1 1 43 43 LEU HD11 H 1 1.066 0.01 . 1 . . . . . . . . 5924 1 437 . 1 1 43 43 LEU HD12 H 1 1.066 0.01 . 1 . . . . . . . . 5924 1 438 . 1 1 43 43 LEU HD13 H 1 1.066 0.01 . 1 . . . . . . . . 5924 1 439 . 1 1 43 43 LEU CD2 C 13 25.564 0.1 . 1 . . . . . . . . 5924 1 440 . 1 1 43 43 LEU HD21 H 1 1.066 0.01 . 1 . . . . . . . . 5924 1 441 . 1 1 43 43 LEU HD22 H 1 1.066 0.01 . 1 . . . . . . . . 5924 1 442 . 1 1 43 43 LEU HD23 H 1 1.066 0.01 . 1 . . . . . . . . 5924 1 443 . 1 1 44 44 ARG N N 15 119.560 0.1 . 1 . . . . . . . . 5924 1 444 . 1 1 44 44 ARG H H 1 8.575 0.01 . 1 . . . . . . . . 5924 1 445 . 1 1 44 44 ARG CA C 13 60.803 0.1 . 1 . . . . . . . . 5924 1 446 . 1 1 44 44 ARG HA H 1 4.127 0.01 . 1 . . . . . . . . 5924 1 447 . 1 1 44 44 ARG CB C 13 28.611 0.1 . 1 . . . . . . . . 5924 1 448 . 1 1 44 44 ARG HB3 H 1 1.893 0.01 . 1 . . . . . . . . 5924 1 449 . 1 1 44 44 ARG HB2 H 1 1.893 0.01 . 1 . . . . . . . . 5924 1 450 . 1 1 44 44 ARG HG3 H 1 1.593 0.01 . 1 . . . . . . . . 5924 1 451 . 1 1 44 44 ARG HG2 H 1 1.593 0.01 . 1 . . . . . . . . 5924 1 452 . 1 1 44 44 ARG CD C 13 42.820 0.1 . 1 . . . . . . . . 5924 1 453 . 1 1 44 44 ARG HD3 H 1 3.209 0.01 . 1 . . . . . . . . 5924 1 454 . 1 1 44 44 ARG HD2 H 1 3.209 0.01 . 1 . . . . . . . . 5924 1 455 . 1 1 45 45 THR N N 15 111.651 0.1 . 1 . . . . . . . . 5924 1 456 . 1 1 45 45 THR H H 1 8.044 0.01 . 1 . . . . . . . . 5924 1 457 . 1 1 45 45 THR CA C 13 66.540 0.1 . 1 . . . . . . . . 5924 1 458 . 1 1 45 45 THR HA H 1 3.952 0.01 . 1 . . . . . . . . 5924 1 459 . 1 1 45 45 THR CB C 13 69.018 0.1 . 1 . . . . . . . . 5924 1 460 . 1 1 45 45 THR CG2 C 13 21.875 0.1 . 1 . . . . . . . . 5924 1 461 . 1 1 45 45 THR HG21 H 1 1.241 0.01 . 1 . . . . . . . . 5924 1 462 . 1 1 45 45 THR HG22 H 1 1.241 0.01 . 1 . . . . . . . . 5924 1 463 . 1 1 45 45 THR HG23 H 1 1.241 0.01 . 1 . . . . . . . . 5924 1 464 . 1 1 46 46 LEU N N 15 118.032 0.1 . 1 . . . . . . . . 5924 1 465 . 1 1 46 46 LEU H H 1 7.408 0.01 . 1 . . . . . . . . 5924 1 466 . 1 1 46 46 LEU CA C 13 58.207 0.1 . 1 . . . . . . . . 5924 1 467 . 1 1 46 46 LEU HA H 1 4.258 0.01 . 1 . . . . . . . . 5924 1 468 . 1 1 46 46 LEU CB C 13 41.045 0.1 . 1 . . . . . . . . 5924 1 469 . 1 1 46 46 LEU CD1 C 13 27.340 0.1 . 1 . . . . . . . . 5924 1 470 . 1 1 46 46 LEU HD11 H 1 0.959 0.01 . 1 . . . . . . . . 5924 1 471 . 1 1 46 46 LEU HD12 H 1 0.959 0.01 . 1 . . . . . . . . 5924 1 472 . 1 1 46 46 LEU HD13 H 1 0.959 0.01 . 1 . . . . . . . . 5924 1 473 . 1 1 46 46 LEU CD2 C 13 27.340 0.1 . 1 . . . . . . . . 5924 1 474 . 1 1 46 46 LEU HD21 H 1 0.959 0.01 . 1 . . . . . . . . 5924 1 475 . 1 1 46 46 LEU HD22 H 1 0.959 0.01 . 1 . . . . . . . . 5924 1 476 . 1 1 46 46 LEU HD23 H 1 0.959 0.01 . 1 . . . . . . . . 5924 1 477 . 1 1 47 47 LEU N N 15 115.223 0.1 . 1 . . . . . . . . 5924 1 478 . 1 1 47 47 LEU H H 1 8.927 0.01 . 1 . . . . . . . . 5924 1 479 . 1 1 47 47 LEU CA C 13 59.093 0.1 . 1 . . . . . . . . 5924 1 480 . 1 1 47 47 LEU HA H 1 3.841 0.01 . 1 . . . . . . . . 5924 1 481 . 1 1 47 47 LEU CB C 13 40.786 0.1 . 1 . . . . . . . . 5924 1 482 . 1 1 47 47 LEU HB3 H 1 1.024 0.01 . 1 . . . . . . . . 5924 1 483 . 1 1 47 47 LEU HB2 H 1 1.024 0.01 . 1 . . . . . . . . 5924 1 484 . 1 1 47 47 LEU CG C 13 26.337 0.1 . 1 . . . . . . . . 5924 1 485 . 1 1 47 47 LEU HG H 1 1.024 0.01 . 1 . . . . . . . . 5924 1 486 . 1 1 47 47 LEU CD1 C 13 24.296 0.1 . 1 . . . . . . . . 5924 1 487 . 1 1 47 47 LEU HD11 H 1 0.848 0.01 . 1 . . . . . . . . 5924 1 488 . 1 1 47 47 LEU HD12 H 1 0.848 0.01 . 1 . . . . . . . . 5924 1 489 . 1 1 47 47 LEU HD13 H 1 0.848 0.01 . 1 . . . . . . . . 5924 1 490 . 1 1 47 47 LEU CD2 C 13 24.296 0.1 . 1 . . . . . . . . 5924 1 491 . 1 1 47 47 LEU HD21 H 1 0.848 0.01 . 1 . . . . . . . . 5924 1 492 . 1 1 47 47 LEU HD22 H 1 0.848 0.01 . 1 . . . . . . . . 5924 1 493 . 1 1 47 47 LEU HD23 H 1 0.848 0.01 . 1 . . . . . . . . 5924 1 494 . 1 1 48 48 ALA N N 15 118.165 0.1 . 1 . . . . . . . . 5924 1 495 . 1 1 48 48 ALA H H 1 8.449 0.01 . 1 . . . . . . . . 5924 1 496 . 1 1 48 48 ALA CA C 13 55.590 0.1 . 1 . . . . . . . . 5924 1 497 . 1 1 48 48 ALA HA H 1 4.149 0.01 . 1 . . . . . . . . 5924 1 498 . 1 1 48 48 ALA CB C 13 17.940 0.1 . 1 . . . . . . . . 5924 1 499 . 1 1 48 48 ALA HB1 H 1 1.563 0.01 . 1 . . . . . . . . 5924 1 500 . 1 1 48 48 ALA HB2 H 1 1.563 0.01 . 1 . . . . . . . . 5924 1 501 . 1 1 48 48 ALA HB3 H 1 1.563 0.01 . 1 . . . . . . . . 5924 1 502 . 1 1 49 49 THR N N 15 113.758 0.1 . 1 . . . . . . . . 5924 1 503 . 1 1 49 49 THR H H 1 8.131 0.01 . 1 . . . . . . . . 5924 1 504 . 1 1 49 49 THR CA C 13 66.179 0.1 . 1 . . . . . . . . 5924 1 505 . 1 1 49 49 THR HA H 1 4.477 0.01 . 1 . . . . . . . . 5924 1 506 . 1 1 49 49 THR CG2 C 13 23.023 0.1 . 1 . . . . . . . . 5924 1 507 . 1 1 49 49 THR HG21 H 1 1.111 0.01 . 1 . . . . . . . . 5924 1 508 . 1 1 49 49 THR HG22 H 1 1.111 0.01 . 1 . . . . . . . . 5924 1 509 . 1 1 49 49 THR HG23 H 1 1.111 0.01 . 1 . . . . . . . . 5924 1 510 . 1 1 50 50 VAL N N 15 120.862 0.1 . 1 . . . . . . . . 5924 1 511 . 1 1 50 50 VAL H H 1 8.446 0.01 . 1 . . . . . . . . 5924 1 512 . 1 1 50 50 VAL CA C 13 67.648 0.1 . 1 . . . . . . . . 5924 1 513 . 1 1 50 50 VAL HA H 1 3.406 0.01 . 1 . . . . . . . . 5924 1 514 . 1 1 50 50 VAL CB C 13 31.145 0.1 . 1 . . . . . . . . 5924 1 515 . 1 1 50 50 VAL HB H 1 2.219 0.01 . 1 . . . . . . . . 5924 1 516 . 1 1 50 50 VAL CG2 C 13 22.770 0.1 . 1 . . . . . . . . 5924 1 517 . 1 1 50 50 VAL HG21 H 1 0.848 0.01 . 1 . . . . . . . . 5924 1 518 . 1 1 50 50 VAL HG22 H 1 0.848 0.01 . 1 . . . . . . . . 5924 1 519 . 1 1 50 50 VAL HG23 H 1 0.848 0.01 . 1 . . . . . . . . 5924 1 520 . 1 1 50 50 VAL CG1 C 13 22.770 0.1 . 1 . . . . . . . . 5924 1 521 . 1 1 50 50 VAL HG11 H 1 0.848 0.01 . 1 . . . . . . . . 5924 1 522 . 1 1 50 50 VAL HG12 H 1 0.848 0.01 . 1 . . . . . . . . 5924 1 523 . 1 1 50 50 VAL HG13 H 1 0.848 0.01 . 1 . . . . . . . . 5924 1 524 . 1 1 51 51 ASP N N 15 118.165 0.1 . 1 . . . . . . . . 5924 1 525 . 1 1 51 51 ASP H H 1 8.449 0.01 . 1 . . . . . . . . 5924 1 526 . 1 1 51 51 ASP CA C 13 57.939 0.1 . 1 . . . . . . . . 5924 1 527 . 1 1 51 51 ASP HA H 1 4.434 0.01 . 1 . . . . . . . . 5924 1 528 . 1 1 51 51 ASP CB C 13 40.284 0.1 . 1 . . . . . . . . 5924 1 529 . 1 1 51 51 ASP HB3 H 1 2.873 0.01 . 2 . . . . . . . . 5924 1 530 . 1 1 51 51 ASP HB2 H 1 2.666 0.01 . 2 . . . . . . . . 5924 1 531 . 1 1 52 52 GLU N N 15 113.936 0.1 . 1 . . . . . . . . 5924 1 532 . 1 1 52 52 GLU H H 1 7.776 0.01 . 1 . . . . . . . . 5924 1 533 . 1 1 52 52 GLU CA C 13 58.354 0.1 . 1 . . . . . . . . 5924 1 534 . 1 1 52 52 GLU HA H 1 4.160 0.01 . 1 . . . . . . . . 5924 1 535 . 1 1 52 52 GLU CB C 13 30.127 0.1 . 1 . . . . . . . . 5924 1 536 . 1 1 52 52 GLU HB3 H 1 2.209 0.01 . 2 . . . . . . . . 5924 1 537 . 1 1 52 52 GLU HB2 H 1 2.235 0.01 . 2 . . . . . . . . 5924 1 538 . 1 1 52 52 GLU CG C 13 36.602 0.1 . 1 . . . . . . . . 5924 1 539 . 1 1 52 52 GLU HG3 H 1 2.501 0.01 . 2 . . . . . . . . 5924 1 540 . 1 1 52 52 GLU HG2 H 1 2.404 0.01 . 2 . . . . . . . . 5924 1 541 . 