data_16406 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16406 _Entry.Title ; Solution structure of peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei. Seattle Structure Genomics Center for Infectious Disease (SSGCID) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-07-13 _Entry.Accession_date 2009-07-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Suxin Zheng N. . . 16406 2 Thomas Leeper . . . 16406 3 Gabriele Varani . . . 16406 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . SSGCID 'Seattle Structural Genomics Center for Infectious Disease' . 16406 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Seattle Structural Genomics Center for Infectious Disease' . 16406 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID BupsA.00130.a . 16406 'peptidyl-prolyl cis-trans isomerase' . 16406 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16406 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 322 16406 '15N chemical shifts' 109 16406 '1H chemical shifts' 748 16406 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2010-05-28 2009-07-13 update BRMB 'edit entity/assembly name' 16406 1 . . 2009-07-23 2009-07-13 original author 'original release' 16406 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1FKL . 16406 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16406 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title Null _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Suxin Zheng . N. . 16406 1 2 Thomas Leeper . . . 16406 1 3 Gabriele Varani . . . 16406 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16406 _Assembly.ID 1 _Assembly.Name 'peptidyl-prolyl cis-trans isomerase' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'peptidyl-prolyl cis-trans isomerase' 1 $entity A . yes native no no . . . 16406 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16406 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'peptidyl-prolyl cis-trans isomerase' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGSMTVVTTESGLKYEDLT EGSGAEARAGQTVSVHYTGW LTDGQKFDSSKDRNDPFAFV LGGGMVIKGWDEGVQGMKVG GVRRLTIPPQLGYGARGAGG VIPPNATLVFEVELLDV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12239.810 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16491 . entity_1 . . . . . 100.00 117 100.00 100.00 1.64e-76 . . . . 16406 1 2 no BMRB 17151 . FKBP . . . . . 100.00 117 100.00 100.00 1.64e-76 . . . . 16406 1 3 no PDB 2KE0 . "Solution Structure Of Peptidyl-Prolyl Cis-Trans Isomerase From Burkholderia Pseudomallei" . . . . . 100.00 117 100.00 100.00 1.64e-76 . . . . 16406 1 4 no PDB 2KO7 . "Solution Structure Of Peptidyl-Prolyl Cis-Trans Isomerase From Burkholderia Pseudomallei Complexed With Cycloheximide-N- Ethyle" . . . . . 100.00 117 100.00 100.00 1.64e-76 . . . . 16406 1 5 no PDB 2L2S . "Solution Structure Of Peptidyl-Prolyl Cis-Trans Isomerase From Burkholderia Pseudomallei Complexed With 1-{[(4-Methylphenyl) Th" . . . . . 100.00 117 100.00 100.00 1.64e-76 . . . . 16406 1 6 no PDB 2Y78 . "Crystal Structure Of Bpss1823, A Mip-Like Chaperone From Burkholderia Pseudomallei" . . . . . 96.58 133 100.00 100.00 5.10e-74 . . . . 16406 1 7 no PDB 3UF8 . "Crystal Structure Of A Smt Fusion Peptidyl-prolyl Cis-trans Isomerase With A G95a Surface Mutation From Burkholderia Pseudomall" . . . . . 98.29 209 97.39 97.39 2.92e-72 . . . . 16406 1 8 no PDB 3UQA . "Crystal Structure Of A Smt Fusion Peptidyl-prolyl Cis-trans Isomerase With Surface Mutation A54e From Burkholderia Pseudomallei" . . . . . 98.29 209 97.39 97.39 4.47e-72 . . . . 16406 1 9 no PDB 3UQB . "Crystal Structure Of A Smt Fusion Peptidyl-prolyl Cis-trans Isomerase With Surface Mutation D44g From Burkholderia Pseudomallei" . . . . . 98.29 209 97.39 97.39 1.96e-71 . . . . 16406 1 10 no PDB 3VAW . "Crystal Structure Of A Smt Fusion Peptidyl-prolyl Cis-trans Isomerase With Surface Mutation V3i From Burkholderia Pseudomallei " . . . . . 98.29 209 97.39 98.26 1.16e-72 . . . . 16406 1 11 no PDB 4DZ2 . "Crystal Structure Of A Peptidyl-prolyl Cis-trans Isomerase With Surface Mutation R92g From Burkholderia Pseudomallei Complexed " . . . . . 95.73 113 99.11 99.11 2.14e-71 . . . . 16406 1 12 no PDB 4DZ3 . "Crystal Structure Of A Peptidyl-prolyl Cis-trans Isomerase With Surface Mutation M61h From Burkholderia Pseudomallei Complexed " . . . . . 95.73 113 99.11 99.11 7.51e-72 . . . . 16406 1 13 no PDB 4FN2 . "Crystal Structure Of A Smt Fusion Peptidyl-prolyl Cis-trans Isomerase With Surface Mutation D44g From Burkholderia Pseudomallei" . . . . . 98.29 209 97.39 97.39 1.96e-71 . . . . 16406 1 14 no PDB 4G50 . "Crystal Structure Of A Smt Fusion Peptidyl-prolyl Cis-trans Isomerase With Surface Mutation D44g From Burkholderia Pseudomallei" . . . . . 98.29 209 97.39 97.39 1.96e-71 . . . . 16406 1 15 no PDB 4GGQ . "Crystal Structure Of A Smt Fusion Peptidyl-prolyl Cis-trans Isomerase From Burkholderia Pseudomallei Complexed With Cj40" . . . . . 98.29 209 98.26 98.26 8.10e-73 . . . . 16406 1 16 no PDB 4GIV . "Crystal Structure Of A Smt Fusion Peptidyl-prolyl Cis-trans Isomerase With Surface Mutation D44g From Burkholderia Pseudomallei" . . . . . 98.29 209 97.39 97.39 1.96e-71 . . . . 16406 1 17 no EMBL CAH39299 . "peptidyl-prolyl cis-trans isomerase [Burkholderia pseudomallei K96243]" . . . . . 96.58 113 100.00 100.00 1.27e-73 . . . . 16406 1 18 no EMBL CDU31864 . "peptidyl-prolyl cis-trans isomerase [Burkholderia pseudomallei]" . . . . . 96.58 113 100.00 100.00 1.27e-73 . . . . 16406 1 19 no EMBL CFB51428 . "peptidylprolyl isomerase [Burkholderia pseudomallei]" . . . . . 96.58 113 100.00 100.00 1.27e-73 . . . . 16406 1 20 no EMBL CFD89802 . "peptidylprolyl isomerase [Burkholderia pseudomallei]" . . . . . 96.58 113 100.00 100.00 1.27e-73 . . . . 16406 1 21 no EMBL CFD92609 . "peptidylprolyl isomerase [Burkholderia pseudomallei]" . . . . . 96.58 113 99.12 99.12 4.55e-73 . . . . 16406 1 22 no GB ABA51599 . "peptidyl-prolyl cis-trans isomerase [Burkholderia pseudomallei 1710b]" . . . . . 96.58 113 100.00 100.00 1.27e-73 . . . . 16406 1 23 no GB ABC34056 . "FK506-binding protein [Burkholderia thailandensis E264]" . . . . . 96.58 113 98.23 99.12 1.78e-72 . . . . 16406 1 24 no GB ABN85861 . "FKBP-type peptidyl-prolyl cis-trans isomerase [Burkholderia pseudomallei 668]" . . . . . 96.58 113 100.00 100.00 1.27e-73 . . . . 16406 1 25 no GB ABN94560 . "peptidyl-prolyl cis-trans isomerase, FKBP-type [Burkholderia pseudomallei 1106a]" . . . . . 96.58 113 99.12 99.12 4.55e-73 . . . . 16406 1 26 no GB AFI70186 . "peptidyl-prolyl cis-trans isomerase [Burkholderia pseudomallei 1026b]" . . . . . 96.58 113 100.00 100.00 1.27e-73 . . . . 16406 1 27 no REF WP_004525093 . "MULTISPECIES: peptidyl-prolyl cis-trans isomerase [Burkholderia]" . . . . . 96.58 113 100.00 100.00 1.27e-73 . . . . 16406 1 28 no REF WP_004537279 . "peptidyl-prolyl cis-trans isomerase [Burkholderia pseudomallei]" . . . . . 96.58 113 99.12 99.12 4.55e-73 . . . . 16406 1 29 no REF WP_009895623 . "peptidyl-prolyl cis-trans isomerase [Burkholderia thailandensis]" . . . . . 96.58 113 98.23 99.12 1.78e-72 . . . . 16406 1 30 no REF WP_010110204 . "peptidyl-prolyl cis-trans isomerase [Burkholderia oklahomensis]" . . . . . 96.58 113 98.23 98.23 9.87e-72 . . . . 16406 1 31 no REF WP_010120234 . "peptidyl-prolyl cis-trans isomerase [Burkholderia oklahomensis]" . . . . . 96.58 113 98.23 99.12 1.37e-72 . . . . 16406 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16406 1 2 . PRO . 16406 1 3 . GLY . 16406 1 4 . SER . 16406 1 5 . MET . 16406 1 6 . THR . 16406 1 7 . VAL . 16406 1 8 . VAL . 16406 1 9 . THR . 16406 1 10 . THR . 16406 1 11 . GLU . 16406 1 12 . SER . 16406 1 13 . GLY . 16406 1 14 . LEU . 16406 1 15 . LYS . 16406 1 16 . TYR . 16406 1 17 . GLU . 16406 1 18 . ASP . 16406 1 19 . LEU . 16406 1 20 . THR . 16406 1 21 . GLU . 16406 1 22 . GLY . 16406 1 23 . SER . 16406 1 24 . GLY . 16406 1 25 . ALA . 16406 1 26 . GLU . 16406 1 27 . ALA . 16406 1 28 . ARG . 16406 1 29 . ALA . 16406 1 30 . GLY . 16406 1 31 . GLN . 16406 1 32 . THR . 16406 1 33 . VAL . 16406 1 34 . SER . 16406 1 35 . VAL . 16406 1 36 . HIS . 16406 1 37 . TYR . 16406 1 38 . THR . 16406 1 39 . GLY . 16406 1 40 . TRP . 16406 1 41 . LEU . 16406 1 42 . THR . 16406 1 43 . ASP . 16406 1 44 . GLY . 16406 1 45 . GLN . 16406 1 46 . LYS . 16406 1 47 . PHE . 16406 1 48 . ASP . 16406 1 49 . SER . 16406 1 50 . SER . 16406 1 51 . LYS . 16406 1 52 . ASP . 16406 1 53 . ARG . 16406 1 54 . ASN . 16406 1 55 . ASP . 16406 1 56 . PRO . 16406 1 57 . PHE . 16406 1 58 . ALA . 16406 1 59 . PHE . 16406 1 60 . VAL . 16406 1 61 . LEU . 16406 1 62 . GLY . 16406 1 63 . GLY . 16406 1 64 . GLY . 16406 1 65 . MET . 16406 1 66 . VAL . 16406 1 67 . ILE . 16406 1 68 . LYS . 16406 1 69 . GLY . 16406 1 70 . TRP . 16406 1 71 . ASP . 16406 1 72 . GLU . 16406 1 73 . GLY . 16406 1 74 . VAL . 16406 1 75 . GLN . 16406 1 76 . GLY . 16406 1 77 . MET . 16406 1 78 . LYS . 16406 1 79 . VAL . 16406 1 80 . GLY . 16406 1 81 . GLY . 16406 1 82 . VAL . 16406 1 83 . ARG . 16406 1 84 . ARG . 16406 1 85 . LEU . 16406 1 86 . THR . 16406 1 87 . ILE . 16406 1 88 . PRO . 16406 1 89 . PRO . 16406 1 90 . GLN . 16406 1 91 . LEU . 16406 1 92 . GLY . 16406 1 93 . TYR . 16406 1 94 . GLY . 16406 1 95 . ALA . 16406 1 96 . ARG . 16406 1 97 . GLY . 16406 1 98 . ALA . 16406 1 99 . GLY . 16406 1 100 . GLY . 16406 1 101 . VAL . 16406 1 102 . ILE . 16406 1 103 . PRO . 16406 1 104 . PRO . 16406 1 105 . ASN . 16406 1 106 . ALA . 16406 1 107 . THR . 16406 1 108 . LEU . 16406 1 109 . VAL . 16406 1 110 . PHE . 16406 1 111 . GLU . 16406 1 112 . VAL . 16406 1 113 . GLU . 16406 1 114 . LEU . 16406 1 115 . LEU . 16406 1 116 . ASP . 16406 1 117 . VAL . 16406 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16406 1 . PRO 2 2 16406 1 . GLY 3 3 16406 1 . SER 4 4 16406 1 . MET 5 5 16406 1 . THR 6 6 16406 1 . VAL 7 7 16406 1 . VAL 8 8 16406 1 . THR 9 9 16406 1 . THR 10 10 16406 1 . GLU 11 11 16406 1 . SER 12 12 16406 1 . GLY 13 13 16406 1 . LEU 14 14 16406 1 . LYS 15 15 16406 1 . TYR 16 16 16406 1 . GLU 17 17 16406 1 . ASP 18 18 16406 1 . LEU 19 19 16406 1 . THR 20 20 16406 1 . GLU 21 21 16406 1 . GLY 22 22 16406 1 . SER 23 23 16406 1 . GLY 24 24 16406 1 . ALA 25 25 16406 1 . GLU 26 26 16406 1 . ALA 27 27 16406 1 . ARG 28 28 16406 1 . ALA 29 29 16406 1 . GLY 30 30 16406 1 . GLN 31 31 16406 1 . THR 32 32 16406 1 . VAL 33 33 16406 1 . SER 34 34 16406 1 . VAL 35 35 16406 1 . HIS 36 36 16406 1 . TYR 37 37 16406 1 . THR 38 38 16406 1 . GLY 39 39 16406 1 . TRP 40 40 16406 1 . LEU 41 41 16406 1 . THR 42 42 16406 1 . ASP 43 43 16406 1 . GLY 44 44 16406 1 . GLN 45 45 16406 1 . LYS 46 46 16406 1 . PHE 47 47 16406 1 . ASP 48 48 16406 1 . SER 49 49 16406 1 . SER 50 50 16406 1 . LYS 51 51 16406 1 . ASP 52 52 16406 1 . ARG 53 53 16406 1 . ASN 54 54 16406 1 . ASP 55 55 16406 1 . PRO 56 56 16406 1 . PHE 57 57 16406 1 . ALA 58 58 16406 1 . PHE 59 59 16406 1 . VAL 60 60 16406 1 . LEU 61 61 16406 1 . GLY 62 62 16406 1 . GLY 63 63 16406 1 . GLY 64 64 16406 1 . MET 65 65 16406 1 . VAL 66 66 16406 1 . ILE 67 67 16406 1 . LYS 68 68 16406 1 . GLY 69 69 16406 1 . TRP 70 70 16406 1 . ASP 71 71 16406 1 . GLU 72 72 16406 1 . GLY 73 73 16406 1 . VAL 74 74 16406 1 . GLN 75 75 16406 1 . GLY 76 76 16406 1 . MET 77 77 16406 1 . LYS 78 78 16406 1 . VAL 79 79 16406 1 . GLY 80 80 16406 1 . GLY 81 81 16406 1 . VAL 82 82 16406 1 . ARG 83 83 16406 1 . ARG 84 84 16406 1 . LEU 85 85 16406 1 . THR 86 86 16406 1 . ILE 87 87 16406 1 . PRO 88 88 16406 1 . PRO 89 89 16406 1 . GLN 90 90 16406 1 . LEU 91 91 16406 1 . GLY 92 92 16406 1 . TYR 93 93 16406 1 . GLY 94 94 16406 1 . ALA 95 95 16406 1 . ARG 96 96 16406 1 . GLY 97 97 16406 1 . ALA 98 98 16406 1 . GLY 99 99 16406 1 . GLY 100 100 16406 1 . VAL 101 101 16406 1 . ILE 102 102 16406 1 . PRO 103 103 16406 1 . PRO 104 104 16406 1 . ASN 105 105 16406 1 . ALA 106 106 16406 1 . THR 107 107 16406 1 . LEU 108 108 16406 1 . VAL 109 109 16406 1 . PHE 110 110 16406 1 . GLU 111 111 16406 1 . VAL 112 112 16406 1 . GLU 113 113 16406 1 . LEU 114 114 16406 1 . LEU 115 115 16406 1 . ASP 116 116 16406 1 . VAL 117 117 16406 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 16406 _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 $entity . 28450 organism . 'Burkholderia pseudomallei' 'Burkholderia pseudomallei' . . Bacteria . Burkholderia pseudomallei . . . . . . . . . . . . . . . . . . . . . 16406 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 16406 _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 $entity . 'recombinant technology' 'Escherichia coli' 'E. coli' . 562 Escherichia coli 'Rosetta pLys' . . . . . . . . . . . . . . . AVA . . . . . . 