data_18003 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18003 _Entry.Title ; solution structure of apo-NmtR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-18 _Entry.Accession_date 2011-10-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 'Chul Won' Lee . . . 18003 2 David Giedroc . . . 18003 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18003 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA binding protein' . 18003 'Mycobacterium tuberculosis' . 18003 'Ni(II) binding protein' . 18003 'synmetric homodimer' . 18003 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 18003 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 482 18003 '15N chemical shifts' 216 18003 '1H chemical shifts' 771 18003 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 . . 2013-02-06 2011-10-18 update BMRB 'Entry citation updated' 18003 1 . . 2012-03-09 2011-10-18 original author 'Original release' 18003 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LKP 'BMRB Entry Tracking System' 18003 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18003 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22394357 _Citation.Full_citation . _Citation.Title 'Solution structure of Mycobacterium tuberculosis NmtR in the apo state: insights into Ni(II)-mediated allostery.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 51 _Citation.Journal_issue 12 _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 2619 _Citation.Page_last 2629 _Citation.Year 2012 _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 'Chul Won' Lee . . . 18003 1 2 Dhruva Chakravorty . K. . 18003 1 3 'Feng-Ming James' Chang . . . 18003 1 4 Hermes Reyes-Caballero . . . 18003 1 5 Yuzhen Ye . . . 18003 1 6 Kenneth Merz . M. Jr. 18003 1 7 David Giedroc . P. . 18003 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18003 _Assembly.ID 1 _Assembly.Name apo-NmtR _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 apo-NmtR_1 1 $apo-NmtR A . yes native no no . . . 18003 1 2 apo-NmtR_2 1 $apo-NmtR B . yes native no no . . . 18003 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_apo-NmtR _Entity.Sf_category entity _Entity.Sf_framecode apo-NmtR _Entity.Entry_ID 18003 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHGVEGRNRPSAPLDSQAAA QVASTLQALATPSRLMILTQ LRNGPLPVTDLAEAIGMEQS AVSHQLRVLRNLGLVVGDRA GRSIVYSLYDTHVAQLLDEA IYHSEHLHLGLSDRHPSAG ; _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 119 _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 12720.436 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18326 . entity_NmtR . . . . . 100.00 119 100.00 100.00 9.65e-77 . . . . 18003 1 2 no PDB 2LKP . "Solution Structure Of Apo-Nmtr" . . . . . 100.00 119 100.00 100.00 9.65e-77 . . . . 18003 1 3 no DBJ BAH28075 . "transcriptional regulatory protein [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 100.00 120 100.00 100.00 8.46e-77 . . . . 18003 1 4 no DBJ BAL67871 . "transcriptional regulator [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 100.00 120 100.00 100.00 8.46e-77 . . . . 18003 1 5 no DBJ BAQ07970 . "transcriptional regulator [Mycobacterium tuberculosis str. Kurono]" . . . . . 100.00 120 100.00 100.00 8.46e-77 . . . . 18003 1 6 no DBJ GAA43630 . "ArsR-family transcriptional regulatory protein [Mycobacterium tuberculosis NCGM2209]" . . . . . 89.08 106 99.06 100.00 5.57e-66 . . . . 18003 1 7 no EMBL CAL73793 . "Transcriptional regulatory protein (probably arsR-family) [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 100.00 120 100.00 100.00 8.46e-77 . . . . 18003 1 8 no EMBL CCC28822 . "transcriptional regulatory protein (probably ArsR-family) [Mycobacterium africanum GM041182]" . . . . . 100.00 120 100.00 100.00 8.46e-77 . . . . 18003 1 9 no EMBL CCC46095 . "transcriptional regulatory protein (probably ARSR-family) [Mycobacterium canettii CIPT 140010059]" . . . . . 100.00 120 100.00 100.00 8.46e-77 . . . . 18003 1 10 no EMBL CCC66360 . "Transcriptional regulatory protein (probably arsR-family) [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 100.00 120 100.00 100.00 8.46e-77 . . . . 18003 1 11 no EMBL CCE39167 . "unnamed protein product [Mycobacterium tuberculosis UT205]" . . . . . 100.00 120 100.00 100.00 8.46e-77 . . . . 18003 1 12 no GB AAK48216 . "transcriptional regulator, ArsR family [Mycobacterium tuberculosis CDC1551]" . . . . . 100.00 135 100.00 100.00 4.31e-77 . . . . 18003 1 13 no GB ABQ75571 . "ArsR family transcriptional regulator [Mycobacterium tuberculosis H37Ra]" . . . . . 100.00 120 100.00 100.00 8.46e-77 . . . . 18003 1 14 no GB ABR08101 . "transcriptional regulatory protein, arsR-family [Mycobacterium tuberculosis F11]" . . . . . 100.00 135 100.00 100.00 4.31e-77 . . . . 18003 1 15 no GB ACT26897 . "transcriptional regulator, arsR-family [Mycobacterium tuberculosis KZN 1435]" . . . . . 100.00 135 100.00 100.00 4.31e-77 . . . . 18003 1 16 no GB AEB05941 . "transcriptional regulator, arsR-family [Mycobacterium tuberculosis KZN 4207]" . . . . . 100.00 135 100.00 100.00 4.31e-77 . . . . 18003 1 17 no REF NP_218261 . "HTH-type transcriptional regulator NmtR [Mycobacterium tuberculosis H37Rv]" . . . . . 100.00 120 100.00 100.00 8.46e-77 . . . . 18003 1 18 no REF NP_857407 . "transcriptional regulatory protein ArsR-family [Mycobacterium bovis AF2122/97]" . . . . . 100.00 120 100.00 100.00 8.46e-77 . . . . 18003 1 19 no REF WP_003901716 . "MULTISPECIES: transcriptional regulator [Mycobacterium tuberculosis complex]" . . . . . 100.00 120 100.00 100.00 8.46e-77 . . . . 18003 1 20 no REF WP_003906203 . "ArsR family transcriptional regulator [Mycobacterium tuberculosis]" . . . . . 100.00 120 99.16 99.16 4.85e-76 . . . . 18003 1 21 no REF WP_031667682 . "ArsR family transcriptional regulator [Mycobacterium africanum]" . . . . . 100.00 120 99.16 99.16 2.41e-75 . . . . 18003 1 22 no SP O69711 . "RecName: Full=HTH-type transcriptional regulator NmtR" . . . . . 100.00 120 100.00 100.00 8.46e-77 . . . . 18003 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 2 GLY . 18003 1 2 3 HIS . 18003 1 3 4 GLY . 18003 1 4 5 VAL . 18003 1 5 6 GLU . 18003 1 6 7 GLY . 18003 1 7 8 ARG . 18003 1 8 9 ASN . 18003 1 9 10 ARG . 18003 1 10 11 PRO . 18003 1 11 12 SER . 18003 1 12 13 ALA . 18003 1 13 14 PRO . 18003 1 14 15 LEU . 18003 1 15 16 ASP . 18003 1 16 17 SER . 18003 1 17 18 GLN . 18003 1 18 19 ALA . 18003 1 19 20 ALA . 18003 1 20 21 ALA . 18003 1 21 22 GLN . 18003 1 22 23 VAL . 18003 1 23 24 ALA . 18003 1 24 25 SER . 18003 1 25 26 THR . 18003 1 26 27 LEU . 18003 1 27 28 GLN . 18003 1 28 29 ALA . 18003 1 29 30 LEU . 18003 1 30 31 ALA . 18003 1 31 32 THR . 18003 1 32 33 PRO . 18003 1 33 34 SER . 18003 1 34 35 ARG . 18003 1 35 36 LEU . 18003 1 36 37 MET . 18003 1 37 38 ILE . 18003 1 38 39 LEU . 18003 1 39 40 THR . 18003 1 40 41 GLN . 18003 1 41 42 LEU . 18003 1 42 43 ARG . 18003 1 43 44 ASN . 18003 1 44 45 GLY . 18003 1 45 46 PRO . 18003 1 46 47 LEU . 18003 1 47 48 PRO . 18003 1 48 49 VAL . 18003 1 49 50 THR . 18003 1 50 51 ASP . 18003 1 51 52 LEU . 18003 1 52 53 ALA . 18003 1 53 54 GLU . 18003 1 54 55 ALA . 18003 1 55 56 ILE . 18003 1 56 57 GLY . 18003 1 57 58 MET . 18003 1 58 59 GLU . 18003 1 59 60 GLN . 18003 1 60 61 SER . 18003 1 61 62 ALA . 18003 1 62 63 VAL . 18003 1 63 64 SER . 18003 1 64 65 HIS . 18003 1 65 66 GLN . 18003 1 66 67 LEU . 18003 1 67 68 ARG . 18003 1 68 69 VAL . 18003 1 69 70 LEU . 18003 1 70 71 ARG . 18003 1 71 72 ASN . 18003 1 72 73 LEU . 18003 1 73 74 GLY . 18003 1 74 75 LEU . 18003 1 75 76 VAL . 18003 1 76 77 VAL . 18003 1 77 78 GLY . 18003 1 78 79 ASP . 18003 1 79 80 ARG . 18003 1 80 81 ALA . 18003 1 81 82 GLY . 18003 1 82 83 ARG . 18003 1 83 84 SER . 18003 1 84 85 ILE . 18003 1 85 86 VAL . 18003 1 86 87 TYR . 18003 1 87 88 SER . 18003 1 88 89 LEU . 18003 1 89 90 TYR . 18003 1 90 91 ASP . 18003 1 91 92 THR . 18003 1 92 93 HIS . 18003 1 93 94 VAL . 18003 1 94 95 ALA . 18003 1 95 96 GLN . 18003 1 96 97 LEU . 18003 1 97 98 LEU . 18003 1 98 99 ASP . 18003 1 99 100 GLU . 18003 1 100 101 ALA . 18003 1 101 102 ILE . 18003 1 102 103 TYR . 18003 1 103 104 HIS . 18003 1 104 105 SER . 18003 1 105 106 GLU . 18003 1 106 107 HIS . 18003 1 107 108 LEU . 18003 1 108 109 HIS . 18003 1 109 110 LEU . 18003 1 110 111 GLY . 18003 1 111 112 LEU . 18003 1 112 113 SER . 18003 1 113 114 ASP . 18003 1 114 115 ARG . 18003 1 115 116 HIS . 18003 1 116 117 PRO . 18003 1 117 118 SER . 18003 1 118 119 ALA . 18003 1 119 120 GLY . 18003 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 18003 1 . HIS 2 2 18003 1 . GLY 3 3 18003 1 . VAL 4 4 18003 1 . GLU 5 5 18003 1 . GLY 6 6 18003 1 . ARG 7 7 18003 1 . ASN 8 8 18003 1 . ARG 9 9 18003 1 . PRO 10 10 18003 1 . SER 11 11 18003 1 . ALA 12 12 18003 1 . PRO 13 13 18003 1 . LEU 14 14 18003 1 . ASP 15 15 18003 1 . SER 16 16 18003 1 . GLN 17 17 18003 1 . ALA 18 18 18003 1 . ALA 19 19 18003 1 . ALA 20 20 18003 1 . GLN 21 21 18003 1 . VAL 22 22 18003 1 . ALA 23 23 18003 1 . SER 24 24 18003 1 . THR 25 25 18003 1 . LEU 26 26 18003 1 . GLN 27 27 18003 1 . ALA 28 28 18003 1 . LEU 29 29 18003 1 . ALA 30 30 18003 1 . THR 31 31 18003 1 . PRO 32 32 18003 1 . SER 33 33 18003 1 . ARG 34 34 18003 1 . LEU 35 35 18003 1 . MET 36 36 18003 1 . ILE 37 37 18003 1 . LEU 38 38 18003 1 . THR 39 39 18003 1 . GLN 40 40 18003 1 . LEU 41 41 18003 1 . ARG 42 42 18003 1 . ASN 43 43 18003 1 . GLY 44 44 18003 1 . PRO 45 45 18003 1 . LEU 46 46 18003 1 . PRO 47 47 18003 1 . VAL 48 48 18003 1 . THR 49 49 18003 1 . ASP 50 50 18003 1 . LEU 51 51 18003 1 . ALA 52 52 18003 1 . GLU 53 53 18003 1 . ALA 54 54 18003 1 . ILE 55 55 18003 1 . GLY 56 56 18003 1 . MET 57 57 18003 1 . GLU 58 58 18003 1 . GLN 59 59 18003 1 . SER 60 60 18003 1 . ALA 61 61 18003 1 . VAL 62 62 18003 1 . SER 63 63 18003 1 . HIS 64 64 18003 1 . GLN 65 65 18003 1 . LEU 66 66 18003 1 . ARG 67 67 18003 1 . VAL 68 68 18003 1 . LEU 69 69 18003 1 . ARG 70 70 18003 1 . ASN 71 71 18003 1 . LEU 72 72 18003 1 . GLY 73 73 18003 1 . LEU 74 74 18003 1 . VAL 75 75 18003 1 . VAL 76 76 18003 1 . GLY 77 77 18003 1 . ASP 78 78 18003 1 . ARG 79 79 18003 1 . ALA 80 80 18003 1 . GLY 81 81 18003 1 . ARG 82 82 18003 1 . SER 83 83 18003 1 . ILE 84 84 18003 1 . VAL 85 85 18003 1 . TYR 86 86 18003 1 . SER 87 87 18003 1 . LEU 88 88 18003 1 . TYR 89 89 18003 1 . ASP 90 90 18003 1 . THR 91 91 18003 1 . HIS 92 92 18003 1 . VAL 93 93 18003 1 . ALA 94 94 18003 1 . GLN 95 95 18003 1 . LEU 96 96 18003 1 . LEU 97 97 18003 1 . ASP 98 98 18003 1 . GLU 99 99 18003 1 . ALA 100 100 18003 1 . ILE 101 101 18003 1 . TYR 102 102 18003 1 . HIS 103 103 18003 1 . SER 104 104 18003 1 . GLU 105 105 18003 1 . HIS 106 106 18003 1 . LEU 107 107 18003 1 . HIS 108 108 18003 1 . LEU 109 109 18003 1 . GLY 110 110 18003 1 . LEU 111 111 18003 1 . SER 112 112 18003 1 . ASP 113 113 18003 1 . ARG 114 114 18003 1 . HIS 115 115 18003 1 . PRO 116 116 18003 1 . SER 117 117 18003 1 . ALA 118 118 18003 1 . GLY 119 119 18003 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 18003 _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 $apo-NmtR . 