1 1 53 53 SER N N 15 110.679 0.1 . 1 . . . . . . . . 5924 1 542 . 1 1 53 53 SER H H 1 7.728 0.01 . 1 . . . . . . . . 5924 1 543 . 1 1 53 53 SER CA C 13 60.039 0.1 . 1 . . . . . . . . 5924 1 544 . 1 1 53 53 SER HA H 1 4.550 0.01 . 1 . . . . . . . . 5924 1 545 . 1 1 53 53 SER CB C 13 64.273 0.1 . 1 . . . . . . . . 5924 1 546 . 1 1 53 53 SER HB3 H 1 4.049 0.01 . 2 . . . . . . . . 5924 1 547 . 1 1 53 53 SER HB2 H 1 3.899 0.01 . 2 . . . . . . . . 5924 1 548 . 1 1 54 54 LEU N N 15 119.222 0.1 . 1 . . . . . . . . 5924 1 549 . 1 1 54 54 LEU H H 1 7.542 0.01 . 1 . . . . . . . . 5924 1 550 . 1 1 54 54 LEU CA C 13 59.582 0.1 . 1 . . . . . . . . 5924 1 551 . 1 1 54 54 LEU HA H 1 3.914 0.01 . 1 . . . . . . . . 5924 1 552 . 1 1 54 54 LEU CB C 13 40.232 0.1 . 1 . . . . . . . . 5924 1 553 . 1 1 54 54 LEU HB3 H 1 1.832 0.01 . 2 . . . . . . . . 5924 1 554 . 1 1 54 54 LEU HB2 H 1 1.116 0.01 . 2 . . . . . . . . 5924 1 555 . 1 1 55 55 PRO CA C 13 65.703 0.1 . 1 . . . . . . . . 5924 1 556 . 1 1 55 55 PRO CB C 13 31.908 0.1 . 1 . . . . . . . . 5924 1 557 . 1 1 55 55 PRO CG C 13 28.349 0.1 . 1 . . . . . . . . 5924 1 558 . 1 1 56 56 VAL N N 15 106.668 0.1 . 1 . . . . . . . . 5924 1 559 . 1 1 56 56 VAL H H 1 7.431 0.01 . 1 . . . . . . . . 5924 1 560 . 1 1 56 56 VAL CA C 13 61.505 0.1 . 1 . . . . . . . . 5924 1 561 . 1 1 56 56 VAL HA H 1 4.391 0.01 . 1 . . . . . . . . 5924 1 562 . 1 1 56 56 VAL CB C 13 31.906 0.1 . 1 . . . . . . . . 5924 1 563 . 1 1 56 56 VAL HB H 1 2.464 0.01 . 1 . . . . . . . . 5924 1 564 . 1 1 56 56 VAL CG2 C 13 20.221 0.1 . 1 . . . . . . . . 5924 1 565 . 1 1 56 56 VAL HG21 H 1 1.073 0.01 . 2 . . . . . . . . 5924 1 566 . 1 1 56 56 VAL HG22 H 1 1.073 0.01 . 2 . . . . . . . . 5924 1 567 . 1 1 56 56 VAL HG23 H 1 1.073 0.01 . 2 . . . . . . . . 5924 1 568 . 1 1 56 56 VAL CG1 C 13 21.498 0.1 . 1 . . . . . . . . 5924 1 569 . 1 1 56 56 VAL HG11 H 1 1.018 0.01 . 2 . . . . . . . . 5924 1 570 . 1 1 56 56 VAL HG12 H 1 1.018 0.01 . 2 . . . . . . . . 5924 1 571 . 1 1 56 56 VAL HG13 H 1 1.018 0.01 . 2 . . . . . . . . 5924 1 572 . 1 1 57 57 LEU N N 15 119.292 0.1 . 1 . . . . . . . . 5924 1 573 . 1 1 57 57 LEU H H 1 7.814 0.01 . 1 . . . . . . . . 5924 1 574 . 1 1 57 57 LEU CA C 13 52.670 0.1 . 1 . . . . . . . . 5924 1 575 . 1 1 57 57 LEU HA H 1 4.846 0.01 . 1 . . . . . . . . 5924 1 576 . 1 1 57 57 LEU CB C 13 41.515 0.1 . 1 . . . . . . . . 5924 1 577 . 1 1 57 57 LEU HB3 H 1 1.744 0.01 . 2 . . . . . . . . 5924 1 578 . 1 1 57 57 LEU HB2 H 1 1.432 0.01 . 2 . . . . . . . . 5924 1 579 . 1 1 57 57 LEU HD11 H 1 0.951 0.01 . 1 . . . . . . . . 5924 1 580 . 1 1 57 57 LEU HD12 H 1 0.951 0.01 . 1 . . . . . . . . 5924 1 581 . 1 1 57 57 LEU HD13 H 1 0.951 0.01 . 1 . . . . . . . . 5924 1 582 . 1 1 57 57 LEU HD21 H 1 0.951 0.01 . 1 . . . . . . . . 5924 1 583 . 1 1 57 57 LEU HD22 H 1 0.951 0.01 . 1 . . . . . . . . 5924 1 584 . 1 1 57 57 LEU HD23 H 1 0.951 0.01 . 1 . . . . . . . . 5924 1 585 . 1 1 60 60 SER CA C 13 60.543 0.1 . 1 . . . . . . . . 5924 1 586 . 1 1 60 60 SER HA H 1 4.257 0.01 . 1 . . . . . . . . 5924 1 587 . 1 1 60 60 SER HB3 H 1 3.996 0.01 . 1 . . . . . . . . 5924 1 588 . 1 1 60 60 SER HB2 H 1 3.996 0.01 . 1 . . . . . . . . 5924 1 589 . 1 1 61 61 THR N N 15 109.796 0.1 . 1 . . . . . . . . 5924 1 590 . 1 1 61 61 THR H H 1 8.054 0.01 . 1 . . . . . . . . 5924 1 591 . 1 1 61 61 THR CA C 13 62.970 0.1 . 1 . . . . . . . . 5924 1 592 . 1 1 61 61 THR HA H 1 4.427 0.01 . 1 . . . . . . . . 5924 1 593 . 1 1 61 61 THR HG21 H 1 1.292 0.01 . 1 . . . . . . . . 5924 1 594 . 1 1 61 61 THR HG22 H 1 1.292 0.01 . 1 . . . . . . . . 5924 1 595 . 1 1 61 61 THR HG23 H 1 1.292 0.01 . 1 . . . . . . . . 5924 1 596 . 1 1 62 62 HIS N N 15 117.280 0.1 . 1 . . . . . . . . 5924 1 597 . 1 1 62 62 HIS H H 1 7.696 0.01 . 1 . . . . . . . . 5924 1 598 . 1 1 62 62 HIS CA C 13 59.042 0.1 . 1 . . . . . . . . 5924 1 599 . 1 1 62 62 HIS HA H 1 4.230 0.01 . 1 . . . . . . . . 5924 1 600 . 1 1 62 62 HIS CB C 13 30.510 0.1 . 1 . . . . . . . . 5924 1 601 . 1 1 62 62 HIS HB3 H 1 3.259 0.01 . 1 . . . . . . . . 5924 1 602 . 1 1 62 62 HIS HB2 H 1 3.259 0.01 . 1 . . . . . . . . 5924 1 603 . 1 1 62 62 HIS CD2 C 13 121.154 0.1 . 1 . . . . . . . . 5924 1 604 . 1 1 62 62 HIS HD2 H 1 7.321 0.01 . 1 . . . . . . . . 5924 1 605 . 1 1 63 63 ARG N N 15 116.381 0.1 . 1 . . . . . . . . 5924 1 606 . 1 1 63 63 ARG H H 1 8.721 0.01 . 1 . . . . . . . . 5924 1 607 . 1 1 63 63 ARG CA C 13 59.691 0.1 . 1 . . . . . . . . 5924 1 608 . 1 1 64 64 GLU N N 15 115.935 0.1 . 1 . . . . . . . . 5924 1 609 . 1 1 64 64 GLU H H 1 8.235 0.01 . 1 . . . . . . . . 5924 1 610 . 1 1 64 64 GLU CA C 13 59.605 0.1 . 1 . . . . . . . . 5924 1 611 . 1 1 64 64 GLU HA H 1 4.100 0.01 . 1 . . . . . . . . 5924 1 612 . 1 1 64 64 GLU HB3 H 1 2.107 0.01 . 2 . . . . . . . . 5924 1 613 . 1 1 64 64 GLU HB2 H 1 2.197 0.01 . 2 . . . . . . . . 5924 1 614 . 1 1 64 64 GLU HG3 H 1 2.344 0.01 . 2 . . . . . . . . 5924 1 615 . 1 1 64 64 GLU HG2 H 1 2.407 0.01 . 2 . . . . . . . . 5924 1 616 . 1 1 65 65 ILE N N 15 117.978 0.1 . 1 . . . . . . . . 5924 1 617 . 1 1 65 65 ILE H H 1 7.755 0.01 . 1 . . . . . . . . 5924 1 618 . 1 1 65 65 ILE CA C 13 65.891 0.1 . 1 . . . . . . . . 5924 1 619 . 1 1 65 65 ILE HA H 1 3.564 0.01 . 1 . . . . . . . . 5924 1 620 . 1 1 65 65 ILE HB H 1 1.906 0.01 . 1 . . . . . . . . 5924 1 621 . 1 1 65 65 ILE HG13 H 1 0.936 0.01 . 1 . . . . . . . . 5924 1 622 . 1 1 65 65 ILE HG12 H 1 0.936 0.01 . 1 . . . . . . . . 5924 1 623 . 1 1 65 65 ILE HD11 H 1 0.771 0.01 . 1 . . . . . . . . 5924 1 624 . 1 1 65 65 ILE HD12 H 1 0.771 0.01 . 1 . . . . . . . . 5924 1 625 . 1 1 65 65 ILE HD13 H 1 0.771 0.01 . 1 . . . . . . . . 5924 1 626 . 1 1 65 65 ILE HG21 H 1 0.771 0.01 . 1 . . . . . . . . 5924 1 627 . 1 1 65 65 ILE HG22 H 1 0.771 0.01 . 1 . . . . . . . . 5924 1 628 . 1 1 65 65 ILE HG23 H 1 0.771 0.01 . 1 . . . . . . . . 5924 1 629 . 1 1 66 66 GLU N N 15 118.231 0.1 . 1 . . . . . . . . 5924 1 630 . 1 1 66 66 GLU H H 1 8.802 0.01 . 1 . . . . . . . . 5924 1 631 . 1 1 66 66 GLU CA C 13 59.824 0.1 . 1 . . . . . . . . 5924 1 632 . 1 1 66 66 GLU HA H 1 4.127 0.01 . 1 . . . . . . . . 5924 1 633 . 1 1 66 66 GLU CB C 13 29.370 0.1 . 1 . . . . . . . . 5924 1 634 . 1 1 66 66 GLU HB3 H 1 2.247 0.01 . 1 . . . . . . . . 5924 1 635 . 1 1 66 66 GLU HB2 H 1 2.247 0.01 . 1 . . . . . . . . 5924 1 636 . 1 1 66 66 GLU CG C 13 36.474 0.1 . 1 . . . . . . . . 5924 1 637 . 1 1 66 66 GLU HG3 H 1 2.466 0.01 . 1 . . . . . . . . 5924 1 638 . 1 1 66 66 GLU HG2 H 1 2.466 0.01 . 1 . . . . . . . . 5924 1 639 . 1 1 67 67 MET N N 15 114.916 0.1 . 1 . . . . . . . . 5924 1 640 . 1 1 67 67 MET H H 1 8.370 0.01 . 1 . . . . . . . . 5924 1 641 . 1 1 67 67 MET CA C 13 58.373 0.1 . 1 . . . . . . . . 5924 1 642 . 1 1 67 67 MET HA H 1 4.266 0.01 . 1 . . . . . . . . 5924 1 643 . 1 1 67 67 MET CB C 13 32.422 0.1 . 1 . . . . . . . . 5924 1 644 . 1 1 67 67 MET HB3 H 1 2.213 0.01 . 1 . . . . . . . . 5924 1 645 . 1 1 67 67 MET HB2 H 1 2.213 0.01 . 1 . . . . . . . . 5924 1 646 . 1 1 67 67 MET CG C 13 32.422 0.1 . 