16406 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_C13_N15-labeled _Sample.Sf_category sample _Sample.Sf_framecode C13_N15-labeled _Sample.Entry_ID 16406 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 16406 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16406 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16406 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16406 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16406 1 stop_ save_ save_N15-labeled _Sample.Sf_category sample _Sample.Sf_framecode N15-labeled _Sample.Entry_ID 16406 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 16406 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16406 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16406 2 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16406 2 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16406 2 stop_ save_ save_N15-labeled_2 _Sample.Sf_category sample _Sample.Sf_framecode N15-labeled_2 _Sample.Entry_ID 16406 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-100% 15N]' . . 1 $entity . . 0.5 . . mM . . . . 16406 3 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16406 3 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16406 3 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16406 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16406 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 16406 1 pH 7.0 . pH 16406 1 pressure 1 . atm 16406 1 temperature 298 . K 16406 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16406 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P.GUNTERT ET AL.' . . 16406 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16406 1 'structure solution' 16406 1 stop_ save_ save_CCPNMR_Analysis _Software.Sf_category software _Software.Sf_framecode CCPNMR_Analysis _Software.Entry_ID 16406 _Software.ID 2 _Software.Name ANALYSIS _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16406 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16406 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16406 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16406 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16406 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16406 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16406 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16406 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 600 . . . 16406 1 2 spectrometer_2 Bruker AMX . 750 . . . 16406 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 16406 _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 CBCA(CO)NH' no . . . . . . . . . . 1 $C13_N15-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16406 1 2 '3D HNCACB' no . . . . . . . . . . 1 $C13_N15-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16406 1 3 '3D HNCA' no . . . . . . . . . . 1 $C13_N15-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16406 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $C13_N15-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16406 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $C13_N15-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16406 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $C13_N15-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16406 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $N15-labeled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16406 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $N15-labeled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16406 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $N15-labeled_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16406 1 10 '2D 1H-1H TOCSY' no . . . . . . . . . . 3 $N15-labeled_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16406 1 11 '2D 1H-1H NOESY' no . . . . . . . . . . 3 $N15-labeled_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16406 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $N15-labeled isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16406 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16406 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16406 1 H 1 water protons . . . . ppm 4.71 internal direct 1 . . . . . . . . . 16406 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16406 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16406 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D CBCA(CO)NH' . . . 16406 1 2 '3D HNCACB' . . . 16406 1 3 '3D HNCA' . . . 16406 1 4 '3D HN(CO)CA' . . . 16406 1 5 '3D HCCH-TOCSY' . . . 16406 1 12 '3D 1H-15N TOCSY' . . . 16406 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CYANA . . 16406 1 2 $CCPNMR_Analysis . . 16406 1 3 $NMRPipe . . 16406 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.477 0.020 . 1 . . . . 2 PRO HA . 16406 1 2 . 1 1 2 2 PRO HB2 H 1 1.990 0.020 . 2 . . . . 2 PRO HB2 . 16406 1 3 . 1 1 2 2 PRO HB3 H 1 2.290 0.020 . 2 . . . . 2 PRO HB3 . 16406 1 4 . 1 1 2 2 PRO HD2 H 1 3.568 0.020 . 2 . . . . 2 PRO HD2 . 16406 1 5 . 1 1 2 2 PRO HD3 H 1 3.568 0.020 . 2 . . . . 2 PRO HD3 . 16406 1 6 . 1 1 2 2 PRO HG2 H 1 2.010 0.020 . 2 . . . . 2 PRO HG2 . 16406 1 7 . 1 1 2 2 PRO HG3 H 1 2.010 0.020 . 2 . . . . 2 PRO HG3 . 16406 1 8 . 1 1 2 2 PRO CA C 13 63.440 0.400 . 1 . . . . 2 PRO CA . 16406 1 9 . 1 1 2 2 PRO CB C 13 32.211 0.400 . 1 . . . . 2 PRO CB . 16406 1 10 . 1 1 2 2 PRO CD C 13 49.836 0.400 . 1 . . . . 2 PRO CD . 16406 1 11 . 1 1 2 2 PRO CG C 13 27.108 0.400 . 1 . . . . 2 PRO CG . 16406 1 12 . 1 1 3 3 GLY H H 1 8.688 0.020 . 1 . . . . 3 GLY H . 16406 1 13 . 1 1 3 3 GLY HA2 H 1 3.969 0.020 . 2 . . . . 3 GLY HA2 . 16406 1 14 . 1 1 3 3 GLY HA3 H 1 3.969 0.020 . 2 . . . . 3 GLY HA3 . 16406 1 15 . 1 1 3 3 GLY CA C 13 45.282 0.400 . 1 . . . . 3 GLY CA . 16406 1 16 . 1 1 3 3 GLY N N 15 110.245 0.400 . 1 . . . . 3 GLY N . 16406 1 17 . 1 1 4 4 SER H H 1 8.325 0.020 . 1 . . . . 4 SER H . 16406 1 18 . 1 1 4 4 SER HA H 1 4.446 0.020 . 1 . . . . 4 SER HA . 16406 1 19 . 1 1 4 4 SER HB2 H 1 3.855 0.020 . 2 . . . . 4 SER HB2 . 16406 1 20 . 1 1 4 4 SER HB3 H 1 3.855 0.020 . 2 . . . . 4 SER HB3 . 16406 1 21 . 1 1 4 4 SER CA C 13 58.459 0.400 . 1 . . . . 4 SER CA . 16406 1 22 . 1 1 4 4 SER CB C 13 63.870 0.400 . 1 . . . . 4 SER CB . 16406 1 23 . 1 1 4 4 SER N N 15 115.801 0.400 . 1 . . . . 4 SER N . 16406 1 24 . 1 1 5 5 MET H H 1 8.649 0.020 . 1 . . . . 5 MET H . 16406 1 25 . 1 1 5 5 MET HA H 1 4.545 0.020 . 1 . . . . 5 MET HA . 16406 1 26 . 1 1 5 5 MET HB2 H 1 2.054 0.020 . 2 . . . . 5 MET HB2 . 16406 1 27 . 1 1 5 5 MET HB3 H 1 2.141 0.020 . 2 . . . . 5 MET HB3 . 16406 1 28 . 1 1 5 5 MET HE1 H 1 2.161 0.020 . 1 . . . . 5 MET HE . 16406 1 29 . 1 1 5 5 MET HE2 H 1 2.161 0.020 . 1 . . . . 5 MET HE . 16406 1 30 . 1 1 5 5 MET HE3 H 1 2.161 0.020 . 1 . . . . 5 MET HE . 16406 1 31 . 1 1 5 5 MET HG2 H 1 2.524 0.020 . 2 . . . . 5 MET HG2 . 16406 1 32 . 1 1 5 5 MET HG3 H 1 2.596 0.020 . 2 . . . . 5 MET HG3 . 16406 1 33 . 1 1 5 5 MET CA C 13 55.720 0.400 . 1 . . . . 5 MET CA . 16406 1 34 . 1 1 5 5 MET CB C 13 32.634 0.400 . 1 . . . . 5 MET CB . 16406 1 35 . 1 1 5 5 MET CE C 13 17.064 0.400 . 1 . . . . 5 MET CE . 16406 1 36 . 1 1 5 5 MET CG C 13 32.233 0.400 . 1 . . . . 5 MET CG . 16406 1 37 . 1 1 5 5 MET N N 15 122.381 0.400 . 1 . . . . 5 MET N . 16406 1 38 . 1 1 6 6 THR H H 1 8.269 0.020 . 1 . . . . 6 THR H . 16406 1 39 . 1 1 6 6 THR HA H 1 4.289 0.020 . 1 . . . . 6 THR HA . 16406 1 40 . 1 1 6 6 THR HB H 1 4.130 0.020 . 1 . . . . 6 THR HB . 16406 1 41 . 1 1 6 6 THR HG21 H 1 1.133 0.020 . 1 . . . . 6 THR HG2 . 16406 1 42 . 1 1 6 6 THR HG22 H 1 1.133 0.020 . 1 . . . . 6 THR HG2 . 16406 1 43 . 1 1 6 6 THR HG23 H 1 1.133 0.020 . 1 . . . . 6 THR HG2 . 16406 1 44 . 1 1 6 6 THR CA C 13 62.314 0.400 . 1 . . . . 6 THR CA . 16406 1 45 . 1 1 6 6 THR CB C 13 69.881 0.400 . 1 . . . . 6 THR CB . 16406 1 46 . 1 1 6 6 THR CG2 C 13 21.834 0.400 . 1 . . . . 6 THR CG2 . 16406 1 47 . 1 1 6 6 THR N N 15 116.221 0.400 . 1 . . . . 6 THR N . 16406 1 48 . 1 1 7 7 VAL H H 1 8.098 0.020 . 1 . . . . 7 VAL H . 16406 1 49 . 1 1 7 7 VAL HA H 1 4.190 0.020 . 1 . . . . 7 VAL HA . 16406 1 50 . 1 1 7 7 VAL HB H 1 1.860 0.020 . 1 . . . . 7 VAL HB . 16406 1 51 . 1 1 7 7 VAL HG11 H 1 0.738 0.020 . 2 . . . . 7 VAL HG1 . 16406 1 52 . 1 1 7 7 VAL HG12 H 1 0.738 0.020 . 2 . . . . 7 VAL HG1 . 16406 1 53 . 1 1 7 7 VAL HG13 H 1 0.738 0.020 . 2 . . . . 7 VAL HG1 . 16406 1 54 . 1 1 7 7 VAL HG21 H 1 0.833 0.020 . 2 . . . . 7 VAL HG2 . 16406 1 55 . 1 1 7 7 VAL HG22 H 1 0.833 0.020 . 2 . . . . 7 VAL HG2 . 16406 1 56 . 1 1 7 7 VAL HG23 H 1 0.833 0.020 . 2 . . . . 7 VAL HG2 . 16406 1 57 . 1 1 7 7 VAL CA C 13 62.169 0.400 . 1 . . . . 7 VAL CA . 16406 1 58 . 1 1 7 7 VAL CB C 13 32.814 0.400 . 1 . . . . 7 VAL CB . 16406 1 59 . 1 1 7 7 VAL CG1 C 13 21.113 0.400 . 1 . . . . 7 VAL CG1 . 16406 1 60 . 1 1 7 7 VAL CG2 C 13 21.246 0.400 . 1 . . . . 7 VAL CG2 . 16406 1 61 . 1 1 7 7 VAL N N 15 124.640 0.400 . 1 . . . . 7 VAL N . 16406 1 62 . 1 1 8 8 VAL H H 1 9.036 0.020 . 1 . . . . 8 VAL H . 16406 1 63 . 1 1 8 8 VAL HA H 1 3.861 0.020 . 1 . . . . 8 VAL HA . 16406 1 64 . 1 1 8 8 VAL HB H 1 0.513 0.020 . 1 . . . . 8 VAL HB . 16406 1 65 . 1 1 8 8 VAL HG11 H 1 0.556 0.020 . 2 . . . . 8 VAL HG1 . 16406 1 66 . 1 1 8 8 VAL HG12 H 1 0.556 0.020 . 2 . . . . 8 VAL HG1 . 16406 1 67 . 1 1 8 8 VAL HG13 H 1 0.556 0.020 . 2 . . . . 8 VAL HG1 . 16406 1 68 . 1 1 8 8 VAL HG21 H 1 0.606 0.020 . 2 . . . . 8 VAL HG2 . 16406 1 69 . 1 1 8 8 VAL HG22 H 1 0.606 0.020 . 2 . . . . 8 VAL HG2 . 16406 1 70 . 1 1 8 8 VAL HG23 H 1 0.606 0.020 . 2 . . . . 8 VAL HG2 . 16406 1 71 . 1 1 8 8 VAL CA C 13 61.956 0.400 . 1 . . . . 8 VAL CA . 16406 1 72 . 1 1 8 8 VAL CB C 13 33.205 0.400 . 1 . . . . 8 VAL CB . 16406 1 73 . 1 1 8 8 VAL CG1 C 13 21.085 0.400 . 1 . . . . 8 VAL CG1 . 16406 1 74 . 1 1 8 8 VAL N N 15 132.526 0.400 . 1 . . . . 8 VAL N . 16406 1 75 . 1 1 9 9 THR H H 1 8.237 0.020 . 1 . . . . 9 THR H . 16406 1 76 . 1 1 9 9 THR HA H 1 5.246 0.020 . 1 . . . . 9 THR HA . 16406 1 77 . 1 1 9 9 THR HB H 1 3.887 0.020 . 1 . . . . 9 THR HB . 16406 1 78 . 1 1 9 9 THR HG21 H 1 1.160 0.020 . 1 . . . . 9 THR HG2 . 16406 1 79 . 1 1 9 9 THR HG22 H 1 1.160 0.020 . 1 . . . . 9 THR HG2 . 16406 1 80 . 1 1 9 9 THR HG23 H 1 1.160 0.020 . 1 . . . . 9 THR HG2 . 16406 1 81 . 1 1 9 9 THR CA C 13 61.107 0.400 . 1 . . . . 9 THR CA . 16406 1 82 . 1 1 9 9 THR CB C 13 69.755 0.400 . 1 . . . . 9 THR CB . 16406 1 83 . 1 1 9 9 THR CG2 C 13 20.658 0.400 . 1 . . . . 9 THR CG2 . 16406 1 84 . 1 1 9 9 THR N N 15 121.397 0.400 . 1 . . . . 9 THR N . 16406 1 85 . 1 1 10 10 THR H H 1 9.323 0.020 . 1 . . . . 10 THR H . 16406 1 86 . 1 1 10 10 THR HA H 1 4.690 0.020 . 1 . . . . 10 THR HA . 16406 1 87 . 1 1 10 10 THR HB H 1 4.677 0.020 . 1 . . . . 10 THR HB . 16406 1 88 . 1 1 10 10 THR HG21 H 1 1.252 0.020 . 1 . . . . 10 THR HG2 . 16406 1 89 . 1 1 10 10 THR HG22 H 1 1.252 0.020 . 1 . . . . 10 THR HG2 . 16406 1 90 . 1 1 10 10 THR HG23 H 1 1.252 0.020 . 1 . . . . 10 THR HG2 . 16406 1 91 . 1 1 10 10 THR CA C 13 60.284 0.400 . 1 . . . . 10 THR CA . 16406 1 92 . 1 1 10 10 THR CB C 13 69.932 0.400 . 1 . . . . 10 THR CB . 16406 1 93 . 1 1 10 10 THR CG2 C 13 21.759 0.400 . 1 . . . . 10 THR CG2 . 16406 1 94 . 1 1 10 10 THR N N 15 119.897 0.400 . 1 . . . . 10 THR N . 16406 1 95 . 1 1 11 11 GLU H H 1 9.081 0.020 . 1 . . . . 11 GLU H . 16406 1 96 . 1 1 11 11 GLU HA H 1 4.019 0.020 . 1 . . . . 11 GLU HA . 16406 1 97 . 1 1 11 11 GLU HB2 H 1 2.071 0.020 . 2 . . . . 11 GLU HB2 . 16406 1 98 . 1 1 11 11 GLU HB3 H 1 2.071 0.020 . 2 . . . . 11 GLU HB3 . 16406 1 99 . 1 1 11 11 GLU HG2 H 1 2.345 0.020 . 2 . . . . 11 GLU HG2 . 16406 1 100 . 1 1 11 11 GLU HG3 H 1 2.345 0.020 . 2 . . . . 11 GLU HG3 . 16406 1 101 . 1 1 11 11 GLU CA C 13 59.186 0.400 . 1 . . . . 11 GLU CA . 16406 1 102 . 1 1 11 11 GLU CB C 13 29.671 0.400 . 1 . . . . 11 GLU CB . 16406 1 103 . 1 1 11 11 GLU CG C 13 36.090 0.400 . 1 . . . . 11 GLU CG . 16406 1 104 . 1 1 11 11 GLU N N 15 120.618 0.400 . 1 . . . . 11 GLU N . 16406 1 105 . 1 1 12 12 SER H H 1 8.442 0.020 . 1 . . . . 12 SER H . 16406 1 106 . 1 1 12 12 SER HA H 1 4.287 0.020 . 1 . . . . 12 SER HA . 16406 1 107 . 1 1 12 12 SER HB2 H 1 3.867 0.020 . 2 . . . . 12 SER HB2 . 16406 1 108 . 1 1 12 12 SER HB3 H 1 4.034 0.020 . 2 . . . . 12 SER HB3 . 16406 1 109 . 1 1 12 12 SER CA C 13 58.701 0.400 . 1 . . . . 12 SER CA . 16406 1 110 . 1 1 12 12 SER CB C 13 63.084 0.400 . 1 . . . . 12 SER CB . 16406 1 111 . 1 1 12 12 SER N N 15 114.374 0.400 . 1 . . . . 12 SER N . 16406 1 112 . 1 1 13 13 GLY H H 1 7.808 0.020 . 1 . . . . 13 GLY H . 16406 1 113 . 1 1 13 13 GLY HA2 H 1 3.412 0.020 . 2 . . . . 13 GLY HA2 . 16406 1 114 . 1 1 13 13 GLY HA3 H 1 4.386 0.020 . 2 . . . . 13 GLY HA3 . 16406 1 115 . 1 1 13 13 GLY CA C 13 44.224 0.400 . 1 . . . . 13 GLY CA . 16406 1 116 . 1 1 13 13 GLY N N 15 108.972 0.400 . 1 . . . . 13 GLY N . 16406 1 117 . 1 1 14 14 LEU H H 1 7.521 0.020 . 1 . . . . 14 LEU H . 16406 1 118 . 1 1 14 14 LEU HA H 1 3.970 0.020 . 1 . . . . 14 LEU HA . 16406 1 119 . 1 1 14 14 LEU HB2 H 1 1.244 0.020 . 2 . . . . 14 LEU HB2 . 16406 1 120 . 1 1 14 14 LEU HB3 H 1 2.170 0.020 . 2 . . . . 14 LEU HB3 . 16406 1 121 . 1 1 14 14 LEU HD11 H 1 0.916 0.020 . 2 . . . . 14 LEU HD1 . 16406 1 122 . 1 1 14 14 LEU HD12 H 1 0.916 0.020 . 2 . . . . 14 LEU HD1 . 16406 1 123 . 1 1 14 14 LEU HD13 H 1 0.916 0.020 . 