1773 organism . 'Mycobacterium tuberculosis' 'High GC Gram+' . . Bacteria . Mycobacterium tuberculosis . . . . . . . . . . . . . . . . . . . . . 18003 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 18003 _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 $apo-NmtR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET . . . . . . 18003 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18003 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 apo-NmtR '[U-13C; U-15N]' . . 1 $apo-NmtR . . . 0.5 1 mM . . . . 18003 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18003 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18003 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18003 _Sample.ID 2 _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 apo-NmtR '[U-13C; U-15N]' . . 1 $apo-NmtR . . . 0.5 1 mM . . . . 18003 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18003 2 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 18003 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 18003 1 pH 7.0 . pH 18003 1 pressure 1 . atm 18003 1 temperature 310 . K 18003 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18003 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18003 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18003 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18003 _Software.ID 2 _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' . . 18003 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18003 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18003 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18003 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18003 3 'peak picking' 18003 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18003 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18003 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18003 4 stop_ save_ save_xplor-nih _Software.Sf_category software _Software.Sf_framecode xplor-nih _Software.Entry_ID 18003 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18003 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18003 5 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 18003 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18003 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18003 _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 Varian INOVA . 600 . . . 18003 1 2 spectrometer_2 Varian INOVA . 800 . . . 18003 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 18003 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18003 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18003 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18003 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18003 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18003 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18003 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18003 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18003 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18003 1 10 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18003 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18003 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 18003 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18003 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18003 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18003 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 18003 _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' . . . 18003 1 2 '3D HNCO' . . . 18003 1 3 '3D HNCA' . . . 18003 1 4 '3D HNCACB' . . . 18003 1 5 '3D C(CO)NH' . . . 18003 1 6 '3D HCCH-TOCSY' . . . 18003 1 7 '3D 1H-15N TOCSY' . . . 18003 1 8 '2D 1H-15N HSQC' . . . 18003 1 9 '2D 1H-13C HSQC' . . . 18003 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 HIS HB2 H 1 3.1780 0.02 . 2 . . . A 3 HIS HB2 . 18003 1 2 . 1 1 2 2 HIS HB3 H 1 3.1780 0.02 . 2 . . . A 3 HIS HB3 . 18003 1 3 . 1 1 2 2 HIS C C 13 175.1760 0.40 . 1 . . . A 3 HIS C . 18003 1 4 . 1 1 2 2 HIS CA C 13 55.9000 0.40 . 1 . . . A 3 HIS CA . 18003 1 5 . 1 1 2 2 HIS CB C 13 30.0290 0.40 . 1 . . . A 3 HIS CB . 18003 1 6 . 1 1 3 3 GLY H H 1 8.5000 0.02 . 1 . . . A 4 GLY H . 18003 1 7 . 1 1 3 3 GLY HA2 H 1 3.9820 0.02 . 2 . . . A 4 GLY HA2 . 18003 1 8 . 1 1 3 3 GLY HA3 H 1 3.9890 0.02 . 2 . . . A 4 GLY HA3 . 18003 1 9 . 1 1 3 3 GLY C C 13 174.0680 0.40 . 1 . . . A 4 GLY C . 18003 1 10 . 1 1 3 3 GLY CA C 13 45.1410 0.40 . 1 . . . A 4 GLY CA . 18003 1 11 . 1 1 3 3 GLY N N 15 110.6130 0.40 . 1 . . . A 4 GLY N . 18003 1 12 . 1 1 4 4 VAL H H 1 8.0940 0.02 . 1 . . . A 5 VAL H . 18003 1 13 . 1 1 4 4 VAL HA H 1 4.1280 0.02 . 1 . . . A 5 VAL HA . 18003 1 14 . 1 1 4 4 VAL HB H 1 2.0770 0.02 . 1 . . . A 5 VAL HB . 18003 1 15 . 1 1 4 4 VAL HG11 H 1 0.9010 0.02 . 2 . . . A 5 VAL HG11 . 18003 1 16 . 1 1 4 4 VAL HG12 H 1 0.9010 0.02 . 2 . . . A 5 VAL HG12 . 18003 1 17 . 1 1 4 4 VAL HG13 H 1 0.9010 0.02 . 2 . . . A 5 VAL HG13 . 18003 1 18 . 1 1 4 4 VAL HG21 H 1 0.9010 0.02 . 2 . . . A 5 VAL HG21 . 18003 1 19 . 1 1 4 4 VAL HG22 H 1 0.9010 0.02 . 2 . . . A 5 VAL HG22 . 18003 1 20 . 1 1 4 4 VAL HG23 H 1 0.9010 0.02 . 2 . . . A 5 VAL HG23 . 18003 1 21 . 1 1 4 4 VAL C C 13 176.3610 0.40 . 1 . . . A 5 VAL C . 18003 1 22 . 1 1 4 4 VAL CA C 13 61.9870 0.40 . 1 . . . A 5 VAL CA . 18003 1 23 . 1 1 4 4 VAL CB C 13 32.6350 0.40 . 1 . . . A 5 VAL CB . 18003 1 24 . 1 1 4 4 VAL CG1 C 13 20.5980 0.40 . 2 . . . A 5 VAL CG1 . 18003 1 25 . 1 1 4 4 VAL CG2 C 13 20.5980 0.40 . 2 . . . A 5 VAL CG2 . 18003 1 26 . 1 1 4 4 VAL N N 15 119.3180 0.40 . 1 . . . A 5 VAL N . 18003 1 27 . 1 1 5 5 GLU H H 1 8.5450 0.02 . 1 . . . A 6 GLU H . 18003 1 28 . 1 1 5 5 GLU HA H 1 4.2880 0.02 . 1 . . . A 6 GLU HA . 18003 1 29 . 1 1 5 5 GLU HG2 H 1 2.2630 0.02 . 2 . . . A 6 GLU HG2 . 18003 1 30 . 1 1 5 5 GLU HG3 H 1 2.2630 0.02 . 2 . . . A 6 GLU HG3 . 18003 1 31 . 1 1 5 5 GLU C C 13 177.0120 0.40 . 1 . . . A 6 GLU C . 18003 1 32 . 1 1 5 5 GLU CA C 13 56.6990 0.40 . 1 . . . A 6 GLU CA . 18003 1 33 . 1 1 5 5 GLU CB C 13 30.0290 0.40 . 1 . . . A 6 GLU CB . 18003 1 34 . 1 1 5 5 GLU CG C 13 36.0070 0.40 . 1 . . . A 6 GLU CG . 18003 1 35 . 1 1 5 5 GLU N N 15 124.3690 0.40 . 1 . . . A 6 GLU N . 18003 1 36 . 1 1 6 6 GLY H H 1 8.3520 0.02 . 1 . . . A 7 GLY H . 18003 1 37 . 1 1 6 6 GLY HA2 H 1 3.9360 0.02 . 2 . . . A 7 GLY HA2 . 18003 1 38 . 1 1 6 6 GLY HA3 H 1 3.9360 0.02 . 2 . . . A 7 GLY HA3 . 18003 1 39 . 1 1 6 6 GLY C C 13 174.1170 0.40 . 1 . . . A 7 GLY C . 18003 1 40 . 1 1 6 6 GLY CA C 13 45.5680 0.40 . 1 . . . A 7 GLY CA . 18003 1 41 . 1 1 6 6 GLY N N 15 109.7470 0.40 . 1 . . . A 7 GLY N . 18003 1 42 . 1 1 7 7 ARG H H 1 8.0840 0.02 . 1 . . . A 8 ARG H . 18003 1 43 . 1 1 7 7 ARG HA H 1 4.3420 0.02 . 1 . . . A 8 ARG HA . 18003 1 44 . 1 1 7 7 ARG HB2 H 1 1.8010 0.02 . 2 . . . A 8 ARG HB2 . 18003 1 45 . 1 1 7 7 ARG HB3 H 1 1.8010 0.02 . 2 . . . A 8 ARG HB3 . 18003 1 46 . 1 1 7 7 ARG HG2 H 1 1.6260 0.02 . 2 . . . A 8 ARG HG2 . 18003 1 47 . 1 1 7 7 ARG HG3 H 1 1.6260 0.02 . 2 . . . A 8 ARG HG3 . 18003 1 48 . 1 1 7 7 ARG HD2 H 1 3.1590 0.02 . 2 . . . A 8 ARG HD2 . 18003 1 49 . 1 1 7 7 ARG HD3 H 1 3.1590 0.02 . 2 . . . A 8 ARG HD3 . 18003 1 50 . 1 1 7 7 ARG C C 13 176.0160 0.40 . 1 . . . A 8 ARG C . 18003 1 51 . 1 1 7 7 ARG CA C 13 55.8330 0.40 . 1 . . . A 8 ARG CA . 18003 1 52 . 1 1 7 7 ARG CB C 13 30.4440 0.40 . 1 . . . A 8 ARG CB . 18003 1 53 . 1 1 7 7 ARG CG C 13 26.5270 0.40 . 1 . . . A 8 ARG CG . 18003 1 54 . 1 1 7 7 ARG CD C 13 43.2340 0.40 . 1 . . . A 8 ARG CD . 18003 1 55 . 1 1 7 7 ARG N N 15 120.0590 0.40 . 1 . . . A 8 ARG N . 18003 1 56 . 1 1 8 8 ASN H H 1 8.4110 0.02 . 1 . . . A 9 ASN H . 18003 1 57 . 1 1 8 8 ASN HA H 1 4.3320 0.02 . 1 . . . A 9 ASN HA . 18003 1 58 . 1 1 8 8 ASN HB2 H 1 2.7460 0.02 . 2 . . . A 9 ASN HB2 . 18003 1 59 . 1 1 8 8 ASN HB3 H 1 2.7460 0.02 . 2 . . . A 9 ASN HB3 . 18003 1 60 . 1 1 8 8 ASN C C 13 174.6670 0.40 . 1 . . . A 9 ASN C . 18003 1 61 . 1 1 8 8 ASN CA C 13 53.4410 0.40 . 1 . . . A 9 ASN CA . 18003 1 62 . 1 1 8 8 ASN CB C 13 38.4800 0.40 . 1 . . . A 9 ASN CB . 18003 1 63 . 1 1 8 8 ASN N N 15 119.3790 0.40 . 1 . . . A 9 ASN N . 18003 1 64 . 1 1 9 9 ARG H H 1 8.1380 0.02 . 1 . . . A 10 ARG H . 18003 1 65 . 1 1 9 9 ARG HA H 1 4.6490 0.02 . 1 . . . A 10 ARG HA . 18003 1 66 . 1 1 9 9 ARG HB2 H 1 1.8190 0.02 . 2 . . . A 10 ARG HB2 . 18003 1 67 . 1 1 9 9 ARG HB3 H 1 1.8190 0.02 . 2 . . . A 10 ARG HB3 . 18003 1 68 . 1 1 9 9 ARG HG2 H 1 1.6880 0.02 . 2 . . . A 10 ARG HG2 . 18003 1 69 . 1 1 9 9 ARG HG3 H 1 1.6880 0.02 . 2 . . . A 10 ARG HG3 . 18003 1 70 . 1 1 9 9 ARG HD2 H 1 3.1000 0.02 . 2 . . . A 10 ARG HD2 . 18003 1 71 . 