1 . . . . . . . . 5924 1 647 . 1 1 67 67 MET HG3 H 1 2.808 0.01 . 2 . . . . . . . . 5924 1 648 . 1 1 67 67 MET HG2 H 1 2.721 0.01 . 2 . . . . . . . . 5924 1 649 . 1 1 68 68 ALA N N 15 119.897 0.1 . 1 . . . . . . . . 5924 1 650 . 1 1 68 68 ALA H H 1 7.804 0.01 . 1 . . . . . . . . 5924 1 651 . 1 1 68 68 ALA CA C 13 54.974 0.1 . 1 . . . . . . . . 5924 1 652 . 1 1 68 68 ALA HA H 1 4.238 0.01 . 1 . . . . . . . . 5924 1 653 . 1 1 68 68 ALA CB C 13 18.708 0.1 . 1 . . . . . . . . 5924 1 654 . 1 1 68 68 ALA HB1 H 1 1.635 0.01 . 1 . . . . . . . . 5924 1 655 . 1 1 68 68 ALA HB2 H 1 1.635 0.01 . 1 . . . . . . . . 5924 1 656 . 1 1 68 68 ALA HB3 H 1 1.635 0.01 . 1 . . . . . . . . 5924 1 657 . 1 1 69 69 GLN N N 15 114.329 0.1 . 1 . . . . . . . . 5924 1 658 . 1 1 69 69 GLN H H 1 8.303 0.01 . 1 . . . . . . . . 5924 1 659 . 1 1 69 69 GLN CA C 13 60.079 0.1 . 1 . . . . . . . . 5924 1 660 . 1 1 69 69 GLN HA H 1 4.105 0.01 . 1 . . . . . . . . 5924 1 661 . 1 1 69 69 GLN CB C 13 30.384 0.1 . 1 . . . . . . . . 5924 1 662 . 1 1 69 69 GLN HB3 H 1 1.854 0.01 . 1 . . . . . . . . 5924 1 663 . 1 1 69 69 GLN HB2 H 1 1.854 0.01 . 1 . . . . . . . . 5924 1 664 . 1 1 69 69 GLN CG C 13 35.716 0.1 . 1 . . . . . . . . 5924 1 665 . 1 1 69 69 GLN HG3 H 1 2.859 0.01 . 1 . . . . . . . . 5924 1 666 . 1 1 69 69 GLN HG2 H 1 2.859 0.01 . 1 . . . . . . . . 5924 1 667 . 1 1 70 70 LYS N N 15 116.598 0.1 . 1 . . . . . . . . 5924 1 668 . 1 1 70 70 LYS H H 1 8.107 0.01 . 1 . . . . . . . . 5924 1 669 . 1 1 70 70 LYS CA C 13 59.813 0.1 . 1 . . . . . . . . 5924 1 670 . 1 1 71 71 LEU N N 15 117.047 0.1 . 1 . . . . . . . . 5924 1 671 . 1 1 71 71 LEU H H 1 7.754 0.01 . 1 . . . . . . . . 5924 1 672 . 1 1 71 71 LEU CA C 13 57.763 0.1 . 1 . . . . . . . . 5924 1 673 . 1 1 71 71 LEU HA H 1 4.127 0.01 . 1 . . . . . . . . 5924 1 674 . 1 1 71 71 LEU CB C 13 41.807 0.1 . 1 . . . . . . . . 5924 1 675 . 1 1 71 71 LEU HB3 H 1 1.895 0.01 . 1 . . . . . . . . 5924 1 676 . 1 1 71 71 LEU HB2 H 1 1.895 0.01 . 1 . . . . . . . . 5924 1 677 . 1 1 71 71 LEU CG C 13 27.089 0.1 . 1 . . . . . . . . 5924 1 678 . 1 1 71 71 LEU HG H 1 1.699 0.01 . 1 . . . . . . . . 5924 1 679 . 1 1 71 71 LEU CD1 C 13 24.798 0.1 . 1 . . . . . . . . 5924 1 680 . 1 1 71 71 LEU HD11 H 1 0.917 0.01 . 1 . . . . . . . . 5924 1 681 . 1 1 71 71 LEU HD12 H 1 0.917 0.01 . 1 . . . . . . . . 5924 1 682 . 1 1 71 71 LEU HD13 H 1 0.917 0.01 . 1 . . . . . . . . 5924 1 683 . 1 1 71 71 LEU CD2 C 13 24.043 0.1 . 1 . . . . . . . . 5924 1 684 . 1 1 71 71 LEU HD21 H 1 0.917 0.01 . 1 . . . . . . . . 5924 1 685 . 1 1 71 71 LEU HD22 H 1 0.917 0.01 . 1 . . . . . . . . 5924 1 686 . 1 1 71 71 LEU HD23 H 1 0.917 0.01 . 1 . . . . . . . . 5924 1 687 . 1 1 72 72 LEU N N 15 114.370 0.1 . 1 . . . . . . . . 5924 1 688 . 1 1 72 72 LEU H H 1 7.268 0.01 . 1 . . . . . . . . 5924 1 689 . 1 1 72 72 LEU CA C 13 58.060 0.1 . 1 . . . . . . . . 5924 1 690 . 1 1 72 72 LEU HA H 1 4.196 0.01 . 1 . . . . . . . . 5924 1 691 . 1 1 72 72 LEU CB C 13 41.044 0.1 . 1 . . . . . . . . 5924 1 692 . 1 1 72 72 LEU HB3 H 1 1.857 0.01 . 1 . . . . . . . . 5924 1 693 . 1 1 72 72 LEU HB2 H 1 1.857 0.01 . 1 . . . . . . . . 5924 1 694 . 1 1 72 72 LEU CG C 13 27.593 0.1 . 1 . . . . . . . . 5924 1 695 . 1 1 72 72 LEU HG H 1 1.524 0.01 . 1 . . . . . . . . 5924 1 696 . 1 1 72 72 LEU CD1 C 13 25.310 0.1 . 1 . . . . . . . . 5924 1 697 . 1 1 72 72 LEU HD11 H 1 0.905 0.01 . 1 . . . . . . . . 5924 1 698 . 1 1 72 72 LEU HD12 H 1 0.905 0.01 . 1 . . . . . . . . 5924 1 699 . 1 1 72 72 LEU HD13 H 1 0.905 0.01 . 1 . . . . . . . . 5924 1 700 . 1 1 72 72 LEU CD2 C 13 25.310 0.1 . 1 . . . . . . . . 5924 1 701 . 1 1 72 72 LEU HD21 H 1 0.905 0.01 . 1 . . . . . . . . 5924 1 702 . 1 1 72 72 LEU HD22 H 1 0.905 0.01 . 1 . . . . . . . . 5924 1 703 . 1 1 72 72 LEU HD23 H 1 0.905 0.01 . 1 . . . . . . . . 5924 1 704 . 1 1 73 73 ASN N N 15 115.180 0.1 . 1 . . . . . . . . 5924 1 705 . 1 1 73 73 ASN H H 1 7.618 0.01 . 1 . . . . . . . . 5924 1 706 . 1 1 73 73 ASN CA C 13 56.020 0.1 . 1 . . . . . . . . 5924 1 707 . 1 1 73 73 ASN HA H 1 4.458 0.01 . 1 . . . . . . . . 5924 1 708 . 1 1 73 73 ASN CB C 13 37.745 0.1 . 1 . . . . . . . . 5924 1 709 . 1 1 73 73 ASN HB3 H 1 2.600 0.01 . 2 . . . . . . . . 5924 1 710 . 1 1 73 73 ASN HB2 H 1 2.897 0.01 . 2 . . . . . . . . 5924 1 711 . 1 1 74 74 SER N N 15 114.328 0.1 . 1 . . . . . . . . 5924 1 712 . 1 1 74 74 SER H H 1 8.313 0.01 . 1 . . . . . . . . 5924 1 713 . 1 1 74 74 SER CA C 13 61.882 0.1 . 1 . . . . . . . . 5924 1 714 . 1 1 74 74 SER HA H 1 4.259 0.01 . 1 . . . . . . . . 5924 1 715 . 1 1 74 74 SER HB3 H 1 4.106 0.01 . 1 . . . . . . . . 5924 1 716 . 1 1 74 74 SER HB2 H 1 4.106 0.01 . 1 . . . . . . . . 5924 1 717 . 1 1 75 75 ASP N N 15 120.042 0.1 . 1 . . . . . . . . 5924 1 718 . 1 1 75 75 ASP H H 1 8.710 0.01 . 1 . . . . . . . . 5924 1 719 . 1 1 75 75 ASP CA C 13 56.030 0.1 . 1 . . . . . . . . 5924 1 720 . 1 1 75 75 ASP HA H 1 4.475 0.01 . 1 . . . . . . . . 5924 1 721 . 1 1 75 75 ASP CB C 13 38.506 0.1 . 1 . . . . . . . . 5924 1 722 . 1 1 75 75 ASP HB3 H 1 3.348 0.01 . 1 . . . . . . . . 5924 1 723 . 1 1 75 75 ASP HB2 H 1 3.348 0.01 . 1 . . . . . . . . 5924 1 724 . 1 1 76 76 LEU N N 15 119.138 0.1 . 1 . . . . . . . . 5924 1 725 . 1 1 76 76 LEU H H 1 8.448 0.01 . 1 . . . . . . . . 5924 1 726 . 1 1 76 76 LEU CA C 13 57.702 0.1 . 1 . . . . . . . . 5924 1 727 . 1 1 76 76 LEU HA H 1 4.082 0.01 . 1 . . . . . . . . 5924 1 728 . 1 1 76 76 LEU CB C 13 40.699 0.1 . 1 . . . . . . . . 5924 1 729 . 1 1 76 76 LEU HB3 H 1 2.066 0.01 . 1 . . . . . . . . 5924 1 730 . 1 1 76 76 LEU HB2 H 1 2.066 0.01 . 1 . . . . . . . . 5924 1 731 . 1 1 76 76 LEU CG C 13 27.242 0.1 . 1 . . . . . . . . 5924 1 732 . 1 1 76 76 LEU HG H 1 1.048 0.01 . 1 . . . . . . . . 5924 1 733 . 1 1 76 76 LEU CD1 C 13 23.533 0.1 . 1 . . . . . . . . 5924 1 734 . 1 1 76 76 LEU HD11 H 1 0.884 0.01 . 1 . . . . . . . . 5924 1 735 . 1 1 76 76 LEU HD12 H 1 0.884 0.01 . 1 . . . . . . . . 5924 1 736 . 1 1 76 76 LEU HD13 H 1 0.884 0.01 . 1 . . . . . . . . 5924 1 737 . 1 1 76 76 LEU CD2 C 13 23.533 0.1 . 1 . . . . . . . . 5924 1 738 . 1 1 76 76 LEU HD21 H 1 0.884 0.01 . 1 . . . . . . . . 5924 1 739 . 1 1 76 76 LEU HD22 H 1 0.884 0.01 . 1 . . . . . . . . 5924 1 740 . 1 1 76 76 LEU HD23 H 1 0.884 0.01 . 1 . . . . . . . . 5924 1 741 . 1 1 77 77 ALA N N 15 118.904 0.1 . 1 . . . . . . . . 5924 1 742 . 1 1 77 77 ALA H H 1 8.666 0.01 . 1 . . . . . . . . 5924 1 743 . 1 1 77 77 ALA CA C 13 55.736 0.1 . 1 . . . . . . . . 5924 1 744 . 1 1 77 77 ALA HA H 1 3.992 0.01 . 1 . . . . . . . . 5924 1 745 . 1 1 77 77 ALA CB C 13 17.947 0.1 . 1 . . . . . . . . 5924 1 746 . 1 1 77 77 ALA HB1 H 1 1.597 0.01 . 1 . . . . . . . . 5924 1 747 . 1 1 77 77 ALA HB2 H 1 1.597 0.01 . 1 . . . . . . . . 5924 1 748 . 1 1 77 77 ALA HB3 H 1 1.597 0.01 . 1 . . . . . . . . 5924 1 749 . 1 1 78 78 GLU N N 15 115.957 0.1 . 1 . . . . . . . . 5924 1 750 . 1 1 78 78 GLU H H 1 8.031 0.01 . 1 . . . . . . . . 5924 1 751 . 1 1 78 78 GLU CA C 13 59.071 0.1 . 1 . . . . . . . . 