2 . . . . 14 LEU HD1 . 16406 1 124 . 1 1 14 14 LEU HD21 H 1 1.088 0.020 . 2 . . . . 14 LEU HD2 . 16406 1 125 . 1 1 14 14 LEU HD22 H 1 1.088 0.020 . 2 . . . . 14 LEU HD2 . 16406 1 126 . 1 1 14 14 LEU HD23 H 1 1.088 0.020 . 2 . . . . 14 LEU HD2 . 16406 1 127 . 1 1 14 14 LEU HG H 1 1.674 0.020 . 1 . . . . 14 LEU HG . 16406 1 128 . 1 1 14 14 LEU CA C 13 56.342 0.400 . 1 . . . . 14 LEU CA . 16406 1 129 . 1 1 14 14 LEU CB C 13 41.681 0.400 . 1 . . . . 14 LEU CB . 16406 1 130 . 1 1 14 14 LEU CD1 C 13 26.587 0.400 . 1 . . . . 14 LEU CD1 . 16406 1 131 . 1 1 14 14 LEU CD2 C 13 25.587 0.400 . 1 . . . . 14 LEU CD2 . 16406 1 132 . 1 1 14 14 LEU CG C 13 27.012 0.400 . 1 . . . . 14 LEU CG . 16406 1 133 . 1 1 14 14 LEU N N 15 123.916 0.400 . 1 . . . . 14 LEU N . 16406 1 134 . 1 1 15 15 LYS H H 1 7.764 0.020 . 1 . . . . 15 LYS H . 16406 1 135 . 1 1 15 15 LYS HA H 1 5.943 0.020 . 1 . . . . 15 LYS HA . 16406 1 136 . 1 1 15 15 LYS HB2 H 1 1.648 0.020 . 2 . . . . 15 LYS HB2 . 16406 1 137 . 1 1 15 15 LYS HB3 H 1 1.648 0.020 . 2 . . . . 15 LYS HB3 . 16406 1 138 . 1 1 15 15 LYS HD2 H 1 1.549 0.020 . 2 . . . . 15 LYS HD2 . 16406 1 139 . 1 1 15 15 LYS HD3 H 1 1.549 0.020 . 2 . . . . 15 LYS HD3 . 16406 1 140 . 1 1 15 15 LYS HE2 H 1 2.884 0.020 . 2 . . . . 15 LYS HE2 . 16406 1 141 . 1 1 15 15 LYS HE3 H 1 2.884 0.020 . 2 . . . . 15 LYS HE3 . 16406 1 142 . 1 1 15 15 LYS HG2 H 1 1.444 0.020 . 2 . . . . 15 LYS HG2 . 16406 1 143 . 1 1 15 15 LYS HG3 H 1 1.574 0.020 . 2 . . . . 15 LYS HG3 . 16406 1 144 . 1 1 15 15 LYS CA C 13 54.110 0.400 . 1 . . . . 15 LYS CA . 16406 1 145 . 1 1 15 15 LYS CB C 13 36.277 0.400 . 1 . . . . 15 LYS CB . 16406 1 146 . 1 1 15 15 LYS CD C 13 29.000 0.400 . 1 . . . . 15 LYS CD . 16406 1 147 . 1 1 15 15 LYS CE C 13 42.416 0.400 . 1 . . . . 15 LYS CE . 16406 1 148 . 1 1 15 15 LYS CG C 13 25.582 0.400 . 1 . . . . 15 LYS CG . 16406 1 149 . 1 1 15 15 LYS N N 15 123.520 0.400 . 1 . . . . 15 LYS N . 16406 1 150 . 1 1 16 16 TYR H H 1 9.295 0.020 . 1 . . . . 16 TYR H . 16406 1 151 . 1 1 16 16 TYR HA H 1 5.998 0.020 . 1 . . . . 16 TYR HA . 16406 1 152 . 1 1 16 16 TYR HB2 H 1 2.793 0.020 . 2 . . . . 16 TYR HB2 . 16406 1 153 . 1 1 16 16 TYR HB3 H 1 2.873 0.020 . 2 . . . . 16 TYR HB3 . 16406 1 154 . 1 1 16 16 TYR HD1 H 1 6.533 0.020 . 1 . . . . 16 TYR HD1 . 16406 1 155 . 1 1 16 16 TYR HD2 H 1 6.533 0.020 . 1 . . . . 16 TYR HD2 . 16406 1 156 . 1 1 16 16 TYR HE1 H 1 6.632 0.020 . 1 . . . . 16 TYR HE1 . 16406 1 157 . 1 1 16 16 TYR HE2 H 1 6.632 0.020 . 1 . . . . 16 TYR HE2 . 16406 1 158 . 1 1 16 16 TYR CA C 13 55.818 0.400 . 1 . . . . 16 TYR CA . 16406 1 159 . 1 1 16 16 TYR CB C 13 43.350 0.400 . 1 . . . . 16 TYR CB . 16406 1 160 . 1 1 16 16 TYR N N 15 117.835 0.400 . 1 . . . . 16 TYR N . 16406 1 161 . 1 1 17 17 GLU H H 1 8.770 0.020 . 1 . . . . 17 GLU H . 16406 1 162 . 1 1 17 17 GLU HA H 1 4.852 0.020 . 1 . . . . 17 GLU HA . 16406 1 163 . 1 1 17 17 GLU HB2 H 1 1.863 0.020 . 2 . . . . 17 GLU HB2 . 16406 1 164 . 1 1 17 17 GLU HB3 H 1 1.992 0.020 . 2 . . . . 17 GLU HB3 . 16406 1 165 . 1 1 17 17 GLU HG2 H 1 1.992 0.020 . 2 . . . . 17 GLU HG2 . 16406 1 166 . 1 1 17 17 GLU HG3 H 1 2.123 0.020 . 2 . . . . 17 GLU HG3 . 16406 1 167 . 1 1 17 17 GLU CA C 13 54.168 0.400 . 1 . . . . 17 GLU CA . 16406 1 168 . 1 1 17 17 GLU CB C 13 34.908 0.400 . 1 . . . . 17 GLU CB . 16406 1 169 . 1 1 17 17 GLU CG C 13 36.138 0.400 . 1 . . . . 17 GLU CG . 16406 1 170 . 1 1 17 17 GLU N N 15 118.367 0.400 . 1 . . . . 17 GLU N . 16406 1 171 . 1 1 18 18 ASP H H 1 9.641 0.020 . 1 . . . . 18 ASP H . 16406 1 172 . 1 1 18 18 ASP HA H 1 5.279 0.020 . 1 . . . . 18 ASP HA . 16406 1 173 . 1 1 18 18 ASP HB2 H 1 2.184 0.020 . 2 . . . . 18 ASP HB2 . 16406 1 174 . 1 1 18 18 ASP HB3 H 1 2.672 0.020 . 2 . . . . 18 ASP HB3 . 16406 1 175 . 1 1 18 18 ASP CA C 13 55.769 0.400 . 1 . . . . 18 ASP CA . 16406 1 176 . 1 1 18 18 ASP CB C 13 40.949 0.400 . 1 . . . . 18 ASP CB . 16406 1 177 . 1 1 18 18 ASP N N 15 127.097 0.400 . 1 . . . . 18 ASP N . 16406 1 178 . 1 1 19 19 LEU H H 1 8.658 0.020 . 1 . . . . 19 LEU H . 16406 1 179 . 1 1 19 19 LEU HA H 1 4.278 0.020 . 1 . . . . 19 LEU HA . 16406 1 180 . 1 1 19 19 LEU HB2 H 1 1.604 0.020 . 2 . . . . 19 LEU HB2 . 16406 1 181 . 1 1 19 19 LEU HB3 H 1 1.604 0.020 . 2 . . . . 19 LEU HB3 . 16406 1 182 . 1 1 19 19 LEU HD11 H 1 0.726 0.020 . 2 . . . . 19 LEU HD1 . 16406 1 183 . 1 1 19 19 LEU HD12 H 1 0.726 0.020 . 2 . . . . 19 LEU HD1 . 16406 1 184 . 1 1 19 19 LEU HD13 H 1 0.726 0.020 . 2 . . . . 19 LEU HD1 . 16406 1 185 . 1 1 19 19 LEU HD21 H 1 0.868 0.020 . 2 . . . . 19 LEU HD2 . 16406 1 186 . 1 1 19 19 LEU HD22 H 1 0.868 0.020 . 2 . . . . 19 LEU HD2 . 16406 1 187 . 1 1 19 19 LEU HD23 H 1 0.868 0.020 . 2 . . . . 19 LEU HD2 . 16406 1 188 . 1 1 19 19 LEU HG H 1 1.624 0.020 . 1 . . . . 19 LEU HG . 16406 1 189 . 1 1 19 19 LEU CA C 13 56.812 0.400 . 1 . . . . 19 LEU CA . 16406 1 190 . 1 1 19 19 LEU CB C 13 41.112 0.400 . 1 . . . . 19 LEU CB . 16406 1 191 . 1 1 19 19 LEU CD1 C 13 22.053 0.400 . 1 . . . . 19 LEU CD1 . 16406 1 192 . 1 1 19 19 LEU CD2 C 13 25.494 0.400 . 1 . . . . 19 LEU CD2 . 16406 1 193 . 1 1 19 19 LEU CG C 13 27.492 0.400 . 1 . . . . 19 LEU CG . 16406 1 194 . 1 1 19 19 LEU N N 15 128.491 0.400 . 1 . . . . 19 LEU N . 16406 1 195 . 1 1 20 20 THR H H 1 8.182 0.020 . 1 . . . . 20 THR H . 16406 1 196 . 1 1 20 20 THR HA H 1 4.393 0.020 . 1 . . . . 20 THR HA . 16406 1 197 . 1 1 20 20 THR HB H 1 3.919 0.020 . 1 . . . . 20 THR HB . 16406 1 198 . 1 1 20 20 THR HG21 H 1 1.175 0.020 . 1 . . . . 20 THR HG2 . 16406 1 199 . 1 1 20 20 THR HG22 H 1 1.175 0.020 . 1 . . . . 20 THR HG2 . 16406 1 200 . 1 1 20 20 THR HG23 H 1 1.175 0.020 . 1 . . . . 20 THR HG2 . 16406 1 201 . 1 1 20 20 THR CA C 13 61.932 0.400 . 1 . . . . 20 THR CA . 16406 1 202 . 1 1 20 20 THR CB C 13 72.503 0.400 . 1 . . . . 20 THR CB . 16406 1 203 . 1 1 20 20 THR CG2 C 13 21.912 0.400 . 1 . . . . 20 THR CG2 . 16406 1 204 . 1 1 20 20 THR N N 15 112.560 0.400 . 1 . . . . 20 THR N . 16406 1 205 . 1 1 21 21 GLU H H 1 9.364 0.020 . 1 . . . . 21 GLU H . 16406 1 206 . 1 1 21 21 GLU HA H 1 4.361 0.020 . 1 . . . . 21 GLU HA . 16406 1 207 . 1 1 21 21 GLU HB2 H 1 1.977 0.020 . 2 . . . . 21 GLU HB2 . 16406 1 208 . 1 1 21 21 GLU HB3 H 1 1.977 0.020 . 2 . . . . 21 GLU HB3 . 16406 1 209 . 1 1 21 21 GLU HG2 H 1 2.303 0.020 . 2 . . . . 21 GLU HG2 . 16406 1 210 . 1 1 21 21 GLU HG3 H 1 2.303 0.020 . 2 . . . . 21 GLU HG3 . 16406 1 211 . 1 1 21 21 GLU CA C 13 56.356 0.400 . 1 . . . . 21 GLU CA . 16406 1 212 . 1 1 21 21 GLU CB C 13 30.272 0.400 . 1 . . . . 21 GLU CB . 16406 1 213 . 1 1 21 21 GLU CG C 13 36.536 0.400 . 1 . . . . 21 GLU CG . 16406 1 214 . 1 1 21 21 GLU N N 15 130.073 0.400 . 1 . . . . 21 GLU N . 16406 1 215 . 1 1 22 22 GLY H H 1 9.094 0.020 . 1 . . . . 22 GLY H . 16406 1 216 . 1 1 22 22 GLY HA2 H 1 3.439 0.020 . 2 . . . . 22 GLY HA2 . 16406 1 217 . 1 1 22 22 GLY HA3 H 1 3.731 0.020 . 2 . . . . 22 GLY HA3 . 16406 1 218 . 1 1 22 22 GLY CA C 13 45.352 0.400 . 1 . . . . 22 GLY CA . 16406 1 219 . 1 1 22 22 GLY N N 15 113.938 0.400 . 1 . . . . 22 GLY N . 16406 1 220 . 1 1 23 23 SER H H 1 8.059 0.020 . 1 . . . . 23 SER H . 16406 1 221 . 1 1 23 23 SER HA H 1 4.667 0.020 . 1 . . . . 23 SER HA . 16406 1 222 . 1 1 23 23 SER HB2 H 1 3.782 0.020 . 2 . . . . 23 SER HB2 . 16406 1 223 . 1 1 23 23 SER HB3 H 1 3.914 0.020 . 2 . . . . 23 SER HB3 . 16406 1 224 . 1 1 23 23 SER CA C 13 57.598 0.400 . 1 . . . . 23 SER CA . 16406 1 225 . 1 1 23 23 SER CB C 13 65.137 0.400 . 1 . . . . 23 SER CB . 16406 1 226 . 1 1 23 23 SER N N 15 111.667 0.400 . 1 . . . . 23 SER N . 16406 1 227 . 1 1 24 24 GLY H H 1 8.428 0.020 . 1 . . . . 24 GLY H . 16406 1 228 . 1 1 24 24 GLY HA2 H 1 3.690 0.020 . 2 . . . . 24 GLY HA2 . 16406 1 229 . 1 1 24 24 GLY HA3 H 1 4.315 0.020 . 2 . . . . 24 GLY HA3 . 16406 1 230 . 1 1 24 24 GLY CA C 13 44.132 0.400 . 1 . . . . 24 GLY CA . 16406 1 231 . 1 1 24 24 GLY N N 15 111.440 0.400 . 1 . . . . 24 GLY N . 16406 1 232 . 1 1 25 25 ALA H H 1 8.373 0.020 . 1 . . . . 25 ALA H . 16406 1 233 . 1 1 25 25 ALA HA H 1 4.048 0.020 . 1 . . . . 25 ALA HA . 16406 1 234 . 1 1 25 25 ALA HB1 H 1 1.281 0.020 . 1 . . . . 25 ALA HB . 16406 1 235 . 1 1 25 25 ALA HB2 H 1 1.281 0.020 . 1 . . . . 25 ALA HB . 16406 1 236 . 1 1 25 25 ALA HB3 H 1 1.281 0.020 . 1 . . . . 25 ALA HB . 16406 1 237 . 1 1 25 25 ALA CA C 13 52.582 0.400 . 1 . . . . 25 ALA CA . 16406 1 238 . 1 1 25 25 ALA CB C 13 19.756 0.400 . 1 . . . . 25 ALA CB . 16406 1 239 . 1 1 25 25 ALA N N 15 123.641 0.400 . 1 . . . . 25 ALA N . 16406 1 240 . 1 1 26 26 GLU H H 1 8.228 0.020 . 1 . . . . 26 GLU H . 16406 1 241 . 1 1 26 26 GLU HA H 1 4.489 0.020 . 1 . . . . 26 GLU HA . 16406 1 242 . 1 1 26 26 GLU HB2 H 1 1.752 0.020 . 2 . . . . 26 GLU HB2 . 16406 1 243 . 1 1 26 26 GLU HB3 H 1 1.752 0.020 . 2 . . . . 26 GLU HB3 . 16406 1 244 . 1 1 26 26 GLU HG2 H 1 1.991 0.020 . 2 . . . . 26 GLU HG2 . 16406 1 245 . 1 1 26 26 GLU HG3 H 1 1.991 0.020 . 2 . . . . 26 GLU HG3 . 16406 1 246 . 1 1 26 26 GLU CA C 13 55.148 0.400 . 1 . . . . 26 GLU CA . 16406 1 247 . 1 1 26 26 GLU CB C 13 31.832 0.400 . 1 . . . . 26 GLU CB . 16406 1 248 . 1 1 26 26 GLU CG C 13 36.622 0.400 . 1 . . . . 26 GLU CG . 16406 1 249 . 1 1 26 26 GLU N N 15 119.203 0.400 . 1 . . . . 26 GLU N . 16406 1 250 . 1 1 27 27 ALA H H 1 8.934 0.020 . 1 . . . . 27 ALA H . 16406 1 251 . 1 1 27 27 ALA HA H 1 4.521 0.020 . 1 . . . . 27 ALA HA . 16406 1 252 . 1 1 27 27 ALA HB1 H 1 1.146 0.020 . 1 . . . . 27 ALA HB . 16406 1 253 . 1 1 27 27 ALA HB2 H 1 1.146 0.020 . 1 . . . . 27 ALA HB . 16406 1 254 . 1 1 27 27 ALA HB3 H 1 1.146 0.020 . 1 . . . . 27 ALA HB . 16406 1 255 . 1 1 27 27 ALA CA C 13 51.894 0.400 . 1 . . . . 27 ALA CA . 16406 1 256 . 1 1 27 27 ALA CB C 13 19.108 0.400 . 1 . . . . 27 ALA CB . 16406 1 257 . 1 1 27 27 ALA N N 15 127.524 0.400 . 1 . . . . 27 ALA N . 16406 1 258 . 1 1 28 28 ARG H H 1 8.390 0.020 . 1 . . . . 28 ARG H . 16406 1 259 . 1 1 28 28 ARG HA H 1 4.557 0.020 . 1 . . . . 28 ARG HA . 16406 1 260 . 1 1 28 28 ARG HB2 H 1 1.516 0.020 . 2 . . . . 28 ARG HB2 . 16406 1 261 . 1 1 28 28 ARG HB3 H 1 1.758 0.020 . 2 . . . . 28 ARG HB3 . 16406 1 262 . 1 1 28 28 ARG HD2 H 1 3.100 0.020 . 2 . . . . 28 ARG HD2 . 16406 1 263 . 1 1 28 28 ARG HD3 H 1 3.100 0.020 . 2 . . . . 28 ARG HD3 . 16406 1 264 . 1 1 28 28 ARG HG2 H 1 1.499 0.020 . 2 . . . . 28 ARG HG2 . 16406 1 265 . 1 1 28 28 ARG HG3 H 1 1.499 0.020 . 2 . . . . 28 ARG HG3 . 16406 1 266 . 1 1 28 28 ARG CA C 13 53.581 0.400 . 1 . . . . 28 ARG CA . 16406 1 267 . 1 1 28 28 ARG CB C 13 33.581 0.400 . 1 . . . . 28 ARG CB . 16406 1 268 . 1 1 28 28 ARG CD C 13 43.285 0.400 . 1 . . . . 28 ARG CD . 16406 1 269 . 1 1 28 28 ARG CG C 13 26.852 0.400 . 1 . . . . 28 ARG CG . 16406 1 270 . 1 1 28 28 ARG N N 15 123.941 0.400 . 1 . . . . 28 ARG N . 16406 1 271 . 1 1 29 29 ALA H H 1 8.397 0.020 . 1 . . . . 29 ALA H . 16406 1 272 . 1 1 29 29 ALA HA H 1 3.583 0.020 . 1 . . . . 29 ALA HA . 16406 1 273 . 1 1 29 29 ALA HB1 H 1 1.263 0.020 . 1 . . . . 29 ALA HB . 16406 1 274 . 1 1 29 29 ALA HB2 H 1 1.263 0.020 . 1 . . . . 29 ALA HB . 16406 1 275 . 1 1 29 29 ALA HB3 H 1 1.263 0.020 . 1 . . . . 29 ALA HB . 16406 1 276 . 1 1 29 29 ALA CA C 13 53.587 0.400 . 1 . . . . 29 ALA CA . 16406 1 277 . 1 1 29 29 ALA CB C 13 17.668 0.400 . 1 . . . . 29 ALA CB . 16406 1 278 . 1 1 29 29 ALA N N 15 122.234 0.400 . 1 . . . . 29 ALA N . 16406 1 279 . 1 1 30 30 GLY H H 1 9.031 0.020 . 1 . . . . 30 GLY H . 16406 1 280 . 1 1 30 30 GLY HA2 H 1 3.435 0.020 . 2 . . . . 30 GLY HA2 . 16406 1 281 . 1 1 30 30 GLY HA3 H 1 4.357 0.020 . 2 . . . . 30 GLY HA3 . 16406 1 282 . 1 1 30 30 GLY CA C 13 44.550 0.400 . 1 . . . . 30 GLY CA . 16406 1 283 . 1 1 30 30 GLY N N 15 110.964 0.400 . 1 . . . . 30 GLY N . 16406 1 284 . 1 1 31 31 GLN H H 1 7.651 0.020 . 1 . . . . 31 GLN H . 16406 1 285 . 1 1 31 31 GLN HA H 1 4.325 0.020 . 1 . . . . 31 GLN HA . 16406 1 286 . 1 1 31 31 GLN HB2 H 1 1.971 0.020 . 2 . . . . 31 GLN HB2 . 16406 1 287 . 1 1 31 31 GLN HB3 H 1 2.172 0.020 . 2 . . . . 31 GLN HB3 . 16406 1 288 . 1 1 31 31 GLN HG2 H 1 2.222 0.020 . 2 . . . . 31 GLN HG2 . 16406 1 289 . 1 1 31 31 GLN HG3 H 1 2.418 0.020 . 2 . . . . 31 GLN HG3 . 16406 1 290 . 1 1 31 31 GLN CA C 13 55.427 0.400 . 1 . . . . 31 GLN CA . 16406 1 291 . 1 1 31 31 GLN CB C 13 30.171 0.400 . 1 . . . . 31 GLN CB . 16406 1 292 . 1 1 31 31 GLN CG C 13 34.495 0.400 . 1 . . . . 31 GLN CG . 16406 1 293 . 1 1 31 31 GLN N N 15 119.714 0.400 . 1 . . . . 31 GLN N . 16406 1 294 . 1 1 32 32 THR H H 1 8.770 0.020 . 1 . . . . 32 THR H . 16406 1 295 . 1 1 32 32 THR HA H 1 4.452 0.020 . 1 . . . . 32 THR HA . 16406 1 296 . 1 1 32 32 THR HB H 1 3.875 0.020 . 1 . . . . 32 THR HB . 16406 1 297 . 1 1 32 32 THR HG21 H 1 0.816 0.020 . 1 . . . . 32 THR HG2 . 16406 1 298 . 1 1 32 32 THR HG22 H 1 0.816 0.020 . 1 . . . . 32 THR HG2 . 16406 1 299 . 1 1 32 32 THR HG23 H 1 0.816 0.020 . 1 . . . . 32 THR HG2 . 16406 1 300 . 1 1 32 32 THR CA C 13 62.915 0.400 . 1 . . . . 32 THR CA . 16406 1 301 . 1 1 32 32 THR CB C 13 68.472 0.400 . 1 . . . . 32 THR CB . 