1 1 9 9 ARG HD3 H 1 3.1000 0.02 . 2 . . . A 10 ARG HD3 . 18003 1 72 . 1 1 9 9 ARG CA C 13 53.1470 0.40 . 1 . . . A 10 ARG CA . 18003 1 73 . 1 1 9 9 ARG CB C 13 30.1970 0.40 . 1 . . . A 10 ARG CB . 18003 1 74 . 1 1 9 9 ARG N N 15 121.7000 0.40 . 1 . . . A 10 ARG N . 18003 1 75 . 1 1 10 10 PRO HA H 1 4.4430 0.02 . 1 . . . A 11 PRO HA . 18003 1 76 . 1 1 10 10 PRO HB2 H 1 2.2470 0.02 . 2 . . . A 11 PRO HB2 . 18003 1 77 . 1 1 10 10 PRO HB3 H 1 2.2470 0.02 . 2 . . . A 11 PRO HB3 . 18003 1 78 . 1 1 10 10 PRO HG2 H 1 1.9640 0.02 . 2 . . . A 11 PRO HG2 . 18003 1 79 . 1 1 10 10 PRO HG3 H 1 1.9640 0.02 . 2 . . . A 11 PRO HG3 . 18003 1 80 . 1 1 10 10 PRO HD2 H 1 3.6700 0.02 . 2 . . . A 11 PRO HD2 . 18003 1 81 . 1 1 10 10 PRO HD3 H 1 3.6700 0.02 . 2 . . . A 11 PRO HD3 . 18003 1 82 . 1 1 10 10 PRO C C 13 176.8150 0.40 . 1 . . . A 11 PRO C . 18003 1 83 . 1 1 10 10 PRO CA C 13 63.1770 0.40 . 1 . . . A 11 PRO CA . 18003 1 84 . 1 1 10 10 PRO CB C 13 31.8200 0.40 . 1 . . . A 11 PRO CB . 18003 1 85 . 1 1 10 10 PRO CG C 13 27.0520 0.40 . 1 . . . A 11 PRO CG . 18003 1 86 . 1 1 10 10 PRO CD C 13 50.2680 0.40 . 1 . . . A 11 PRO CD . 18003 1 87 . 1 1 11 11 SER H H 1 8.3250 0.02 . 1 . . . A 12 SER H . 18003 1 88 . 1 1 11 11 SER HA H 1 4.4180 0.02 . 1 . . . A 12 SER HA . 18003 1 89 . 1 1 11 11 SER HB2 H 1 3.8030 0.02 . 2 . . . A 12 SER HB2 . 18003 1 90 . 1 1 11 11 SER HB3 H 1 3.8030 0.02 . 2 . . . A 12 SER HB3 . 18003 1 91 . 1 1 11 11 SER C C 13 173.7020 0.40 . 1 . . . A 12 SER C . 18003 1 92 . 1 1 11 11 SER CA C 13 58.0310 0.40 . 1 . . . A 12 SER CA . 18003 1 93 . 1 1 11 11 SER CB C 13 64.0320 0.40 . 1 . . . A 12 SER CB . 18003 1 94 . 1 1 11 11 SER N N 15 116.2910 0.40 . 1 . . . A 12 SER N . 18003 1 95 . 1 1 12 12 ALA H H 1 8.1660 0.02 . 1 . . . A 13 ALA H . 18003 1 96 . 1 1 12 12 ALA HA H 1 4.3880 0.02 . 1 . . . A 13 ALA HA . 18003 1 97 . 1 1 12 12 ALA HB1 H 1 1.3430 0.02 . 1 . . . A 13 ALA HB1 . 18003 1 98 . 1 1 12 12 ALA HB2 H 1 1.3430 0.02 . 1 . . . A 13 ALA HB2 . 18003 1 99 . 1 1 12 12 ALA HB3 H 1 1.3430 0.02 . 1 . . . A 13 ALA HB3 . 18003 1 100 . 1 1 12 12 ALA CA C 13 50.4580 0.40 . 1 . . . A 13 ALA CA . 18003 1 101 . 1 1 12 12 ALA CB C 13 18.2570 0.40 . 1 . . . A 13 ALA CB . 18003 1 102 . 1 1 12 12 ALA N N 15 126.8620 0.40 . 1 . . . A 13 ALA N . 18003 1 103 . 1 1 13 13 PRO HB2 H 1 1.9540 0.02 . 2 . . . A 14 PRO HB2 . 18003 1 104 . 1 1 13 13 PRO HB3 H 1 1.9540 0.02 . 2 . . . A 14 PRO HB3 . 18003 1 105 . 1 1 13 13 PRO HG2 H 1 1.9540 0.02 . 2 . . . A 14 PRO HG2 . 18003 1 106 . 1 1 13 13 PRO HG3 H 1 1.9540 0.02 . 2 . . . A 14 PRO HG3 . 18003 1 107 . 1 1 13 13 PRO C C 13 176.3680 0.40 . 1 . . . A 14 PRO C . 18003 1 108 . 1 1 13 13 PRO CA C 13 62.9370 0.40 . 1 . . . A 14 PRO CA . 18003 1 109 . 1 1 13 13 PRO CB C 13 32.0220 0.40 . 1 . . . A 14 PRO CB . 18003 1 110 . 1 1 13 13 PRO CG C 13 27.5100 0.40 . 1 . . . A 14 PRO CG . 18003 1 111 . 1 1 13 13 PRO CD C 13 50.6690 0.40 . 1 . . . A 14 PRO CD . 18003 1 112 . 1 1 14 14 LEU H H 1 7.8750 0.02 . 1 . . . A 15 LEU H . 18003 1 113 . 1 1 14 14 LEU HA H 1 4.2580 0.02 . 1 . . . A 15 LEU HA . 18003 1 114 . 1 1 14 14 LEU HB2 H 1 1.6290 0.02 . 2 . . . A 15 LEU HB2 . 18003 1 115 . 1 1 14 14 LEU HB3 H 1 1.6290 0.02 . 2 . . . A 15 LEU HB3 . 18003 1 116 . 1 1 14 14 LEU HG H 1 1.4530 0.02 . 1 . . . A 15 LEU HG . 18003 1 117 . 1 1 14 14 LEU HD11 H 1 0.8000 0.02 . 2 . . . A 15 LEU HD11 . 18003 1 118 . 1 1 14 14 LEU HD12 H 1 0.8000 0.02 . 2 . . . A 15 LEU HD12 . 18003 1 119 . 1 1 14 14 LEU HD13 H 1 0.8000 0.02 . 2 . . . A 15 LEU HD13 . 18003 1 120 . 1 1 14 14 LEU HD21 H 1 0.8000 0.02 . 2 . . . A 15 LEU HD21 . 18003 1 121 . 1 1 14 14 LEU HD22 H 1 0.8000 0.02 . 2 . . . A 15 LEU HD22 . 18003 1 122 . 1 1 14 14 LEU HD23 H 1 0.8000 0.02 . 2 . . . A 15 LEU HD23 . 18003 1 123 . 1 1 14 14 LEU C C 13 176.1240 0.40 . 1 . . . A 15 LEU C . 18003 1 124 . 1 1 14 14 LEU CA C 13 54.5270 0.40 . 1 . . . A 15 LEU CA . 18003 1 125 . 1 1 14 14 LEU CB C 13 43.4180 0.40 . 1 . . . A 15 LEU CB . 18003 1 126 . 1 1 14 14 LEU CG C 13 24.9660 0.40 . 1 . . . A 15 LEU CG . 18003 1 127 . 1 1 14 14 LEU CD1 C 13 24.9660 0.40 . 2 . . . A 15 LEU CD1 . 18003 1 128 . 1 1 14 14 LEU CD2 C 13 24.9660 0.40 . 2 . . . A 15 LEU CD2 . 18003 1 129 . 1 1 14 14 LEU N N 15 120.9690 0.40 . 1 . . . A 15 LEU N . 18003 1 130 . 1 1 15 15 ASP H H 1 7.8500 0.02 . 1 . . . A 16 ASP H . 18003 1 131 . 1 1 15 15 ASP HA H 1 4.5930 0.02 . 1 . . . A 16 ASP HA . 18003 1 132 . 1 1 15 15 ASP HB2 H 1 3.1180 0.02 . 2 . . . A 16 ASP HB2 . 18003 1 133 . 1 1 15 15 ASP HB3 H 1 2.7140 0.02 . 2 . . . A 16 ASP HB3 . 18003 1 134 . 1 1 15 15 ASP C C 13 176.2080 0.40 . 1 . . . A 16 ASP C . 18003 1 135 . 1 1 15 15 ASP CA C 13 52.4680 0.40 . 1 . . . A 16 ASP CA . 18003 1 136 . 1 1 15 15 ASP CB C 13 41.6290 0.40 . 1 . . . A 16 ASP CB . 18003 1 137 . 1 1 15 15 ASP N N 15 121.7800 0.40 . 1 . . . A 16 ASP N . 18003 1 138 . 1 1 16 16 SER H H 1 8.6580 0.02 . 1 . . . A 17 SER H . 18003 1 139 . 1 1 16 16 SER HA H 1 4.1200 0.02 . 1 . . . A 17 SER HA . 18003 1 140 . 1 1 16 16 SER HB2 H 1 3.9400 0.02 . 2 . . . A 17 SER HB2 . 18003 1 141 . 1 1 16 16 SER HB3 H 1 3.9400 0.02 . 2 . . . A 17 SER HB3 . 18003 1 142 . 1 1 16 16 SER C C 13 177.2070 0.40 . 1 . . . A 17 SER C . 18003 1 143 . 1 1 16 16 SER CA C 13 62.3220 0.40 . 1 . . . A 17 SER CA . 18003 1 144 . 1 1 16 16 SER N N 15 114.4350 0.40 . 1 . . . A 17 SER N . 18003 1 145 . 1 1 17 17 GLN H H 1 8.1400 0.02 . 1 . . . A 18 GLN H . 18003 1 146 . 1 1 17 17 GLN HA H 1 4.1970 0.02 . 1 . . . A 18 GLN HA . 18003 1 147 . 1 1 17 17 GLN HB2 H 1 2.1300 0.02 . 2 . . . A 18 GLN HB2 . 18003 1 148 . 1 1 17 17 GLN HB3 H 1 2.1300 0.02 . 2 . . . A 18 GLN HB3 . 18003 1 149 . 1 1 17 17 GLN HG2 H 1 2.3770 0.02 . 2 . . . A 18 GLN HG2 . 18003 1 150 . 1 1 17 17 GLN HG3 H 1 2.3770 0.02 . 2 . . . A 18 GLN HG3 . 18003 1 151 . 1 1 17 17 GLN C C 13 178.7150 0.40 . 1 . . . A 18 GLN C . 18003 1 152 . 1 1 17 17 GLN CA C 13 58.1130 0.40 . 1 . . . A 18 GLN CA . 18003 1 153 . 1 1 17 17 GLN CB C 13 28.0400 0.40 . 1 . . . A 18 GLN CB . 18003 1 154 . 1 1 17 17 GLN N N 15 122.4030 0.40 . 1 . . . A 18 GLN N . 18003 1 155 . 1 1 18 18 ALA H H 1 8.4550 0.02 . 1 . . . A 19 ALA H . 18003 1 156 . 1 1 18 18 ALA HA H 1 4.1760 0.02 . 1 . . . A 19 ALA HA . 18003 1 157 . 1 1 18 18 ALA HB1 H 1 1.4920 0.02 . 1 . . . A 19 ALA HB1 . 18003 1 158 . 1 1 18 18 ALA HB2 H 1 1.4920 0.02 . 1 . . . A 19 ALA HB2 . 18003 1 159 . 1 1 18 18 ALA HB3 H 1 1.4920 0.02 . 1 . . . A 19 ALA HB3 . 18003 1 160 . 1 1 18 18 ALA C C 13 180.6160 0.40 . 1 . . . A 19 ALA C . 18003 1 161 . 1 1 18 18 ALA CA C 13 54.6050 0.40 . 1 . . . A 19 ALA CA . 18003 1 162 . 1 1 18 18 ALA CB C 13 19.0280 0.40 . 1 . . . A 19 ALA CB . 18003 1 163 . 1 1 18 18 ALA N N 15 124.7430 0.40 . 1 . . . A 19 ALA N . 18003 1 164 . 1 1 19 19 ALA H H 1 8.9930 0.02 . 1 . . . A 20 ALA H . 18003 1 165 . 1 1 19 19 ALA HA H 1 4.1790 0.02 . 1 . . . A 20 ALA HA . 18003 1 166 . 1 1 19 19 ALA HB1 H 1 1.4700 0.02 . 1 . . . A 20 ALA HB1 . 18003 1 167 . 1 1 19 19 ALA HB2 H 1 1.4700 0.02 . 1 . . . A 20 ALA HB2 . 18003 1 168 . 1 1 19 19 ALA HB3 H 1 1.4700 0.02 . 1 . . . A 20 ALA HB3 . 18003 1 169 . 1 1 19 19 ALA C C 13 179.2390 0.40 . 1 . . . A 20 ALA C . 18003 1 170 . 1 1 19 19 ALA CA C 13 55.2710 0.40 . 1 . . . A 20 ALA CA . 18003 1 171 . 1 1 19 19 ALA CB C 13 18.1920 0.40 . 1 . . . A 20 ALA CB . 18003 1 172 . 1 1 19 19 ALA N N 15 119.0890 0.40 . 1 . . . A 20 ALA N . 18003 1 173 . 1 1 20 20 ALA H H 1 7.7240 0.02 . 1 . . . A 21 ALA H . 18003 1 174 . 1 1 20 20 ALA HA H 1 4.0600 0.02 . 1 . . . A 21 ALA HA . 18003 1 175 . 1 1 20 20 ALA HB1 H 1 1.5740 0.02 . 1 . . . A 21 ALA HB1 . 18003 1 176 . 1 1 20 20 ALA HB2 H 1 1.5740 0.02 . 1 . . . A 21 ALA HB2 . 18003 1 177 . 1 1 20 20 ALA HB3 H 1 1.5740 0.02 . 1 . . . A 21 ALA HB3 . 18003 1 178 . 1 1 20 20 ALA C C 13 180.2300 0.40 . 1 . . . A 21 ALA C . 18003 1 179 . 1 1 20 20 ALA CA C 13 55.1430 0.40 . 1 . . . A 21 ALA CA . 18003 1 180 . 1 1 20 20 ALA CB C 13 18.0280 0.40 . 1 . . . A 21 ALA CB . 18003 1 181 . 1 1 20 20 ALA N N 15 119.2260 0.40 . 1 . . . A 21 ALA N . 18003 1 182 . 1 1 21 21 GLN H H 1 7.6380 0.02 . 1 . . . A 22 GLN H . 18003 1 183 . 1 1 21 21 GLN HA H 1 4.1290 0.02 . 1 . . . A 22 GLN HA . 18003 1 184 . 1 1 21 21 GLN HB2 H 1 2.0700 0.02 . 2 . . . A 22 GLN HB2 . 18003 1 185 . 1 1 21 21 GLN HB3 H 1 2.0700 0.02 . 2 . . . A 22 GLN HB3 . 18003 1 186 . 1 1 21 21 GLN HG2 H 1 2.3770 0.02 . 2 . . . A 22 GLN HG2 . 18003 1 187 . 1 1 21 21 GLN HG3 H 1 2.3770 0.02 . 2 . . . A 22 GLN HG3 . 18003 1 188 . 1 1 21 21 GLN C C 13 179.3190 0.40 . 1 . . . A 22 GLN C . 18003 1 189 . 1 1 21 21 GLN CA C 13 58.7620 0.40 . 1 . . . A 22 GLN CA . 18003 1 190 . 1 1 21 21 GLN CB C 13 28.0290 0.40 . 1 . . . A 22 GLN CB . 18003 1 191 . 1 1 21 21 GLN CG C 13 33.5520 0.40 . 1 . . . A 22 GLN CG . 18003 1 192 . 1 1 21 21 GLN N N 15 119.3100 0.40 . 1 . . . A 22 GLN N . 18003 1 193 . 1 1 22 22 VAL H H 1 8.4420 0.02 . 1 . . . A 23 VAL H . 18003 1 194 . 1 1 22 22 VAL HA H 1 3.9660 0.02 . 1 . . . A 23 VAL HA . 18003 1 195 . 1 1 22 22 VAL HB H 1 1.9420 0.02 . 1 . . . A 23 VAL HB . 18003 1 196 . 1 1 22 22 VAL HG11 H 1 1.1090 0.02 . 2 . . . A 23 VAL HG11 . 18003 1 197 . 1 1 22 22 VAL HG12 H 1 1.1090 0.02 . 2 . . . A 23 VAL HG12 . 18003 1 198 . 1 1 22 22 VAL HG13 H 1 1.1090 0.02 . 2 . . . A 23 VAL HG13 . 18003 1 199 . 1 1 22 22 VAL HG21 H 1 0.7570 0.02 . 2 . . . A 23 VAL HG21 . 18003 1 200 . 1 1 22 22 VAL HG22 H 1 0.7570 0.02 . 2 . . . A 23 VAL HG22 . 18003 1 201 . 1 1 22 22 VAL HG23 H 1 0.7570 0.02 . 2 . . . A 23 VAL HG23 . 18003 1 202 . 1 1 22 22 VAL C C 13 178.0260 0.40 . 1 . . . A 23 VAL C . 18003 1 203 . 1 1 22 22 VAL CA C 13 66.1420 0.40 . 1 . . . A 23 VAL CA . 18003 1 204 . 1 1 22 22 VAL CB C 13 30.9660 0.40 . 1 . . . A 23 VAL CB . 18003 1 205 . 1 1 22 22 VAL CG1 C 13 22.2050 0.40 . 2 . . . A 23 VAL CG1 . 18003 1 206 . 