5924 1 752 . 1 1 78 78 GLU HA H 1 4.338 0.01 . 1 . . . . . . . . 5924 1 753 . 1 1 78 78 GLU CB C 13 29.367 0.1 . 1 . . . . . . . . 5924 1 754 . 1 1 78 78 GLU HB3 H 1 2.300 0.01 . 1 . . . . . . . . 5924 1 755 . 1 1 78 78 GLU HB2 H 1 2.300 0.01 . 1 . . . . . . . . 5924 1 756 . 1 1 78 78 GLU CG C 13 35.705 0.1 . 1 . . . . . . . . 5924 1 757 . 1 1 78 78 GLU HG3 H 1 2.447 0.01 . 1 . . . . . . . . 5924 1 758 . 1 1 78 78 GLU HG2 H 1 2.447 0.01 . 1 . . . . . . . . 5924 1 759 . 1 1 79 79 LEU N N 15 118.045 0.1 . 1 . . . . . . . . 5924 1 760 . 1 1 79 79 LEU H H 1 8.006 0.01 . 1 . . . . . . . . 5924 1 761 . 1 1 79 79 LEU CA C 13 59.154 0.1 . 1 . . . . . . . . 5924 1 762 . 1 1 80 80 ILE N N 15 115.574 0.1 . 1 . . . . . . . . 5924 1 763 . 1 1 80 80 ILE H H 1 8.653 0.01 . 1 . . . . . . . . 5924 1 764 . 1 1 80 80 ILE CA C 13 66.171 0.1 . 1 . . . . . . . . 5924 1 765 . 1 1 81 81 ASN N N 15 116.098 0.1 . 1 . . . . . . . . 5924 1 766 . 1 1 81 81 ASN H H 1 8.448 0.01 . 1 . . . . . . . . 5924 1 767 . 1 1 81 81 ASN CA C 13 56.779 0.1 . 1 . . . . . . . . 5924 1 768 . 1 1 81 81 ASN HA H 1 4.438 0.01 . 1 . . . . . . . . 5924 1 769 . 1 1 81 81 ASN CB C 13 38.579 0.1 . 1 . . . . . . . . 5924 1 770 . 1 1 81 81 ASN HB3 H 1 3.077 0.01 . 2 . . . . . . . . 5924 1 771 . 1 1 81 81 ASN HB2 H 1 2.903 0.01 . 2 . . . . . . . . 5924 1 772 . 1 1 81 81 ASN ND2 N 15 112.739 0.1 . 1 . . . . . . . . 5924 1 773 . 1 1 81 81 ASN HD21 H 1 7.557 0.01 . 2 . . . . . . . . 5924 1 774 . 1 1 81 81 ASN HD22 H 1 6.847 0.01 . 2 . . . . . . . . 5924 1 775 . 1 1 82 82 LYS N N 15 114.085 0.1 . 1 . . . . . . . . 5924 1 776 . 1 1 82 82 LYS H H 1 8.602 0.01 . 1 . . . . . . . . 5924 1 777 . 1 1 82 82 LYS CA C 13 57.560 0.1 . 1 . . . . . . . . 5924 1 778 . 1 1 82 82 LYS HA H 1 4.140 0.01 . 1 . . . . . . . . 5924 1 779 . 1 1 83 83 MET N N 15 118.967 0.1 . 1 . . . . . . . . 5924 1 780 . 1 1 83 83 MET H H 1 8.527 0.01 . 1 . . . . . . . . 5924 1 781 . 1 1 83 83 MET CA C 13 59.582 0.1 . 1 . . . . . . . . 5924 1 782 . 1 1 83 83 MET HA H 1 4.520 0.01 . 1 . . . . . . . . 5924 1 783 . 1 1 83 83 MET CB C 13 31.662 0.1 . 1 . . . . . . . . 5924 1 784 . 1 1 83 83 MET HB3 H 1 2.426 0.01 . 1 . . . . . . . . 5924 1 785 . 1 1 83 83 MET HB2 H 1 2.426 0.01 . 1 . . . . . . . . 5924 1 786 . 1 1 83 83 MET CG C 13 31.662 0.1 . 1 . . . . . . . . 5924 1 787 . 1 1 83 83 MET HG3 H 1 2.553 0.01 . 1 . . . . . . . . 5924 1 788 . 1 1 83 83 MET HG2 H 1 2.553 0.01 . 1 . . . . . . . . 5924 1 789 . 1 1 83 83 MET HE1 H 1 1.811 0.01 . 1 . . . . . . . . 5924 1 790 . 1 1 83 83 MET HE2 H 1 1.811 0.01 . 1 . . . . . . . . 5924 1 791 . 1 1 83 83 MET HE3 H 1 1.811 0.01 . 1 . . . . . . . . 5924 1 792 . 1 1 84 84 LYS N N 15 115.405 0.1 . 1 . . . . . . . . 5924 1 793 . 1 1 84 84 LYS H H 1 8.389 0.01 . 1 . . . . . . . . 5924 1 794 . 1 1 84 84 LYS CA C 13 59.945 0.1 . 1 . . . . . . . . 5924 1 795 . 1 1 84 84 LYS HA H 1 4.127 0.01 . 1 . . . . . . . . 5924 1 796 . 1 1 84 84 LYS CB C 13 32.161 0.1 . 1 . . . . . . . . 5924 1 797 . 1 1 84 84 LYS HB3 H 1 1.940 0.01 . 1 . . . . . . . . 5924 1 798 . 1 1 84 84 LYS HB2 H 1 1.940 0.01 . 1 . . . . . . . . 5924 1 799 . 1 1 84 84 LYS CG C 13 26.430 0.1 . 1 . . . . . . . . 5924 1 800 . 1 1 84 84 LYS HG3 H 1 1.810 0.01 . 1 . . . . . . . . 5924 1 801 . 1 1 84 84 LYS HG2 H 1 1.810 0.01 . 1 . . . . . . . . 5924 1 802 . 1 1 84 84 LYS CD C 13 29.879 0.1 . 1 . . . . . . . . 5924 1 803 . 1 1 84 84 LYS HD3 H 1 1.459 0.01 . 1 . . . . . . . . 5924 1 804 . 1 1 84 84 LYS HD2 H 1 1.459 0.01 . 1 . . . . . . . . 5924 1 805 . 1 1 85 85 LEU N N 15 117.775 0.1 . 1 . . . . . . . . 5924 1 806 . 1 1 85 85 LEU H H 1 7.576 0.01 . 1 . . . . . . . . 5924 1 807 . 1 1 85 85 LEU CA C 13 58.074 0.1 . 1 . . . . . . . . 5924 1 808 . 1 1 85 85 LEU HA H 1 3.908 0.01 . 1 . . . . . . . . 5924 1 809 . 1 1 85 85 LEU CB C 13 40.784 0.1 . 1 . . . . . . . . 5924 1 810 . 1 1 85 85 LEU HB3 H 1 1.460 0.01 . 1 . . . . . . . . 5924 1 811 . 1 1 85 85 LEU HB2 H 1 1.460 0.01 . 1 . . . . . . . . 5924 1 812 . 1 1 85 85 LEU CG C 13 26.075 0.1 . 1 . . . . . . . . 5924 1 813 . 1 1 85 85 LEU HG H 1 1.023 0.01 . 1 . . . . . . . . 5924 1 814 . 1 1 85 85 LEU CD1 C 13 24.301 0.1 . 1 . . . . . . . . 5924 1 815 . 1 1 85 85 LEU HD11 H 1 0.804 0.01 . 1 . . . . . . . . 5924 1 816 . 1 1 85 85 LEU HD12 H 1 0.804 0.01 . 1 . . . . . . . . 5924 1 817 . 1 1 85 85 LEU HD13 H 1 0.804 0.01 . 1 . . . . . . . . 5924 1 818 . 1 1 85 85 LEU CD2 C 13 23.029 0.1 . 1 . . . . . . . . 5924 1 819 . 1 1 85 85 LEU HD21 H 1 0.804 0.01 . 1 . . . . . . . . 5924 1 820 . 1 1 85 85 LEU HD22 H 1 0.804 0.01 . 1 . . . . . . . . 5924 1 821 . 1 1 85 85 LEU HD23 H 1 0.804 0.01 . 1 . . . . . . . . 5924 1 822 . 1 1 86 86 ALA N N 15 118.464 0.1 . 1 . . . . . . . . 5924 1 823 . 1 1 86 86 ALA H H 1 8.423 0.01 . 1 . . . . . . . . 5924 1 824 . 1 1 86 86 ALA CA C 13 56.183 0.1 . 1 . . . . . . . . 5924 1 825 . 1 1 86 86 ALA HA H 1 4.097 0.01 . 1 . . . . . . . . 5924 1 826 . 1 1 86 86 ALA CB C 13 17.952 0.1 . 1 . . . . . . . . 5924 1 827 . 1 1 86 86 ALA HB1 H 1 1.662 0.01 . 1 . . . . . . . . 5924 1 828 . 1 1 86 86 ALA HB2 H 1 1.662 0.01 . 1 . . . . . . . . 5924 1 829 . 1 1 86 86 ALA HB3 H 1 1.662 0.01 . 1 . . . . . . . . 5924 1 830 . 1 1 87 87 GLN N N 15 110.269 0.1 . 1 . . . . . . . . 5924 1 831 . 1 1 87 87 GLN H H 1 8.009 0.01 . 1 . . . . . . . . 5924 1 832 . 1 1 87 87 GLN CA C 13 58.645 0.1 . 1 . . . . . . . . 5924 1 833 . 1 1 87 87 GLN CB C 13 29.357 0.1 . 1 . . . . . . . . 5924 1 834 . 1 1 87 87 GLN HB3 H 1 2.155 0.01 . 1 . . . . . . . . 5924 1 835 . 1 1 87 87 GLN HB2 H 1 2.155 0.01 . 1 . . . . . . . . 5924 1 836 . 1 1 87 87 GLN CG C 13 35.210 0.1 . 1 . . . . . . . . 5924 1 837 . 1 1 87 87 GLN HG3 H 1 2.754 0.01 . 1 . . . . . . . . 5924 1 838 . 1 1 87 87 GLN HG2 H 1 2.754 0.01 . 1 . . . . . . . . 5924 1 839 . 1 1 88 88 GLN N N 15 116.537 0.1 . 1 . . . . . . . . 5924 1 840 . 1 1 88 88 GLN H H 1 8.042 0.01 . 1 . . . . . . . . 5924 1 841 . 1 1 88 88 GLN CA C 13 58.060 0.1 . 1 . . . . . . . . 5924 1 842 . 1 1 88 88 GLN HA H 1 4.001 0.01 . 1 . . . . . . . . 5924 1 843 . 1 1 88 88 GLN CB C 13 29.037 0.1 . 1 . . . . . . . . 5924 1 844 . 1 1 88 88 GLN HB3 H 1 2.079 0.01 . 2 . . . . . . . . 5924 1 845 . 1 1 88 88 GLN HB2 H 1 1.883 0.01 . 2 . . . . . . . . 5924 1 846 . 1 1 88 88 GLN CG C 13 33.624 0.1 . 1 . . . . . . . . 5924 1 847 . 1 1 88 88 GLN HG3 H 1 2.232 0.01 . 1 . . . . . . . . 5924 1 848 . 1 1 88 88 GLN HG2 H 1 2.232 0.01 . 1 . . . . . . . . 5924 1 849 . 1 1 88 88 GLN NE2 N 15 112.540 0.1 . 1 . . . . . . . . 5924 1 850 . 1 1 88 88 GLN HE21 H 1 7.534 0.01 . 2 . . . . . . . . 5924 1 851 . 1 1 88 88 GLN HE22 H 1 7.067 0.01 . 2 . . . . . . . . 5924 1 852 . 1 1 89 89 TYR N N 15 113.071 0.1 . 1 . . . . . . . . 5924 1 853 . 1 1 89 89 TYR H H 1 7.871 0.01 . 1 . . . . . . . . 5924 1 854 . 1 1 89 89 TYR CA C 13 58.646 0.1 . 1 . . . . . . . . 5924 1 855 . 1 1 89 89 TYR CD1 C 13 131.500 0.1 . 1 . . . . . . . . 5924 1 856 . 1 1 89 89 TYR HD1 H 1 6.930 0.01 . 1 . . . . . . . . 5924 1 857 . 