16406 1 302 . 1 1 32 32 THR CG2 C 13 20.933 0.400 . 1 . . . . 32 THR CG2 . 16406 1 303 . 1 1 32 32 THR N N 15 119.606 0.400 . 1 . . . . 32 THR N . 16406 1 304 . 1 1 33 33 VAL H H 1 8.383 0.020 . 1 . . . . 33 VAL H . 16406 1 305 . 1 1 33 33 VAL HA H 1 4.684 0.020 . 1 . . . . 33 VAL HA . 16406 1 306 . 1 1 33 33 VAL HB H 1 1.831 0.020 . 1 . . . . 33 VAL HB . 16406 1 307 . 1 1 33 33 VAL HG11 H 1 -0.010 0.020 . 2 . . . . 33 VAL HG1 . 16406 1 308 . 1 1 33 33 VAL HG12 H 1 -0.010 0.020 . 2 . . . . 33 VAL HG1 . 16406 1 309 . 1 1 33 33 VAL HG13 H 1 -0.010 0.020 . 2 . . . . 33 VAL HG1 . 16406 1 310 . 1 1 33 33 VAL HG21 H 1 0.665 0.020 . 2 . . . . 33 VAL HG2 . 16406 1 311 . 1 1 33 33 VAL HG22 H 1 0.665 0.020 . 2 . . . . 33 VAL HG2 . 16406 1 312 . 1 1 33 33 VAL HG23 H 1 0.665 0.020 . 2 . . . . 33 VAL HG2 . 16406 1 313 . 1 1 33 33 VAL CA C 13 58.331 0.400 . 1 . . . . 33 VAL CA . 16406 1 314 . 1 1 33 33 VAL CB C 13 33.283 0.400 . 1 . . . . 33 VAL CB . 16406 1 315 . 1 1 33 33 VAL CG1 C 13 18.755 0.400 . 1 . . . . 33 VAL CG1 . 16406 1 316 . 1 1 33 33 VAL CG2 C 13 22.774 0.400 . 1 . . . . 33 VAL CG2 . 16406 1 317 . 1 1 33 33 VAL N N 15 120.461 0.400 . 1 . . . . 33 VAL N . 16406 1 318 . 1 1 34 34 SER H H 1 7.872 0.020 . 1 . . . . 34 SER H . 16406 1 319 . 1 1 34 34 SER HA H 1 5.234 0.020 . 1 . . . . 34 SER HA . 16406 1 320 . 1 1 34 34 SER HB2 H 1 3.438 0.020 . 2 . . . . 34 SER HB2 . 16406 1 321 . 1 1 34 34 SER HB3 H 1 3.503 0.020 . 2 . . . . 34 SER HB3 . 16406 1 322 . 1 1 34 34 SER CA C 13 56.481 0.400 . 1 . . . . 34 SER CA . 16406 1 323 . 1 1 34 34 SER CB C 13 64.803 0.400 . 1 . . . . 34 SER CB . 16406 1 324 . 1 1 34 34 SER N N 15 113.609 0.400 . 1 . . . . 34 SER N . 16406 1 325 . 1 1 35 35 VAL H H 1 9.516 0.020 . 1 . . . . 35 VAL H . 16406 1 326 . 1 1 35 35 VAL HA H 1 5.683 0.020 . 1 . . . . 35 VAL HA . 16406 1 327 . 1 1 35 35 VAL HB H 1 2.346 0.020 . 1 . . . . 35 VAL HB . 16406 1 328 . 1 1 35 35 VAL HG11 H 1 0.804 0.020 . 2 . . . . 35 VAL HG1 . 16406 1 329 . 1 1 35 35 VAL HG12 H 1 0.804 0.020 . 2 . . . . 35 VAL HG1 . 16406 1 330 . 1 1 35 35 VAL HG13 H 1 0.804 0.020 . 2 . . . . 35 VAL HG1 . 16406 1 331 . 1 1 35 35 VAL HG21 H 1 1.126 0.020 . 2 . . . . 35 VAL HG2 . 16406 1 332 . 1 1 35 35 VAL HG22 H 1 1.126 0.020 . 2 . . . . 35 VAL HG2 . 16406 1 333 . 1 1 35 35 VAL HG23 H 1 1.126 0.020 . 2 . . . . 35 VAL HG2 . 16406 1 334 . 1 1 35 35 VAL CA C 13 58.172 0.400 . 1 . . . . 35 VAL CA . 16406 1 335 . 1 1 35 35 VAL CB C 13 35.478 0.400 . 1 . . . . 35 VAL CB . 16406 1 336 . 1 1 35 35 VAL CG1 C 13 19.459 0.400 . 1 . . . . 35 VAL CG1 . 16406 1 337 . 1 1 35 35 VAL CG2 C 13 21.450 0.400 . 1 . . . . 35 VAL CG2 . 16406 1 338 . 1 1 35 35 VAL N N 15 118.028 0.400 . 1 . . . . 35 VAL N . 16406 1 339 . 1 1 36 36 HIS H H 1 8.792 0.020 . 1 . . . . 36 HIS H . 16406 1 340 . 1 1 36 36 HIS HA H 1 5.767 0.020 . 1 . . . . 36 HIS HA . 16406 1 341 . 1 1 36 36 HIS HB2 H 1 2.736 0.020 . 2 . . . . 36 HIS HB2 . 16406 1 342 . 1 1 36 36 HIS HB3 H 1 2.899 0.020 . 2 . . . . 36 HIS HB3 . 16406 1 343 . 1 1 36 36 HIS HD2 H 1 6.977 0.020 . 1 . . . . 36 HIS HD2 . 16406 1 344 . 1 1 36 36 HIS HE1 H 1 7.124 0.020 . 1 . . . . 36 HIS HE1 . 16406 1 345 . 1 1 36 36 HIS CA C 13 54.669 0.400 . 1 . . . . 36 HIS CA . 16406 1 346 . 1 1 36 36 HIS CB C 13 35.680 0.400 . 1 . . . . 36 HIS CB . 16406 1 347 . 1 1 36 36 HIS N N 15 118.105 0.400 . 1 . . . . 36 HIS N . 16406 1 348 . 1 1 37 37 TYR H H 1 9.624 0.020 . 1 . . . . 37 TYR H . 16406 1 349 . 1 1 37 37 TYR HA H 1 6.117 0.020 . 1 . . . . 37 TYR HA . 16406 1 350 . 1 1 37 37 TYR HB2 H 1 2.774 0.020 . 2 . . . . 37 TYR HB2 . 16406 1 351 . 1 1 37 37 TYR HB3 H 1 2.884 0.020 . 2 . . . . 37 TYR HB3 . 16406 1 352 . 1 1 37 37 TYR HD1 H 1 6.885 0.020 . 1 . . . . 37 TYR HD1 . 16406 1 353 . 1 1 37 37 TYR HD2 H 1 6.885 0.020 . 1 . . . . 37 TYR HD2 . 16406 1 354 . 1 1 37 37 TYR HE1 H 1 6.634 0.020 . 1 . . . . 37 TYR HE1 . 16406 1 355 . 1 1 37 37 TYR HE2 H 1 6.634 0.020 . 1 . . . . 37 TYR HE2 . 16406 1 356 . 1 1 37 37 TYR CA C 13 56.117 0.400 . 1 . . . . 37 TYR CA . 16406 1 357 . 1 1 37 37 TYR CB C 13 43.489 0.400 . 1 . . . . 37 TYR CB . 16406 1 358 . 1 1 37 37 TYR N N 15 116.958 0.400 . 1 . . . . 37 TYR N . 16406 1 359 . 1 1 38 38 THR H H 1 8.388 0.020 . 1 . . . . 38 THR H . 16406 1 360 . 1 1 38 38 THR HA H 1 4.267 0.020 . 1 . . . . 38 THR HA . 16406 1 361 . 1 1 38 38 THR HB H 1 3.342 0.020 . 1 . . . . 38 THR HB . 16406 1 362 . 1 1 38 38 THR HG21 H 1 0.062 0.020 . 1 . . . . 38 THR HG2 . 16406 1 363 . 1 1 38 38 THR HG22 H 1 0.062 0.020 . 1 . . . . 38 THR HG2 . 16406 1 364 . 1 1 38 38 THR HG23 H 1 0.062 0.020 . 1 . . . . 38 THR HG2 . 16406 1 365 . 1 1 38 38 THR CA C 13 62.850 0.400 . 1 . . . . 38 THR CA . 16406 1 366 . 1 1 38 38 THR CB C 13 71.685 0.400 . 1 . . . . 38 THR CB . 16406 1 367 . 1 1 38 38 THR CG2 C 13 21.737 0.400 . 1 . . . . 38 THR CG2 . 16406 1 368 . 1 1 38 38 THR N N 15 117.054 0.400 . 1 . . . . 38 THR N . 16406 1 369 . 1 1 39 39 GLY H H 1 8.370 0.020 . 1 . . . . 39 GLY H . 16406 1 370 . 1 1 39 39 GLY HA2 H 1 1.978 0.020 . 2 . . . . 39 GLY HA2 . 16406 1 371 . 1 1 39 39 GLY HA3 H 1 4.643 0.020 . 2 . . . . 39 GLY HA3 . 16406 1 372 . 1 1 39 39 GLY CA C 13 44.902 0.400 . 1 . . . . 39 GLY CA . 16406 1 373 . 1 1 39 39 GLY N N 15 113.011 0.400 . 1 . . . . 39 GLY N . 16406 1 374 . 1 1 40 40 TRP H H 1 9.762 0.020 . 1 . . . . 40 TRP H . 16406 1 375 . 1 1 40 40 TRP HA H 1 5.532 0.020 . 1 . . . . 40 TRP HA . 16406 1 376 . 1 1 40 40 TRP HB2 H 1 2.854 0.020 . 2 . . . . 40 TRP HB2 . 16406 1 377 . 1 1 40 40 TRP HB3 H 1 3.192 0.020 . 2 . . . . 40 TRP HB3 . 16406 1 378 . 1 1 40 40 TRP HD1 H 1 7.068 0.020 . 1 . . . . 40 TRP HD1 . 16406 1 379 . 1 1 40 40 TRP HE3 H 1 7.477 0.020 . 1 . . . . 40 TRP HE3 . 16406 1 380 . 1 1 40 40 TRP HH2 H 1 7.009 0.020 . 1 . . . . 40 TRP HH2 . 16406 1 381 . 1 1 40 40 TRP HZ2 H 1 7.368 0.020 . 1 . . . . 40 TRP HZ2 . 16406 1 382 . 1 1 40 40 TRP HZ3 H 1 6.848 0.020 . 1 . . . . 40 TRP HZ3 . 16406 1 383 . 1 1 40 40 TRP CA C 13 57.105 0.400 . 1 . . . . 40 TRP CA . 16406 1 384 . 1 1 40 40 TRP CB C 13 33.998 0.400 . 1 . . . . 40 TRP CB . 16406 1 385 . 1 1 40 40 TRP N N 15 123.732 0.400 . 1 . . . . 40 TRP N . 16406 1 386 . 1 1 41 41 LEU H H 1 8.809 0.020 . 1 . . . . 41 LEU H . 16406 1 387 . 1 1 41 41 LEU HA H 1 5.017 0.020 . 1 . . . . 41 LEU HA . 16406 1 388 . 1 1 41 41 LEU HB2 H 1 1.897 0.020 . 2 . . . . 41 LEU HB2 . 16406 1 389 . 1 1 41 41 LEU HB3 H 1 2.403 0.020 . 2 . . . . 41 LEU HB3 . 16406 1 390 . 1 1 41 41 LEU HD11 H 1 0.809 0.020 . 2 . . . . 41 LEU HD1 . 16406 1 391 . 1 1 41 41 LEU HD12 H 1 0.809 0.020 . 2 . . . . 41 LEU HD1 . 16406 1 392 . 1 1 41 41 LEU HD13 H 1 0.809 0.020 . 2 . . . . 41 LEU HD1 . 16406 1 393 . 1 1 41 41 LEU HD21 H 1 1.042 0.020 . 2 . . . . 41 LEU HD2 . 16406 1 394 . 1 1 41 41 LEU HD22 H 1 1.042 0.020 . 2 . . . . 41 LEU HD2 . 16406 1 395 . 1 1 41 41 LEU HD23 H 1 1.042 0.020 . 2 . . . . 41 LEU HD2 . 16406 1 396 . 1 1 41 41 LEU HG H 1 1.939 0.020 . 1 . . . . 41 LEU HG . 16406 1 397 . 1 1 41 41 LEU CA C 13 53.937 0.400 . 1 . . . . 41 LEU CA . 16406 1 398 . 1 1 41 41 LEU CB C 13 41.852 0.400 . 1 . . . . 41 LEU CB . 16406 1 399 . 1 1 41 41 LEU CD1 C 13 22.943 0.400 . 1 . . . . 41 LEU CD1 . 16406 1 400 . 1 1 41 41 LEU CD2 C 13 25.492 0.400 . 1 . . . . 41 LEU CD2 . 16406 1 401 . 1 1 41 41 LEU CG C 13 27.870 0.400 . 1 . . . . 41 LEU CG . 16406 1 402 . 1 1 41 41 LEU N N 15 119.161 0.400 . 1 . . . . 41 LEU N . 16406 1 403 . 1 1 42 42 THR H H 1 9.461 0.020 . 1 . . . . 42 THR H . 16406 1 404 . 1 1 42 42 THR HA H 1 3.954 0.020 . 1 . . . . 42 THR HA . 16406 1 405 . 1 1 42 42 THR HB H 1 4.414 0.020 . 1 . . . . 42 THR HB . 16406 1 406 . 1 1 42 42 THR HG21 H 1 1.243 0.020 . 1 . . . . 42 THR HG2 . 16406 1 407 . 1 1 42 42 THR HG22 H 1 1.243 0.020 . 1 . . . . 42 THR HG2 . 16406 1 408 . 1 1 42 42 THR HG23 H 1 1.243 0.020 . 1 . . . . 42 THR HG2 . 16406 1 409 . 1 1 42 42 THR CA C 13 64.977 0.400 . 1 . . . . 42 THR CA . 16406 1 410 . 1 1 42 42 THR CB C 13 68.694 0.400 . 1 . . . . 42 THR CB . 16406 1 411 . 1 1 42 42 THR CG2 C 13 22.570 0.400 . 1 . . . . 42 THR CG2 . 16406 1 412 . 1 1 42 42 THR N N 15 112.912 0.400 . 1 . . . . 42 THR N . 16406 1 413 . 1 1 43 43 ASP H H 1 7.706 0.020 . 1 . . . . 43 ASP H . 16406 1 414 . 1 1 43 43 ASP HA H 1 4.529 0.020 . 1 . . . . 43 ASP HA . 16406 1 415 . 1 1 43 43 ASP HB2 H 1 2.597 0.020 . 2 . . . . 43 ASP HB2 . 16406 1 416 . 1 1 43 43 ASP HB3 H 1 3.026 0.020 . 2 . . . . 43 ASP HB3 . 16406 1 417 . 1 1 43 43 ASP CA C 13 53.618 0.400 . 1 . . . . 43 ASP CA . 16406 1 418 . 1 1 43 43 ASP CB C 13 40.192 0.400 . 1 . . . . 43 ASP CB . 16406 1 419 . 1 1 43 43 ASP N N 15 118.787 0.400 . 1 . . . . 43 ASP N . 16406 1 420 . 1 1 44 44 GLY H H 1 8.085 0.020 . 1 . . . . 44 GLY H . 16406 1 421 . 1 1 44 44 GLY HA2 H 1 3.512 0.020 . 2 . . . . 44 GLY HA2 . 16406 1 422 . 1 1 44 44 GLY HA3 H 1 4.296 0.020 . 2 . . . . 44 GLY HA3 . 16406 1 423 . 1 1 44 44 GLY CA C 13 44.926 0.400 . 1 . . . . 44 GLY CA . 16406 1 424 . 1 1 44 44 GLY N N 15 107.793 0.400 . 1 . . . . 44 GLY N . 16406 1 425 . 1 1 45 45 GLN H H 1 8.371 0.020 . 1 . . . . 45 GLN H . 16406 1 426 . 1 1 45 45 GLN HA H 1 4.307 0.020 . 1 . . . . 45 GLN HA . 16406 1 427 . 1 1 45 45 GLN HB2 H 1 2.073 0.020 . 2 . . . . 45 GLN HB2 . 16406 1 428 . 1 1 45 45 GLN HB3 H 1 2.216 0.020 . 2 . . . . 45 GLN HB3 . 16406 1 429 . 1 1 45 45 GLN HG2 H 1 2.236 0.020 . 2 . . . . 45 GLN HG2 . 16406 1 430 . 1 1 45 45 GLN HG3 H 1 2.418 0.020 . 2 . . . . 45 GLN HG3 . 16406 1 431 . 1 1 45 45 GLN CA C 13 56.912 0.400 . 1 . . . . 45 GLN CA . 16406 1 432 . 1 1 45 45 GLN CB C 13 29.971 0.400 . 1 . . . . 45 GLN CB . 16406 1 433 . 1 1 45 45 GLN CG C 13 33.500 0.400 . 1 . . . . 45 GLN CG . 16406 1 434 . 1 1 45 45 GLN N N 15 121.391 0.400 . 1 . . . . 45 GLN N . 16406 1 435 . 1 1 46 46 LYS H H 1 8.942 0.020 . 1 . . . . 46 LYS H . 16406 1 436 . 1 1 46 46 LYS HA H 1 4.486 0.020 . 1 . . . . 46 LYS HA . 16406 1 437 . 1 1 46 46 LYS HB2 H 1 1.585 0.020 . 2 . . . . 46 LYS HB2 . 16406 1 438 . 1 1 46 46 LYS HB3 H 1 1.675 0.020 . 2 . . . . 46 LYS HB3 . 16406 1 439 . 1 1 46 46 LYS HD2 H 1 1.413 0.020 . 2 . . . . 46 LYS HD2 . 16406 1 440 . 1 1 46 46 LYS HD3 H 1 1.413 0.020 . 2 . . . . 46 LYS HD3 . 16406 1 441 . 1 1 46 46 LYS HE2 H 1 2.712 0.020 . 2 . . . . 46 LYS HE2 . 16406 1 442 . 1 1 46 46 LYS HE3 H 1 2.749 0.020 . 2 . . . . 46 LYS HE3 . 16406 1 443 . 1 1 46 46 LYS HG2 H 1 0.751 0.020 . 2 . . . . 46 LYS HG2 . 16406 1 444 . 1 1 46 46 LYS HG3 H 1 0.751 0.020 . 2 . . . . 46 LYS HG3 . 16406 1 445 . 1 1 46 46 LYS CA C 13 56.637 0.400 . 1 . . . . 46 LYS CA . 16406 1 446 . 1 1 46 46 LYS CB C 13 33.089 0.400 . 1 . . . . 46 LYS CB . 16406 1 447 . 1 1 46 46 LYS CD C 13 29.715 0.400 . 1 . . . . 46 LYS CD . 16406 1 448 . 1 1 46 46 LYS CE C 13 41.117 0.400 . 1 . . . . 46 LYS CE . 16406 1 449 . 1 1 46 46 LYS CG C 13 24.126 0.400 . 1 . . . . 46 LYS CG . 16406 1 450 . 1 1 46 46 LYS N N 15 128.930 0.400 . 1 . . . . 46 LYS N . 16406 1 451 . 1 1 47 47 PHE H H 1 8.511 0.020 . 1 . . . . 47 PHE H . 16406 1 452 . 1 1 47 47 PHE HA H 1 5.067 0.020 . 1 . . . . 47 PHE HA . 16406 1 453 . 1 1 47 47 PHE HB2 H 1 2.542 0.020 . 2 . . . . 47 PHE HB2 . 16406 1 454 . 1 1 47 47 PHE HB3 H 1 3.216 0.020 . 2 . . . . 47 PHE HB3 . 16406 1 455 . 1 1 47 47 PHE HD1 H 1 6.983 0.020 . 1 . . . . 47 PHE HD1 . 16406 1 456 . 1 1 47 47 PHE HD2 H 1 6.983 0.020 . 1 . . . . 47 PHE HD2 . 16406 1 457 . 1 1 47 47 PHE HE1 H 1 7.249 0.020 . 1 . . . . 47 PHE HE1 . 16406 1 458 . 1 1 47 47 PHE HE2 H 1 7.249 0.020 . 1 . . . . 47 PHE HE2 . 16406 1 459 . 1 1 47 47 PHE HZ H 1 6.793 0.020 . 1 . . . . 47 PHE HZ . 16406 1 460 . 1 1 47 47 PHE CA C 13 56.431 0.400 . 1 . . . . 47 PHE CA . 16406 1 461 . 1 1 47 47 PHE CB C 13 41.047 0.400 . 1 . . . . 47 PHE CB . 16406 1 462 . 1 1 47 47 PHE N N 15 123.388 0.400 . 1 . . . . 47 PHE N . 16406 1 463 . 1 1 48 48 ASP H H 1 6.700 0.020 . 1 . . . . 48 ASP H . 16406 1 464 . 1 1 48 48 ASP HA H 1 4.748 0.020 . 1 . . . . 48 ASP HA . 16406 1 465 . 1 1 48 48 ASP HB2 H 1 2.134 0.020 . 2 . . . . 48 ASP HB2 . 16406 1 466 . 1 1 48 48 ASP HB3 H 1 3.309 0.020 . 2 . . . . 48 ASP HB3 . 16406 1 467 . 1 1 48 48 ASP CA C 13 54.392 0.400 . 1 . . . . 48 ASP CA . 16406 1 468 . 1 1 48 48 ASP CB C 13 44.075 0.400 . 1 . . . . 48 ASP CB . 16406 1 469 . 1 1 48 48 ASP N N 15 118.524 0.400 . 1 . . . . 48 ASP N . 16406 1 470 . 1 1 49 49 SER H H 1 8.130 0.020 . 1 . . . . 49 SER H . 16406 1 471 . 1 1 49 49 SER HA H 1 4.545 0.020 . 1 . . . . 49 SER HA . 16406 1 472 . 1 1 49 49 SER HB2 H 1 3.447 0.020 . 2 . . . . 49 SER HB2 . 16406 1 473 . 1 1 49 49 SER HB3 H 1 3.813 0.020 . 2 . . . . 49 SER HB3 . 16406 1 474 . 1 1 49 49 SER CA C 13 56.903 0.400 . 1 . . . . 49 SER CA . 16406 1 475 . 1 1 49 49 SER CB C 13 64.687 0.400 . 1 . . . . 49 SER CB . 16406 1 476 . 1 1 49 49 SER N N 15 117.215 0.400 . 1 . . . . 49 SER N . 16406 1 477 . 1 1 50 50 SER H H 1 7.998 0.020 . 1 . . . . 50 SER H . 16406 1 478 . 1 1 50 50 SER HA H 1 4.027 0.020 . 1 . . . . 50 SER HA . 16406 1 479 . 1 1 50 50 SER HB2 H 1 3.622 0.020 . 2 . . . . 50 SER HB2 . 