1 1 22 22 VAL CG2 C 13 22.2050 0.40 . 2 . . . A 23 VAL CG2 . 18003 1 207 . 1 1 22 22 VAL N N 15 121.5650 0.40 . 1 . . . A 23 VAL N . 18003 1 208 . 1 1 23 23 ALA H H 1 8.4950 0.02 . 1 . . . A 24 ALA H . 18003 1 209 . 1 1 23 23 ALA HA H 1 4.0960 0.02 . 1 . . . A 24 ALA HA . 18003 1 210 . 1 1 23 23 ALA HB1 H 1 1.2510 0.02 . 1 . . . A 24 ALA HB1 . 18003 1 211 . 1 1 23 23 ALA HB2 H 1 1.2510 0.02 . 1 . . . A 24 ALA HB2 . 18003 1 212 . 1 1 23 23 ALA HB3 H 1 1.2510 0.02 . 1 . . . A 24 ALA HB3 . 18003 1 213 . 1 1 23 23 ALA C C 13 178.7580 0.40 . 1 . . . A 24 ALA C . 18003 1 214 . 1 1 23 23 ALA CA C 13 55.9150 0.40 . 1 . . . A 24 ALA CA . 18003 1 215 . 1 1 23 23 ALA CB C 13 16.6500 0.40 . 1 . . . A 24 ALA CB . 18003 1 216 . 1 1 23 23 ALA N N 15 121.4000 0.40 . 1 . . . A 24 ALA N . 18003 1 217 . 1 1 24 24 SER H H 1 7.9360 0.02 . 1 . . . A 25 SER H . 18003 1 218 . 1 1 24 24 SER HA H 1 4.0930 0.02 . 1 . . . A 25 SER HA . 18003 1 219 . 1 1 24 24 SER HB2 H 1 4.0930 0.02 . 2 . . . A 25 SER HB2 . 18003 1 220 . 1 1 24 24 SER HB3 H 1 4.0930 0.02 . 2 . . . A 25 SER HB3 . 18003 1 221 . 1 1 24 24 SER C C 13 177.2710 0.40 . 1 . . . A 25 SER C . 18003 1 222 . 1 1 24 24 SER CA C 13 62.1660 0.40 . 1 . . . A 25 SER CA . 18003 1 223 . 1 1 24 24 SER CB C 13 63.0320 0.40 . 1 . . . A 25 SER CB . 18003 1 224 . 1 1 24 24 SER N N 15 112.1380 0.40 . 1 . . . A 25 SER N . 18003 1 225 . 1 1 25 25 THR H H 1 7.7750 0.02 . 1 . . . A 26 THR H . 18003 1 226 . 1 1 25 25 THR HA H 1 4.3800 0.02 . 1 . . . A 26 THR HA . 18003 1 227 . 1 1 25 25 THR HB H 1 4.0100 0.02 . 1 . . . A 26 THR HB . 18003 1 228 . 1 1 25 25 THR HG21 H 1 1.1920 0.02 . 1 . . . A 26 THR HG21 . 18003 1 229 . 1 1 25 25 THR HG22 H 1 1.1920 0.02 . 1 . . . A 26 THR HG22 . 18003 1 230 . 1 1 25 25 THR HG23 H 1 1.1920 0.02 . 1 . . . A 26 THR HG23 . 18003 1 231 . 1 1 25 25 THR C C 13 175.4560 0.40 . 1 . . . A 26 THR C . 18003 1 232 . 1 1 25 25 THR CA C 13 67.1290 0.40 . 1 . . . A 26 THR CA . 18003 1 233 . 1 1 25 25 THR CB C 13 68.8000 0.40 . 1 . . . A 26 THR CB . 18003 1 234 . 1 1 25 25 THR CG2 C 13 18.5290 0.40 . 1 . . . A 26 THR CG2 . 18003 1 235 . 1 1 25 25 THR N N 15 119.7010 0.40 . 1 . . . A 26 THR N . 18003 1 236 . 1 1 26 26 LEU H H 1 8.0060 0.02 . 1 . . . A 27 LEU H . 18003 1 237 . 1 1 26 26 LEU HA H 1 3.5630 0.02 . 1 . . . A 27 LEU HA . 18003 1 238 . 1 1 26 26 LEU HB2 H 1 1.9430 0.02 . 2 . . . A 27 LEU HB2 . 18003 1 239 . 1 1 26 26 LEU HB3 H 1 1.9430 0.02 . 2 . . . A 27 LEU HB3 . 18003 1 240 . 1 1 26 26 LEU HG H 1 1.2170 0.02 . 1 . . . A 27 LEU HG . 18003 1 241 . 1 1 26 26 LEU HD11 H 1 0.7420 0.02 . 2 . . . A 27 LEU HD11 . 18003 1 242 . 1 1 26 26 LEU HD12 H 1 0.7420 0.02 . 2 . . . A 27 LEU HD12 . 18003 1 243 . 1 1 26 26 LEU HD13 H 1 0.7420 0.02 . 2 . . . A 27 LEU HD13 . 18003 1 244 . 1 1 26 26 LEU HD21 H 1 0.7420 0.02 . 2 . . . A 27 LEU HD21 . 18003 1 245 . 1 1 26 26 LEU HD22 H 1 0.7420 0.02 . 2 . . . A 27 LEU HD22 . 18003 1 246 . 1 1 26 26 LEU HD23 H 1 0.7420 0.02 . 2 . . . A 27 LEU HD23 . 18003 1 247 . 1 1 26 26 LEU C C 13 178.3900 0.40 . 1 . . . A 27 LEU C . 18003 1 248 . 1 1 26 26 LEU CA C 13 57.6690 0.40 . 1 . . . A 27 LEU CA . 18003 1 249 . 1 1 26 26 LEU CB C 13 42.0300 0.40 . 1 . . . A 27 LEU CB . 18003 1 250 . 1 1 26 26 LEU N N 15 119.2700 0.40 . 1 . . . A 27 LEU N . 18003 1 251 . 1 1 27 27 GLN H H 1 8.4850 0.02 . 1 . . . A 28 GLN H . 18003 1 252 . 1 1 27 27 GLN HA H 1 3.8040 0.02 . 1 . . . A 28 GLN HA . 18003 1 253 . 1 1 27 27 GLN HB2 H 1 2.1330 0.02 . 2 . . . A 28 GLN HB2 . 18003 1 254 . 1 1 27 27 GLN HB3 H 1 2.1330 0.02 . 2 . . . A 28 GLN HB3 . 18003 1 255 . 1 1 27 27 GLN HG2 H 1 2.5880 0.02 . 2 . . . A 28 GLN HG2 . 18003 1 256 . 1 1 27 27 GLN HG3 H 1 2.5880 0.02 . 2 . . . A 28 GLN HG3 . 18003 1 257 . 1 1 27 27 GLN C C 13 178.6570 0.40 . 1 . . . A 28 GLN C . 18003 1 258 . 1 1 27 27 GLN CA C 13 58.7120 0.40 . 1 . . . A 28 GLN CA . 18003 1 259 . 1 1 27 27 GLN CB C 13 28.0290 0.40 . 1 . . . A 28 GLN CB . 18003 1 260 . 1 1 27 27 GLN CG C 13 33.7650 0.40 . 1 . . . A 28 GLN CG . 18003 1 261 . 1 1 27 27 GLN N N 15 115.8430 0.40 . 1 . . . A 28 GLN N . 18003 1 262 . 1 1 28 28 ALA H H 1 7.4320 0.02 . 1 . . . A 29 ALA H . 18003 1 263 . 1 1 28 28 ALA HA H 1 4.0080 0.02 . 1 . . . A 29 ALA HA . 18003 1 264 . 1 1 28 28 ALA HB1 H 1 1.4650 0.02 . 1 . . . A 29 ALA HB1 . 18003 1 265 . 1 1 28 28 ALA HB2 H 1 1.4650 0.02 . 1 . . . A 29 ALA HB2 . 18003 1 266 . 1 1 28 28 ALA HB3 H 1 1.4650 0.02 . 1 . . . A 29 ALA HB3 . 18003 1 267 . 1 1 28 28 ALA C C 13 178.2590 0.40 . 1 . . . A 29 ALA C . 18003 1 268 . 1 1 28 28 ALA CA C 13 53.9620 0.40 . 1 . . . A 29 ALA CA . 18003 1 269 . 1 1 28 28 ALA CB C 13 18.7380 0.40 . 1 . . . A 29 ALA CB . 18003 1 270 . 1 1 28 28 ALA N N 15 118.7790 0.40 . 1 . . . A 29 ALA N . 18003 1 271 . 1 1 29 29 LEU H H 1 7.3110 0.02 . 1 . . . A 30 LEU H . 18003 1 272 . 1 1 29 29 LEU HA H 1 3.9960 0.02 . 1 . . . A 30 LEU HA . 18003 1 273 . 1 1 29 29 LEU HB2 H 1 1.5830 0.02 . 2 . . . A 30 LEU HB2 . 18003 1 274 . 1 1 29 29 LEU HB3 H 1 1.9520 0.02 . 2 . . . A 30 LEU HB3 . 18003 1 275 . 1 1 29 29 LEU HG H 1 1.5830 0.02 . 1 . . . A 30 LEU HG . 18003 1 276 . 1 1 29 29 LEU HD11 H 1 0.6770 0.02 . 2 . . . A 30 LEU HD11 . 18003 1 277 . 1 1 29 29 LEU HD12 H 1 0.6770 0.02 . 2 . . . A 30 LEU HD12 . 18003 1 278 . 1 1 29 29 LEU HD13 H 1 0.6770 0.02 . 2 . . . A 30 LEU HD13 . 18003 1 279 . 1 1 29 29 LEU HD21 H 1 0.6770 0.02 . 2 . . . A 30 LEU HD21 . 18003 1 280 . 1 1 29 29 LEU HD22 H 1 0.6770 0.02 . 2 . . . A 30 LEU HD22 . 18003 1 281 . 1 1 29 29 LEU HD23 H 1 0.6770 0.02 . 2 . . . A 30 LEU HD23 . 18003 1 282 . 1 1 29 29 LEU C C 13 175.9240 0.40 . 1 . . . A 30 LEU C . 18003 1 283 . 1 1 29 29 LEU CA C 13 55.5640 0.40 . 1 . . . A 30 LEU CA . 18003 1 284 . 1 1 29 29 LEU CB C 13 42.2660 0.40 . 1 . . . A 30 LEU CB . 18003 1 285 . 1 1 29 29 LEU CG C 13 25.5510 0.40 . 1 . . . A 30 LEU CG . 18003 1 286 . 1 1 29 29 LEU CD1 C 13 25.5510 0.40 . 2 . . . A 30 LEU CD1 . 18003 1 287 . 1 1 29 29 LEU CD2 C 13 25.5510 0.40 . 2 . . . A 30 LEU CD2 . 18003 1 288 . 1 1 29 29 LEU N N 15 113.4420 0.40 . 1 . . . A 30 LEU N . 18003 1 289 . 1 1 30 30 ALA H H 1 7.2230 0.02 . 1 . . . A 31 ALA H . 18003 1 290 . 1 1 30 30 ALA HA H 1 4.1720 0.02 . 1 . . . A 31 ALA HA . 18003 1 291 . 1 1 30 30 ALA HB1 H 1 1.4670 0.02 . 1 . . . A 31 ALA HB1 . 18003 1 292 . 1 1 30 30 ALA HB2 H 1 1.4670 0.02 . 1 . . . A 31 ALA HB2 . 18003 1 293 . 1 1 30 30 ALA HB3 H 1 1.4670 0.02 . 1 . . . A 31 ALA HB3 . 18003 1 294 . 1 1 30 30 ALA C C 13 176.3160 0.40 . 1 . . . A 31 ALA C . 18003 1 295 . 1 1 30 30 ALA CA C 13 51.6560 0.40 . 1 . . . A 31 ALA CA . 18003 1 296 . 1 1 30 30 ALA CB C 13 18.0770 0.40 . 1 . . . A 31 ALA CB . 18003 1 297 . 1 1 30 30 ALA N N 15 119.5630 0.40 . 1 . . . A 31 ALA N . 18003 1 298 . 1 1 31 31 THR H H 1 8.3990 0.02 . 1 . . . A 32 THR H . 18003 1 299 . 1 1 31 31 THR HA H 1 4.9500 0.02 . 1 . . . A 32 THR HA . 18003 1 300 . 1 1 31 31 THR HG21 H 1 1.1370 0.02 . 1 . . . A 32 THR HG21 . 18003 1 301 . 1 1 31 31 THR HG22 H 1 1.1370 0.02 . 1 . . . A 32 THR HG22 . 18003 1 302 . 1 1 31 31 THR HG23 H 1 1.1370 0.02 . 1 . . . A 32 THR HG23 . 18003 1 303 . 1 1 31 31 THR CA C 13 58.1290 0.40 . 1 . . . A 32 THR CA . 18003 1 304 . 1 1 31 31 THR CB C 13 69.0980 0.40 . 1 . . . A 32 THR CB . 18003 1 305 . 1 1 31 31 THR N N 15 114.6130 0.40 . 1 . . . A 32 THR N . 18003 1 306 . 1 1 32 32 PRO HA H 1 4.4380 0.02 . 1 . . . A 33 PRO HA . 18003 1 307 . 1 1 32 32 PRO HB2 H 1 2.1400 0.02 . 2 . . . A 33 PRO HB2 . 18003 1 308 . 1 1 32 32 PRO HB3 H 1 2.1400 0.02 . 2 . . . A 33 PRO HB3 . 18003 1 309 . 1 1 32 32 PRO HG2 H 1 1.7910 0.02 . 2 . . . A 33 PRO HG2 . 18003 1 310 . 1 1 32 32 PRO HG3 H 1 1.7910 0.02 . 2 . . . A 33 PRO HG3 . 18003 1 311 . 1 1 32 32 PRO HD2 H 1 3.9410 0.02 . 2 . . . A 33 PRO HD2 . 18003 1 312 . 1 1 32 32 PRO HD3 H 1 3.9410 0.02 . 2 . . . A 33 PRO HD3 . 18003 1 313 . 1 1 32 32 PRO C C 13 178.2070 0.40 . 1 . . . A 33 PRO C . 18003 1 314 . 1 1 32 32 PRO CA C 13 66.9050 0.40 . 1 . . . A 33 PRO CA . 18003 1 315 . 1 1 32 32 PRO CB C 13 31.2640 0.40 . 1 . . . A 33 PRO CB . 18003 1 316 . 1 1 32 32 PRO CG C 13 30.3200 0.40 . 1 . . . A 33 PRO CG . 18003 1 317 . 1 1 32 32 PRO CD C 13 51.0740 0.40 . 1 . . . A 33 PRO CD . 18003 1 318 . 1 1 33 33 SER H H 1 8.4070 0.02 . 1 . . . A 34 SER H . 18003 1 319 . 1 1 33 33 SER HA H 1 4.0260 0.02 . 1 . . . A 34 SER HA . 18003 1 320 . 1 1 33 33 SER HB2 H 1 3.8000 0.02 . 2 . . . A 34 SER HB2 . 18003 1 321 . 1 1 33 33 SER HB3 H 1 3.8000 0.02 . 2 . . . A 34 SER HB3 . 18003 1 322 . 1 1 33 33 SER C C 13 176.7420 0.40 . 1 . . . A 34 SER C . 18003 1 323 . 1 1 33 33 SER CA C 13 61.7820 0.40 . 1 . . . A 34 SER CA . 18003 1 324 . 1 1 33 33 SER CB C 13 62.4320 0.40 . 1 . . . A 34 SER CB . 18003 1 325 . 1 1 33 33 SER N N 15 110.7670 0.40 . 1 . . . A 34 SER N . 18003 1 326 . 1 1 34 34 ARG H H 1 7.3410 0.02 . 1 . . . A 35 ARG H . 18003 1 327 . 1 1 34 34 ARG HA H 1 4.0540 0.02 . 1 . . . A 35 ARG HA . 18003 1 328 . 1 1 34 34 ARG HB2 H 1 2.0550 0.02 . 2 . . . A 35 ARG HB2 . 18003 1 329 . 1 1 34 34 ARG HB3 H 1 2.0550 0.02 . 2 . . . A 35 ARG HB3 . 18003 1 330 . 1 1 34 34 ARG HG2 H 1 1.6860 0.02 . 2 . . . A 35 ARG HG2 . 18003 1 331 . 1 1 34 34 ARG HG3 H 1 1.6860 0.02 . 2 . . . A 35 ARG HG3 . 18003 1 332 . 1 1 34 34 ARG C C 13 178.2830 0.40 . 1 . . . A 35 ARG C . 18003 1 333 . 1 1 34 34 ARG CA C 13 60.5320 0.40 . 1 . . . A 35 ARG CA . 18003 1 334 . 1 1 34 34 ARG CB C 13 28.9530 0.40 . 1 . . . A 35 ARG CB . 18003 1 335 . 1 1 34 34 ARG N N 15 120.1350 0.40 . 1 . . . A 35 ARG N . 18003 1 336 . 1 1 35 35 LEU H H 1 8.2260 0.02 . 1 . . . A 36 LEU H . 18003 1 337 . 1 1 35 35 LEU HA H 1 4.0540 0.02 . 1 . . . A 36 LEU HA . 18003 1 338 . 1 1 35 35 LEU HG H 1 1.2860 0.02 . 1 . . . A 36 LEU HG . 18003 1 339 . 1 1 35 35 LEU HD11 H 1 0.7490 0.02 . 2 . . . A 36 LEU HD11 . 18003 1 340 . 1 1 35 35 LEU HD12 H 1 0.7490 0.02 . 2 . . . A 36 LEU HD12 . 