1 1 89 89 TYR CE1 C 13 118.600 0.1 . 1 . . . . . . . . 5924 1 858 . 1 1 89 89 TYR HE1 H 1 6.531 0.01 . 1 . . . . . . . . 5924 1 859 . 1 1 89 89 TYR CE2 C 13 118.600 0.1 . 1 . . . . . . . . 5924 1 860 . 1 1 89 89 TYR HE2 H 1 6.531 0.01 . 1 . . . . . . . . 5924 1 861 . 1 1 89 89 TYR CD2 C 13 131.500 0.1 . 1 . . . . . . . . 5924 1 862 . 1 1 89 89 TYR HD2 H 1 6.930 0.01 . 1 . . . . . . . . 5924 1 863 . 1 1 90 90 VAL N N 15 117.071 0.1 . 1 . . . . . . . . 5924 1 864 . 1 1 90 90 VAL H H 1 7.225 0.01 . 1 . . . . . . . . 5924 1 865 . 1 1 90 90 VAL CA C 13 63.685 0.1 . 1 . . . . . . . . 5924 1 866 . 1 1 90 90 VAL HA H 1 4.120 0.01 . 1 . . . . . . . . 5924 1 867 . 1 1 90 90 VAL CB C 13 32.313 0.1 . 1 . . . . . . . . 5924 1 868 . 1 1 90 90 VAL HB H 1 2.398 0.01 . 1 . . . . . . . . 5924 1 869 . 1 1 90 90 VAL CG2 C 13 21.118 0.1 . 1 . . . . . . . . 5924 1 870 . 1 1 90 90 VAL CG1 C 13 21.118 0.1 . 1 . . . . . . . . 5924 1 871 . 1 1 91 91 MET N N 15 115.041 0.1 . 1 . . . . . . . . 5924 1 872 . 1 1 91 91 MET H H 1 8.576 0.01 . 1 . . . . . . . . 5924 1 873 . 1 1 91 91 MET CA C 13 56.657 0.1 . 1 . . . . . . . . 5924 1 874 . 1 1 94 94 LEU N N 15 118.662 0.1 . 1 . . . . . . . . 5924 1 875 . 1 1 94 94 LEU H H 1 7.805 0.01 . 1 . . . . . . . . 5924 1 876 . 1 1 94 94 LEU CA C 13 56.224 0.1 . 1 . . . . . . . . 5924 1 877 . 1 1 95 95 GLN N N 15 116.869 0.1 . 1 . . . . . . . . 5924 1 878 . 1 1 95 95 GLN H H 1 7.817 0.01 . 1 . . . . . . . . 5924 1 879 . 1 1 95 95 GLN CA C 13 60.843 0.1 . 1 . . . . . . . . 5924 1 880 . 1 1 95 95 GLN HA H 1 4.458 0.01 . 1 . . . . . . . . 5924 1 881 . 1 1 95 95 GLN CB C 13 28.349 0.1 . 1 . . . . . . . . 5924 1 882 . 1 1 95 95 GLN HB3 H 1 2.554 0.01 . 1 . . . . . . . . 5924 1 883 . 1 1 95 95 GLN HB2 H 1 2.554 0.01 . 1 . . . . . . . . 5924 1 884 . 1 1 95 95 GLN CG C 13 34.188 0.1 . 1 . . . . . . . . 5924 1 885 . 1 1 95 95 GLN HG3 H 1 2.772 0.01 . 1 . . . . . . . . 5924 1 886 . 1 1 95 95 GLN HG2 H 1 2.772 0.01 . 1 . . . . . . . . 5924 1 887 . 1 1 95 95 GLN NE2 N 15 113.245 0.1 . 1 . . . . . . . . 5924 1 888 . 1 1 95 95 GLN HE21 H 1 7.523 0.01 . 2 . . . . . . . . 5924 1 889 . 1 1 95 95 GLN HE22 H 1 6.859 0.01 . 2 . . . . . . . . 5924 1 890 . 1 1 96 96 GLN N N 15 112.573 0.1 . 1 . . . . . . . . 5924 1 891 . 1 1 96 96 GLN H H 1 8.188 0.01 . 1 . . . . . . . . 5924 1 892 . 1 1 96 96 GLN CA C 13 58.812 0.1 . 1 . . . . . . . . 5924 1 893 . 1 1 96 96 GLN HA H 1 4.126 0.01 . 1 . . . . . . . . 5924 1 894 . 1 1 96 96 GLN CB C 13 29.364 0.1 . 1 . . . . . . . . 5924 1 895 . 1 1 96 96 GLN HB3 H 1 2.284 0.01 . 2 . . . . . . . . 5924 1 896 . 1 1 96 96 GLN HB2 H 1 2.208 0.01 . 2 . . . . . . . . 5924 1 897 . 1 1 96 96 GLN CG C 13 35.973 0.1 . 1 . . . . . . . . 5924 1 898 . 1 1 96 96 GLN HG3 H 1 2.553 0.01 . 1 . . . . . . . . 5924 1 899 . 1 1 96 96 GLN HG2 H 1 2.553 0.01 . 1 . . . . . . . . 5924 1 900 . 1 1 97 97 GLU N N 15 117.308 0.1 . 1 . . . . . . . . 5924 1 901 . 1 1 97 97 GLU H H 1 7.399 0.01 . 1 . . . . . . . . 5924 1 902 . 1 1 97 97 GLU CA C 13 58.600 0.1 . 1 . . . . . . . . 5924 1 903 . 1 1 97 97 GLU HA H 1 4.127 0.01 . 1 . . . . . . . . 5924 1 904 . 1 1 97 97 GLU CB C 13 28.864 0.1 . 1 . . . . . . . . 5924 1 905 . 1 1 97 97 GLU HB3 H 1 1.934 0.01 . 2 . . . . . . . . 5924 1 906 . 1 1 97 97 GLU HB2 H 1 1.774 0.01 . 2 . . . . . . . . 5924 1 907 . 1 1 97 97 GLU CG C 13 34.950 0.1 . 1 . . . . . . . . 5924 1 908 . 1 1 97 97 GLU HG3 H 1 2.116 0.01 . 2 . . . . . . . . 5924 1 909 . 1 1 97 97 GLU HG2 H 1 1.920 0.01 . 2 . . . . . . . . 5924 1 910 . 1 1 98 98 TYR N N 15 114.494 0.1 . 1 . . . . . . . . 5924 1 911 . 1 1 98 98 TYR H H 1 7.930 0.01 . 1 . . . . . . . . 5924 1 912 . 1 1 98 98 TYR CA C 13 62.255 0.1 . 1 . . . . . . . . 5924 1 913 . 1 1 98 98 TYR HA H 1 4.394 0.01 . 1 . . . . . . . . 5924 1 914 . 1 1 98 98 TYR CB C 13 37.199 0.1 . 1 . . . . . . . . 5924 1 915 . 1 1 98 98 TYR HB3 H 1 3.298 0.01 . 2 . . . . . . . . 5924 1 916 . 1 1 98 98 TYR HB2 H 1 2.686 0.01 . 2 . . . . . . . . 5924 1 917 . 1 1 98 98 TYR CD1 C 13 133.200 0.1 . 1 . . . . . . . . 5924 1 918 . 1 1 98 98 TYR HD1 H 1 7.358 0.01 . 1 . . . . . . . . 5924 1 919 . 1 1 98 98 TYR CE1 C 13 117.760 0.1 . 1 . . . . . . . . 5924 1 920 . 1 1 98 98 TYR HE1 H 1 6.765 0.01 . 1 . . . . . . . . 5924 1 921 . 1 1 98 98 TYR CE2 C 13 117.760 0.1 . 1 . . . . . . . . 5924 1 922 . 1 1 98 98 TYR HE2 H 1 6.765 0.01 . 1 . . . . . . . . 5924 1 923 . 1 1 98 98 TYR CD2 C 13 133.200 0.1 . 1 . . . . . . . . 5924 1 924 . 1 1 98 98 TYR HD2 H 1 7.358 0.01 . 1 . . . . . . . . 5924 1 925 . 1 1 99 99 LYS N N 15 118.457 0.1 . 1 . . . . . . . . 5924 1 926 . 1 1 99 99 LYS H H 1 8.373 0.01 . 1 . . . . . . . . 5924 1 927 . 1 1 99 99 LYS CA C 13 60.765 0.1 . 1 . . . . . . . . 5924 1 928 . 1 1 100 100 LYS N N 15 116.295 0.1 . 1 . . . . . . . . 5924 1 929 . 1 1 100 100 LYS H H 1 7.802 0.01 . 1 . . . . . . . . 5924 1 930 . 1 1 100 100 LYS CA C 13 60.342 0.1 . 1 . . . . . . . . 5924 1 931 . 1 1 101 101 GLN N N 15 116.487 0.1 . 1 . . . . . . . . 5924 1 932 . 1 1 101 101 GLN H H 1 7.955 0.01 . 1 . . . . . . . . 5924 1 933 . 1 1 101 101 GLN CA C 13 58.542 0.1 . 1 . . . . . . . . 5924 1 934 . 1 1 101 101 GLN NE2 N 15 110.702 0.1 . 1 . . . . . . . . 5924 1 935 . 1 1 101 101 GLN HE21 H 1 6.992 0.01 . 2 . . . . . . . . 5924 1 936 . 1 1 101 101 GLN HE22 H 1 6.628 0.01 . 2 . . . . . . . . 5924 1 937 . 1 1 104 104 THR N N 15 114.909 0.1 . 1 . . . . . . . . 5924 1 938 . 1 1 104 104 THR H H 1 8.426 0.01 . 1 . . . . . . . . 5924 1 939 . 1 1 104 104 THR CA C 13 66.805 0.1 . 1 . . . . . . . . 5924 1 940 . 1 1 104 104 THR HA H 1 4.051 0.01 . 1 . . . . . . . . 5924 1 941 . 1 1 104 104 THR CB C 13 68.829 0.1 . 1 . . . . . . . . 5924 1 942 . 1 1 104 104 THR HB H 1 4.311 0.01 . 1 . . . . . . . . 5924 1 943 . 1 1 104 104 THR CG2 C 13 22.262 0.1 . 1 . . . . . . . . 5924 1 944 . 1 1 104 104 THR HG21 H 1 1.329 0.01 . 1 . . . . . . . . 5924 1 945 . 1 1 104 104 THR HG22 H 1 1.329 0.01 . 1 . . . . . . . . 5924 1 946 . 1 1 104 104 THR HG23 H 1 1.329 0.01 . 1 . . . . . . . . 5924 1 947 . 1 1 105 105 ALA N N 15 122.314 0.1 . 1 . . . . . . . . 5924 1 948 . 1 1 105 105 ALA H H 1 7.923 0.01 . 1 . . . . . . . . 5924 1 949 . 1 1 105 105 ALA CA C 13 54.948 0.1 . 1 . . . . . . . . 5924 1 950 . 1 1 105 105 ALA HA H 1 4.390 0.01 . 1 . . . . . . . . 5924 1 951 . 1 1 105 105 ALA CB C 13 17.948 0.1 . 1 . . . . . . . . 5924 1 952 . 1 1 105 105 ALA HB1 H 1 1.591 0.01 . 1 . . . . . . . . 5924 1 953 . 1 1 105 105 ALA HB2 H 1 1.591 0.01 . 1 . . . . . . . . 5924 1 954 . 1 1 105 105 ALA HB3 H 1 1.591 0.01 . 1 . . . . . . . . 5924 1 955 . 1 1 106 106 ALA N N 15 117.479 0.1 . 1 . . . . . . . . 5924 1 956 . 1 1 106 106 ALA H H 1 8.516 0.01 . 1 . . . . . . . . 5924 1 957 . 1 1 106 106 ALA CA C 13 54.869 0.1 . 1 . . . . . . . . 5924 1 958 . 1 1 106 106 ALA HA H 1 4.040 0.01 . 1 . . . . . . . . 5924 1 959 . 1 1 106 106 ALA CB C 13 18.555 0.1 . 1 . . . . . . . . 5924 1 960 . 1 1 106 106 ALA HB1 H 1 1.547 0.01 . 1 . . . . . . . . 5924 1 961 . 1 1 106 106 ALA HB2 H 1 1.547 0.01 . 