16406 1 480 . 1 1 50 50 SER HB3 H 1 3.622 0.020 . 2 . . . . 50 SER HB3 . 16406 1 481 . 1 1 50 50 SER CA C 13 61.468 0.400 . 1 . . . . 50 SER CA . 16406 1 482 . 1 1 50 50 SER CB C 13 61.417 0.400 . 1 . . . . 50 SER CB . 16406 1 483 . 1 1 50 50 SER N N 15 124.661 0.400 . 1 . . . . 50 SER N . 16406 1 484 . 1 1 51 51 LYS H H 1 7.709 0.020 . 1 . . . . 51 LYS H . 16406 1 485 . 1 1 51 51 LYS HA H 1 3.487 0.020 . 1 . . . . 51 LYS HA . 16406 1 486 . 1 1 51 51 LYS HB2 H 1 1.313 0.020 . 2 . . . . 51 LYS HB2 . 16406 1 487 . 1 1 51 51 LYS HB3 H 1 1.506 0.020 . 2 . . . . 51 LYS HB3 . 16406 1 488 . 1 1 51 51 LYS HD2 H 1 1.262 0.020 . 2 . . . . 51 LYS HD2 . 16406 1 489 . 1 1 51 51 LYS HD3 H 1 1.262 0.020 . 2 . . . . 51 LYS HD3 . 16406 1 490 . 1 1 51 51 LYS HE2 H 1 2.596 0.020 . 2 . . . . 51 LYS HE2 . 16406 1 491 . 1 1 51 51 LYS HE3 H 1 2.596 0.020 . 2 . . . . 51 LYS HE3 . 16406 1 492 . 1 1 51 51 LYS HG2 H 1 0.489 0.020 . 2 . . . . 51 LYS HG2 . 16406 1 493 . 1 1 51 51 LYS HG3 H 1 0.926 0.020 . 2 . . . . 51 LYS HG3 . 16406 1 494 . 1 1 51 51 LYS CA C 13 58.882 0.400 . 1 . . . . 51 LYS CA . 16406 1 495 . 1 1 51 51 LYS CB C 13 31.373 0.400 . 1 . . . . 51 LYS CB . 16406 1 496 . 1 1 51 51 LYS CD C 13 28.749 0.400 . 1 . . . . 51 LYS CD . 16406 1 497 . 1 1 51 51 LYS CE C 13 41.498 0.400 . 1 . . . . 51 LYS CE . 16406 1 498 . 1 1 51 51 LYS CG C 13 25.321 0.400 . 1 . . . . 51 LYS CG . 16406 1 499 . 1 1 51 51 LYS N N 15 124.195 0.400 . 1 . . . . 51 LYS N . 16406 1 500 . 1 1 52 52 ASP H H 1 7.346 0.020 . 1 . . . . 52 ASP H . 16406 1 501 . 1 1 52 52 ASP HA H 1 4.264 0.020 . 1 . . . . 52 ASP HA . 16406 1 502 . 1 1 52 52 ASP HB2 H 1 2.574 0.020 . 2 . . . . 52 ASP HB2 . 16406 1 503 . 1 1 52 52 ASP HB3 H 1 2.701 0.020 . 2 . . . . 52 ASP HB3 . 16406 1 504 . 1 1 52 52 ASP CA C 13 56.480 0.400 . 1 . . . . 52 ASP CA . 16406 1 505 . 1 1 52 52 ASP CB C 13 40.103 0.400 . 1 . . . . 52 ASP CB . 16406 1 506 . 1 1 52 52 ASP N N 15 119.072 0.400 . 1 . . . . 52 ASP N . 16406 1 507 . 1 1 53 53 ARG H H 1 6.958 0.020 . 1 . . . . 53 ARG H . 16406 1 508 . 1 1 53 53 ARG HA H 1 4.423 0.020 . 1 . . . . 53 ARG HA . 16406 1 509 . 1 1 53 53 ARG HB2 H 1 1.880 0.020 . 2 . . . . 53 ARG HB2 . 16406 1 510 . 1 1 53 53 ARG HB3 H 1 2.026 0.020 . 2 . . . . 53 ARG HB3 . 16406 1 511 . 1 1 53 53 ARG HD2 H 1 3.226 0.020 . 2 . . . . 53 ARG HD2 . 16406 1 512 . 1 1 53 53 ARG HD3 H 1 3.226 0.020 . 2 . . . . 53 ARG HD3 . 16406 1 513 . 1 1 53 53 ARG HG2 H 1 1.663 0.020 . 2 . . . . 53 ARG HG2 . 16406 1 514 . 1 1 53 53 ARG HG3 H 1 1.663 0.020 . 2 . . . . 53 ARG HG3 . 16406 1 515 . 1 1 53 53 ARG CA C 13 55.842 0.400 . 1 . . . . 53 ARG CA . 16406 1 516 . 1 1 53 53 ARG CB C 13 31.378 0.400 . 1 . . . . 53 ARG CB . 16406 1 517 . 1 1 53 53 ARG CD C 13 43.328 0.400 . 1 . . . . 53 ARG CD . 16406 1 518 . 1 1 53 53 ARG CG C 13 28.386 0.400 . 1 . . . . 53 ARG CG . 16406 1 519 . 1 1 53 53 ARG N N 15 115.006 0.400 . 1 . . . . 53 ARG N . 16406 1 520 . 1 1 54 54 ASN H H 1 7.856 0.020 . 1 . . . . 54 ASN H . 16406 1 521 . 1 1 54 54 ASN HA H 1 4.345 0.020 . 1 . . . . 54 ASN HA . 16406 1 522 . 1 1 54 54 ASN HB2 H 1 2.633 0.020 . 2 . . . . 54 ASN HB2 . 16406 1 523 . 1 1 54 54 ASN HB3 H 1 3.142 0.020 . 2 . . . . 54 ASN HB3 . 16406 1 524 . 1 1 54 54 ASN CA C 13 54.388 0.400 . 1 . . . . 54 ASN CA . 16406 1 525 . 1 1 54 54 ASN CB C 13 37.793 0.400 . 1 . . . . 54 ASN CB . 16406 1 526 . 1 1 54 54 ASN N N 15 117.200 0.400 . 1 . . . . 54 ASN N . 16406 1 527 . 1 1 55 55 ASP H H 1 7.638 0.020 . 1 . . . . 55 ASP H . 16406 1 528 . 1 1 55 55 ASP HA H 1 5.324 0.020 . 1 . . . . 55 ASP HA . 16406 1 529 . 1 1 55 55 ASP HB2 H 1 2.385 0.020 . 2 . . . . 55 ASP HB2 . 16406 1 530 . 1 1 55 55 ASP HB3 H 1 2.747 0.020 . 2 . . . . 55 ASP HB3 . 16406 1 531 . 1 1 55 55 ASP CA C 13 51.698 0.400 . 1 . . . . 55 ASP CA . 16406 1 532 . 1 1 55 55 ASP CB C 13 43.291 0.400 . 1 . . . . 55 ASP CB . 16406 1 533 . 1 1 55 55 ASP N N 15 115.770 0.400 . 1 . . . . 55 ASP N . 16406 1 534 . 1 1 56 56 PRO HA H 1 3.967 0.020 . 1 . . . . 56 PRO HA . 16406 1 535 . 1 1 56 56 PRO HB2 H 1 1.351 0.020 . 2 . . . . 56 PRO HB2 . 16406 1 536 . 1 1 56 56 PRO HB3 H 1 1.509 0.020 . 2 . . . . 56 PRO HB3 . 16406 1 537 . 1 1 56 56 PRO HD2 H 1 3.582 0.020 . 2 . . . . 56 PRO HD2 . 16406 1 538 . 1 1 56 56 PRO HD3 H 1 3.792 0.020 . 2 . . . . 56 PRO HD3 . 16406 1 539 . 1 1 56 56 PRO HG2 H 1 1.365 0.020 . 2 . . . . 56 PRO HG2 . 16406 1 540 . 1 1 56 56 PRO HG3 H 1 1.365 0.020 . 2 . . . . 56 PRO HG3 . 16406 1 541 . 1 1 56 56 PRO CA C 13 63.176 0.400 . 1 . . . . 56 PRO CA . 16406 1 542 . 1 1 56 56 PRO CB C 13 32.257 0.400 . 1 . . . . 56 PRO CB . 16406 1 543 . 1 1 56 56 PRO CD C 13 50.488 0.400 . 1 . . . . 56 PRO CD . 16406 1 544 . 1 1 56 56 PRO CG C 13 26.865 0.400 . 1 . . . . 56 PRO CG . 16406 1 545 . 1 1 57 57 PHE H H 1 9.178 0.020 . 1 . . . . 57 PHE H . 16406 1 546 . 1 1 57 57 PHE HA H 1 4.895 0.020 . 1 . . . . 57 PHE HA . 16406 1 547 . 1 1 57 57 PHE HB2 H 1 3.250 0.020 . 2 . . . . 57 PHE HB2 . 16406 1 548 . 1 1 57 57 PHE HB3 H 1 3.485 0.020 . 2 . . . . 57 PHE HB3 . 16406 1 549 . 1 1 57 57 PHE HD1 H 1 7.342 0.020 . 1 . . . . 57 PHE HD1 . 16406 1 550 . 1 1 57 57 PHE HD2 H 1 7.342 0.020 . 1 . . . . 57 PHE HD2 . 16406 1 551 . 1 1 57 57 PHE HE1 H 1 7.029 0.020 . 1 . . . . 57 PHE HE1 . 16406 1 552 . 1 1 57 57 PHE HE2 H 1 7.029 0.020 . 1 . . . . 57 PHE HE2 . 16406 1 553 . 1 1 57 57 PHE HZ H 1 7.066 0.020 . 1 . . . . 57 PHE HZ . 16406 1 554 . 1 1 57 57 PHE CA C 13 57.132 0.400 . 1 . . . . 57 PHE CA . 16406 1 555 . 1 1 57 57 PHE CB C 13 42.375 0.400 . 1 . . . . 57 PHE CB . 16406 1 556 . 1 1 57 57 PHE N N 15 124.387 0.400 . 1 . . . . 57 PHE N . 16406 1 557 . 1 1 58 58 ALA H H 1 7.935 0.020 . 1 . . . . 58 ALA H . 16406 1 558 . 1 1 58 58 ALA HA H 1 5.905 0.020 . 1 . . . . 58 ALA HA . 16406 1 559 . 1 1 58 58 ALA HB1 H 1 1.056 0.020 . 1 . . . . 58 ALA HB . 16406 1 560 . 1 1 58 58 ALA HB2 H 1 1.056 0.020 . 1 . . . . 58 ALA HB . 16406 1 561 . 1 1 58 58 ALA HB3 H 1 1.056 0.020 . 1 . . . . 58 ALA HB . 16406 1 562 . 1 1 58 58 ALA CA C 13 49.687 0.400 . 1 . . . . 58 ALA CA . 16406 1 563 . 1 1 58 58 ALA CB C 13 21.407 0.400 . 1 . . . . 58 ALA CB . 16406 1 564 . 1 1 58 58 ALA N N 15 130.582 0.400 . 1 . . . . 58 ALA N . 16406 1 565 . 1 1 59 59 PHE H H 1 8.404 0.020 . 1 . . . . 59 PHE H . 16406 1 566 . 1 1 59 59 PHE HA H 1 4.644 0.020 . 1 . . . . 59 PHE HA . 16406 1 567 . 1 1 59 59 PHE HB2 H 1 2.679 0.020 . 2 . . . . 59 PHE HB2 . 16406 1 568 . 1 1 59 59 PHE HB3 H 1 2.997 0.020 . 2 . . . . 59 PHE HB3 . 16406 1 569 . 1 1 59 59 PHE HD1 H 1 6.959 0.020 . 1 . . . . 59 PHE HD1 . 16406 1 570 . 1 1 59 59 PHE HD2 H 1 6.959 0.020 . 1 . . . . 59 PHE HD2 . 16406 1 571 . 1 1 59 59 PHE HE1 H 1 7.201 0.020 . 1 . . . . 59 PHE HE1 . 16406 1 572 . 1 1 59 59 PHE HE2 H 1 7.201 0.020 . 1 . . . . 59 PHE HE2 . 16406 1 573 . 1 1 59 59 PHE HZ H 1 6.793 0.020 . 1 . . . . 59 PHE HZ . 16406 1 574 . 1 1 59 59 PHE CA C 13 55.595 0.400 . 1 . . . . 59 PHE CA . 16406 1 575 . 1 1 59 59 PHE CB C 13 40.910 0.400 . 1 . . . . 59 PHE CB . 16406 1 576 . 1 1 59 59 PHE N N 15 115.200 0.400 . 1 . . . . 59 PHE N . 16406 1 577 . 1 1 60 60 VAL H H 1 8.162 0.020 . 1 . . . . 60 VAL H . 16406 1 578 . 1 1 60 60 VAL HA H 1 4.039 0.020 . 1 . . . . 60 VAL HA . 16406 1 579 . 1 1 60 60 VAL HB H 1 1.923 0.020 . 1 . . . . 60 VAL HB . 16406 1 580 . 1 1 60 60 VAL HG11 H 1 0.608 0.020 . 2 . . . . 60 VAL HG1 . 16406 1 581 . 1 1 60 60 VAL HG12 H 1 0.608 0.020 . 2 . . . . 60 VAL HG1 . 16406 1 582 . 1 1 60 60 VAL HG13 H 1 0.608 0.020 . 2 . . . . 60 VAL HG1 . 16406 1 583 . 1 1 60 60 VAL HG21 H 1 0.881 0.020 . 2 . . . . 60 VAL HG2 . 16406 1 584 . 1 1 60 60 VAL HG22 H 1 0.881 0.020 . 2 . . . . 60 VAL HG2 . 16406 1 585 . 1 1 60 60 VAL HG23 H 1 0.881 0.020 . 2 . . . . 60 VAL HG2 . 16406 1 586 . 1 1 60 60 VAL CA C 13 62.047 0.400 . 1 . . . . 60 VAL CA . 16406 1 587 . 1 1 60 60 VAL CB C 13 31.695 0.400 . 1 . . . . 60 VAL CB . 16406 1 588 . 1 1 60 60 VAL CG2 C 13 21.072 0.400 . 1 . . . . 60 VAL CG2 . 16406 1 589 . 1 1 60 60 VAL N N 15 120.070 0.400 . 1 . . . . 60 VAL N . 16406 1 590 . 1 1 61 61 LEU H H 1 8.913 0.020 . 1 . . . . 61 LEU H . 16406 1 591 . 1 1 61 61 LEU HA H 1 4.241 0.020 . 1 . . . . 61 LEU HA . 16406 1 592 . 1 1 61 61 LEU HB2 H 1 1.178 0.020 . 2 . . . . 61 LEU HB2 . 16406 1 593 . 1 1 61 61 LEU HB3 H 1 1.932 0.020 . 2 . . . . 61 LEU HB3 . 16406 1 594 . 1 1 61 61 LEU HD11 H 1 0.586 0.020 . 2 . . . . 61 LEU HD1 . 16406 1 595 . 1 1 61 61 LEU HD12 H 1 0.586 0.020 . 2 . . . . 61 LEU HD1 . 16406 1 596 . 1 1 61 61 LEU HD13 H 1 0.586 0.020 . 2 . . . . 61 LEU HD1 . 16406 1 597 . 1 1 61 61 LEU HD21 H 1 0.586 0.020 . 2 . . . . 61 LEU HD2 . 16406 1 598 . 1 1 61 61 LEU HD22 H 1 0.586 0.020 . 2 . . . . 61 LEU HD2 . 16406 1 599 . 1 1 61 61 LEU HD23 H 1 0.586 0.020 . 2 . . . . 61 LEU HD2 . 16406 1 600 . 1 1 61 61 LEU CA C 13 56.425 0.400 . 1 . . . . 61 LEU CA . 16406 1 601 . 1 1 61 61 LEU CB C 13 41.692 0.400 . 1 . . . . 61 LEU CB . 16406 1 602 . 1 1 61 61 LEU CD1 C 13 26.700 0.400 . 1 . . . . 61 LEU CD1 . 16406 1 603 . 1 1 61 61 LEU CD2 C 13 25.281 0.400 . 1 . . . . 61 LEU CD2 . 16406 1 604 . 1 1 61 61 LEU CG C 13 26.700 0.400 . 1 . . . . 61 LEU CG . 16406 1 605 . 1 1 61 61 LEU N N 15 134.395 0.400 . 1 . . . . 61 LEU N . 16406 1 606 . 1 1 62 62 GLY H H 1 9.785 0.020 . 1 . . . . 62 GLY H . 16406 1 607 . 1 1 62 62 GLY HA2 H 1 3.557 0.020 . 2 . . . . 62 GLY HA2 . 16406 1 608 . 1 1 62 62 GLY HA3 H 1 4.147 0.020 . 2 . . . . 62 GLY HA3 . 16406 1 609 . 1 1 62 62 GLY CA C 13 45.763 0.400 . 1 . . . . 62 GLY CA . 16406 1 610 . 1 1 62 62 GLY N N 15 119.561 0.400 . 1 . . . . 62 GLY N . 16406 1 611 . 1 1 63 63 GLY H H 1 8.347 0.020 . 1 . . . . 63 GLY H . 16406 1 612 . 1 1 63 63 GLY HA2 H 1 3.547 0.020 . 2 . . . . 63 GLY HA2 . 16406 1 613 . 1 1 63 63 GLY HA3 H 1 4.246 0.020 . 2 . . . . 63 GLY HA3 . 16406 1 614 . 1 1 63 63 GLY CA C 13 45.681 0.400 . 1 . . . . 63 GLY CA . 16406 1 615 . 1 1 63 63 GLY N N 15 106.996 0.400 . 1 . . . . 63 GLY N . 16406 1 616 . 1 1 64 64 GLY H H 1 9.307 0.020 . 1 . . . . 64 GLY H . 16406 1 617 . 1 1 64 64 GLY HA2 H 1 4.026 0.020 . 2 . . . . 64 GLY HA2 . 16406 1 618 . 1 1 64 64 GLY HA3 H 1 4.026 0.020 . 2 . . . . 64 GLY HA3 . 16406 1 619 . 1 1 64 64 GLY CA C 13 46.275 0.400 . 1 . . . . 64 GLY CA . 16406 1 620 . 1 1 64 64 GLY N N 15 112.040 0.400 . 1 . . . . 64 GLY N . 16406 1 621 . 1 1 65 65 MET H H 1 9.515 0.020 . 1 . . . . 65 MET H . 16406 1 622 . 1 1 65 65 MET HA H 1 4.442 0.020 . 1 . . . . 65 MET HA . 16406 1 623 . 1 1 65 65 MET HB2 H 1 2.077 0.020 . 2 . . . . 65 MET HB2 . 16406 1 624 . 1 1 65 65 MET HB3 H 1 2.077 0.020 . 2 . . . . 65 MET HB3 . 16406 1 625 . 1 1 65 65 MET HE1 H 1 2.153 0.020 . 1 . . . . 65 MET HE . 16406 1 626 . 1 1 65 65 MET HE2 H 1 2.153 0.020 . 1 . . . . 65 MET HE . 16406 1 627 . 1 1 65 65 MET HE3 H 1 2.153 0.020 . 1 . . . . 65 MET HE . 16406 1 628 . 1 1 65 65 MET HG2 H 1 2.597 0.020 . 2 . . . . 65 MET HG2 . 16406 1 629 . 1 1 65 65 MET HG3 H 1 2.597 0.020 . 2 . . . . 65 MET HG3 . 16406 1 630 . 1 1 65 65 MET CA C 13 56.370 0.400 . 1 . . . . 65 MET CA . 16406 1 631 . 1 1 65 65 MET CB C 13 33.643 0.400 . 1 . . . . 65 MET CB . 16406 1 632 . 1 1 65 65 MET CE C 13 17.064 0.400 . 1 . . . . 65 MET CE . 16406 1 633 . 1 1 65 65 MET CG C 13 32.465 0.400 . 1 . . . . 65 MET CG . 16406 1 634 . 1 1 65 65 MET N N 15 118.768 0.400 . 1 . . . . 65 MET N . 16406 1 635 . 1 1 66 66 VAL H H 1 6.879 0.020 . 1 . . . . 66 VAL H . 16406 1 636 . 1 1 66 66 VAL HA H 1 4.230 0.020 . 1 . . . . 66 VAL HA . 16406 1 637 . 1 1 66 66 VAL HB H 1 1.417 0.020 . 1 . . . . 66 VAL HB . 16406 1 638 . 1 1 66 66 VAL HG11 H 1 0.056 0.020 . 2 . . . . 66 VAL HG1 . 16406 1 639 . 1 1 66 66 VAL HG12 H 1 0.056 0.020 . 2 . . . . 66 VAL HG1 . 16406 1 640 . 1 1 66 66 VAL HG13 H 1 0.056 0.020 . 2 . . . . 66 VAL HG1 . 16406 1 641 . 1 1 66 66 VAL HG21 H 1 0.401 0.020 . 2 . . . . 66 VAL HG2 . 16406 1 642 . 1 1 66 66 VAL HG22 H 1 0.401 0.020 . 2 . . . . 66 VAL HG2 . 16406 1 643 . 1 1 66 66 VAL HG23 H 1 0.401 0.020 . 2 . . . . 66 VAL HG2 . 16406 1 644 . 1 1 66 66 VAL CA C 13 57.951 0.400 . 1 . . . . 66 VAL CA . 16406 1 645 . 1 1 66 66 VAL CB C 13 35.583 0.400 . 1 . . . . 66 VAL CB . 16406 1 646 . 1 1 66 66 VAL CG1 C 13 21.512 0.400 . 1 . . . . 66 VAL CG1 . 16406 1 647 . 1 1 66 66 VAL CG2 C 13 18.925 0.400 . 1 . . . . 66 VAL CG2 . 16406 1 648 . 1 1 66 66 VAL N N 15 110.254 0.400 . 1 . . . . 66 VAL N . 16406 1 649 . 1 1 67 67 ILE H H 1 7.327 0.020 . 1 . . . . 67 ILE H . 16406 1 650 . 1 1 67 67 ILE HA H 1 3.816 0.020 . 1 . . . . 67 ILE HA . 16406 1 651 . 1 1 67 67 ILE HB H 1 2.072 0.020 . 1 . . . . 67 ILE HB . 16406 1 652 . 1 1 67 67 ILE HD11 H 1 0.507 0.020 . 1 . . . . 67 ILE HD1 . 16406 1 653 . 1 1 67 67 ILE HD12 H 1 0.507 0.020 . 1 . . . . 67 ILE HD1 . 16406 1 654 . 1 1 67 67 ILE HD13 H 1 0.507 0.020 . 1 . . . . 67 ILE HD1 . 16406 1 655 . 1 1 67 67 ILE HG12 H 1 0.873 0.020 . 2 . . . . 67 ILE HG12 . 16406 1 656 . 1 1 67 67 ILE HG13 H 1 0.873 0.020 . 2 . . . . 67 ILE HG13 . 16406 1 657 . 1 1 67 67 ILE HG21 H 1 -0.015 0.020 . 1 . . . . 67 ILE HG2 . 