18003 1 341 . 1 1 35 35 LEU HD13 H 1 0.7490 0.02 . 2 . . . A 36 LEU HD13 . 18003 1 342 . 1 1 35 35 LEU HD21 H 1 0.7490 0.02 . 2 . . . A 36 LEU HD21 . 18003 1 343 . 1 1 35 35 LEU HD22 H 1 0.7490 0.02 . 2 . . . A 36 LEU HD22 . 18003 1 344 . 1 1 35 35 LEU HD23 H 1 0.7490 0.02 . 2 . . . A 36 LEU HD23 . 18003 1 345 . 1 1 35 35 LEU C C 13 180.6430 0.40 . 1 . . . A 36 LEU C . 18003 1 346 . 1 1 35 35 LEU CA C 13 57.8090 0.40 . 1 . . . A 36 LEU CA . 18003 1 347 . 1 1 35 35 LEU CB C 13 41.7780 0.40 . 1 . . . A 36 LEU CB . 18003 1 348 . 1 1 35 35 LEU N N 15 118.4540 0.40 . 1 . . . A 36 LEU N . 18003 1 349 . 1 1 36 36 MET H H 1 8.4470 0.02 . 1 . . . A 37 MET H . 18003 1 350 . 1 1 36 36 MET HA H 1 3.9280 0.02 . 1 . . . A 37 MET HA . 18003 1 351 . 1 1 36 36 MET HG2 H 1 2.4330 0.02 . 2 . . . A 37 MET HG2 . 18003 1 352 . 1 1 36 36 MET HG3 H 1 2.6060 0.02 . 2 . . . A 37 MET HG3 . 18003 1 353 . 1 1 36 36 MET C C 13 177.6710 0.40 . 1 . . . A 37 MET C . 18003 1 354 . 1 1 36 36 MET CA C 13 60.6130 0.40 . 1 . . . A 37 MET CA . 18003 1 355 . 1 1 36 36 MET CB C 13 33.1280 0.40 . 1 . . . A 37 MET CB . 18003 1 356 . 1 1 36 36 MET CG C 13 31.6530 0.40 . 1 . . . A 37 MET CG . 18003 1 357 . 1 1 36 36 MET N N 15 121.0730 0.40 . 1 . . . A 37 MET N . 18003 1 358 . 1 1 37 37 ILE H H 1 7.7630 0.02 . 1 . . . A 38 ILE H . 18003 1 359 . 1 1 37 37 ILE HA H 1 3.4400 0.02 . 1 . . . A 38 ILE HA . 18003 1 360 . 1 1 37 37 ILE HB H 1 1.9760 0.02 . 1 . . . A 38 ILE HB . 18003 1 361 . 1 1 37 37 ILE HG21 H 1 0.6800 0.02 . 1 . . . A 38 ILE HG21 . 18003 1 362 . 1 1 37 37 ILE HG22 H 1 0.6800 0.02 . 1 . . . A 38 ILE HG22 . 18003 1 363 . 1 1 37 37 ILE HG23 H 1 0.6800 0.02 . 1 . . . A 38 ILE HG23 . 18003 1 364 . 1 1 37 37 ILE HD11 H 1 0.6670 0.02 . 1 . . . A 38 ILE HD11 . 18003 1 365 . 1 1 37 37 ILE HD12 H 1 0.6670 0.02 . 1 . . . A 38 ILE HD12 . 18003 1 366 . 1 1 37 37 ILE HD13 H 1 0.6670 0.02 . 1 . . . A 38 ILE HD13 . 18003 1 367 . 1 1 37 37 ILE C C 13 177.0920 0.40 . 1 . . . A 38 ILE C . 18003 1 368 . 1 1 37 37 ILE CA C 13 65.6750 0.40 . 1 . . . A 38 ILE CA . 18003 1 369 . 1 1 37 37 ILE CB C 13 38.2550 0.40 . 1 . . . A 38 ILE CB . 18003 1 370 . 1 1 37 37 ILE N N 15 118.2390 0.40 . 1 . . . A 38 ILE N . 18003 1 371 . 1 1 38 38 LEU H H 1 8.5380 0.02 . 1 . . . A 39 LEU H . 18003 1 372 . 1 1 38 38 LEU HA H 1 3.8260 0.02 . 1 . . . A 39 LEU HA . 18003 1 373 . 1 1 38 38 LEU HD11 H 1 0.7760 0.02 . 2 . . . A 39 LEU HD11 . 18003 1 374 . 1 1 38 38 LEU HD12 H 1 0.7760 0.02 . 2 . . . A 39 LEU HD12 . 18003 1 375 . 1 1 38 38 LEU HD13 H 1 0.7760 0.02 . 2 . . . A 39 LEU HD13 . 18003 1 376 . 1 1 38 38 LEU HD21 H 1 0.7760 0.02 . 2 . . . A 39 LEU HD21 . 18003 1 377 . 1 1 38 38 LEU HD22 H 1 0.7760 0.02 . 2 . . . A 39 LEU HD22 . 18003 1 378 . 1 1 38 38 LEU HD23 H 1 0.7760 0.02 . 2 . . . A 39 LEU HD23 . 18003 1 379 . 1 1 38 38 LEU C C 13 178.9410 0.40 . 1 . . . A 39 LEU C . 18003 1 380 . 1 1 38 38 LEU CA C 13 58.0310 0.40 . 1 . . . A 39 LEU CA . 18003 1 381 . 1 1 38 38 LEU CB C 13 41.7800 0.40 . 1 . . . A 39 LEU CB . 18003 1 382 . 1 1 38 38 LEU CG C 13 28.1630 0.40 . 1 . . . A 39 LEU CG . 18003 1 383 . 1 1 38 38 LEU CD1 C 13 26.1280 0.40 . 2 . . . A 39 LEU CD1 . 18003 1 384 . 1 1 38 38 LEU CD2 C 13 26.1280 0.40 . 2 . . . A 39 LEU CD2 . 18003 1 385 . 1 1 38 38 LEU N N 15 116.0730 0.40 . 1 . . . A 39 LEU N . 18003 1 386 . 1 1 39 39 THR H H 1 8.0860 0.02 . 1 . . . A 40 THR H . 18003 1 387 . 1 1 39 39 THR HA H 1 3.9320 0.02 . 1 . . . A 40 THR HA . 18003 1 388 . 1 1 39 39 THR HG21 H 1 1.2210 0.02 . 1 . . . A 40 THR HG21 . 18003 1 389 . 1 1 39 39 THR HG22 H 1 1.2210 0.02 . 1 . . . A 40 THR HG22 . 18003 1 390 . 1 1 39 39 THR HG23 H 1 1.2210 0.02 . 1 . . . A 40 THR HG23 . 18003 1 391 . 1 1 39 39 THR C C 13 177.7470 0.40 . 1 . . . A 40 THR C . 18003 1 392 . 1 1 39 39 THR CA C 13 65.5360 0.40 . 1 . . . A 40 THR CA . 18003 1 393 . 1 1 39 39 THR CB C 13 68.3600 0.40 . 1 . . . A 40 THR CB . 18003 1 394 . 1 1 39 39 THR N N 15 106.6780 0.40 . 1 . . . A 40 THR N . 18003 1 395 . 1 1 40 40 GLN H H 1 7.5930 0.02 . 1 . . . A 41 GLN H . 18003 1 396 . 1 1 40 40 GLN HA H 1 4.0060 0.02 . 1 . . . A 41 GLN HA . 18003 1 397 . 1 1 40 40 GLN HB2 H 1 2.1080 0.02 . 2 . . . A 41 GLN HB2 . 18003 1 398 . 1 1 40 40 GLN HB3 H 1 2.1080 0.02 . 2 . . . A 41 GLN HB3 . 18003 1 399 . 1 1 40 40 GLN HG2 H 1 2.4310 0.02 . 2 . . . A 41 GLN HG2 . 18003 1 400 . 1 1 40 40 GLN HG3 H 1 2.4310 0.02 . 2 . . . A 41 GLN HG3 . 18003 1 401 . 1 1 40 40 GLN C C 13 178.3480 0.40 . 1 . . . A 41 GLN C . 18003 1 402 . 1 1 40 40 GLN CA C 13 57.9250 0.40 . 1 . . . A 41 GLN CA . 18003 1 403 . 1 1 40 40 GLN CB C 13 27.5200 0.40 . 1 . . . A 41 GLN CB . 18003 1 404 . 1 1 40 40 GLN CG C 13 33.5640 0.40 . 1 . . . A 41 GLN CG . 18003 1 405 . 1 1 40 40 GLN N N 15 122.3440 0.40 . 1 . . . A 41 GLN N . 18003 1 406 . 1 1 41 41 LEU H H 1 7.5700 0.02 . 1 . . . A 42 LEU H . 18003 1 407 . 1 1 41 41 LEU HB3 H 1 1.9150 0.02 . 2 . . . A 42 LEU HB3 . 18003 1 408 . 1 1 41 41 LEU HD11 H 1 0.6430 0.02 . 2 . . . A 42 LEU HD11 . 18003 1 409 . 1 1 41 41 LEU HD12 H 1 0.6430 0.02 . 2 . . . A 42 LEU HD12 . 18003 1 410 . 1 1 41 41 LEU HD13 H 1 0.6430 0.02 . 2 . . . A 42 LEU HD13 . 18003 1 411 . 1 1 41 41 LEU HD21 H 1 0.6430 0.02 . 2 . . . A 42 LEU HD21 . 18003 1 412 . 1 1 41 41 LEU HD22 H 1 0.6430 0.02 . 2 . . . A 42 LEU HD22 . 18003 1 413 . 1 1 41 41 LEU HD23 H 1 0.6430 0.02 . 2 . . . A 42 LEU HD23 . 18003 1 414 . 1 1 41 41 LEU C C 13 178.4180 0.40 . 1 . . . A 42 LEU C . 18003 1 415 . 1 1 41 41 LEU CA C 13 55.5310 0.40 . 1 . . . A 42 LEU CA . 18003 1 416 . 1 1 41 41 LEU CB C 13 41.3490 0.40 . 1 . . . A 42 LEU CB . 18003 1 417 . 1 1 41 41 LEU CD1 C 13 26.0110 0.40 . 2 . . . A 42 LEU CD1 . 18003 1 418 . 1 1 41 41 LEU CD2 C 13 26.0110 0.40 . 2 . . . A 42 LEU CD2 . 18003 1 419 . 1 1 41 41 LEU N N 15 116.3020 0.40 . 1 . . . A 42 LEU N . 18003 1 420 . 1 1 42 42 ARG H H 1 7.6120 0.02 . 1 . . . A 43 ARG H . 18003 1 421 . 1 1 42 42 ARG HA H 1 3.9150 0.02 . 1 . . . A 43 ARG HA . 18003 1 422 . 1 1 42 42 ARG HB2 H 1 1.9450 0.02 . 2 . . . A 43 ARG HB2 . 18003 1 423 . 1 1 42 42 ARG HB3 H 1 1.9450 0.02 . 2 . . . A 43 ARG HB3 . 18003 1 424 . 1 1 42 42 ARG HG2 H 1 1.7870 0.02 . 2 . . . A 43 ARG HG2 . 18003 1 425 . 1 1 42 42 ARG HG3 H 1 1.7870 0.02 . 2 . . . A 43 ARG HG3 . 18003 1 426 . 1 1 42 42 ARG HD2 H 1 3.0390 0.02 . 2 . . . A 43 ARG HD2 . 18003 1 427 . 1 1 42 42 ARG HD3 H 1 3.0390 0.02 . 2 . . . A 43 ARG HD3 . 18003 1 428 . 1 1 42 42 ARG C C 13 177.2050 0.40 . 1 . . . A 43 ARG C . 18003 1 429 . 1 1 42 42 ARG CA C 13 58.7040 0.40 . 1 . . . A 43 ARG CA . 18003 1 430 . 1 1 42 42 ARG CB C 13 29.4430 0.40 . 1 . . . A 43 ARG CB . 18003 1 431 . 1 1 42 42 ARG CG C 13 27.7270 0.40 . 1 . . . A 43 ARG CG . 18003 1 432 . 1 1 42 42 ARG CD C 13 42.6140 0.40 . 1 . . . A 43 ARG CD . 18003 1 433 . 1 1 42 42 ARG N N 15 119.9540 0.40 . 1 . . . A 43 ARG N . 18003 1 434 . 1 1 43 43 ASN H H 1 7.5670 0.02 . 1 . . . A 44 ASN H . 18003 1 435 . 1 1 43 43 ASN HA H 1 4.7600 0.02 . 1 . . . A 44 ASN HA . 18003 1 436 . 1 1 43 43 ASN HB2 H 1 2.9230 0.02 . 2 . . . A 44 ASN HB2 . 18003 1 437 . 1 1 43 43 ASN HB3 H 1 2.9230 0.02 . 2 . . . A 44 ASN HB3 . 18003 1 438 . 1 1 43 43 ASN C C 13 174.5070 0.40 . 1 . . . A 44 ASN C . 18003 1 439 . 1 1 43 43 ASN CA C 13 53.9530 0.40 . 1 . . . A 44 ASN CA . 18003 1 440 . 1 1 43 43 ASN CB C 13 39.0300 0.40 . 1 . . . A 44 ASN CB . 18003 1 441 . 1 1 43 43 ASN N N 15 114.6820 0.40 . 1 . . . A 44 ASN N . 18003 1 442 . 1 1 44 44 GLY H H 1 7.3610 0.02 . 1 . . . A 45 GLY H . 18003 1 443 . 1 1 44 44 GLY HA2 H 1 3.9090 0.02 . 2 . . . A 45 GLY HA2 . 18003 1 444 . 1 1 44 44 GLY HA3 H 1 3.9090 0.02 . 2 . . . A 45 GLY HA3 . 18003 1 445 . 1 1 44 44 GLY CA C 13 44.2680 0.40 . 1 . . . A 45 GLY CA . 18003 1 446 . 1 1 44 44 GLY N N 15 109.1130 0.40 . 1 . . . A 45 GLY N . 18003 1 447 . 1 1 45 45 PRO HB2 H 1 1.9800 0.02 . 2 . . . A 46 PRO HB2 . 18003 1 448 . 1 1 45 45 PRO HB3 H 1 1.9800 0.02 . 2 . . . A 46 PRO HB3 . 18003 1 449 . 1 1 45 45 PRO HG2 H 1 1.5980 0.02 . 2 . . . A 46 PRO HG2 . 18003 1 450 . 1 1 45 45 PRO HG3 H 1 1.5980 0.02 . 2 . . . A 46 PRO HG3 . 18003 1 451 . 1 1 45 45 PRO C C 13 178.4120 0.40 . 1 . . . A 46 PRO C . 18003 1 452 . 1 1 45 45 PRO CA C 13 62.5800 0.40 . 1 . . . A 46 PRO CA . 18003 1 453 . 1 1 45 45 PRO CB C 13 33.1290 0.40 . 1 . . . A 46 PRO CB . 18003 1 454 . 1 1 45 45 PRO CG C 13 26.5410 0.40 . 1 . . . A 46 PRO CG . 18003 1 455 . 1 1 46 46 LEU H H 1 8.2520 0.02 . 1 . . . A 47 LEU H . 18003 1 456 . 1 1 46 46 LEU HA H 1 5.0310 0.02 . 1 . . . A 47 LEU HA . 18003 1 457 . 1 1 46 46 LEU HD11 H 1 1.0310 0.02 . 2 . . . A 47 LEU HD11 . 18003 1 458 . 1 1 46 46 LEU HD12 H 1 1.0310 0.02 . 2 . . . A 47 LEU HD12 . 18003 1 459 . 1 1 46 46 LEU HD13 H 1 1.0310 0.02 . 2 . . . A 47 LEU HD13 . 18003 1 460 . 1 1 46 46 LEU HD21 H 1 1.0310 0.02 . 2 . . . A 47 LEU HD21 . 18003 1 461 . 1 1 46 46 LEU HD22 H 1 1.0310 0.02 . 2 . . . A 47 LEU HD22 . 18003 1 462 . 1 1 46 46 LEU HD23 H 1 1.0310 0.02 . 2 . . . A 47 LEU HD23 . 18003 1 463 . 1 1 46 46 LEU CA C 13 52.5500 0.40 . 1 . . . A 47 LEU CA . 18003 1 464 . 1 1 46 46 LEU CB C 13 48.2100 0.40 . 1 . . . A 47 LEU CB . 18003 1 465 . 1 1 46 46 LEU N N 15 120.3630 0.40 . 1 . . . A 47 LEU N . 18003 1 466 . 1 1 47 47 PRO HB2 H 1 2.3560 0.02 . 2 . . . A 48 PRO HB2 . 18003 1 467 . 1 1 47 47 PRO HB3 H 1 2.3560 0.02 . 2 . . . A 48 PRO HB3 . 18003 1 468 . 1 1 47 47 PRO HG2 H 1 2.1370 0.02 . 2 . . . A 48 PRO HG2 . 18003 1 469 . 1 1 47 47 PRO HG3 H 1 2.1370 0.02 . 2 . . . A 48 PRO HG3 . 18003 1 470 . 1 1 47 47 PRO HD2 H 1 3.7700 0.02 . 2 . . . A 48 PRO HD2 . 18003 1 471 . 1 1 47 47 PRO HD3 H 1 3.7700 0.02 . 2 . . . A 48 PRO HD3 . 18003 1 472 . 1 1 47 47 PRO C C 13 177.3130 0.40 . 1 . . . A 48 PRO C . 18003 1 473 . 1 1 47 47 PRO CA C 13 61.8350 0.40 . 1 . . . A 48 PRO CA . 18003 1 474 . 1 1 47 47 PRO CB C 13 32.3830 0.40 . 