1 . . . . . . . . 5924 1 962 . 1 1 106 106 ALA HB3 H 1 1.547 0.01 . 1 . . . . . . . . 5924 1 963 . 1 1 107 107 HIS N N 15 114.332 0.1 . 1 . . . . . . . . 5924 1 964 . 1 1 107 107 HIS H H 1 8.435 0.01 . 1 . . . . . . . . 5924 1 965 . 1 1 107 107 HIS CA C 13 59.803 0.1 . 1 . . . . . . . . 5924 1 966 . 1 1 107 107 HIS HA H 1 4.038 0.01 . 1 . . . . . . . . 5924 1 967 . 1 1 107 107 HIS CB C 13 29.197 0.1 . 1 . . . . . . . . 5924 1 968 . 1 1 107 107 HIS HB3 H 1 3.471 0.01 . 1 . . . . . . . . 5924 1 969 . 1 1 107 107 HIS HB2 H 1 3.471 0.01 . 1 . . . . . . . . 5924 1 970 . 1 1 107 107 HIS CD2 C 13 118.661 0.1 . 1 . . . . . . . . 5924 1 971 . 1 1 107 107 HIS HD2 H 1 6.985 0.01 . 1 . . . . . . . . 5924 1 972 . 1 1 108 108 ALA N N 15 118.117 0.1 . 1 . . . . . . . . 5924 1 973 . 1 1 108 108 ALA H H 1 7.904 0.01 . 1 . . . . . . . . 5924 1 974 . 1 1 108 108 ALA CA C 13 55.301 0.1 . 1 . . . . . . . . 5924 1 975 . 1 1 108 108 ALA HA H 1 3.995 0.01 . 1 . . . . . . . . 5924 1 976 . 1 1 108 108 ALA CB C 13 17.694 0.1 . 1 . . . . . . . . 5924 1 977 . 1 1 108 108 ALA HB1 H 1 1.504 0.01 . 1 . . . . . . . . 5924 1 978 . 1 1 108 108 ALA HB2 H 1 1.504 0.01 . 1 . . . . . . . . 5924 1 979 . 1 1 108 108 ALA HB3 H 1 1.504 0.01 . 1 . . . . . . . . 5924 1 980 . 1 1 109 109 LEU N N 15 113.929 0.1 . 1 . . . . . . . . 5924 1 981 . 1 1 109 109 LEU H H 1 7.553 0.01 . 1 . . . . . . . . 5924 1 982 . 1 1 109 109 LEU CA C 13 58.178 0.1 . 1 . . . . . . . . 5924 1 983 . 1 1 109 109 LEU HA H 1 4.346 0.01 . 1 . . . . . . . . 5924 1 984 . 1 1 109 109 LEU CB C 13 42.821 0.1 . 1 . . . . . . . . 5924 1 985 . 1 1 109 109 LEU HB3 H 1 2.073 0.01 . 2 . . . . . . . . 5924 1 986 . 1 1 109 109 LEU HB2 H 1 1.662 0.01 . 2 . . . . . . . . 5924 1 987 . 1 1 109 109 LEU CG C 13 27.593 0.1 . 1 . . . . . . . . 5924 1 988 . 1 1 109 109 LEU HG H 1 1.064 0.01 . 1 . . . . . . . . 5924 1 989 . 1 1 109 109 LEU CD1 C 13 26.845 0.1 . 1 . . . . . . . . 5924 1 990 . 1 1 109 109 LEU HD11 H 1 0.876 0.01 . 1 . . . . . . . . 5924 1 991 . 1 1 109 109 LEU HD12 H 1 0.876 0.01 . 1 . . . . . . . . 5924 1 992 . 1 1 109 109 LEU HD13 H 1 0.876 0.01 . 1 . . . . . . . . 5924 1 993 . 1 1 109 109 LEU CD2 C 13 26.845 0.1 . 1 . . . . . . . . 5924 1 994 . 1 1 109 109 LEU HD21 H 1 0.876 0.01 . 1 . . . . . . . . 5924 1 995 . 1 1 109 109 LEU HD22 H 1 0.876 0.01 . 1 . . . . . . . . 5924 1 996 . 1 1 109 109 LEU HD23 H 1 0.876 0.01 . 1 . . . . . . . . 5924 1 997 . 1 1 110 110 ALA N N 15 115.371 0.1 . 1 . . . . . . . . 5924 1 998 . 1 1 110 110 ALA H H 1 7.498 0.01 . 1 . . . . . . . . 5924 1 999 . 1 1 110 110 ALA CA C 13 55.382 0.1 . 1 . . . . . . . . 5924 1 1000 . 1 1 110 110 ALA HA H 1 3.854 0.01 . 1 . . . . . . . . 5924 1 1001 . 1 1 110 110 ALA CB C 13 19.468 0.1 . 1 . . . . . . . . 5924 1 1002 . 1 1 110 110 ALA HB1 H 1 1.412 0.01 . 1 . . . . . . . . 5924 1 1003 . 1 1 110 110 ALA HB2 H 1 1.412 0.01 . 1 . . . . . . . . 5924 1 1004 . 1 1 110 110 ALA HB3 H 1 1.412 0.01 . 1 . . . . . . . . 5924 1 1005 . 1 1 111 111 VAL N N 15 113.619 0.1 . 1 . . . . . . . . 5924 1 1006 . 1 1 111 111 VAL H H 1 7.976 0.01 . 1 . . . . . . . . 5924 1 1007 . 1 1 111 111 VAL CA C 13 66.639 0.1 . 1 . . . . . . . . 5924 1 1008 . 1 1 111 111 VAL HA H 1 3.506 0.01 . 1 . . . . . . . . 5924 1 1009 . 1 1 111 111 VAL CB C 13 31.907 0.1 . 1 . . . . . . . . 5924 1 1010 . 1 1 111 111 VAL HB H 1 2.066 0.01 . 1 . . . . . . . . 5924 1 1011 . 1 1 111 111 VAL CG2 C 13 22.770 0.1 . 1 . . . . . . . . 5924 1 1012 . 1 1 111 111 VAL HG21 H 1 0.877 0.01 . 2 . . . . . . . . 5924 1 1013 . 1 1 111 111 VAL HG22 H 1 0.877 0.01 . 2 . . . . . . . . 5924 1 1014 . 1 1 111 111 VAL HG23 H 1 0.877 0.01 . 2 . . . . . . . . 5924 1 1015 . 1 1 111 111 VAL CG1 C 13 21.503 0.1 . 1 . . . . . . . . 5924 1 1016 . 1 1 111 111 VAL HG11 H 1 0.920 0.01 . 2 . . . . . . . . 5924 1 1017 . 1 1 111 111 VAL HG12 H 1 0.920 0.01 . 2 . . . . . . . . 5924 1 1018 . 1 1 111 111 VAL HG13 H 1 0.920 0.01 . 2 . . . . . . . . 5924 1 1019 . 1 1 112 112 ASP N N 15 118.330 0.1 . 1 . . . . . . . . 5924 1 1020 . 1 1 112 112 ASP H H 1 9.183 0.01 . 1 . . . . . . . . 5924 1 1021 . 1 1 112 112 ASP CA C 13 56.847 0.1 . 1 . . . . . . . . 5924 1 1022 . 1 1 112 112 ASP CB C 13 38.252 0.1 . 1 . . . . . . . . 5924 1 1023 . 1 1 112 112 ASP HB3 H 1 2.910 0.01 . 2 . . . . . . . . 5924 1 1024 . 1 1 112 112 ASP HB2 H 1 2.517 0.01 . 2 . . . . . . . . 5924 1 1025 . 1 1 113 113 ALA N N 15 125.542 0.1 . 1 . . . . . . . . 5924 1 1026 . 1 1 113 113 ALA H H 1 8.470 0.01 . 1 . . . . . . . . 5924 1 1027 . 1 1 113 113 ALA CA C 13 55.553 0.1 . 1 . . . . . . . . 5924 1 1028 . 1 1 113 113 ALA HA H 1 4.083 0.01 . 1 . . . . . . . . 5924 1 1029 . 1 1 113 113 ALA CB C 13 18.199 0.1 . 1 . . . . . . . . 5924 1 1030 . 1 1 113 113 ALA HB1 H 1 1.545 0.01 . 1 . . . . . . . . 5924 1 1031 . 1 1 113 113 ALA HB2 H 1 1.545 0.01 . 1 . . . . . . . . 5924 1 1032 . 1 1 113 113 ALA HB3 H 1 1.545 0.01 . 1 . . . . . . . . 5924 1 1033 . 1 1 114 114 LYS N N 15 116.820 0.1 . 1 . . . . . . . . 5924 1 1034 . 1 1 114 114 LYS H H 1 7.627 0.01 . 1 . . . . . . . . 5924 1 1035 . 1 1 114 114 LYS CA C 13 59.406 0.1 . 1 . . . . . . . . 5924 1 1036 . 1 1 114 114 LYS CB C 13 31.395 0.1 . 1 . . . . . . . . 5924 1 1037 . 1 1 114 114 LYS CD C 13 29.115 0.1 . 1 . . . . . . . . 5924 1 1038 . 1 1 115 115 ASN N N 15 114.652 0.1 . 1 . . . . . . . . 5924 1 1039 . 1 1 115 115 ASN H H 1 8.195 0.01 . 1 . . . . . . . . 5924 1 1040 . 1 1 115 115 ASN CA C 13 56.898 0.1 . 1 . . . . . . . . 5924 1 1041 . 1 1 115 115 ASN HA H 1 4.520 0.01 . 1 . . . . . . . . 5924 1 1042 . 1 1 115 115 ASN CB C 13 38.401 0.1 . 1 . . . . . . . . 5924 1 1043 . 1 1 115 115 ASN HB3 H 1 2.991 0.01 . 1 . . . . . . . . 5924 1 1044 . 1 1 115 115 ASN HB2 H 1 2.991 0.01 . 1 . . . . . . . . 5924 1 1045 . 1 1 115 115 ASN ND2 N 15 114.403 0.1 . 1 . . . . . . . . 5924 1 1046 . 1 1 115 115 ASN HD21 H 1 7.976 0.01 . 2 . . . . . . . . 5924 1 1047 . 1 1 115 115 ASN HD22 H 1 6.975 0.01 . 2 . . . . . . . . 5924 1 1048 . 1 1 116 116 LEU N N 15 116.905 0.1 . 1 . . . . . . . . 5924 1 1049 . 1 1 116 116 LEU H H 1 7.714 0.01 . 1 . . . . . . . . 5924 1 1050 . 1 1 116 116 LEU CA C 13 58.405 0.1 . 1 . . . . . . . . 5924 1 1051 . 1 1 116 116 LEU HA H 1 3.996 0.01 . 1 . . . . . . . . 5924 1 1052 . 1 1 116 116 LEU CB C 13 42.315 0.1 . 1 . . . . . . . . 5924 1 1053 . 1 1 116 116 LEU HB3 H 1 1.765 0.01 . 2 . . . . . . . . 5924 1 1054 . 1 1 116 116 LEU HB2 H 1 1.592 0.01 . 2 . . . . . . . . 5924 1 1055 . 1 1 116 116 LEU CG C 13 27.089 0.1 . 1 . . . . . . . . 5924 1 1056 . 1 1 116 116 LEU CD1 C 13 25.185 0.1 . 1 . . . . . . . . 5924 1 1057 . 1 1 116 116 LEU HD11 H 1 0.934 0.01 . 2 . . . . . . . . 5924 1 1058 . 1 1 116 116 LEU HD12 H 1 0.934 0.01 . 2 . . . . . . . . 5924 1 1059 . 1 1 116 116 LEU HD13 H 1 0.934 0.01 . 2 . . . . . . . . 5924 1 1060 . 1 1 116 116 LEU CD2 C 13 25.185 0.1 . 1 . . . . . . . . 5924 1 1061 . 1 1 116 116 LEU HD21 H 1 0.674 0.01 . 2 . . . . . . . . 5924 1 1062 . 1 1 116 116 LEU HD22 H 1 0.674 0.01 . 2 . . . . . . . . 