16406 1 658 . 1 1 67 67 ILE HG22 H 1 -0.015 0.020 . 1 . . . . 67 ILE HG2 . 16406 1 659 . 1 1 67 67 ILE HG23 H 1 -0.015 0.020 . 1 . . . . 67 ILE HG2 . 16406 1 660 . 1 1 67 67 ILE CA C 13 62.151 0.400 . 1 . . . . 67 ILE CA . 16406 1 661 . 1 1 67 67 ILE CB C 13 37.309 0.400 . 1 . . . . 67 ILE CB . 16406 1 662 . 1 1 67 67 ILE CD1 C 13 14.475 0.400 . 1 . . . . 67 ILE CD1 . 16406 1 663 . 1 1 67 67 ILE CG1 C 13 25.043 0.400 . 1 . . . . 67 ILE CG1 . 16406 1 664 . 1 1 67 67 ILE CG2 C 13 17.328 0.400 . 1 . . . . 67 ILE CG2 . 16406 1 665 . 1 1 67 67 ILE N N 15 112.650 0.400 . 1 . . . . 67 ILE N . 16406 1 666 . 1 1 68 68 LYS H H 1 8.985 0.020 . 1 . . . . 68 LYS H . 16406 1 667 . 1 1 68 68 LYS HA H 1 4.196 0.020 . 1 . . . . 68 LYS HA . 16406 1 668 . 1 1 68 68 LYS HB2 H 1 1.698 0.020 . 2 . . . . 68 LYS HB2 . 16406 1 669 . 1 1 68 68 LYS HB3 H 1 1.865 0.020 . 2 . . . . 68 LYS HB3 . 16406 1 670 . 1 1 68 68 LYS HD2 H 1 1.735 0.020 . 2 . . . . 68 LYS HD2 . 16406 1 671 . 1 1 68 68 LYS HD3 H 1 1.735 0.020 . 2 . . . . 68 LYS HD3 . 16406 1 672 . 1 1 68 68 LYS HE2 H 1 3.019 0.020 . 2 . . . . 68 LYS HE2 . 16406 1 673 . 1 1 68 68 LYS HE3 H 1 3.019 0.020 . 2 . . . . 68 LYS HE3 . 16406 1 674 . 1 1 68 68 LYS HG2 H 1 1.594 0.020 . 2 . . . . 68 LYS HG2 . 16406 1 675 . 1 1 68 68 LYS HG3 H 1 1.594 0.020 . 2 . . . . 68 LYS HG3 . 16406 1 676 . 1 1 68 68 LYS CA C 13 59.923 0.400 . 1 . . . . 68 LYS CA . 16406 1 677 . 1 1 68 68 LYS CB C 13 33.284 0.400 . 1 . . . . 68 LYS CB . 16406 1 678 . 1 1 68 68 LYS CD C 13 29.431 0.400 . 1 . . . . 68 LYS CD . 16406 1 679 . 1 1 68 68 LYS CE C 13 42.038 0.400 . 1 . . . . 68 LYS CE . 16406 1 680 . 1 1 68 68 LYS CG C 13 25.895 0.400 . 1 . . . . 68 LYS CG . 16406 1 681 . 1 1 68 68 LYS N N 15 124.625 0.400 . 1 . . . . 68 LYS N . 16406 1 682 . 1 1 69 69 GLY H H 1 9.606 0.020 . 1 . . . . 69 GLY H . 16406 1 683 . 1 1 69 69 GLY HA2 H 1 3.570 0.020 . 2 . . . . 69 GLY HA2 . 16406 1 684 . 1 1 69 69 GLY HA3 H 1 3.939 0.020 . 2 . . . . 69 GLY HA3 . 16406 1 685 . 1 1 69 69 GLY CA C 13 47.589 0.400 . 1 . . . . 69 GLY CA . 16406 1 686 . 1 1 69 69 GLY N N 15 102.467 0.400 . 1 . . . . 69 GLY N . 16406 1 687 . 1 1 70 70 TRP H H 1 7.627 0.020 . 1 . . . . 70 TRP H . 16406 1 688 . 1 1 70 70 TRP HA H 1 4.223 0.020 . 1 . . . . 70 TRP HA . 16406 1 689 . 1 1 70 70 TRP HB2 H 1 2.741 0.020 . 2 . . . . 70 TRP HB2 . 16406 1 690 . 1 1 70 70 TRP HB3 H 1 2.920 0.020 . 2 . . . . 70 TRP HB3 . 16406 1 691 . 1 1 70 70 TRP HD1 H 1 6.183 0.020 . 1 . . . . 70 TRP HD1 . 16406 1 692 . 1 1 70 70 TRP HE3 H 1 6.475 0.020 . 1 . . . . 70 TRP HE3 . 16406 1 693 . 1 1 70 70 TRP HH2 H 1 5.612 0.020 . 1 . . . . 70 TRP HH2 . 16406 1 694 . 1 1 70 70 TRP HZ2 H 1 6.005 0.020 . 1 . . . . 70 TRP HZ2 . 16406 1 695 . 1 1 70 70 TRP HZ3 H 1 6.382 0.020 . 1 . . . . 70 TRP HZ3 . 16406 1 696 . 1 1 70 70 TRP CA C 13 59.817 0.400 . 1 . . . . 70 TRP CA . 16406 1 697 . 1 1 70 70 TRP CB C 13 29.462 0.400 . 1 . . . . 70 TRP CB . 16406 1 698 . 1 1 70 70 TRP N N 15 120.259 0.400 . 1 . . . . 70 TRP N . 16406 1 699 . 1 1 71 71 ASP H H 1 7.107 0.020 . 1 . . . . 71 ASP H . 16406 1 700 . 1 1 71 71 ASP HA H 1 4.773 0.020 . 1 . . . . 71 ASP HA . 16406 1 701 . 1 1 71 71 ASP HB2 H 1 2.574 0.020 . 2 . . . . 71 ASP HB2 . 16406 1 702 . 1 1 71 71 ASP HB3 H 1 2.739 0.020 . 2 . . . . 71 ASP HB3 . 16406 1 703 . 1 1 71 71 ASP CA C 13 57.301 0.400 . 1 . . . . 71 ASP CA . 16406 1 704 . 1 1 71 71 ASP CB C 13 41.074 0.400 . 1 . . . . 71 ASP CB . 16406 1 705 . 1 1 71 71 ASP N N 15 119.833 0.400 . 1 . . . . 71 ASP N . 16406 1 706 . 1 1 72 72 GLU H H 1 7.980 0.020 . 1 . . . . 72 GLU H . 16406 1 707 . 1 1 72 72 GLU HA H 1 4.080 0.020 . 1 . . . . 72 GLU HA . 16406 1 708 . 1 1 72 72 GLU HB2 H 1 1.784 0.020 . 2 . . . . 72 GLU HB2 . 16406 1 709 . 1 1 72 72 GLU HB3 H 1 2.030 0.020 . 2 . . . . 72 GLU HB3 . 16406 1 710 . 1 1 72 72 GLU HG2 H 1 1.902 0.020 . 2 . . . . 72 GLU HG2 . 16406 1 711 . 1 1 72 72 GLU HG3 H 1 2.395 0.020 . 2 . . . . 72 GLU HG3 . 16406 1 712 . 1 1 72 72 GLU CA C 13 58.292 0.400 . 1 . . . . 72 GLU CA . 16406 1 713 . 1 1 72 72 GLU CB C 13 30.380 0.400 . 1 . . . . 72 GLU CB . 16406 1 714 . 1 1 72 72 GLU CG C 13 35.745 0.400 . 1 . . . . 72 GLU CG . 16406 1 715 . 1 1 72 72 GLU N N 15 114.408 0.400 . 1 . . . . 72 GLU N . 16406 1 716 . 1 1 73 73 GLY H H 1 7.809 0.020 . 1 . . . . 73 GLY H . 16406 1 717 . 1 1 73 73 GLY HA2 H 1 3.568 0.020 . 2 . . . . 73 GLY HA2 . 16406 1 718 . 1 1 73 73 GLY HA3 H 1 3.568 0.020 . 2 . . . . 73 GLY HA3 . 16406 1 719 . 1 1 73 73 GLY CA C 13 47.483 0.400 . 1 . . . . 73 GLY CA . 16406 1 720 . 1 1 73 73 GLY N N 15 104.837 0.400 . 1 . . . . 73 GLY N . 16406 1 721 . 1 1 74 74 VAL H H 1 8.074 0.020 . 1 . . . . 74 VAL H . 16406 1 722 . 1 1 74 74 VAL HA H 1 3.675 0.020 . 1 . . . . 74 VAL HA . 16406 1 723 . 1 1 74 74 VAL HB H 1 2.058 0.020 . 1 . . . . 74 VAL HB . 16406 1 724 . 1 1 74 74 VAL HG11 H 1 0.805 0.020 . 2 . . . . 74 VAL HG1 . 16406 1 725 . 1 1 74 74 VAL HG12 H 1 0.805 0.020 . 2 . . . . 74 VAL HG1 . 16406 1 726 . 1 1 74 74 VAL HG13 H 1 0.805 0.020 . 2 . . . . 74 VAL HG1 . 16406 1 727 . 1 1 74 74 VAL HG21 H 1 0.855 0.020 . 2 . . . . 74 VAL HG2 . 16406 1 728 . 1 1 74 74 VAL HG22 H 1 0.855 0.020 . 2 . . . . 74 VAL HG2 . 16406 1 729 . 1 1 74 74 VAL HG23 H 1 0.855 0.020 . 2 . . . . 74 VAL HG2 . 16406 1 730 . 1 1 74 74 VAL CA C 13 63.628 0.400 . 1 . . . . 74 VAL CA . 16406 1 731 . 1 1 74 74 VAL CB C 13 31.226 0.400 . 1 . . . . 74 VAL CB . 16406 1 732 . 1 1 74 74 VAL CG1 C 13 21.000 0.400 . 1 . . . . 74 VAL CG1 . 16406 1 733 . 1 1 74 74 VAL CG2 C 13 21.374 0.400 . 1 . . . . 74 VAL CG2 . 16406 1 734 . 1 1 74 74 VAL N N 15 117.573 0.400 . 1 . . . . 74 VAL N . 16406 1 735 . 1 1 75 75 GLN H H 1 6.552 0.020 . 1 . . . . 75 GLN H . 16406 1 736 . 1 1 75 75 GLN HA H 1 3.582 0.020 . 1 . . . . 75 GLN HA . 16406 1 737 . 1 1 75 75 GLN HB2 H 1 1.996 0.020 . 2 . . . . 75 GLN HB2 . 16406 1 738 . 1 1 75 75 GLN HB3 H 1 2.102 0.020 . 2 . . . . 75 GLN HB3 . 16406 1 739 . 1 1 75 75 GLN HG2 H 1 1.954 0.020 . 2 . . . . 75 GLN HG2 . 16406 1 740 . 1 1 75 75 GLN HG3 H 1 2.631 0.020 . 2 . . . . 75 GLN HG3 . 16406 1 741 . 1 1 75 75 GLN CA C 13 58.428 0.400 . 1 . . . . 75 GLN CA . 16406 1 742 . 1 1 75 75 GLN CB C 13 28.713 0.400 . 1 . . . . 75 GLN CB . 16406 1 743 . 1 1 75 75 GLN CG C 13 35.014 0.400 . 1 . . . . 75 GLN CG . 16406 1 744 . 1 1 75 75 GLN N N 15 116.703 0.400 . 1 . . . . 75 GLN N . 16406 1 745 . 1 1 76 76 GLY H H 1 8.605 0.020 . 1 . . . . 76 GLY H . 16406 1 746 . 1 1 76 76 GLY HA2 H 1 3.649 0.020 . 2 . . . . 76 GLY HA2 . 16406 1 747 . 1 1 76 76 GLY HA3 H 1 4.505 0.020 . 2 . . . . 76 GLY HA3 . 16406 1 748 . 1 1 76 76 GLY CA C 13 45.064 0.400 . 1 . . . . 76 GLY CA . 16406 1 749 . 1 1 76 76 GLY N N 15 111.525 0.400 . 1 . . . . 76 GLY N . 16406 1 750 . 1 1 77 77 MET H H 1 7.689 0.020 . 1 . . . . 77 MET H . 16406 1 751 . 1 1 77 77 MET HA H 1 3.947 0.020 . 1 . . . . 77 MET HA . 16406 1 752 . 1 1 77 77 MET HB2 H 1 1.946 0.020 . 2 . . . . 77 MET HB2 . 16406 1 753 . 1 1 77 77 MET HB3 H 1 1.946 0.020 . 2 . . . . 77 MET HB3 . 16406 1 754 . 1 1 77 77 MET HE1 H 1 2.037 0.020 . 1 . . . . 77 MET HE . 16406 1 755 . 1 1 77 77 MET HE2 H 1 2.037 0.020 . 1 . . . . 77 MET HE . 16406 1 756 . 1 1 77 77 MET HE3 H 1 2.037 0.020 . 1 . . . . 77 MET HE . 16406 1 757 . 1 1 77 77 MET HG2 H 1 2.521 0.020 . 2 . . . . 77 MET HG2 . 16406 1 758 . 1 1 77 77 MET HG3 H 1 2.521 0.020 . 2 . . . . 77 MET HG3 . 16406 1 759 . 1 1 77 77 MET CA C 13 58.289 0.400 . 1 . . . . 77 MET CA . 16406 1 760 . 1 1 77 77 MET CB C 13 35.115 0.400 . 1 . . . . 77 MET CB . 16406 1 761 . 1 1 77 77 MET CE C 13 17.883 0.400 . 1 . . . . 77 MET CE . 16406 1 762 . 1 1 77 77 MET CG C 13 33.004 0.400 . 1 . . . . 77 MET CG . 16406 1 763 . 1 1 77 77 MET N N 15 119.194 0.400 . 1 . . . . 77 MET N . 16406 1 764 . 1 1 78 78 LYS H H 1 8.370 0.020 . 1 . . . . 78 LYS H . 16406 1 765 . 1 1 78 78 LYS HA H 1 5.008 0.020 . 1 . . . . 78 LYS HA . 16406 1 766 . 1 1 78 78 LYS HB2 H 1 1.058 0.020 . 2 . . . . 78 LYS HB2 . 16406 1 767 . 1 1 78 78 LYS HB3 H 1 1.455 0.020 . 2 . . . . 78 LYS HB3 . 16406 1 768 . 1 1 78 78 LYS HD2 H 1 1.493 0.020 . 2 . . . . 78 LYS HD2 . 16406 1 769 . 1 1 78 78 LYS HD3 H 1 1.626 0.020 . 2 . . . . 78 LYS HD3 . 16406 1 770 . 1 1 78 78 LYS HE2 H 1 2.933 0.020 . 2 . . . . 78 LYS HE2 . 16406 1 771 . 1 1 78 78 LYS HE3 H 1 2.933 0.020 . 2 . . . . 78 LYS HE3 . 16406 1 772 . 1 1 78 78 LYS HG2 H 1 1.085 0.020 . 2 . . . . 78 LYS HG2 . 16406 1 773 . 1 1 78 78 LYS HG3 H 1 1.234 0.020 . 2 . . . . 78 LYS HG3 . 16406 1 774 . 1 1 78 78 LYS CA C 13 54.067 0.400 . 1 . . . . 78 LYS CA . 16406 1 775 . 1 1 78 78 LYS CB C 13 34.942 0.400 . 1 . . . . 78 LYS CB . 16406 1 776 . 1 1 78 78 LYS CD C 13 29.318 0.400 . 1 . . . . 78 LYS CD . 16406 1 777 . 1 1 78 78 LYS CE C 13 42.011 0.400 . 1 . . . . 78 LYS CE . 16406 1 778 . 1 1 78 78 LYS CG C 13 25.819 0.400 . 1 . . . . 78 LYS CG . 16406 1 779 . 1 1 78 78 LYS N N 15 119.286 0.400 . 1 . . . . 78 LYS N . 16406 1 780 . 1 1 79 79 VAL H H 1 8.651 0.020 . 1 . . . . 79 VAL H . 16406 1 781 . 1 1 79 79 VAL HA H 1 3.164 0.020 . 1 . . . . 79 VAL HA . 16406 1 782 . 1 1 79 79 VAL HB H 1 1.887 0.020 . 1 . . . . 79 VAL HB . 16406 1 783 . 1 1 79 79 VAL HG11 H 1 0.910 0.020 . 2 . . . . 79 VAL HG1 . 16406 1 784 . 1 1 79 79 VAL HG12 H 1 0.910 0.020 . 2 . . . . 79 VAL HG1 . 16406 1 785 . 1 1 79 79 VAL HG13 H 1 0.910 0.020 . 2 . . . . 79 VAL HG1 . 16406 1 786 . 1 1 79 79 VAL HG21 H 1 1.085 0.020 . 2 . . . . 79 VAL HG2 . 16406 1 787 . 1 1 79 79 VAL HG22 H 1 1.085 0.020 . 2 . . . . 79 VAL HG2 . 16406 1 788 . 1 1 79 79 VAL HG23 H 1 1.085 0.020 . 2 . . . . 79 VAL HG2 . 16406 1 789 . 1 1 79 79 VAL CA C 13 66.650 0.400 . 1 . . . . 79 VAL CA . 16406 1 790 . 1 1 79 79 VAL CB C 13 31.940 0.400 . 1 . . . . 79 VAL CB . 16406 1 791 . 1 1 79 79 VAL CG1 C 13 21.804 0.400 . 1 . . . . 79 VAL CG1 . 16406 1 792 . 1 1 79 79 VAL CG2 C 13 23.768 0.400 . 1 . . . . 79 VAL CG2 . 16406 1 793 . 1 1 79 79 VAL N N 15 123.193 0.400 . 1 . . . . 79 VAL N . 16406 1 794 . 1 1 80 80 GLY H H 1 8.606 0.020 . 1 . . . . 80 GLY H . 16406 1 795 . 1 1 80 80 GLY HA2 H 1 3.892 0.020 . 2 . . . . 80 GLY HA2 . 16406 1 796 . 1 1 80 80 GLY HA3 H 1 4.640 0.020 . 2 . . . . 80 GLY HA3 . 16406 1 797 . 1 1 80 80 GLY CA C 13 44.454 0.400 . 1 . . . . 80 GLY CA . 16406 1 798 . 1 1 80 80 GLY N N 15 115.873 0.400 . 1 . . . . 80 GLY N . 16406 1 799 . 1 1 81 81 GLY H H 1 9.304 0.020 . 1 . . . . 81 GLY H . 16406 1 800 . 1 1 81 81 GLY HA2 H 1 3.569 0.020 . 2 . . . . 81 GLY HA2 . 16406 1 801 . 1 1 81 81 GLY HA3 H 1 3.923 0.020 . 2 . . . . 81 GLY HA3 . 16406 1 802 . 1 1 81 81 GLY CA C 13 45.092 0.400 . 1 . . . . 81 GLY CA . 16406 1 803 . 1 1 81 81 GLY N N 15 111.025 0.400 . 1 . . . . 81 GLY N . 16406 1 804 . 1 1 82 82 VAL H H 1 8.445 0.020 . 1 . . . . 82 VAL H . 16406 1 805 . 1 1 82 82 VAL HA H 1 5.158 0.020 . 1 . . . . 82 VAL HA . 16406 1 806 . 1 1 82 82 VAL HB H 1 1.915 0.020 . 1 . . . . 82 VAL HB . 16406 1 807 . 1 1 82 82 VAL HG11 H 1 0.885 0.020 . 2 . . . . 82 VAL HG1 . 16406 1 808 . 1 1 82 82 VAL HG12 H 1 0.885 0.020 . 2 . . . . 82 VAL HG1 . 16406 1 809 . 1 1 82 82 VAL HG13 H 1 0.885 0.020 . 2 . . . . 82 VAL HG1 . 16406 1 810 . 1 1 82 82 VAL HG21 H 1 0.891 0.020 . 2 . . . . 82 VAL HG2 . 16406 1 811 . 1 1 82 82 VAL HG22 H 1 0.891 0.020 . 2 . . . . 82 VAL HG2 . 16406 1 812 . 1 1 82 82 VAL HG23 H 1 0.891 0.020 . 2 . . . . 82 VAL HG2 . 16406 1 813 . 1 1 82 82 VAL CA C 13 61.591 0.400 . 1 . . . . 82 VAL CA . 16406 1 814 . 1 1 82 82 VAL CB C 13 34.546 0.400 . 1 . . . . 82 VAL CB . 16406 1 815 . 1 1 82 82 VAL CG1 C 13 21.096 0.400 . 1 . . . . 82 VAL CG1 . 16406 1 816 . 1 1 82 82 VAL N N 15 119.622 0.400 . 1 . . . . 82 VAL N . 16406 1 817 . 1 1 83 83 ARG H H 1 9.439 0.020 . 1 . . . . 83 ARG H . 16406 1 818 . 1 1 83 83 ARG HA H 1 5.350 0.020 . 1 . . . . 83 ARG HA . 16406 1 819 . 1 1 83 83 ARG HB2 H 1 1.913 0.020 . 2 . . . . 83 ARG HB2 . 16406 1 820 . 1 1 83 83 ARG HB3 H 1 2.065 0.020 . 2 . . . . 83 ARG HB3 . 16406 1 821 . 1 1 83 83 ARG HD2 H 1 2.900 0.020 . 2 . . . . 83 ARG HD2 . 16406 1 822 . 1 1 83 83 ARG HD3 H 1 2.900 0.020 . 2 . . . . 83 ARG HD3 . 16406 1 823 . 1 1 83 83 ARG HG2 H 1 1.489 0.020 . 2 . . . . 83 ARG HG2 . 16406 1 824 . 1 1 83 83 ARG HG3 H 1 1.489 0.020 . 2 . . . . 83 ARG HG3 . 16406 1 825 . 1 1 83 83 ARG CA C 13 54.691 0.400 . 1 . . . . 83 ARG CA . 16406 1 826 . 1 1 83 83 ARG CB C 13 36.038 0.400 . 1 . . . . 83 ARG CB . 16406 1 827 . 1 1 83 83 ARG CD C 13 42.823 0.400 . 1 . . . . 83 ARG CD . 16406 1 828 . 1 1 83 83 ARG CG C 13 26.416 0.400 . 1 . . . . 83 ARG CG . 16406 1 829 . 1 1 83 83 ARG N N 15 130.470 0.400 . 1 . . . . 83 ARG N . 16406 1 830 . 1 1 84 84 ARG H H 1 9.616 0.020 . 1 . . . . 84 ARG H . 16406 1 831 . 1 1 84 84 ARG HA H 1 5.741 0.020 . 1 . . . . 84 ARG HA . 16406 1 832 . 1 1 84 84 ARG HB2 H 1 1.694 0.020 . 2 . . . . 84 ARG HB2 . 16406 1 833 . 1 1 84 84 ARG HB3 H 1 2.015 0.020 . 2 . . . . 84 ARG HB3 . 16406 1 834 . 1 1 84 84 ARG HD2 H 1 3.190 0.020 . 2 . . . . 84 ARG HD2 . 16406 1 835 . 1 1 84 84 ARG HD3 H 1 3.190 0.020 . 2 . . . . 84 ARG HD3 . 