1 . . . A 48 PRO CB . 18003 1 475 . 1 1 47 47 PRO CG C 13 27.1570 0.40 . 1 . . . A 48 PRO CG . 18003 1 476 . 1 1 48 48 VAL H H 1 9.0740 0.02 . 1 . . . A 49 VAL H . 18003 1 477 . 1 1 48 48 VAL HA H 1 3.6070 0.02 . 1 . . . A 49 VAL HA . 18003 1 478 . 1 1 48 48 VAL HB H 1 2.1840 0.02 . 1 . . . A 49 VAL HB . 18003 1 479 . 1 1 48 48 VAL HG11 H 1 1.0560 0.02 . 2 . . . A 49 VAL HG11 . 18003 1 480 . 1 1 48 48 VAL HG12 H 1 1.0560 0.02 . 2 . . . A 49 VAL HG12 . 18003 1 481 . 1 1 48 48 VAL HG13 H 1 1.0560 0.02 . 2 . . . A 49 VAL HG13 . 18003 1 482 . 1 1 48 48 VAL HG21 H 1 1.0560 0.02 . 2 . . . A 49 VAL HG21 . 18003 1 483 . 1 1 48 48 VAL HG22 H 1 1.0560 0.02 . 2 . . . A 49 VAL HG22 . 18003 1 484 . 1 1 48 48 VAL HG23 H 1 1.0560 0.02 . 2 . . . A 49 VAL HG23 . 18003 1 485 . 1 1 48 48 VAL C C 13 176.7100 0.40 . 1 . . . A 49 VAL C . 18003 1 486 . 1 1 48 48 VAL CA C 13 66.1880 0.40 . 1 . . . A 49 VAL CA . 18003 1 487 . 1 1 48 48 VAL CB C 13 31.5810 0.40 . 1 . . . A 49 VAL CB . 18003 1 488 . 1 1 48 48 VAL CG1 C 13 23.5710 0.40 . 2 . . . A 49 VAL CG1 . 18003 1 489 . 1 1 48 48 VAL CG2 C 13 21.3780 0.40 . 2 . . . A 49 VAL CG2 . 18003 1 490 . 1 1 48 48 VAL N N 15 119.3840 0.40 . 1 . . . A 49 VAL N . 18003 1 491 . 1 1 49 49 THR H H 1 7.8480 0.02 . 1 . . . A 50 THR H . 18003 1 492 . 1 1 49 49 THR HA H 1 4.1810 0.02 . 1 . . . A 50 THR HA . 18003 1 493 . 1 1 49 49 THR HB H 1 3.8860 0.02 . 1 . . . A 50 THR HB . 18003 1 494 . 1 1 49 49 THR HG21 H 1 1.3070 0.02 . 1 . . . A 50 THR HG21 . 18003 1 495 . 1 1 49 49 THR HG22 H 1 1.3070 0.02 . 1 . . . A 50 THR HG22 . 18003 1 496 . 1 1 49 49 THR HG23 H 1 1.3070 0.02 . 1 . . . A 50 THR HG23 . 18003 1 497 . 1 1 49 49 THR C C 13 176.7170 0.40 . 1 . . . A 50 THR C . 18003 1 498 . 1 1 49 49 THR CA C 13 65.0630 0.40 . 1 . . . A 50 THR CA . 18003 1 499 . 1 1 49 49 THR CB C 13 68.0320 0.40 . 1 . . . A 50 THR CB . 18003 1 500 . 1 1 49 49 THR CG2 C 13 22.6930 0.40 . 1 . . . A 50 THR CG2 . 18003 1 501 . 1 1 49 49 THR N N 15 111.2930 0.40 . 1 . . . A 50 THR N . 18003 1 502 . 1 1 50 50 ASP H H 1 7.1080 0.02 . 1 . . . A 51 ASP H . 18003 1 503 . 1 1 50 50 ASP HA H 1 4.2050 0.02 . 1 . . . A 51 ASP HA . 18003 1 504 . 1 1 50 50 ASP HB2 H 1 1.9590 0.02 . 2 . . . A 51 ASP HB2 . 18003 1 505 . 1 1 50 50 ASP C C 13 174.7230 0.40 . 1 . . . A 51 ASP C . 18003 1 506 . 1 1 50 50 ASP CA C 13 56.7810 0.40 . 1 . . . A 51 ASP CA . 18003 1 507 . 1 1 50 50 ASP CB C 13 41.1110 0.40 . 1 . . . A 51 ASP CB . 18003 1 508 . 1 1 50 50 ASP N N 15 120.1380 0.40 . 1 . . . A 51 ASP N . 18003 1 509 . 1 1 51 51 LEU H H 1 7.9430 0.02 . 1 . . . A 52 LEU H . 18003 1 510 . 1 1 51 51 LEU HA H 1 3.9850 0.02 . 1 . . . A 52 LEU HA . 18003 1 511 . 1 1 51 51 LEU HB2 H 1 1.6510 0.02 . 2 . . . A 52 LEU HB2 . 18003 1 512 . 1 1 51 51 LEU HB3 H 1 1.6510 0.02 . 2 . . . A 52 LEU HB3 . 18003 1 513 . 1 1 51 51 LEU HG H 1 1.6510 0.02 . 1 . . . A 52 LEU HG . 18003 1 514 . 1 1 51 51 LEU HD11 H 1 0.8590 0.02 . 2 . . . A 52 LEU HD11 . 18003 1 515 . 1 1 51 51 LEU HD12 H 1 0.8590 0.02 . 2 . . . A 52 LEU HD12 . 18003 1 516 . 1 1 51 51 LEU HD13 H 1 0.8590 0.02 . 2 . . . A 52 LEU HD13 . 18003 1 517 . 1 1 51 51 LEU HD21 H 1 0.8590 0.02 . 2 . . . A 52 LEU HD21 . 18003 1 518 . 1 1 51 51 LEU HD22 H 1 0.8590 0.02 . 2 . . . A 52 LEU HD22 . 18003 1 519 . 1 1 51 51 LEU HD23 H 1 0.8590 0.02 . 2 . . . A 52 LEU HD23 . 18003 1 520 . 1 1 51 51 LEU C C 13 177.0890 0.40 . 1 . . . A 52 LEU C . 18003 1 521 . 1 1 51 51 LEU CA C 13 58.1610 0.40 . 1 . . . A 52 LEU CA . 18003 1 522 . 1 1 51 51 LEU CB C 13 41.7800 0.40 . 1 . . . A 52 LEU CB . 18003 1 523 . 1 1 51 51 LEU CG C 13 25.6200 0.40 . 1 . . . A 52 LEU CG . 18003 1 524 . 1 1 51 51 LEU CD1 C 13 25.6200 0.40 . 2 . . . A 52 LEU CD1 . 18003 1 525 . 1 1 51 51 LEU CD2 C 13 25.6200 0.40 . 2 . . . A 52 LEU CD2 . 18003 1 526 . 1 1 51 51 LEU N N 15 121.0890 0.40 . 1 . . . A 52 LEU N . 18003 1 527 . 1 1 52 52 ALA H H 1 8.4800 0.02 . 1 . . . A 53 ALA H . 18003 1 528 . 1 1 52 52 ALA HA H 1 3.8720 0.02 . 1 . . . A 53 ALA HA . 18003 1 529 . 1 1 52 52 ALA HB1 H 1 1.5120 0.02 . 1 . . . A 53 ALA HB1 . 18003 1 530 . 1 1 52 52 ALA HB2 H 1 1.5120 0.02 . 1 . . . A 53 ALA HB2 . 18003 1 531 . 1 1 52 52 ALA HB3 H 1 1.5120 0.02 . 1 . . . A 53 ALA HB3 . 18003 1 532 . 1 1 52 52 ALA C C 13 179.4660 0.40 . 1 . . . A 53 ALA C . 18003 1 533 . 1 1 52 52 ALA CA C 13 55.6630 0.40 . 1 . . . A 53 ALA CA . 18003 1 534 . 1 1 52 52 ALA CB C 13 17.6190 0.40 . 1 . . . A 53 ALA CB . 18003 1 535 . 1 1 52 52 ALA N N 15 119.2370 0.40 . 1 . . . A 53 ALA N . 18003 1 536 . 1 1 53 53 GLU H H 1 7.7050 0.02 . 1 . . . A 54 GLU H . 18003 1 537 . 1 1 53 53 GLU HA H 1 4.0540 0.02 . 1 . . . A 54 GLU HA . 18003 1 538 . 1 1 53 53 GLU HG2 H 1 2.3660 0.02 . 2 . . . A 54 GLU HG2 . 18003 1 539 . 1 1 53 53 GLU HG3 H 1 2.3660 0.02 . 2 . . . A 54 GLU HG3 . 18003 1 540 . 1 1 53 53 GLU C C 13 179.0730 0.40 . 1 . . . A 54 GLU C . 18003 1 541 . 1 1 53 53 GLU CA C 13 58.8270 0.40 . 1 . . . A 54 GLU CA . 18003 1 542 . 1 1 53 53 GLU CB C 13 29.4000 0.40 . 1 . . . A 54 GLU CB . 18003 1 543 . 1 1 53 53 GLU N N 15 115.6550 0.40 . 1 . . . A 54 GLU N . 18003 1 544 . 1 1 54 54 ALA H H 1 7.9280 0.02 . 1 . . . A 55 ALA H . 18003 1 545 . 1 1 54 54 ALA HA H 1 4.1370 0.02 . 1 . . . A 55 ALA HA . 18003 1 546 . 1 1 54 54 ALA HB1 H 1 1.4480 0.02 . 1 . . . A 55 ALA HB1 . 18003 1 547 . 1 1 54 54 ALA HB2 H 1 1.4480 0.02 . 1 . . . A 55 ALA HB2 . 18003 1 548 . 1 1 54 54 ALA HB3 H 1 1.4480 0.02 . 1 . . . A 55 ALA HB3 . 18003 1 549 . 1 1 54 54 ALA C C 13 179.7710 0.40 . 1 . . . A 55 ALA C . 18003 1 550 . 1 1 54 54 ALA CA C 13 54.6610 0.40 . 1 . . . A 55 ALA CA . 18003 1 551 . 1 1 54 54 ALA CB C 13 18.2350 0.40 . 1 . . . A 55 ALA CB . 18003 1 552 . 1 1 54 54 ALA N N 15 120.2760 0.40 . 1 . . . A 55 ALA N . 18003 1 553 . 1 1 55 55 ILE H H 1 7.5070 0.02 . 1 . . . A 56 ILE H . 18003 1 554 . 1 1 55 55 ILE HB H 1 2.0890 0.02 . 1 . . . A 56 ILE HB . 18003 1 555 . 1 1 55 55 ILE HG12 H 1 1.5570 0.02 . 2 . . . A 56 ILE HG12 . 18003 1 556 . 1 1 55 55 ILE HG13 H 1 1.5570 0.02 . 2 . . . A 56 ILE HG13 . 18003 1 557 . 1 1 55 55 ILE HG21 H 1 0.8470 0.02 . 1 . . . A 56 ILE HG21 . 18003 1 558 . 1 1 55 55 ILE HG22 H 1 0.8470 0.02 . 1 . . . A 56 ILE HG22 . 18003 1 559 . 1 1 55 55 ILE HG23 H 1 0.8470 0.02 . 1 . . . A 56 ILE HG23 . 18003 1 560 . 1 1 55 55 ILE HD11 H 1 0.8470 0.02 . 1 . . . A 56 ILE HD11 . 18003 1 561 . 1 1 55 55 ILE HD12 H 1 0.8470 0.02 . 1 . . . A 56 ILE HD12 . 18003 1 562 . 1 1 55 55 ILE HD13 H 1 0.8470 0.02 . 1 . . . A 56 ILE HD13 . 18003 1 563 . 1 1 55 55 ILE C C 13 176.0530 0.40 . 1 . . . A 56 ILE C . 18003 1 564 . 1 1 55 55 ILE CA C 13 60.5510 0.40 . 1 . . . A 56 ILE CA . 18003 1 565 . 1 1 55 55 ILE CB C 13 38.4970 0.40 . 1 . . . A 56 ILE CB . 18003 1 566 . 1 1 55 55 ILE CG1 C 13 25.0450 0.40 . 1 . . . A 56 ILE CG1 . 18003 1 567 . 1 1 55 55 ILE CG2 C 13 17.2100 0.40 . 1 . . . A 56 ILE CG2 . 18003 1 568 . 1 1 55 55 ILE CD1 C 13 17.2100 0.40 . 1 . . . A 56 ILE CD1 . 18003 1 569 . 1 1 55 55 ILE N N 15 107.1950 0.40 . 1 . . . A 56 ILE N . 18003 1 570 . 1 1 56 56 GLY H H 1 7.7570 0.02 . 1 . . . A 57 GLY H . 18003 1 571 . 1 1 56 56 GLY HA2 H 1 3.9090 0.02 . 2 . . . A 57 GLY HA2 . 18003 1 572 . 1 1 56 56 GLY HA3 H 1 3.9090 0.02 . 2 . . . A 57 GLY HA3 . 18003 1 573 . 1 1 56 56 GLY C C 13 174.4210 0.40 . 1 . . . A 57 GLY C . 18003 1 574 . 1 1 56 56 GLY CA C 13 46.9600 0.40 . 1 . . . A 57 GLY CA . 18003 1 575 . 1 1 56 56 GLY N N 15 111.1080 0.40 . 1 . . . A 57 GLY N . 18003 1 576 . 1 1 57 57 MET H H 1 7.6590 0.02 . 1 . . . A 58 MET H . 18003 1 577 . 1 1 57 57 MET HA H 1 3.9330 0.02 . 1 . . . A 58 MET HA . 18003 1 578 . 1 1 57 57 MET HG2 H 1 2.5060 0.02 . 2 . . . A 58 MET HG2 . 18003 1 579 . 1 1 57 57 MET HG3 H 1 2.5060 0.02 . 2 . . . A 58 MET HG3 . 18003 1 580 . 1 1 57 57 MET C C 13 174.1570 0.40 . 1 . . . A 58 MET C . 18003 1 581 . 1 1 57 57 MET CA C 13 54.0910 0.40 . 1 . . . A 58 MET CA . 18003 1 582 . 1 1 57 57 MET CB C 13 38.0620 0.40 . 1 . . . A 58 MET CB . 18003 1 583 . 1 1 57 57 MET CG C 13 32.3140 0.40 . 1 . . . A 58 MET CG . 18003 1 584 . 1 1 57 57 MET N N 15 118.0890 0.40 . 1 . . . A 58 MET N . 18003 1 585 . 1 1 58 58 GLU H H 1 8.5230 0.02 . 1 . . . A 59 GLU H . 18003 1 586 . 1 1 58 58 GLU HA H 1 4.3400 0.02 . 1 . . . A 59 GLU HA . 18003 1 587 . 1 1 58 58 GLU HG2 H 1 2.4400 0.02 . 2 . . . A 59 GLU HG2 . 18003 1 588 . 1 1 58 58 GLU HG3 H 1 2.4400 0.02 . 2 . . . A 59 GLU HG3 . 18003 1 589 . 1 1 58 58 GLU C C 13 178.3550 0.40 . 1 . . . A 59 GLU C . 18003 1 590 . 1 1 58 58 GLU CA C 13 56.6430 0.40 . 1 . . . A 59 GLU CA . 18003 1 591 . 1 1 58 58 GLU CB C 13 30.0290 0.40 . 1 . . . A 59 GLU CB . 18003 1 592 . 1 1 58 58 GLU CG C 13 36.1980 0.40 . 1 . . . A 59 GLU CG . 18003 1 593 . 1 1 58 58 GLU N N 15 121.6560 0.40 . 1 . . . A 59 GLU N . 18003 1 594 . 1 1 59 59 GLN H H 1 9.0090 0.02 . 1 . . . A 60 GLN H . 18003 1 595 . 1 1 59 59 GLN HA H 1 4.2140 0.02 . 1 . . . A 60 GLN HA . 18003 1 596 . 1 1 59 59 GLN HG2 H 1 2.2600 0.02 . 2 . . . A 60 GLN HG2 . 18003 1 597 . 1 1 59 59 GLN HG3 H 1 2.4260 0.02 . 2 . . . A 60 GLN HG3 . 18003 1 598 . 1 1 59 59 GLN C C 13 177.9610 0.40 . 1 . . . A 60 GLN C . 18003 1 599 . 1 1 59 59 GLN CA C 13 60.6160 0.40 . 1 . . . A 60 GLN CA . 18003 1 600 . 1 1 59 59 GLN CB C 13 29.0150 0.40 . 1 . . . A 60 GLN CB . 18003 1 601 . 1 1 59 59 GLN CG C 13 34.0820 0.40 . 1 . . . A 60 GLN CG . 18003 1 602 . 1 1 59 59 GLN N N 15 123.6860 0.40 . 1 . . . A 60 GLN N . 18003 1 603 . 1 1 60 60 SER H H 1 8.9640 0.02 . 1 . . . A 61 SER H . 18003 1 604 . 1 1 60 60 SER C C 13 176.8010 0.40 . 1 . . . A 61 SER C . 18003 1 605 . 1 1 60 60 SER CA C 13 61.2130 0.40 . 1 . . . A 61 SER CA . 18003 1 606 . 1 1 60 60 SER N N 15 115.1010 0.40 . 1 . . . A 61 SER N . 18003 1 607 . 1 1 61 61 ALA H H 1 7.1030 0.02 . 1 . . . A 62 ALA H . 18003 1 608 . 1 1 61 61 ALA HA H 1 4.3510 0.02 . 1 . . . A 62 ALA HA . 18003 1 609 . 