5924 1 1063 . 1 1 116 116 LEU HD23 H 1 0.674 0.01 . 2 . . . . . . . . 5924 1 1064 . 1 1 117 117 LEU N N 15 117.046 0.1 . 1 . . . . . . . . 5924 1 1065 . 1 1 117 117 LEU H H 1 7.754 0.01 . 1 . . . . . . . . 5924 1 1066 . 1 1 117 117 LEU CA C 13 58.268 0.1 . 1 . . . . . . . . 5924 1 1067 . 1 1 117 117 LEU CB C 13 41.685 0.1 . 1 . . . . . . . . 5924 1 1068 . 1 1 117 117 LEU HB3 H 1 1.697 0.01 . 2 . . . . . . . . 5924 1 1069 . 1 1 117 117 LEU HB2 H 1 1.921 0.01 . 2 . . . . . . . . 5924 1 1070 . 1 1 117 117 LEU CG C 13 27.599 0.1 . 1 . . . . . . . . 5924 1 1071 . 1 1 117 117 LEU CD1 C 13 23.783 0.1 . 1 . . . . . . . . 5924 1 1072 . 1 1 117 117 LEU HD11 H 1 1.022 0.01 . 1 . . . . . . . . 5924 1 1073 . 1 1 117 117 LEU HD12 H 1 1.022 0.01 . 1 . . . . . . . . 5924 1 1074 . 1 1 117 117 LEU HD13 H 1 1.022 0.01 . 1 . . . . . . . . 5924 1 1075 . 1 1 117 117 LEU CD2 C 13 23.783 0.1 . 1 . . . . . . . . 5924 1 1076 . 1 1 117 117 LEU HD21 H 1 1.022 0.01 . 1 . . . . . . . . 5924 1 1077 . 1 1 117 117 LEU HD22 H 1 1.022 0.01 . 1 . . . . . . . . 5924 1 1078 . 1 1 117 117 LEU HD23 H 1 1.022 0.01 . 1 . . . . . . . . 5924 1 1079 . 1 1 118 118 ASP N N 15 115.740 0.1 . 1 . . . . . . . . 5924 1 1080 . 1 1 118 118 ASP H H 1 8.345 0.01 . 1 . . . . . . . . 5924 1 1081 . 1 1 118 118 ASP CA C 13 57.981 0.1 . 1 . . . . . . . . 5924 1 1082 . 1 1 118 118 ASP HA H 1 4.433 0.01 . 1 . . . . . . . . 5924 1 1083 . 1 1 118 118 ASP CB C 13 40.030 0.1 . 1 . . . . . . . . 5924 1 1084 . 1 1 118 118 ASP HB3 H 1 2.772 0.01 . 2 . . . . . . . . 5924 1 1085 . 1 1 118 118 ASP HB2 H 1 3.015 0.01 . 2 . . . . . . . . 5924 1 1086 . 1 1 119 119 VAL N N 15 117.262 0.1 . 1 . . . . . . . . 5924 1 1087 . 1 1 119 119 VAL H H 1 8.180 0.01 . 1 . . . . . . . . 5924 1 1088 . 1 1 119 119 VAL CA C 13 66.468 0.1 . 1 . . . . . . . . 5924 1 1089 . 1 1 119 119 VAL HA H 1 3.796 0.01 . 1 . . . . . . . . 5924 1 1090 . 1 1 119 119 VAL CB C 13 31.908 0.1 . 1 . . . . . . . . 5924 1 1091 . 1 1 119 119 VAL HB H 1 2.306 0.01 . 1 . . . . . . . . 5924 1 1092 . 1 1 119 119 VAL CG2 C 13 22.518 0.1 . 1 . . . . . . . . 5924 1 1093 . 1 1 119 119 VAL HG21 H 1 1.127 0.01 . 2 . . . . . . . . 5924 1 1094 . 1 1 119 119 VAL HG22 H 1 1.127 0.01 . 2 . . . . . . . . 5924 1 1095 . 1 1 119 119 VAL HG23 H 1 1.127 0.01 . 2 . . . . . . . . 5924 1 1096 . 1 1 119 119 VAL CG1 C 13 22.518 0.1 . 1 . . . . . . . . 5924 1 1097 . 1 1 119 119 VAL HG11 H 1 0.943 0.01 . 2 . . . . . . . . 5924 1 1098 . 1 1 119 119 VAL HG12 H 1 0.943 0.01 . 2 . . . . . . . . 5924 1 1099 . 1 1 119 119 VAL HG13 H 1 0.943 0.01 . 2 . . . . . . . . 5924 1 1100 . 1 1 120 120 ILE N N 15 119.929 0.1 . 1 . . . . . . . . 5924 1 1101 . 1 1 120 120 ILE H H 1 8.367 0.01 . 1 . . . . . . . . 5924 1 1102 . 1 1 120 120 ILE CA C 13 65.024 0.1 . 1 . . . . . . . . 5924 1 1103 . 1 1 120 120 ILE HA H 1 3.777 0.01 . 1 . . . . . . . . 5924 1 1104 . 1 1 120 120 ILE CB C 13 37.239 0.1 . 1 . . . . . . . . 5924 1 1105 . 1 1 120 120 ILE HB H 1 2.247 0.01 . 1 . . . . . . . . 5924 1 1106 . 1 1 120 120 ILE CD1 C 13 14.129 0.1 . 1 . . . . . . . . 5924 1 1107 . 1 1 120 120 ILE HD11 H 1 0.893 0.01 . 1 . . . . . . . . 5924 1 1108 . 1 1 120 120 ILE HD12 H 1 0.893 0.01 . 1 . . . . . . . . 5924 1 1109 . 1 1 120 120 ILE HD13 H 1 0.893 0.01 . 1 . . . . . . . . 5924 1 1110 . 1 1 120 120 ILE CG2 C 13 16.683 0.1 . 1 . . . . . . . . 5924 1 1111 . 1 1 120 120 ILE HG21 H 1 0.980 0.01 . 1 . . . . . . . . 5924 1 1112 . 1 1 120 120 ILE HG22 H 1 0.980 0.01 . 1 . . . . . . . . 5924 1 1113 . 1 1 120 120 ILE HG23 H 1 0.980 0.01 . 1 . . . . . . . . 5924 1 1114 . 1 1 121 121 ASP N N 15 119.297 0.1 . 1 . . . . . . . . 5924 1 1115 . 1 1 121 121 ASP H H 1 9.437 0.01 . 1 . . . . . . . . 5924 1 1116 . 1 1 121 121 ASP CA C 13 58.084 0.1 . 1 . . . . . . . . 5924 1 1117 . 1 1 121 121 ASP HA H 1 4.532 0.01 . 1 . . . . . . . . 5924 1 1118 . 1 1 121 121 ASP CB C 13 40.030 0.1 . 1 . . . . . . . . 5924 1 1119 . 1 1 121 121 ASP HB3 H 1 2.663 0.01 . 2 . . . . . . . . 5924 1 1120 . 1 1 121 121 ASP HB2 H 1 3.015 0.01 . 2 . . . . . . . . 5924 1 1121 . 1 1 122 122 GLN N N 15 115.475 0.1 . 1 . . . . . . . . 5924 1 1122 . 1 1 122 122 GLN H H 1 8.154 0.01 . 1 . . . . . . . . 5924 1 1123 . 1 1 122 122 GLN CA C 13 58.878 0.1 . 1 . . . . . . . . 5924 1 1124 . 1 1 122 122 GLN HA H 1 4.101 0.01 . 1 . . . . . . . . 5924 1 1125 . 1 1 122 122 GLN CB C 13 28.488 0.1 . 1 . . . . . . . . 5924 1 1126 . 1 1 122 122 GLN HB3 H 1 2.291 0.01 . 1 . . . . . . . . 5924 1 1127 . 1 1 122 122 GLN HB2 H 1 2.291 0.01 . 1 . . . . . . . . 5924 1 1128 . 1 1 122 122 GLN CG C 13 34.450 0.1 . 1 . . . . . . . . 5924 1 1129 . 1 1 122 122 GLN HG3 H 1 2.583 0.01 . 1 . . . . . . . . 5924 1 1130 . 1 1 122 122 GLN HG2 H 1 2.583 0.01 . 1 . . . . . . . . 5924 1 1131 . 1 1 123 123 ALA N N 15 121.425 0.1 . 1 . . . . . . . . 5924 1 1132 . 1 1 123 123 ALA H H 1 8.239 0.01 . 1 . . . . . . . . 5924 1 1133 . 1 1 123 123 ALA CA C 13 55.507 0.1 . 1 . . . . . . . . 5924 1 1134 . 1 1 123 123 ALA HA H 1 4.187 0.01 . 1 . . . . . . . . 5924 1 1135 . 1 1 123 123 ALA CB C 13 19.345 0.1 . 1 . . . . . . . . 5924 1 1136 . 1 1 123 123 ALA HB1 H 1 1.782 0.01 . 1 . . . . . . . . 5924 1 1137 . 1 1 123 123 ALA HB2 H 1 1.782 0.01 . 1 . . . . . . . . 5924 1 1138 . 1 1 123 123 ALA HB3 H 1 1.782 0.01 . 1 . . . . . . . . 5924 1 1139 . 1 1 124 124 ARG N N 15 114.176 0.1 . 1 . . . . . . . . 5924 1 1140 . 1 1 124 124 ARG H H 1 8.654 0.01 . 1 . . . . . . . . 5924 1 1141 . 1 1 124 124 ARG CA C 13 59.495 0.1 . 1 . . . . . . . . 5924 1 1142 . 1 1 124 124 ARG CB C 13 30.646 0.1 . 1 . . . . . . . . 5924 1 1143 . 1 1 124 124 ARG HB3 H 1 1.723 0.01 . 1 . . . . . . . . 5924 1 1144 . 1 1 124 124 ARG HB2 H 1 1.723 0.01 . 1 . . . . . . . . 5924 1 1145 . 1 1 124 124 ARG CG C 13 26.319 0.1 . 1 . . . . . . . . 5924 1 1146 . 1 1 124 124 ARG CD C 13 44.347 0.1 . 1 . . . . . . . . 5924 1 1147 . 1 1 124 124 ARG HD3 H 1 3.295 0.01 . 1 . . . . . . . . 5924 1 1148 . 1 1 124 124 ARG HD2 H 1 3.295 0.01 . 1 . . . . . . . . 5924 1 1149 . 1 1 125 125 LEU N N 15 116.295 0.1 . 1 . . . . . . . . 5924 1 1150 . 1 1 125 125 LEU H H 1 7.813 0.01 . 1 . . . . . . . . 5924 1 1151 . 1 1 125 125 LEU CA C 13 57.422 0.1 . 1 . . . . . . . . 5924 1 1152 . 1 1 125 125 LEU HA H 1 4.207 0.01 . 1 . . . . . . . . 5924 1 1153 . 1 1 125 125 LEU CB C 13 41.806 0.1 . 1 . . . . . . . . 5924 1 1154 . 1 1 125 125 LEU HB3 H 1 1.709 0.01 . 2 . . . . . . . . 5924 1 1155 . 1 1 125 125 LEU HB2 H 1 1.927 0.01 . 2 . . . . . . . . 5924 1 1156 . 1 1 125 125 LEU CG C 13 26.840 0.1 . 1 . . . . . . . . 5924 1 1157 . 1 1 125 125 LEU CD1 C 13 24.806 0.1 . 1 . . . . . . . . 5924 1 1158 . 1 1 125 125 LEU HD11 H 1 0.935 0.01 . 1 . . . . . . . . 5924 1 1159 . 1 1 125 125 LEU HD12 H 1 0.935 0.01 . 1 . . . . . . . . 5924 1 1160 . 1 1 125 125 LEU HD13 H 1 0.935 0.01 . 1 . . . . . . . . 5924 1 1161 . 1 1 125 125 LEU CD2 C 13 23.789 0.1 . 1 . . . . . . . . 5924 1 1162 . 1 1 125 125 LEU HD21 H 1 0.935 0.01 . 1 . . . . . . . . 5924 1 1163 . 1 1 125 125 LEU HD22 H 1 0.935 0.01 . 