16406 1 836 . 1 1 84 84 ARG HG2 H 1 1.605 0.020 . 2 . . . . 84 ARG HG2 . 16406 1 837 . 1 1 84 84 ARG HG3 H 1 1.605 0.020 . 2 . . . . 84 ARG HG3 . 16406 1 838 . 1 1 84 84 ARG CA C 13 54.318 0.400 . 1 . . . . 84 ARG CA . 16406 1 839 . 1 1 84 84 ARG CB C 13 33.020 0.400 . 1 . . . . 84 ARG CB . 16406 1 840 . 1 1 84 84 ARG CD C 13 43.502 0.400 . 1 . . . . 84 ARG CD . 16406 1 841 . 1 1 84 84 ARG CG C 13 27.493 0.400 . 1 . . . . 84 ARG CG . 16406 1 842 . 1 1 84 84 ARG N N 15 127.473 0.400 . 1 . . . . 84 ARG N . 16406 1 843 . 1 1 85 85 LEU H H 1 10.130 0.020 . 1 . . . . 85 LEU H . 16406 1 844 . 1 1 85 85 LEU HA H 1 5.265 0.020 . 1 . . . . 85 LEU HA . 16406 1 845 . 1 1 85 85 LEU HB2 H 1 1.426 0.020 . 2 . . . . 85 LEU HB2 . 16406 1 846 . 1 1 85 85 LEU HB3 H 1 2.022 0.020 . 2 . . . . 85 LEU HB3 . 16406 1 847 . 1 1 85 85 LEU HD11 H 1 0.605 0.020 . 2 . . . . 85 LEU HD1 . 16406 1 848 . 1 1 85 85 LEU HD12 H 1 0.605 0.020 . 2 . . . . 85 LEU HD1 . 16406 1 849 . 1 1 85 85 LEU HD13 H 1 0.605 0.020 . 2 . . . . 85 LEU HD1 . 16406 1 850 . 1 1 85 85 LEU HD21 H 1 0.800 0.020 . 2 . . . . 85 LEU HD2 . 16406 1 851 . 1 1 85 85 LEU HD22 H 1 0.800 0.020 . 2 . . . . 85 LEU HD2 . 16406 1 852 . 1 1 85 85 LEU HD23 H 1 0.800 0.020 . 2 . . . . 85 LEU HD2 . 16406 1 853 . 1 1 85 85 LEU HG H 1 1.620 0.020 . 1 . . . . 85 LEU HG . 16406 1 854 . 1 1 85 85 LEU CA C 13 53.938 0.400 . 1 . . . . 85 LEU CA . 16406 1 855 . 1 1 85 85 LEU CB C 13 45.752 0.400 . 1 . . . . 85 LEU CB . 16406 1 856 . 1 1 85 85 LEU CD1 C 13 26.259 0.400 . 1 . . . . 85 LEU CD1 . 16406 1 857 . 1 1 85 85 LEU CD2 C 13 24.908 0.400 . 1 . . . . 85 LEU CD2 . 16406 1 858 . 1 1 85 85 LEU CG C 13 27.121 0.400 . 1 . . . . 85 LEU CG . 16406 1 859 . 1 1 85 85 LEU N N 15 128.541 0.400 . 1 . . . . 85 LEU N . 16406 1 860 . 1 1 86 86 THR H H 1 9.590 0.020 . 1 . . . . 86 THR H . 16406 1 861 . 1 1 86 86 THR HA H 1 5.045 0.020 . 1 . . . . 86 THR HA . 16406 1 862 . 1 1 86 86 THR HB H 1 4.140 0.020 . 1 . . . . 86 THR HB . 16406 1 863 . 1 1 86 86 THR HG21 H 1 1.043 0.020 . 1 . . . . 86 THR HG2 . 16406 1 864 . 1 1 86 86 THR HG22 H 1 1.043 0.020 . 1 . . . . 86 THR HG2 . 16406 1 865 . 1 1 86 86 THR HG23 H 1 1.043 0.020 . 1 . . . . 86 THR HG2 . 16406 1 866 . 1 1 86 86 THR CA C 13 63.533 0.400 . 1 . . . . 86 THR CA . 16406 1 867 . 1 1 86 86 THR CB C 13 68.889 0.400 . 1 . . . . 86 THR CB . 16406 1 868 . 1 1 86 86 THR CG2 C 13 20.636 0.400 . 1 . . . . 86 THR CG2 . 16406 1 869 . 1 1 86 86 THR N N 15 121.466 0.400 . 1 . . . . 86 THR N . 16406 1 870 . 1 1 87 87 ILE H H 1 10.114 0.020 . 1 . . . . 87 ILE H . 16406 1 871 . 1 1 87 87 ILE HA H 1 4.543 0.020 . 1 . . . . 87 ILE HA . 16406 1 872 . 1 1 87 87 ILE HB H 1 2.131 0.020 . 1 . . . . 87 ILE HB . 16406 1 873 . 1 1 87 87 ILE HD11 H 1 0.958 0.020 . 1 . . . . 87 ILE HD1 . 16406 1 874 . 1 1 87 87 ILE HD12 H 1 0.958 0.020 . 1 . . . . 87 ILE HD1 . 16406 1 875 . 1 1 87 87 ILE HD13 H 1 0.958 0.020 . 1 . . . . 87 ILE HD1 . 16406 1 876 . 1 1 87 87 ILE HG12 H 1 1.865 0.020 . 2 . . . . 87 ILE HG12 . 16406 1 877 . 1 1 87 87 ILE HG13 H 1 1.865 0.020 . 2 . . . . 87 ILE HG13 . 16406 1 878 . 1 1 87 87 ILE HG21 H 1 0.926 0.020 . 1 . . . . 87 ILE HG2 . 16406 1 879 . 1 1 87 87 ILE HG22 H 1 0.926 0.020 . 1 . . . . 87 ILE HG2 . 16406 1 880 . 1 1 87 87 ILE HG23 H 1 0.926 0.020 . 1 . . . . 87 ILE HG2 . 16406 1 881 . 1 1 87 87 ILE CA C 13 58.905 0.400 . 1 . . . . 87 ILE CA . 16406 1 882 . 1 1 87 87 ILE CB C 13 40.471 0.400 . 1 . . . . 87 ILE CB . 16406 1 883 . 1 1 87 87 ILE CD1 C 13 15.336 0.400 . 1 . . . . 87 ILE CD1 . 16406 1 884 . 1 1 87 87 ILE CG1 C 13 27.920 0.400 . 1 . . . . 87 ILE CG1 . 16406 1 885 . 1 1 87 87 ILE CG2 C 13 18.739 0.400 . 1 . . . . 87 ILE CG2 . 16406 1 886 . 1 1 87 87 ILE N N 15 129.663 0.400 . 1 . . . . 87 ILE N . 16406 1 887 . 1 1 89 89 PRO HA H 1 4.426 0.020 . 1 . . . . 89 PRO HA . 16406 1 888 . 1 1 89 89 PRO HB2 H 1 2.018 0.020 . 2 . . . . 89 PRO HB2 . 16406 1 889 . 1 1 89 89 PRO HD2 H 1 3.580 0.020 . 2 . . . . 89 PRO HD2 . 16406 1 890 . 1 1 89 89 PRO HD3 H 1 3.701 0.020 . 2 . . . . 89 PRO HD3 . 16406 1 891 . 1 1 89 89 PRO HG2 H 1 1.707 0.020 . 2 . . . . 89 PRO HG2 . 16406 1 892 . 1 1 89 89 PRO HG3 H 1 1.707 0.020 . 2 . . . . 89 PRO HG3 . 16406 1 893 . 1 1 89 89 PRO CB C 13 31.183 0.400 . 1 . . . . 89 PRO CB . 16406 1 894 . 1 1 89 89 PRO CD C 13 50.446 0.400 . 1 . . . . 89 PRO CD . 16406 1 895 . 1 1 89 89 PRO CG C 13 27.826 0.400 . 1 . . . . 89 PRO CG . 16406 1 896 . 1 1 90 90 GLN H H 1 9.566 0.020 . 1 . . . . 90 GLN H . 16406 1 897 . 1 1 90 90 GLN HA H 1 4.284 0.020 . 1 . . . . 90 GLN HA . 16406 1 898 . 1 1 90 90 GLN HB2 H 1 2.115 0.020 . 2 . . . . 90 GLN HB2 . 16406 1 899 . 1 1 90 90 GLN HB3 H 1 2.115 0.020 . 2 . . . . 90 GLN HB3 . 16406 1 900 . 1 1 90 90 GLN HG2 H 1 2.676 0.020 . 2 . . . . 90 GLN HG2 . 16406 1 901 . 1 1 90 90 GLN HG3 H 1 2.676 0.020 . 2 . . . . 90 GLN HG3 . 16406 1 902 . 1 1 90 90 GLN CA C 13 58.492 0.400 . 1 . . . . 90 GLN CA . 16406 1 903 . 1 1 90 90 GLN CB C 13 26.383 0.400 . 1 . . . . 90 GLN CB . 16406 1 904 . 1 1 90 90 GLN CG C 13 33.210 0.400 . 1 . . . . 90 GLN CG . 16406 1 905 . 1 1 90 90 GLN N N 15 118.511 0.400 . 1 . . . . 90 GLN N . 16406 1 906 . 1 1 91 91 LEU H H 1 7.971 0.020 . 1 . . . . 91 LEU H . 16406 1 907 . 1 1 91 91 LEU HA H 1 4.612 0.020 . 1 . . . . 91 LEU HA . 16406 1 908 . 1 1 91 91 LEU HB2 H 1 1.432 0.020 . 2 . . . . 91 LEU HB2 . 16406 1 909 . 1 1 91 91 LEU HB3 H 1 1.432 0.020 . 2 . . . . 91 LEU HB3 . 16406 1 910 . 1 1 91 91 LEU HD11 H 1 0.853 0.020 . 2 . . . . 91 LEU HD1 . 16406 1 911 . 1 1 91 91 LEU HD12 H 1 0.853 0.020 . 2 . . . . 91 LEU HD1 . 16406 1 912 . 1 1 91 91 LEU HD13 H 1 0.853 0.020 . 2 . . . . 91 LEU HD1 . 16406 1 913 . 1 1 91 91 LEU HD21 H 1 0.792 0.020 . 2 . . . . 91 LEU HD2 . 16406 1 914 . 1 1 91 91 LEU HD22 H 1 0.792 0.020 . 2 . . . . 91 LEU HD2 . 16406 1 915 . 1 1 91 91 LEU HD23 H 1 0.792 0.020 . 2 . . . . 91 LEU HD2 . 16406 1 916 . 1 1 91 91 LEU HG H 1 1.614 0.020 . 1 . . . . 91 LEU HG . 16406 1 917 . 1 1 91 91 LEU CA C 13 53.608 0.400 . 1 . . . . 91 LEU CA . 16406 1 918 . 1 1 91 91 LEU CB C 13 43.085 0.400 . 1 . . . . 91 LEU CB . 16406 1 919 . 1 1 91 91 LEU CD1 C 13 25.956 0.400 . 1 . . . . 91 LEU CD1 . 16406 1 920 . 1 1 91 91 LEU CD2 C 13 22.371 0.400 . 1 . . . . 91 LEU CD2 . 16406 1 921 . 1 1 91 91 LEU CG C 13 25.831 0.400 . 1 . . . . 91 LEU CG . 16406 1 922 . 1 1 91 91 LEU N N 15 119.427 0.400 . 1 . . . . 91 LEU N . 16406 1 923 . 1 1 92 92 GLY H H 1 7.719 0.020 . 1 . . . . 92 GLY H . 16406 1 924 . 1 1 92 92 GLY HA2 H 1 3.290 0.020 . 2 . . . . 92 GLY HA2 . 16406 1 925 . 1 1 92 92 GLY HA3 H 1 4.197 0.020 . 2 . . . . 92 GLY HA3 . 16406 1 926 . 1 1 92 92 GLY CA C 13 45.181 0.400 . 1 . . . . 92 GLY CA . 16406 1 927 . 1 1 92 92 GLY N N 15 110.266 0.400 . 1 . . . . 92 GLY N . 16406 1 928 . 1 1 93 93 TYR H H 1 9.735 0.020 . 1 . . . . 93 TYR H . 16406 1 929 . 1 1 93 93 TYR HA H 1 4.448 0.020 . 1 . . . . 93 TYR HA . 16406 1 930 . 1 1 93 93 TYR HB2 H 1 2.507 0.020 . 2 . . . . 93 TYR HB2 . 16406 1 931 . 1 1 93 93 TYR HB3 H 1 3.151 0.020 . 2 . . . . 93 TYR HB3 . 16406 1 932 . 1 1 93 93 TYR HD1 H 1 6.988 0.020 . 1 . . . . 93 TYR HD1 . 16406 1 933 . 1 1 93 93 TYR HD2 H 1 6.988 0.020 . 1 . . . . 93 TYR HD2 . 16406 1 934 . 1 1 93 93 TYR HE1 H 1 6.498 0.020 . 1 . . . . 93 TYR HE1 . 16406 1 935 . 1 1 93 93 TYR HE2 H 1 6.498 0.020 . 1 . . . . 93 TYR HE2 . 16406 1 936 . 1 1 93 93 TYR CA C 13 58.783 0.400 . 1 . . . . 93 TYR CA . 16406 1 937 . 1 1 93 93 TYR CB C 13 37.777 0.400 . 1 . . . . 93 TYR CB . 16406 1 938 . 1 1 93 93 TYR N N 15 127.032 0.400 . 1 . . . . 93 TYR N . 16406 1 939 . 1 1 94 94 GLY H H 1 8.458 0.020 . 1 . . . . 94 GLY H . 16406 1 940 . 1 1 94 94 GLY HA2 H 1 3.607 0.020 . 2 . . . . 94 GLY HA2 . 16406 1 941 . 1 1 94 94 GLY HA3 H 1 3.913 0.020 . 2 . . . . 94 GLY HA3 . 16406 1 942 . 1 1 94 94 GLY CA C 13 46.915 0.400 . 1 . . . . 94 GLY CA . 16406 1 943 . 1 1 94 94 GLY N N 15 108.189 0.400 . 1 . . . . 94 GLY N . 16406 1 944 . 1 1 95 95 ALA HA H 1 4.147 0.020 . 1 . . . . 95 ALA HA . 16406 1 945 . 1 1 95 95 ALA HB1 H 1 1.450 0.020 . 1 . . . . 95 ALA HB . 16406 1 946 . 1 1 95 95 ALA HB2 H 1 1.450 0.020 . 1 . . . . 95 ALA HB . 16406 1 947 . 1 1 95 95 ALA HB3 H 1 1.450 0.020 . 1 . . . . 95 ALA HB . 16406 1 948 . 1 1 95 95 ALA CA C 13 53.467 0.400 . 1 . . . . 95 ALA CA . 16406 1 949 . 1 1 95 95 ALA CB C 13 18.823 0.400 . 1 . . . . 95 ALA CB . 16406 1 950 . 1 1 96 96 ARG H H 1 8.053 0.020 . 1 . . . . 96 ARG H . 16406 1 951 . 1 1 96 96 ARG HA H 1 4.218 0.020 . 1 . . . . 96 ARG HA . 16406 1 952 . 1 1 96 96 ARG HB2 H 1 1.984 0.020 . 2 . . . . 96 ARG HB2 . 16406 1 953 . 1 1 96 96 ARG HB3 H 1 1.984 0.020 . 2 . . . . 96 ARG HB3 . 16406 1 954 . 1 1 96 96 ARG HD2 H 1 3.236 0.020 . 2 . . . . 96 ARG HD2 . 16406 1 955 . 1 1 96 96 ARG HD3 H 1 3.236 0.020 . 2 . . . . 96 ARG HD3 . 16406 1 956 . 1 1 96 96 ARG HG2 H 1 1.728 0.020 . 2 . . . . 96 ARG HG2 . 16406 1 957 . 1 1 96 96 ARG HG3 H 1 1.728 0.020 . 2 . . . . 96 ARG HG3 . 16406 1 958 . 1 1 96 96 ARG CA C 13 57.429 0.400 . 1 . . . . 96 ARG CA . 16406 1 959 . 1 1 96 96 ARG CB C 13 31.324 0.400 . 1 . . . . 96 ARG CB . 16406 1 960 . 1 1 96 96 ARG CD C 13 43.343 0.400 . 1 . . . . 96 ARG CD . 16406 1 961 . 1 1 96 96 ARG CG C 13 27.370 0.400 . 1 . . . . 96 ARG CG . 16406 1 962 . 1 1 96 96 ARG N N 15 115.560 0.400 . 1 . . . . 96 ARG N . 16406 1 963 . 1 1 97 97 GLY H H 1 7.050 0.020 . 1 . . . . 97 GLY H . 16406 1 964 . 1 1 97 97 GLY HA2 H 1 3.273 0.020 . 2 . . . . 97 GLY HA2 . 16406 1 965 . 1 1 97 97 GLY HA3 H 1 3.826 0.020 . 2 . . . . 97 GLY HA3 . 16406 1 966 . 1 1 97 97 GLY CA C 13 44.710 0.400 . 1 . . . . 97 GLY CA . 16406 1 967 . 1 1 97 97 GLY N N 15 104.121 0.400 . 1 . . . . 97 GLY N . 16406 1 968 . 1 1 98 98 ALA H H 1 8.382 0.020 . 1 . . . . 98 ALA H . 16406 1 969 . 1 1 98 98 ALA HA H 1 4.304 0.020 . 1 . . . . 98 ALA HA . 16406 1 970 . 1 1 98 98 ALA HB1 H 1 0.455 0.020 . 1 . . . . 98 ALA HB . 16406 1 971 . 1 1 98 98 ALA HB2 H 1 0.455 0.020 . 1 . . . . 98 ALA HB . 16406 1 972 . 1 1 98 98 ALA HB3 H 1 0.455 0.020 . 1 . . . . 98 ALA HB . 16406 1 973 . 1 1 98 98 ALA CA C 13 52.491 0.400 . 1 . . . . 98 ALA CA . 16406 1 974 . 1 1 98 98 ALA CB C 13 20.132 0.400 . 1 . . . . 98 ALA CB . 16406 1 975 . 1 1 98 98 ALA N N 15 120.680 0.400 . 1 . . . . 98 ALA N . 16406 1 976 . 1 1 99 99 GLY H H 1 8.729 0.020 . 1 . . . . 99 GLY H . 16406 1 977 . 1 1 99 99 GLY HA2 H 1 3.809 0.020 . 2 . . . . 99 GLY HA2 . 16406 1 978 . 1 1 99 99 GLY HA3 H 1 4.014 0.020 . 2 . . . . 99 GLY HA3 . 16406 1 979 . 1 1 99 99 GLY CA C 13 46.836 0.400 . 1 . . . . 99 GLY CA . 16406 1 980 . 1 1 99 99 GLY N N 15 111.153 0.400 . 1 . . . . 99 GLY N . 16406 1 981 . 1 1 100 100 GLY H H 1 8.674 0.020 . 1 . . . . 100 GLY H . 16406 1 982 . 1 1 100 100 GLY HA2 H 1 3.801 0.020 . 2 . . . . 100 GLY HA2 . 16406 1 983 . 1 1 100 100 GLY HA3 H 1 3.984 0.020 . 2 . . . . 100 GLY HA3 . 16406 1 984 . 1 1 100 100 GLY CA C 13 45.624 0.400 . 1 . . . . 100 GLY CA . 16406 1 985 . 1 1 100 100 GLY N N 15 110.992 0.400 . 1 . . . . 100 GLY N . 16406 1 986 . 1 1 101 101 VAL H H 1 7.752 0.020 . 1 . . . . 101 VAL H . 16406 1 987 . 1 1 101 101 VAL HA H 1 4.115 0.020 . 1 . . . . 101 VAL HA . 16406 1 988 . 1 1 101 101 VAL HB H 1 1.975 0.020 . 1 . . . . 101 VAL HB . 16406 1 989 . 1 1 101 101 VAL HG11 H 1 0.915 0.020 . 2 . . . . 101 VAL HG1 . 16406 1 990 . 1 1 101 101 VAL HG12 H 1 0.915 0.020 . 2 . . . . 101 VAL HG1 . 16406 1 991 . 1 1 101 101 VAL HG13 H 1 0.915 0.020 . 2 . . . . 101 VAL HG1 . 16406 1 992 . 1 1 101 101 VAL HG21 H 1 0.919 0.020 . 2 . . . . 101 VAL HG2 . 16406 1 993 . 1 1 101 101 VAL HG22 H 1 0.919 0.020 . 2 . . . . 101 VAL HG2 . 16406 1 994 . 1 1 101 101 VAL HG23 H 1 0.919 0.020 . 2 . . . . 101 VAL HG2 . 16406 1 995 . 1 1 101 101 VAL CA C 13 62.953 0.400 . 1 . . . . 101 VAL CA . 16406 1 996 . 1 1 101 101 VAL CB C 13 34.165 0.400 . 1 . . . . 101 VAL CB . 16406 1 997 . 1 1 101 101 VAL CG1 C 13 20.691 0.400 . 1 . . . . 101 VAL CG1 . 16406 1 998 . 1 1 101 101 VAL N N 15 116.662 0.400 . 1 . . . . 101 VAL N . 16406 1 999 . 1 1 102 102 ILE H H 1 7.489 0.020 . 1 . . . . 102 ILE H . 16406 1 1000 . 1 1 102 102 ILE HA H 1 4.230 0.020 . 1 . . . . 102 ILE HA . 16406 1 1001 . 1 1 102 102 ILE HB H 1 1.427 0.020 . 1 . . . . 102 ILE HB . 16406 1 1002 . 1 1 102 102 ILE HD11 H 1 -0.012 0.020 . 1 . . . . 102 ILE HD1 . 16406 1 1003 . 1 1 102 102 ILE HD12 H 1 -0.012 0.020 . 1 . . . . 102 ILE HD1 . 16406 1 1004 . 1 1 102 102 ILE HD13 H 1 -0.012 0.020 . 1 . . . . 102 ILE HD1 . 16406 1 1005 . 1 1 102 102 ILE HG12 H 1 0.085 0.020 . 2 . . . . 102 ILE HG12 . 16406 1 1006 . 1 1 102 102 ILE HG13 H 1 0.863 0.020 . 2 . . . . 102 ILE HG13 . 16406 1 1007 . 1 1 102 102 ILE HG21 H 1 0.720 0.020 . 1 . . . . 102 ILE HG2 . 16406 1 1008 . 1 1 102 102 ILE HG22 H 1 0.720 0.020 . 1 . . . . 102 ILE HG2 . 16406 1 1009 . 1 1 102 102 ILE HG23 H 1 0.720 0.020 . 1 . . . . 102 ILE HG2 . 16406 1 1010 . 1 1 102 102 ILE CA C 13 57.822 0.400 . 1 . . . . 102 ILE CA . 16406 1 1011 . 1 1 102 102 ILE CB C 13 38.880 0.400 . 1 . . . . 102 ILE CB . 