1 1 61 61 ALA HB1 H 1 1.6010 0.02 . 1 . . . A 62 ALA HB1 . 18003 1 610 . 1 1 61 61 ALA HB2 H 1 1.6010 0.02 . 1 . . . A 62 ALA HB2 . 18003 1 611 . 1 1 61 61 ALA HB3 H 1 1.6010 0.02 . 1 . . . A 62 ALA HB3 . 18003 1 612 . 1 1 61 61 ALA C C 13 180.6350 0.40 . 1 . . . A 62 ALA C . 18003 1 613 . 1 1 61 61 ALA CA C 13 54.2580 0.40 . 1 . . . A 62 ALA CA . 18003 1 614 . 1 1 61 61 ALA CB C 13 18.6230 0.40 . 1 . . . A 62 ALA CB . 18003 1 615 . 1 1 61 61 ALA N N 15 126.0690 0.40 . 1 . . . A 62 ALA N . 18003 1 616 . 1 1 62 62 VAL H H 1 7.9710 0.02 . 1 . . . A 63 VAL H . 18003 1 617 . 1 1 62 62 VAL HB H 1 1.6040 0.02 . 1 . . . A 63 VAL HB . 18003 1 618 . 1 1 62 62 VAL HG11 H 1 0.8820 0.02 . 2 . . . A 63 VAL HG11 . 18003 1 619 . 1 1 62 62 VAL HG12 H 1 0.8820 0.02 . 2 . . . A 63 VAL HG12 . 18003 1 620 . 1 1 62 62 VAL HG13 H 1 0.8820 0.02 . 2 . . . A 63 VAL HG13 . 18003 1 621 . 1 1 62 62 VAL HG21 H 1 0.8820 0.02 . 2 . . . A 63 VAL HG21 . 18003 1 622 . 1 1 62 62 VAL HG22 H 1 0.8820 0.02 . 2 . . . A 63 VAL HG22 . 18003 1 623 . 1 1 62 62 VAL HG23 H 1 0.8820 0.02 . 2 . . . A 63 VAL HG23 . 18003 1 624 . 1 1 62 62 VAL C C 13 177.8420 0.40 . 1 . . . A 63 VAL C . 18003 1 625 . 1 1 62 62 VAL CA C 13 66.7980 0.40 . 1 . . . A 63 VAL CA . 18003 1 626 . 1 1 62 62 VAL CB C 13 31.2640 0.40 . 1 . . . A 63 VAL CB . 18003 1 627 . 1 1 62 62 VAL CG1 C 13 22.7640 0.40 . 2 . . . A 63 VAL CG1 . 18003 1 628 . 1 1 62 62 VAL CG2 C 13 22.7640 0.40 . 2 . . . A 63 VAL CG2 . 18003 1 629 . 1 1 62 62 VAL N N 15 119.2520 0.40 . 1 . . . A 63 VAL N . 18003 1 630 . 1 1 63 63 SER H H 1 8.7430 0.02 . 1 . . . A 64 SER H . 18003 1 631 . 1 1 63 63 SER HA H 1 4.0340 0.02 . 1 . . . A 64 SER HA . 18003 1 632 . 1 1 63 63 SER HB2 H 1 4.0340 0.02 . 2 . . . A 64 SER HB2 . 18003 1 633 . 1 1 63 63 SER HB3 H 1 4.0340 0.02 . 2 . . . A 64 SER HB3 . 18003 1 634 . 1 1 63 63 SER C C 13 176.8350 0.40 . 1 . . . A 64 SER C . 18003 1 635 . 1 1 63 63 SER CA C 13 62.4000 0.40 . 1 . . . A 64 SER CA . 18003 1 636 . 1 1 63 63 SER CB C 13 62.7520 0.40 . 1 . . . A 64 SER CB . 18003 1 637 . 1 1 63 63 SER N N 15 115.4940 0.40 . 1 . . . A 64 SER N . 18003 1 638 . 1 1 64 64 HIS H H 1 7.8040 0.02 . 1 . . . A 65 HIS H . 18003 1 639 . 1 1 64 64 HIS HA H 1 4.3600 0.02 . 1 . . . A 65 HIS HA . 18003 1 640 . 1 1 64 64 HIS HB2 H 1 3.2600 0.02 . 2 . . . A 65 HIS HB2 . 18003 1 641 . 1 1 64 64 HIS HB3 H 1 3.2600 0.02 . 2 . . . A 65 HIS HB3 . 18003 1 642 . 1 1 64 64 HIS C C 13 177.7310 0.40 . 1 . . . A 65 HIS C . 18003 1 643 . 1 1 64 64 HIS CA C 13 59.9980 0.40 . 1 . . . A 65 HIS CA . 18003 1 644 . 1 1 64 64 HIS CB C 13 29.9340 0.40 . 1 . . . A 65 HIS CB . 18003 1 645 . 1 1 64 64 HIS N N 15 120.0100 0.40 . 1 . . . A 65 HIS N . 18003 1 646 . 1 1 65 65 GLN H H 1 7.7510 0.02 . 1 . . . A 66 GLN H . 18003 1 647 . 1 1 65 65 GLN HA H 1 4.0350 0.02 . 1 . . . A 66 GLN HA . 18003 1 648 . 1 1 65 65 GLN HG2 H 1 2.3000 0.02 . 2 . . . A 66 GLN HG2 . 18003 1 649 . 1 1 65 65 GLN HG3 H 1 2.3000 0.02 . 2 . . . A 66 GLN HG3 . 18003 1 650 . 1 1 65 65 GLN C C 13 179.0550 0.40 . 1 . . . A 66 GLN C . 18003 1 651 . 1 1 65 65 GLN CA C 13 57.5300 0.40 . 1 . . . A 66 GLN CA . 18003 1 652 . 1 1 65 65 GLN CG C 13 31.8190 0.40 . 1 . . . A 66 GLN CG . 18003 1 653 . 1 1 65 65 GLN N N 15 115.5900 0.40 . 1 . . . A 66 GLN N . 18003 1 654 . 1 1 66 66 LEU H H 1 8.6480 0.02 . 1 . . . A 67 LEU H . 18003 1 655 . 1 1 66 66 LEU HA H 1 3.9470 0.02 . 1 . . . A 67 LEU HA . 18003 1 656 . 1 1 66 66 LEU HB2 H 1 1.6740 0.02 . 2 . . . A 67 LEU HB2 . 18003 1 657 . 1 1 66 66 LEU HB3 H 1 1.6740 0.02 . 2 . . . A 67 LEU HB3 . 18003 1 658 . 1 1 66 66 LEU HD11 H 1 0.1340 0.02 . 2 . . . A 67 LEU HD11 . 18003 1 659 . 1 1 66 66 LEU HD12 H 1 0.1340 0.02 . 2 . . . A 67 LEU HD12 . 18003 1 660 . 1 1 66 66 LEU HD13 H 1 0.1340 0.02 . 2 . . . A 67 LEU HD13 . 18003 1 661 . 1 1 66 66 LEU HD21 H 1 0.6850 0.02 . 2 . . . A 67 LEU HD21 . 18003 1 662 . 1 1 66 66 LEU HD22 H 1 0.6850 0.02 . 2 . . . A 67 LEU HD22 . 18003 1 663 . 1 1 66 66 LEU HD23 H 1 0.6850 0.02 . 2 . . . A 67 LEU HD23 . 18003 1 664 . 1 1 66 66 LEU C C 13 178.3340 0.40 . 1 . . . A 67 LEU C . 18003 1 665 . 1 1 66 66 LEU CA C 13 57.8460 0.40 . 1 . . . A 67 LEU CA . 18003 1 666 . 1 1 66 66 LEU CB C 13 41.1030 0.40 . 1 . . . A 67 LEU CB . 18003 1 667 . 1 1 66 66 LEU N N 15 118.7460 0.40 . 1 . . . A 67 LEU N . 18003 1 668 . 1 1 67 67 ARG H H 1 7.6070 0.02 . 1 . . . A 68 ARG H . 18003 1 669 . 1 1 67 67 ARG HA H 1 3.9430 0.02 . 1 . . . A 68 ARG HA . 18003 1 670 . 1 1 67 67 ARG HB2 H 1 1.9180 0.02 . 2 . . . A 68 ARG HB2 . 18003 1 671 . 1 1 67 67 ARG HB3 H 1 1.9180 0.02 . 2 . . . A 68 ARG HB3 . 18003 1 672 . 1 1 67 67 ARG HG2 H 1 1.6160 0.02 . 2 . . . A 68 ARG HG2 . 18003 1 673 . 1 1 67 67 ARG HG3 H 1 1.6160 0.02 . 2 . . . A 68 ARG HG3 . 18003 1 674 . 1 1 67 67 ARG HD2 H 1 3.2260 0.02 . 2 . . . A 68 ARG HD2 . 18003 1 675 . 1 1 67 67 ARG HD3 H 1 3.2260 0.02 . 2 . . . A 68 ARG HD3 . 18003 1 676 . 1 1 67 67 ARG C C 13 178.8070 0.40 . 1 . . . A 68 ARG C . 18003 1 677 . 1 1 67 67 ARG CA C 13 59.3770 0.40 . 1 . . . A 68 ARG CA . 18003 1 678 . 1 1 67 67 ARG CB C 13 29.4750 0.40 . 1 . . . A 68 ARG CB . 18003 1 679 . 1 1 67 67 ARG CD C 13 43.5080 0.40 . 1 . . . A 68 ARG CD . 18003 1 680 . 1 1 67 67 ARG N N 15 119.6100 0.40 . 1 . . . A 68 ARG N . 18003 1 681 . 1 1 68 68 VAL H H 1 7.2590 0.02 . 1 . . . A 69 VAL H . 18003 1 682 . 1 1 68 68 VAL HA H 1 3.6330 0.02 . 1 . . . A 69 VAL HA . 18003 1 683 . 1 1 68 68 VAL HG11 H 1 0.8680 0.02 . 2 . . . A 69 VAL HG11 . 18003 1 684 . 1 1 68 68 VAL HG12 H 1 0.8680 0.02 . 2 . . . A 69 VAL HG12 . 18003 1 685 . 1 1 68 68 VAL HG13 H 1 0.8680 0.02 . 2 . . . A 69 VAL HG13 . 18003 1 686 . 1 1 68 68 VAL HG21 H 1 0.8680 0.02 . 2 . . . A 69 VAL HG21 . 18003 1 687 . 1 1 68 68 VAL HG22 H 1 0.8680 0.02 . 2 . . . A 69 VAL HG22 . 18003 1 688 . 1 1 68 68 VAL HG23 H 1 0.8680 0.02 . 2 . . . A 69 VAL HG23 . 18003 1 689 . 1 1 68 68 VAL C C 13 178.6900 0.40 . 1 . . . A 69 VAL C . 18003 1 690 . 1 1 68 68 VAL CA C 13 66.4540 0.40 . 1 . . . A 69 VAL CA . 18003 1 691 . 1 1 68 68 VAL CB C 13 31.7790 0.40 . 1 . . . A 69 VAL CB . 18003 1 692 . 1 1 68 68 VAL CG1 C 13 21.1550 0.40 . 2 . . . A 69 VAL CG1 . 18003 1 693 . 1 1 68 68 VAL CG2 C 13 21.1550 0.40 . 2 . . . A 69 VAL CG2 . 18003 1 694 . 1 1 68 68 VAL N N 15 119.7190 0.40 . 1 . . . A 69 VAL N . 18003 1 695 . 1 1 69 69 LEU H H 1 8.3750 0.02 . 1 . . . A 70 LEU H . 18003 1 696 . 1 1 69 69 LEU HA H 1 3.9480 0.02 . 1 . . . A 70 LEU HA . 18003 1 697 . 1 1 69 69 LEU HB2 H 1 1.9110 0.02 . 2 . . . A 70 LEU HB2 . 18003 1 698 . 1 1 69 69 LEU HB3 H 1 1.9110 0.02 . 2 . . . A 70 LEU HB3 . 18003 1 699 . 1 1 69 69 LEU HD11 H 1 0.8300 0.02 . 2 . . . A 70 LEU HD11 . 18003 1 700 . 1 1 69 69 LEU HD12 H 1 0.8300 0.02 . 2 . . . A 70 LEU HD12 . 18003 1 701 . 1 1 69 69 LEU HD13 H 1 0.8300 0.02 . 2 . . . A 70 LEU HD13 . 18003 1 702 . 1 1 69 69 LEU HD21 H 1 0.8300 0.02 . 2 . . . A 70 LEU HD21 . 18003 1 703 . 1 1 69 69 LEU HD22 H 1 0.8300 0.02 . 2 . . . A 70 LEU HD22 . 18003 1 704 . 1 1 69 69 LEU HD23 H 1 0.8300 0.02 . 2 . . . A 70 LEU HD23 . 18003 1 705 . 1 1 69 69 LEU C C 13 179.1440 0.40 . 1 . . . A 70 LEU C . 18003 1 706 . 1 1 69 69 LEU CA C 13 57.7500 0.40 . 1 . . . A 70 LEU CA . 18003 1 707 . 1 1 69 69 LEU CB C 13 41.8600 0.40 . 1 . . . A 70 LEU CB . 18003 1 708 . 1 1 69 69 LEU CD1 C 13 24.6780 0.40 . 2 . . . A 70 LEU CD1 . 18003 1 709 . 1 1 69 69 LEU CD2 C 13 24.6780 0.40 . 2 . . . A 70 LEU CD2 . 18003 1 710 . 1 1 69 69 LEU N N 15 117.5320 0.40 . 1 . . . A 70 LEU N . 18003 1 711 . 1 1 70 70 ARG H H 1 8.8220 0.02 . 1 . . . A 71 ARG H . 18003 1 712 . 1 1 70 70 ARG HA H 1 3.9310 0.02 . 1 . . . A 71 ARG HA . 18003 1 713 . 1 1 70 70 ARG HG2 H 1 1.8890 0.02 . 2 . . . A 71 ARG HG2 . 18003 1 714 . 1 1 70 70 ARG HG3 H 1 1.8890 0.02 . 2 . . . A 71 ARG HG3 . 18003 1 715 . 1 1 70 70 ARG C C 13 180.4990 0.40 . 1 . . . A 71 ARG C . 18003 1 716 . 1 1 70 70 ARG CA C 13 58.7770 0.40 . 1 . . . A 71 ARG CA . 18003 1 717 . 1 1 70 70 ARG CB C 13 30.1550 0.40 . 1 . . . A 71 ARG CB . 18003 1 718 . 1 1 70 70 ARG CG C 13 27.1720 0.40 . 1 . . . A 71 ARG CG . 18003 1 719 . 1 1 70 70 ARG N N 15 122.4980 0.40 . 1 . . . A 71 ARG N . 18003 1 720 . 1 1 71 71 ASN H H 1 8.1440 0.02 . 1 . . . A 72 ASN H . 18003 1 721 . 1 1 71 71 ASN HB2 H 1 2.9920 0.02 . 2 . . . A 72 ASN HB2 . 18003 1 722 . 1 1 71 71 ASN HB3 H 1 2.9920 0.02 . 2 . . . A 72 ASN HB3 . 18003 1 723 . 1 1 71 71 ASN C C 13 177.1700 0.40 . 1 . . . A 72 ASN C . 18003 1 724 . 1 1 71 71 ASN CA C 13 55.7770 0.40 . 1 . . . A 72 ASN CA . 18003 1 725 . 1 1 71 71 ASN CB C 13 37.7340 0.40 . 1 . . . A 72 ASN CB . 18003 1 726 . 1 1 71 71 ASN N N 15 121.8160 0.40 . 1 . . . A 72 ASN N . 18003 1 727 . 1 1 72 72 LEU H H 1 7.8040 0.02 . 1 . . . A 73 LEU H . 18003 1 728 . 1 1 72 72 LEU HA H 1 4.3450 0.02 . 1 . . . A 73 LEU HA . 18003 1 729 . 1 1 72 72 LEU HB2 H 1 1.7240 0.02 . 2 . . . A 73 LEU HB2 . 18003 1 730 . 1 1 72 72 LEU HB3 H 1 1.7240 0.02 . 2 . . . A 73 LEU HB3 . 18003 1 731 . 1 1 72 72 LEU HD11 H 1 0.8340 0.02 . 2 . . . A 73 LEU HD11 . 18003 1 732 . 1 1 72 72 LEU HD12 H 1 0.8340 0.02 . 2 . . . A 73 LEU HD12 . 18003 1 733 . 1 1 72 72 LEU HD13 H 1 0.8340 0.02 . 2 . . . A 73 LEU HD13 . 18003 1 734 . 1 1 72 72 LEU HD21 H 1 0.8340 0.02 . 2 . . . A 73 LEU HD21 . 18003 1 735 . 1 1 72 72 LEU HD22 H 1 0.8340 0.02 . 2 . . . A 73 LEU HD22 . 18003 1 736 . 1 1 72 72 LEU HD23 H 1 0.8340 0.02 . 2 . . . A 73 LEU HD23 . 18003 1 737 . 1 1 72 72 LEU C C 13 176.9840 0.40 . 1 . . . A 73 LEU C . 18003 1 738 . 1 1 72 72 LEU CA C 13 55.1250 0.40 . 1 . . . A 73 LEU CA . 18003 1 739 . 1 1 72 72 LEU CB C 13 43.2690 0.40 . 1 . . . A 73 LEU CB . 18003 1 740 . 1 1 72 72 LEU CD1 C 13 26.1660 0.40 . 2 . . . A 73 LEU CD1 . 18003 1 741 . 1 1 72 72 LEU CD2 C 13 26.1660 0.40 . 2 . . . A 73 LEU CD2 . 18003 1 742 . 1 1 72 72 LEU N N 15 117.0440 0.40 . 1 . . . A 73 LEU N . 18003 1 743 . 