1 . . . . . . . . 5924 1 1164 . 1 1 125 125 LEU HD23 H 1 0.935 0.01 . 1 . . . . . . . . 5924 1 1165 . 1 1 126 126 LYS N N 15 116.295 0.1 . 1 . . . . . . . . 5924 1 1166 . 1 1 126 126 LYS H H 1 7.824 0.01 . 1 . . . . . . . . 5924 1 1167 . 1 1 126 126 LYS CA C 13 58.230 0.1 . 1 . . . . . . . . 5924 1 1168 . 1 1 126 126 LYS HA H 1 4.214 0.01 . 1 . . . . . . . . 5924 1 1169 . 1 1 126 126 LYS CB C 13 32.492 0.1 . 1 . . . . . . . . 5924 1 1170 . 1 1 126 126 LYS HB3 H 1 2.028 0.01 . 1 . . . . . . . . 5924 1 1171 . 1 1 126 126 LYS HB2 H 1 2.028 0.01 . 1 . . . . . . . . 5924 1 1172 . 1 1 126 126 LYS CG C 13 25.566 0.1 . 1 . . . . . . . . 5924 1 1173 . 1 1 126 126 LYS HG3 H 1 1.505 0.01 . 1 . . . . . . . . 5924 1 1174 . 1 1 126 126 LYS HG2 H 1 1.505 0.01 . 1 . . . . . . . . 5924 1 1175 . 1 1 126 126 LYS CD C 13 29.374 0.1 . 1 . . . . . . . . 5924 1 1176 . 1 1 126 126 LYS HD3 H 1 1.635 0.01 . 1 . . . . . . . . 5924 1 1177 . 1 1 126 126 LYS HD2 H 1 1.635 0.01 . 1 . . . . . . . . 5924 1 1178 . 1 1 126 126 LYS CE C 13 42.314 0.1 . 1 . . . . . . . . 5924 1 1179 . 1 1 126 126 LYS HE3 H 1 2.990 0.01 . 1 . . . . . . . . 5924 1 1180 . 1 1 126 126 LYS HE2 H 1 2.990 0.01 . 1 . . . . . . . . 5924 1 1181 . 1 1 127 127 MET N N 15 115.193 0.1 . 1 . . . . . . . . 5924 1 1182 . 1 1 127 127 MET H H 1 7.830 0.01 . 1 . . . . . . . . 5924 1 1183 . 1 1 127 127 MET CA C 13 57.657 0.1 . 1 . . . . . . . . 5924 1 1184 . 1 1 127 127 MET HA H 1 4.301 0.01 . 1 . . . . . . . . 5924 1 1185 . 1 1 127 127 MET CB C 13 33.433 0.1 . 1 . . . . . . . . 5924 1 1186 . 1 1 127 127 MET HB3 H 1 2.449 0.01 . 2 . . . . . . . . 5924 1 1187 . 1 1 127 127 MET HB2 H 1 2.175 0.01 . 2 . . . . . . . . 5924 1 1188 . 1 1 127 127 MET CG C 13 31.906 0.1 . 1 . . . . . . . . 5924 1 1189 . 1 1 127 127 MET HG3 H 1 2.775 0.01 . 2 . . . . . . . . 5924 1 1190 . 1 1 127 127 MET HG2 H 1 2.448 0.01 . 2 . . . . . . . . 5924 1 1191 . 1 1 128 128 ILE N N 15 115.707 0.1 . 1 . . . . . . . . 5924 1 1192 . 1 1 128 128 ILE H H 1 7.894 0.01 . 1 . . . . . . . . 5924 1 1193 . 1 1 128 128 ILE CA C 13 62.727 0.1 . 1 . . . . . . . . 5924 1 1194 . 1 1 128 128 ILE HA H 1 4.149 0.01 . 1 . . . . . . . . 5924 1 1195 . 1 1 128 128 ILE CB C 13 38.760 0.1 . 1 . . . . . . . . 5924 1 1196 . 1 1 128 128 ILE HB H 1 2.037 0.01 . 1 . . . . . . . . 5924 1 1197 . 1 1 128 128 ILE CG1 C 13 28.097 0.1 . 2 . . . . . . . . 5924 1 1198 . 1 1 128 128 ILE HG13 H 1 1.651 0.01 . 1 . . . . . . . . 5924 1 1199 . 1 1 128 128 ILE HG12 H 1 1.329 0.01 . 1 . . . . . . . . 5924 1 1200 . 1 1 128 128 ILE CD1 C 13 13.373 0.1 . 1 . . . . . . . . 5924 1 1201 . 1 1 128 128 ILE HD11 H 1 0.931 0.01 . 1 . . . . . . . . 5924 1 1202 . 1 1 128 128 ILE HD12 H 1 0.931 0.01 . 1 . . . . . . . . 5924 1 1203 . 1 1 128 128 ILE HD13 H 1 0.931 0.01 . 1 . . . . . . . . 5924 1 1204 . 1 1 128 128 ILE CG2 C 13 17.694 0.1 . 1 . . . . . . . . 5924 1 1205 . 1 1 128 128 ILE HG21 H 1 0.997 0.01 . 1 . . . . . . . . 5924 1 1206 . 1 1 128 128 ILE HG22 H 1 0.997 0.01 . 1 . . . . . . . . 5924 1 1207 . 1 1 128 128 ILE HG23 H 1 0.997 0.01 . 1 . . . . . . . . 5924 1 1208 . 1 1 129 129 SER N N 15 114.002 0.1 . 1 . . . . . . . . 5924 1 1209 . 1 1 129 129 SER H H 1 8.130 0.01 . 1 . . . . . . . . 5924 1 1210 . 1 1 129 129 SER CA C 13 59.578 0.1 . 1 . . . . . . . . 5924 1 1211 . 1 1 129 129 SER HA H 1 4.434 0.01 . 1 . . . . . . . . 5924 1 1212 . 1 1 129 129 SER CB C 13 63.741 0.1 . 1 . . . . . . . . 5924 1 1213 . 1 1 129 129 SER HB3 H 1 3.995 0.01 . 1 . . . . . . . . 5924 1 1214 . 1 1 129 129 SER HB2 H 1 3.995 0.01 . 1 . . . . . . . . 5924 1 1215 . 1 1 130 130 GLN N N 15 117.612 0.1 . 1 . . . . . . . . 5924 1 1216 . 1 1 130 130 GLN H H 1 8.120 0.01 . 1 . . . . . . . . 5924 1 1217 . 1 1 130 130 GLN CA C 13 56.295 0.1 . 1 . . . . . . . . 5924 1 1218 . 1 1 130 130 GLN HA H 1 4.433 0.01 . 1 . . . . . . . . 5924 1 1219 . 1 1 130 130 GLN CB C 13 29.363 0.1 . 1 . . . . . . . . 5924 1 1220 . 1 1 130 130 GLN HB3 H 1 2.237 0.01 . 2 . . . . . . . . 5924 1 1221 . 1 1 130 130 GLN HB2 H 1 2.100 0.01 . 2 . . . . . . . . 5924 1 1222 . 1 1 130 130 GLN CG C 13 34.190 0.1 . 1 . . . . . . . . 5924 1 1223 . 1 1 130 130 GLN HG3 H 1 2.486 0.01 . 1 . . . . . . . . 5924 1 1224 . 1 1 130 130 GLN HG2 H 1 2.486 0.01 . 1 . . . . . . . . 5924 1 1225 . 1 1 130 130 GLN NE2 N 15 112.396 0.1 . 1 . . . . . . . . 5924 1 1226 . 1 1 130 130 GLN HE21 H 1 7.491 0.01 . 2 . . . . . . . . 5924 1 1227 . 1 1 130 130 GLN HE22 H 1 6.836 0.01 . 2 . . . . . . . . 5924 1 1228 . 1 1 131 131 SER N N 15 112.759 0.1 . 1 . . . . . . . . 5924 1 1229 . 1 1 131 131 SER H H 1 8.098 0.01 . 1 . . . . . . . . 5924 1 1230 . 1 1 131 131 SER CA C 13 58.616 0.1 . 1 . . . . . . . . 5924 1 1231 . 1 1 131 131 SER HA H 1 4.520 0.01 . 1 . . . . . . . . 5924 1 1232 . 1 1 131 131 SER CB C 13 63.974 0.1 . 1 . . . . . . . . 5924 1 1233 . 1 1 131 131 SER HB3 H 1 3.950 0.01 . 1 . . . . . . . . 5924 1 1234 . 1 1 131 131 SER HB2 H 1 3.950 0.01 . 1 . . . . . . . . 5924 1 1235 . 1 1 131 131 SER HG H 1 5.438 0.01 . 1 . . . . . . . . 5924 1 1236 . 1 1 132 132 ARG N N 15 120.260 0.1 . 1 . . . . . . . . 5924 1 1237 . 1 1 132 132 ARG H H 1 8.100 0.01 . 1 . . . . . . . . 5924 1 1238 . 1 1 132 132 ARG CA C 13 54.078 0.1 . 1 . . . . . . . . 5924 1 1239 . 1 1 132 132 ARG CB C 13 30.527 0.1 . 1 . . . . . . . . 5924 1 1240 . 1 1 132 132 ARG HB3 H 1 1.804 0.01 . 2 . . . . . . . . 5924 1 1241 . 1 1 132 132 ARG HB2 H 1 1.901 0.01 . 2 . . . . . . . . 5924 1 1242 . 1 1 132 132 ARG HG3 H 1 1.721 0.01 . 1 . . . . . . . . 5924 1 1243 . 1 1 132 132 ARG HG2 H 1 1.721 0.01 . 1 . . . . . . . . 5924 1 1244 . 1 1 133 133 PRO CA C 13 63.636 0.1 . 1 . . . . . . . . 5924 1 1245 . 1 1 133 133 PRO HA H 1 4.463 0.01 . 1 . . . . . . . . 5924 1 1246 . 1 1 133 133 PRO CB C 13 32.154 0.1 . 1 . . . . . . . . 5924 1 1247 . 1 1 133 133 PRO HB3 H 1 2.317 0.01 . 1 . . . . . . . . 5924 1 1248 . 1 1 133 133 PRO HB2 H 1 2.317 0.01 . 1 . . . . . . . . 5924 1 1249 . 1 1 133 133 PRO CG C 13 27.485 0.1 . 1 . . . . . . . . 5924 1 1250 . 1 1 133 133 PRO HG3 H 1 2.029 0.01 . 1 . . . . . . . . 5924 1 1251 . 1 1 133 133 PRO HG2 H 1 2.029 0.01 . 1 . . . . . . . . 5924 1 1252 . 1 1 133 133 PRO CD C 13 50.690 0.1 . 1 . . . . . . . . 5924 1 1253 . 1 1 133 133 PRO HD3 H 1 3.865 0.01 . 2 . . . . . . . . 5924 1 1254 . 1 1 133 133 PRO HD2 H 1 3.689 0.01 . 2 . . . . . . . . 5924 1 1255 . 1 1 134 134 HIS N N 15 120.257 0.1 . 1 . . . . . . . . 5924 1 1256 . 1 1 134 134 HIS H H 1 7.989 0.01 . 1 . . . . . . . . 5924 1 1257 . 1 1 134 134 HIS CA C 13 57.122 0.1 . 1 . . . . . . . . 5924 1 1258 . 1 1 134 134 HIS HA H 1 4.453 0.01 . 1 . . . . . . . . 5924 1 1259 . 1 1 134 134 HIS CB C 13 30.160 0.1 . 1 . . . . . . . . 5924 1 1260 . 1 1 134 134 HIS HB3 H 1 3.248 0.01 . 2 . . . . . . . . 5924 1 1261 . 1 1 134 134 HIS HB2 H 1 3.160 0.01 . 2 . . . . . . . . 5924 1 1262 . 1 1 134 134 HIS CD2 C 13 119.714 0.1 . 1 . . . . . . . . 5924 1 1263 . 1 1 134 134 HIS HD2 H 1 7.266 0.01 . 1 . . . . . . . . 5924 1 stop_ save_