16406 1 1012 . 1 1 102 102 ILE CD1 C 13 13.021 0.400 . 1 . . . . 102 ILE CD1 . 16406 1 1013 . 1 1 102 102 ILE CG1 C 13 27.003 0.400 . 1 . . . . 102 ILE CG1 . 16406 1 1014 . 1 1 102 102 ILE CG2 C 13 17.852 0.400 . 1 . . . . 102 ILE CG2 . 16406 1 1015 . 1 1 102 102 ILE N N 15 119.845 0.400 . 1 . . . . 102 ILE N . 16406 1 1016 . 1 1 104 104 PRO HA H 1 3.762 0.020 . 1 . . . . 104 PRO HA . 16406 1 1017 . 1 1 104 104 PRO HB2 H 1 1.658 0.020 . 2 . . . . 104 PRO HB2 . 16406 1 1018 . 1 1 104 104 PRO HB3 H 1 2.401 0.020 . 2 . . . . 104 PRO HB3 . 16406 1 1019 . 1 1 104 104 PRO HD2 H 1 3.466 0.020 . 2 . . . . 104 PRO HD2 . 16406 1 1020 . 1 1 104 104 PRO HD3 H 1 3.708 0.020 . 2 . . . . 104 PRO HD3 . 16406 1 1021 . 1 1 104 104 PRO HG2 H 1 1.727 0.020 . 2 . . . . 104 PRO HG2 . 16406 1 1022 . 1 1 104 104 PRO HG3 H 1 1.727 0.020 . 2 . . . . 104 PRO HG3 . 16406 1 1023 . 1 1 104 104 PRO CA C 13 63.531 0.400 . 1 . . . . 104 PRO CA . 16406 1 1024 . 1 1 104 104 PRO CB C 13 33.181 0.400 . 1 . . . . 104 PRO CB . 16406 1 1025 . 1 1 104 104 PRO CD C 13 50.802 0.400 . 1 . . . . 104 PRO CD . 16406 1 1026 . 1 1 104 104 PRO CG C 13 27.961 0.400 . 1 . . . . 104 PRO CG . 16406 1 1027 . 1 1 105 105 ASN H H 1 8.546 0.020 . 1 . . . . 105 ASN H . 16406 1 1028 . 1 1 105 105 ASN HA H 1 3.933 0.020 . 1 . . . . 105 ASN HA . 16406 1 1029 . 1 1 105 105 ASN HB2 H 1 2.770 0.020 . 2 . . . . 105 ASN HB2 . 16406 1 1030 . 1 1 105 105 ASN HB3 H 1 2.927 0.020 . 2 . . . . 105 ASN HB3 . 16406 1 1031 . 1 1 105 105 ASN CA C 13 54.424 0.400 . 1 . . . . 105 ASN CA . 16406 1 1032 . 1 1 105 105 ASN CB C 13 37.340 0.400 . 1 . . . . 105 ASN CB . 16406 1 1033 . 1 1 105 105 ASN N N 15 117.184 0.400 . 1 . . . . 105 ASN N . 16406 1 1034 . 1 1 106 106 ALA H H 1 7.744 0.020 . 1 . . . . 106 ALA H . 16406 1 1035 . 1 1 106 106 ALA HA H 1 4.403 0.020 . 1 . . . . 106 ALA HA . 16406 1 1036 . 1 1 106 106 ALA HB1 H 1 1.232 0.020 . 1 . . . . 106 ALA HB . 16406 1 1037 . 1 1 106 106 ALA HB2 H 1 1.232 0.020 . 1 . . . . 106 ALA HB . 16406 1 1038 . 1 1 106 106 ALA HB3 H 1 1.232 0.020 . 1 . . . . 106 ALA HB . 16406 1 1039 . 1 1 106 106 ALA CA C 13 52.624 0.400 . 1 . . . . 106 ALA CA . 16406 1 1040 . 1 1 106 106 ALA CB C 13 20.684 0.400 . 1 . . . . 106 ALA CB . 16406 1 1041 . 1 1 106 106 ALA N N 15 121.314 0.400 . 1 . . . . 106 ALA N . 16406 1 1042 . 1 1 107 107 THR H H 1 8.458 0.020 . 1 . . . . 107 THR H . 16406 1 1043 . 1 1 107 107 THR HA H 1 4.754 0.020 . 1 . . . . 107 THR HA . 16406 1 1044 . 1 1 107 107 THR HB H 1 3.993 0.020 . 1 . . . . 107 THR HB . 16406 1 1045 . 1 1 107 107 THR HG21 H 1 1.006 0.020 . 1 . . . . 107 THR HG2 . 16406 1 1046 . 1 1 107 107 THR HG22 H 1 1.006 0.020 . 1 . . . . 107 THR HG2 . 16406 1 1047 . 1 1 107 107 THR HG23 H 1 1.006 0.020 . 1 . . . . 107 THR HG2 . 16406 1 1048 . 1 1 107 107 THR CA C 13 63.482 0.400 . 1 . . . . 107 THR CA . 16406 1 1049 . 1 1 107 107 THR CB C 13 69.374 0.400 . 1 . . . . 107 THR CB . 16406 1 1050 . 1 1 107 107 THR CG2 C 13 20.804 0.400 . 1 . . . . 107 THR CG2 . 16406 1 1051 . 1 1 107 107 THR N N 15 121.754 0.400 . 1 . . . . 107 THR N . 16406 1 1052 . 1 1 108 108 LEU H H 1 8.884 0.020 . 1 . . . . 108 LEU H . 16406 1 1053 . 1 1 108 108 LEU HA H 1 5.095 0.020 . 1 . . . . 108 LEU HA . 16406 1 1054 . 1 1 108 108 LEU HB2 H 1 1.498 0.020 . 2 . . . . 108 LEU HB2 . 16406 1 1055 . 1 1 108 108 LEU HB3 H 1 1.881 0.020 . 2 . . . . 108 LEU HB3 . 16406 1 1056 . 1 1 108 108 LEU HD11 H 1 0.732 0.020 . 2 . . . . 108 LEU HD1 . 16406 1 1057 . 1 1 108 108 LEU HD12 H 1 0.732 0.020 . 2 . . . . 108 LEU HD1 . 16406 1 1058 . 1 1 108 108 LEU HD13 H 1 0.732 0.020 . 2 . . . . 108 LEU HD1 . 16406 1 1059 . 1 1 108 108 LEU HD21 H 1 1.164 0.020 . 2 . . . . 108 LEU HD2 . 16406 1 1060 . 1 1 108 108 LEU HD22 H 1 1.164 0.020 . 2 . . . . 108 LEU HD2 . 16406 1 1061 . 1 1 108 108 LEU HD23 H 1 1.164 0.020 . 2 . . . . 108 LEU HD2 . 16406 1 1062 . 1 1 108 108 LEU HG H 1 1.875 0.020 . 1 . . . . 108 LEU HG . 16406 1 1063 . 1 1 108 108 LEU CA C 13 53.083 0.400 . 1 . . . . 108 LEU CA . 16406 1 1064 . 1 1 108 108 LEU CB C 13 46.666 0.400 . 1 . . . . 108 LEU CB . 16406 1 1065 . 1 1 108 108 LEU CD1 C 13 26.800 0.400 . 1 . . . . 108 LEU CD1 . 16406 1 1066 . 1 1 108 108 LEU CD2 C 13 23.350 0.400 . 1 . . . . 108 LEU CD2 . 16406 1 1067 . 1 1 108 108 LEU CG C 13 27.161 0.400 . 1 . . . . 108 LEU CG . 16406 1 1068 . 1 1 108 108 LEU N N 15 125.839 0.400 . 1 . . . . 108 LEU N . 16406 1 1069 . 1 1 109 109 VAL H H 1 8.970 0.020 . 1 . . . . 109 VAL H . 16406 1 1070 . 1 1 109 109 VAL HA H 1 5.481 0.020 . 1 . . . . 109 VAL HA . 16406 1 1071 . 1 1 109 109 VAL HB H 1 2.037 0.020 . 1 . . . . 109 VAL HB . 16406 1 1072 . 1 1 109 109 VAL HG11 H 1 0.910 0.020 . 2 . . . . 109 VAL HG1 . 16406 1 1073 . 1 1 109 109 VAL HG12 H 1 0.910 0.020 . 2 . . . . 109 VAL HG1 . 16406 1 1074 . 1 1 109 109 VAL HG13 H 1 0.910 0.020 . 2 . . . . 109 VAL HG1 . 16406 1 1075 . 1 1 109 109 VAL HG21 H 1 0.910 0.020 . 2 . . . . 109 VAL HG2 . 16406 1 1076 . 1 1 109 109 VAL HG22 H 1 0.910 0.020 . 2 . . . . 109 VAL HG2 . 16406 1 1077 . 1 1 109 109 VAL HG23 H 1 0.910 0.020 . 2 . . . . 109 VAL HG2 . 16406 1 1078 . 1 1 109 109 VAL CA C 13 60.826 0.400 . 1 . . . . 109 VAL CA . 16406 1 1079 . 1 1 109 109 VAL CB C 13 34.093 0.400 . 1 . . . . 109 VAL CB . 16406 1 1080 . 1 1 109 109 VAL CG1 C 13 20.872 0.400 . 1 . . . . 109 VAL CG1 . 16406 1 1081 . 1 1 109 109 VAL N N 15 122.756 0.400 . 1 . . . . 109 VAL N . 16406 1 1082 . 1 1 110 110 PHE H H 1 9.778 0.020 . 1 . . . . 110 PHE H . 16406 1 1083 . 1 1 110 110 PHE HA H 1 6.392 0.020 . 1 . . . . 110 PHE HA . 16406 1 1084 . 1 1 110 110 PHE HB2 H 1 2.760 0.020 . 2 . . . . 110 PHE HB2 . 16406 1 1085 . 1 1 110 110 PHE HB3 H 1 2.929 0.020 . 2 . . . . 110 PHE HB3 . 16406 1 1086 . 1 1 110 110 PHE HD1 H 1 7.264 0.020 . 1 . . . . 110 PHE HD1 . 16406 1 1087 . 1 1 110 110 PHE HD2 H 1 7.264 0.020 . 1 . . . . 110 PHE HD2 . 16406 1 1088 . 1 1 110 110 PHE HZ H 1 7.634 0.020 . 1 . . . . 110 PHE HZ . 16406 1 1089 . 1 1 110 110 PHE CA C 13 55.373 0.400 . 1 . . . . 110 PHE CA . 16406 1 1090 . 1 1 110 110 PHE CB C 13 44.942 0.400 . 1 . . . . 110 PHE CB . 16406 1 1091 . 1 1 110 110 PHE N N 15 121.452 0.400 . 1 . . . . 110 PHE N . 16406 1 1092 . 1 1 111 111 GLU H H 1 9.180 0.020 . 1 . . . . 111 GLU H . 16406 1 1093 . 1 1 111 111 GLU HA H 1 5.196 0.020 . 1 . . . . 111 GLU HA . 16406 1 1094 . 1 1 111 111 GLU HB2 H 1 2.092 0.020 . 2 . . . . 111 GLU HB2 . 16406 1 1095 . 1 1 111 111 GLU HB3 H 1 2.247 0.020 . 2 . . . . 111 GLU HB3 . 16406 1 1096 . 1 1 111 111 GLU HG2 H 1 2.093 0.020 . 2 . . . . 111 GLU HG2 . 16406 1 1097 . 1 1 111 111 GLU HG3 H 1 2.324 0.020 . 2 . . . . 111 GLU HG3 . 16406 1 1098 . 1 1 111 111 GLU CA C 13 56.769 0.400 . 1 . . . . 111 GLU CA . 16406 1 1099 . 1 1 111 111 GLU CB C 13 32.281 0.400 . 1 . . . . 111 GLU CB . 16406 1 1100 . 1 1 111 111 GLU CG C 13 38.282 0.400 . 1 . . . . 111 GLU CG . 16406 1 1101 . 1 1 111 111 GLU N N 15 121.691 0.400 . 1 . . . . 111 GLU N . 16406 1 1102 . 1 1 112 112 VAL H H 1 9.307 0.020 . 1 . . . . 112 VAL H . 16406 1 1103 . 1 1 112 112 VAL HA H 1 4.852 0.020 . 1 . . . . 112 VAL HA . 16406 1 1104 . 1 1 112 112 VAL HB H 1 1.751 0.020 . 1 . . . . 112 VAL HB . 16406 1 1105 . 1 1 112 112 VAL HG11 H 1 0.403 0.020 . 2 . . . . 112 VAL HG1 . 16406 1 1106 . 1 1 112 112 VAL HG12 H 1 0.403 0.020 . 2 . . . . 112 VAL HG1 . 16406 1 1107 . 1 1 112 112 VAL HG13 H 1 0.403 0.020 . 2 . . . . 112 VAL HG1 . 16406 1 1108 . 1 1 112 112 VAL HG21 H 1 0.572 0.020 . 2 . . . . 112 VAL HG2 . 16406 1 1109 . 1 1 112 112 VAL HG22 H 1 0.572 0.020 . 2 . . . . 112 VAL HG2 . 16406 1 1110 . 1 1 112 112 VAL HG23 H 1 0.572 0.020 . 2 . . . . 112 VAL HG2 . 16406 1 1111 . 1 1 112 112 VAL CA C 13 61.085 0.400 . 1 . . . . 112 VAL CA . 16406 1 1112 . 1 1 112 112 VAL CB C 13 34.647 0.400 . 1 . . . . 112 VAL CB . 16406 1 1113 . 1 1 112 112 VAL CG1 C 13 20.894 0.400 . 1 . . . . 112 VAL CG1 . 16406 1 1114 . 1 1 112 112 VAL CG2 C 13 21.048 0.400 . 1 . . . . 112 VAL CG2 . 16406 1 1115 . 1 1 112 112 VAL N N 15 126.159 0.400 . 1 . . . . 112 VAL N . 16406 1 1116 . 1 1 113 113 GLU H H 1 9.550 0.020 . 1 . . . . 113 GLU H . 16406 1 1117 . 1 1 113 113 GLU HA H 1 5.475 0.020 . 1 . . . . 113 GLU HA . 16406 1 1118 . 1 1 113 113 GLU HB2 H 1 1.928 0.020 . 2 . . . . 113 GLU HB2 . 16406 1 1119 . 1 1 113 113 GLU HB3 H 1 2.027 0.020 . 2 . . . . 113 GLU HB3 . 16406 1 1120 . 1 1 113 113 GLU HG2 H 1 1.974 0.020 . 2 . . . . 113 GLU HG2 . 16406 1 1121 . 1 1 113 113 GLU HG3 H 1 2.140 0.020 . 2 . . . . 113 GLU HG3 . 16406 1 1122 . 1 1 113 113 GLU CA C 13 53.244 0.400 . 1 . . . . 113 GLU CA . 16406 1 1123 . 1 1 113 113 GLU CB C 13 32.504 0.400 . 1 . . . . 113 GLU CB . 16406 1 1124 . 1 1 113 113 GLU CG C 13 35.486 0.400 . 1 . . . . 113 GLU CG . 16406 1 1125 . 1 1 113 113 GLU N N 15 128.018 0.400 . 1 . . . . 113 GLU N . 16406 1 1126 . 1 1 114 114 LEU H H 1 8.275 0.020 . 1 . . . . 114 LEU H . 16406 1 1127 . 1 1 114 114 LEU HA H 1 4.658 0.020 . 1 . . . . 114 LEU HA . 16406 1 1128 . 1 1 114 114 LEU HB2 H 1 1.177 0.020 . 2 . . . . 114 LEU HB2 . 16406 1 1129 . 1 1 114 114 LEU HB3 H 1 2.064 0.020 . 2 . . . . 114 LEU HB3 . 16406 1 1130 . 1 1 114 114 LEU HD11 H 1 0.578 0.020 . 2 . . . . 114 LEU HD1 . 16406 1 1131 . 1 1 114 114 LEU HD12 H 1 0.578 0.020 . 2 . . . . 114 LEU HD1 . 16406 1 1132 . 1 1 114 114 LEU HD13 H 1 0.578 0.020 . 2 . . . . 114 LEU HD1 . 16406 1 1133 . 1 1 114 114 LEU HD21 H 1 0.885 0.020 . 2 . . . . 114 LEU HD2 . 16406 1 1134 . 1 1 114 114 LEU HD22 H 1 0.885 0.020 . 2 . . . . 114 LEU HD2 . 16406 1 1135 . 1 1 114 114 LEU HD23 H 1 0.885 0.020 . 2 . . . . 114 LEU HD2 . 16406 1 1136 . 1 1 114 114 LEU HG H 1 1.254 0.020 . 1 . . . . 114 LEU HG . 16406 1 1137 . 1 1 114 114 LEU CA C 13 55.225 0.400 . 1 . . . . 114 LEU CA . 16406 1 1138 . 1 1 114 114 LEU CB C 13 41.598 0.400 . 1 . . . . 114 LEU CB . 16406 1 1139 . 1 1 114 114 LEU CD1 C 13 20.953 0.400 . 1 . . . . 114 LEU CD1 . 16406 1 1140 . 1 1 114 114 LEU CD2 C 13 20.958 0.400 . 1 . . . . 114 LEU CD2 . 16406 1 1141 . 1 1 114 114 LEU CG C 13 27.750 0.400 . 1 . . . . 114 LEU CG . 16406 1 1142 . 1 1 114 114 LEU N N 15 126.110 0.400 . 1 . . . . 114 LEU N . 16406 1 1143 . 1 1 115 115 LEU H H 1 9.273 0.020 . 1 . . . . 115 LEU H . 16406 1 1144 . 1 1 115 115 LEU HA H 1 4.436 0.020 . 1 . . . . 115 LEU HA . 16406 1 1145 . 1 1 115 115 LEU HB2 H 1 1.431 0.020 . 2 . . . . 115 LEU HB2 . 16406 1 1146 . 1 1 115 115 LEU HB3 H 1 1.431 0.020 . 2 . . . . 115 LEU HB3 . 16406 1 1147 . 1 1 115 115 LEU HD11 H 1 0.542 0.020 . 2 . . . . 115 LEU HD1 . 16406 1 1148 . 1 1 115 115 LEU HD12 H 1 0.542 0.020 . 2 . . . . 115 LEU HD1 . 16406 1 1149 . 1 1 115 115 LEU HD13 H 1 0.542 0.020 . 2 . . . . 115 LEU HD1 . 16406 1 1150 . 1 1 115 115 LEU HD21 H 1 0.859 0.020 . 2 . . . . 115 LEU HD2 . 16406 1 1151 . 1 1 115 115 LEU HD22 H 1 0.859 0.020 . 2 . . . . 115 LEU HD2 . 16406 1 1152 . 1 1 115 115 LEU HD23 H 1 0.859 0.020 . 2 . . . . 115 LEU HD2 . 16406 1 1153 . 1 1 115 115 LEU HG H 1 1.649 0.020 . 1 . . . . 115 LEU HG . 16406 1 1154 . 1 1 115 115 LEU CA C 13 55.872 0.400 . 1 . . . . 115 LEU CA . 16406 1 1155 . 1 1 115 115 LEU CB C 13 42.693 0.400 . 1 . . . . 115 LEU CB . 16406 1 1156 . 1 1 115 115 LEU CD1 C 13 25.890 0.400 . 1 . . . . 115 LEU CD1 . 16406 1 1157 . 1 1 115 115 LEU CG C 13 26.860 0.400 . 1 . . . . 115 LEU CG . 16406 1 1158 . 1 1 115 115 LEU N N 15 130.001 0.400 . 1 . . . . 115 LEU N . 16406 1 1159 . 1 1 116 116 ASP H H 1 7.744 0.020 . 1 . . . . 116 ASP H . 16406 1 1160 . 1 1 116 116 ASP HA H 1 4.661 0.020 . 1 . . . . 116 ASP HA . 16406 1 1161 . 1 1 116 116 ASP HB2 H 1 2.470 0.020 . 2 . . . . 116 ASP HB2 . 16406 1 1162 . 1 1 116 116 ASP HB3 H 1 2.518 0.020 . 2 . . . . 116 ASP HB3 . 16406 1 1163 . 1 1 116 116 ASP CA C 13 54.407 0.400 . 1 . . . . 116 ASP CA . 16406 1 1164 . 1 1 116 116 ASP CB C 13 43.956 0.400 . 1 . . . . 116 ASP CB . 16406 1 1165 . 1 1 116 116 ASP N N 15 115.299 0.400 . 1 . . . . 116 ASP N . 16406 1 1166 . 1 1 117 117 VAL H H 1 7.665 0.020 . 1 . . . . 117 VAL H . 16406 1 1167 . 1 1 117 117 VAL HA H 1 4.174 0.020 . 1 . . . . 117 VAL HA . 16406 1 1168 . 1 1 117 117 VAL HB H 1 2.088 0.020 . 1 . . . . 117 VAL HB . 16406 1 1169 . 1 1 117 117 VAL HG11 H 1 0.612 0.020 . 2 . . . . 117 VAL HG1 . 16406 1 1170 . 1 1 117 117 VAL HG12 H 1 0.612 0.020 . 2 . . . . 117 VAL HG1 . 16406 1 1171 . 1 1 117 117 VAL HG13 H 1 0.612 0.020 . 2 . . . . 117 VAL HG1 . 16406 1 1172 . 1 1 117 117 VAL HG21 H 1 0.645 0.020 . 2 . . . . 117 VAL HG2 . 16406 1 1173 . 1 1 117 117 VAL HG22 H 1 0.645 0.020 . 2 . . . . 117 VAL HG2 . 16406 1 1174 . 1 1 117 117 VAL HG23 H 1 0.645 0.020 . 2 . . . . 117 VAL HG2 . 16406 1 1175 . 1 1 117 117 VAL CA C 13 62.571 0.400 . 1 . . . . 117 VAL CA . 16406 1 1176 . 1 1 117 117 VAL CB C 13 33.688 0.400 . 1 . . . . 117 VAL CB . 16406 1 1177 . 1 1 117 117 VAL CG1 C 13 21.690 0.400 . 1 . . . . 117 VAL CG1 . 16406 1 1178 . 1 1 117 117 VAL CG2 C 13 21.109 0.400 . 1 . . . . 117 VAL CG2 . 16406 1 1179 . 1 1 117 117 VAL N N 15 121.591 0.400 . 1 . . . . 117 VAL N . 16406 1 stop_ save_