1 1 73 73 GLY H H 1 7.8510 0.02 . 1 . . . A 74 GLY H . 18003 1 744 . 1 1 73 73 GLY HA2 H 1 3.7330 0.02 . 2 . . . A 74 GLY HA2 . 18003 1 745 . 1 1 73 73 GLY HA3 H 1 3.7330 0.02 . 2 . . . A 74 GLY HA3 . 18003 1 746 . 1 1 73 73 GLY C C 13 173.2660 0.40 . 1 . . . A 74 GLY C . 18003 1 747 . 1 1 73 73 GLY CA C 13 46.0220 0.40 . 1 . . . A 74 GLY CA . 18003 1 748 . 1 1 73 73 GLY N N 15 106.6210 0.40 . 1 . . . A 74 GLY N . 18003 1 749 . 1 1 74 74 LEU H H 1 7.8080 0.02 . 1 . . . A 75 LEU H . 18003 1 750 . 1 1 74 74 LEU HB2 H 1 1.5770 0.02 . 2 . . . A 75 LEU HB2 . 18003 1 751 . 1 1 74 74 LEU HB3 H 1 1.5770 0.02 . 2 . . . A 75 LEU HB3 . 18003 1 752 . 1 1 74 74 LEU HD11 H 1 0.8140 0.02 . 2 . . . A 75 LEU HD11 . 18003 1 753 . 1 1 74 74 LEU HD12 H 1 0.8140 0.02 . 2 . . . A 75 LEU HD12 . 18003 1 754 . 1 1 74 74 LEU HD13 H 1 0.8140 0.02 . 2 . . . A 75 LEU HD13 . 18003 1 755 . 1 1 74 74 LEU HD21 H 1 0.8140 0.02 . 2 . . . A 75 LEU HD21 . 18003 1 756 . 1 1 74 74 LEU HD22 H 1 0.8140 0.02 . 2 . . . A 75 LEU HD22 . 18003 1 757 . 1 1 74 74 LEU HD23 H 1 0.8140 0.02 . 2 . . . A 75 LEU HD23 . 18003 1 758 . 1 1 74 74 LEU C C 13 177.5620 0.40 . 1 . . . A 75 LEU C . 18003 1 759 . 1 1 74 74 LEU CA C 13 56.0310 0.40 . 1 . . . A 75 LEU CA . 18003 1 760 . 1 1 74 74 LEU CB C 13 44.4440 0.40 . 1 . . . A 75 LEU CB . 18003 1 761 . 1 1 74 74 LEU CG C 13 27.0270 0.40 . 1 . . . A 75 LEU CG . 18003 1 762 . 1 1 74 74 LEU CD1 C 13 27.0270 0.40 . 2 . . . A 75 LEU CD1 . 18003 1 763 . 1 1 74 74 LEU CD2 C 13 23.8710 0.40 . 2 . . . A 75 LEU CD2 . 18003 1 764 . 1 1 74 74 LEU N N 15 114.5820 0.40 . 1 . . . A 75 LEU N . 18003 1 765 . 1 1 75 75 VAL H H 1 7.0790 0.02 . 1 . . . A 76 VAL H . 18003 1 766 . 1 1 75 75 VAL HA H 1 4.5270 0.02 . 1 . . . A 76 VAL HA . 18003 1 767 . 1 1 75 75 VAL HB H 1 2.0120 0.02 . 1 . . . A 76 VAL HB . 18003 1 768 . 1 1 75 75 VAL HG11 H 1 0.7290 0.02 . 2 . . . A 76 VAL HG11 . 18003 1 769 . 1 1 75 75 VAL HG12 H 1 0.7290 0.02 . 2 . . . A 76 VAL HG12 . 18003 1 770 . 1 1 75 75 VAL HG13 H 1 0.7290 0.02 . 2 . . . A 76 VAL HG13 . 18003 1 771 . 1 1 75 75 VAL HG21 H 1 0.7290 0.02 . 2 . . . A 76 VAL HG21 . 18003 1 772 . 1 1 75 75 VAL HG22 H 1 0.7290 0.02 . 2 . . . A 76 VAL HG22 . 18003 1 773 . 1 1 75 75 VAL HG23 H 1 0.7290 0.02 . 2 . . . A 76 VAL HG23 . 18003 1 774 . 1 1 75 75 VAL C C 13 173.9220 0.40 . 1 . . . A 76 VAL C . 18003 1 775 . 1 1 75 75 VAL CA C 13 57.9430 0.40 . 1 . . . A 76 VAL CA . 18003 1 776 . 1 1 75 75 VAL CB C 13 36.0290 0.40 . 1 . . . A 76 VAL CB . 18003 1 777 . 1 1 75 75 VAL CG1 C 13 21.7170 0.40 . 2 . . . A 76 VAL CG1 . 18003 1 778 . 1 1 75 75 VAL CG2 C 13 21.7170 0.40 . 2 . . . A 76 VAL CG2 . 18003 1 779 . 1 1 75 75 VAL N N 15 110.9800 0.40 . 1 . . . A 76 VAL N . 18003 1 780 . 1 1 76 76 VAL H H 1 9.0240 0.02 . 1 . . . A 77 VAL H . 18003 1 781 . 1 1 76 76 VAL HA H 1 5.3020 0.02 . 1 . . . A 77 VAL HA . 18003 1 782 . 1 1 76 76 VAL HB H 1 1.9940 0.02 . 1 . . . A 77 VAL HB . 18003 1 783 . 1 1 76 76 VAL HG11 H 1 0.8270 0.02 . 2 . . . A 77 VAL HG11 . 18003 1 784 . 1 1 76 76 VAL HG12 H 1 0.8270 0.02 . 2 . . . A 77 VAL HG12 . 18003 1 785 . 1 1 76 76 VAL HG13 H 1 0.8270 0.02 . 2 . . . A 77 VAL HG13 . 18003 1 786 . 1 1 76 76 VAL HG21 H 1 0.8270 0.02 . 2 . . . A 77 VAL HG21 . 18003 1 787 . 1 1 76 76 VAL HG22 H 1 0.8270 0.02 . 2 . . . A 77 VAL HG22 . 18003 1 788 . 1 1 76 76 VAL HG23 H 1 0.8270 0.02 . 2 . . . A 77 VAL HG23 . 18003 1 789 . 1 1 76 76 VAL C C 13 174.0410 0.40 . 1 . . . A 77 VAL C . 18003 1 790 . 1 1 76 76 VAL CA C 13 59.9990 0.40 . 1 . . . A 77 VAL CA . 18003 1 791 . 1 1 76 76 VAL CG1 C 13 20.8060 0.40 . 2 . . . A 77 VAL CG1 . 18003 1 792 . 1 1 76 76 VAL CG2 C 13 20.8060 0.40 . 2 . . . A 77 VAL CG2 . 18003 1 793 . 1 1 76 76 VAL N N 15 118.6190 0.40 . 1 . . . A 77 VAL N . 18003 1 794 . 1 1 77 77 GLY H H 1 8.2650 0.02 . 1 . . . A 78 GLY H . 18003 1 795 . 1 1 77 77 GLY HA2 H 1 4.4510 0.02 . 2 . . . A 78 GLY HA2 . 18003 1 796 . 1 1 77 77 GLY HA3 H 1 4.4510 0.02 . 2 . . . A 78 GLY HA3 . 18003 1 797 . 1 1 77 77 GLY C C 13 172.2250 0.40 . 1 . . . A 78 GLY C . 18003 1 798 . 1 1 77 77 GLY CA C 13 44.4620 0.40 . 1 . . . A 78 GLY CA . 18003 1 799 . 1 1 77 77 GLY N N 15 109.4510 0.40 . 1 . . . A 78 GLY N . 18003 1 800 . 1 1 78 78 ASP H H 1 8.4790 0.02 . 1 . . . A 79 ASP H . 18003 1 801 . 1 1 78 78 ASP HA H 1 4.7460 0.02 . 1 . . . A 79 ASP HA . 18003 1 802 . 1 1 78 78 ASP HB2 H 1 2.3980 0.02 . 2 . . . A 79 ASP HB2 . 18003 1 803 . 1 1 78 78 ASP HB3 H 1 2.3980 0.02 . 2 . . . A 79 ASP HB3 . 18003 1 804 . 1 1 78 78 ASP C C 13 174.8170 0.40 . 1 . . . A 79 ASP C . 18003 1 805 . 1 1 78 78 ASP CA C 13 53.1110 0.40 . 1 . . . A 79 ASP CA . 18003 1 806 . 1 1 78 78 ASP CB C 13 43.6550 0.40 . 1 . . . A 79 ASP CB . 18003 1 807 . 1 1 78 78 ASP N N 15 122.8260 0.40 . 1 . . . A 79 ASP N . 18003 1 808 . 1 1 79 79 ARG H H 1 8.5800 0.02 . 1 . . . A 80 ARG H . 18003 1 809 . 1 1 79 79 ARG HA H 1 4.4120 0.02 . 1 . . . A 80 ARG HA . 18003 1 810 . 1 1 79 79 ARG HB2 H 1 1.7660 0.02 . 2 . . . A 80 ARG HB2 . 18003 1 811 . 1 1 79 79 ARG HB3 H 1 1.7660 0.02 . 2 . . . A 80 ARG HB3 . 18003 1 812 . 1 1 79 79 ARG HG2 H 1 1.5250 0.02 . 2 . . . A 80 ARG HG2 . 18003 1 813 . 1 1 79 79 ARG HG3 H 1 1.5250 0.02 . 2 . . . A 80 ARG HG3 . 18003 1 814 . 1 1 79 79 ARG HD2 H 1 3.1440 0.02 . 2 . . . A 80 ARG HD2 . 18003 1 815 . 1 1 79 79 ARG HD3 H 1 3.1440 0.02 . 2 . . . A 80 ARG HD3 . 18003 1 816 . 1 1 79 79 ARG C C 13 175.5460 0.40 . 1 . . . A 80 ARG C . 18003 1 817 . 1 1 79 79 ARG CA C 13 56.3180 0.40 . 1 . . . A 80 ARG CA . 18003 1 818 . 1 1 79 79 ARG CB C 13 30.3760 0.40 . 1 . . . A 80 ARG CB . 18003 1 819 . 1 1 79 79 ARG CG C 13 27.0910 0.40 . 1 . . . A 80 ARG CG . 18003 1 820 . 1 1 79 79 ARG CD C 13 43.0740 0.40 . 1 . . . A 80 ARG CD . 18003 1 821 . 1 1 79 79 ARG N N 15 122.6130 0.40 . 1 . . . A 80 ARG N . 18003 1 822 . 1 1 80 80 ALA H H 1 8.3960 0.02 . 1 . . . A 81 ALA H . 18003 1 823 . 1 1 80 80 ALA HA H 1 4.4520 0.02 . 1 . . . A 81 ALA HA . 18003 1 824 . 1 1 80 80 ALA HB1 H 1 1.2130 0.02 . 1 . . . A 81 ALA HB1 . 18003 1 825 . 1 1 80 80 ALA HB2 H 1 1.2130 0.02 . 1 . . . A 81 ALA HB2 . 18003 1 826 . 1 1 80 80 ALA HB3 H 1 1.2130 0.02 . 1 . . . A 81 ALA HB3 . 18003 1 827 . 1 1 80 80 ALA C C 13 177.1260 0.40 . 1 . . . A 81 ALA C . 18003 1 828 . 1 1 80 80 ALA CA C 13 51.6200 0.40 . 1 . . . A 81 ALA CA . 18003 1 829 . 1 1 80 80 ALA CB C 13 19.2600 0.40 . 1 . . . A 81 ALA CB . 18003 1 830 . 1 1 80 80 ALA N N 15 129.2630 0.40 . 1 . . . A 81 ALA N . 18003 1 831 . 1 1 81 81 GLY H H 1 8.6410 0.02 . 1 . . . A 82 GLY H . 18003 1 832 . 1 1 81 81 GLY HA2 H 1 3.7180 0.02 . 2 . . . A 82 GLY HA2 . 18003 1 833 . 1 1 81 81 GLY HA3 H 1 4.0000 0.02 . 2 . . . A 82 GLY HA3 . 18003 1 834 . 1 1 81 81 GLY C C 13 174.8560 0.40 . 1 . . . A 82 GLY C . 18003 1 835 . 1 1 81 81 GLY CA C 13 46.3920 0.40 . 1 . . . A 82 GLY CA . 18003 1 836 . 1 1 81 81 GLY N N 15 112.7390 0.40 . 1 . . . A 82 GLY N . 18003 1 837 . 1 1 82 82 ARG H H 1 8.7280 0.02 . 1 . . . A 83 ARG H . 18003 1 838 . 1 1 82 82 ARG HA H 1 4.3230 0.02 . 1 . . . A 83 ARG HA . 18003 1 839 . 1 1 82 82 ARG HB2 H 1 1.9840 0.02 . 2 . . . A 83 ARG HB2 . 18003 1 840 . 1 1 82 82 ARG HB3 H 1 1.9840 0.02 . 2 . . . A 83 ARG HB3 . 18003 1 841 . 1 1 82 82 ARG HG2 H 1 1.6940 0.02 . 2 . . . A 83 ARG HG2 . 18003 1 842 . 1 1 82 82 ARG HG3 H 1 1.6940 0.02 . 2 . . . A 83 ARG HG3 . 18003 1 843 . 1 1 82 82 ARG HD2 H 1 3.2120 0.02 . 2 . . . A 83 ARG HD2 . 18003 1 844 . 1 1 82 82 ARG HD3 H 1 3.2120 0.02 . 2 . . . A 83 ARG HD3 . 18003 1 845 . 1 1 82 82 ARG C C 13 176.3390 0.40 . 1 . . . A 83 ARG C . 18003 1 846 . 1 1 82 82 ARG CA C 13 56.6900 0.40 . 1 . . . A 83 ARG CA . 18003 1 847 . 1 1 82 82 ARG CB C 13 30.2210 0.40 . 1 . . . A 83 ARG CB . 18003 1 848 . 1 1 82 82 ARG CG C 13 26.6780 0.40 . 1 . . . A 83 ARG CG . 18003 1 849 . 1 1 82 82 ARG CD C 13 43.2830 0.40 . 1 . . . A 83 ARG CD . 18003 1 850 . 1 1 82 82 ARG N N 15 124.7800 0.40 . 1 . . . A 83 ARG N . 18003 1 851 . 1 1 83 83 SER H H 1 7.8210 0.02 . 1 . . . A 84 SER H . 18003 1 852 . 1 1 83 83 SER HB2 H 1 3.7990 0.02 . 2 . . . A 84 SER HB2 . 18003 1 853 . 1 1 83 83 SER HB3 H 1 3.7990 0.02 . 2 . . . A 84 SER HB3 . 18003 1 854 . 1 1 83 83 SER C C 13 172.8690 0.40 . 1 . . . A 84 SER C . 18003 1 855 . 1 1 83 83 SER CA C 13 56.8340 0.40 . 1 . . . A 84 SER CA . 18003 1 856 . 1 1 83 83 SER CB C 13 65.1910 0.40 . 1 . . . A 84 SER CB . 18003 1 857 . 1 1 83 83 SER N N 15 114.6780 0.40 . 1 . . . A 84 SER N . 18003 1 858 . 1 1 84 84 ILE H H 1 8.2320 0.02 . 1 . . . A 85 ILE H . 18003 1 859 . 1 1 84 84 ILE HB H 1 1.6640 0.02 . 1 . . . A 85 ILE HB . 18003 1 860 . 1 1 84 84 ILE HG12 H 1 1.0430 0.02 . 2 . . . A 85 ILE HG12 . 18003 1 861 . 1 1 84 84 ILE HG13 H 1 1.0430 0.02 . 2 . . . A 85 ILE HG13 . 18003 1 862 . 1 1 84 84 ILE HG21 H 1 0.7570 0.02 . 1 . . . A 85 ILE HG21 . 18003 1 863 . 1 1 84 84 ILE HG22 H 1 0.7570 0.02 . 1 . . . A 85 ILE HG22 . 18003 1 864 . 1 1 84 84 ILE HG23 H 1 0.7570 0.02 . 1 . . . A 85 ILE HG23 . 18003 1 865 . 1 1 84 84 ILE HD11 H 1 0.3330 0.02 . 1 . . . A 85 ILE HD11 . 18003 1 866 . 1 1 84 84 ILE HD12 H 1 0.3330 0.02 . 1 . . . A 85 ILE HD12 . 18003 1 867 . 1 1 84 84 ILE HD13 H 1 0.3330 0.02 . 1 . . . A 85 ILE HD13 . 18003 1 868 . 1 1 84 84 ILE C C 13 175.5210 0.40 . 1 . . . A 85 ILE C . 18003 1 869 . 1 1 84 84 ILE CA C 13 60.2350 0.40 . 1 . . . A 85 ILE CA . 18003 1 870 . 1 1 84 84 ILE CB C 13 38.1360 0.40 . 1 . . . A 85 ILE CB . 18003 1 871 . 1 1 84 84 ILE CG1 C 13 27.4360 0.40 . 1 . . . A 85 ILE CG1 . 18003 1 872 . 1 1 84 84 ILE CD1 C 13 16.5910 0.40 . 1 . . . A 85 ILE CD1 . 18003 1 873 . 1 1 84 84 ILE N N 15 122.9960 0.40 . 1 . . . A 85 ILE N . 18003 1 874 . 1 1 85 85 VAL H H 1 8.4950 0.02 . 1 . . . A 86 VAL H . 18003 1 875 . 1 1 85 85 VAL HA H 1 4.3100 0.02 . 1 . . . A 86 VAL HA . 18003 1 876 . 1 1 85 85 VAL HB H 1 1.6660 0.02 . 1 . . . A 86 VAL HB . 18003 1 877 . 1 1 85 85 VAL HG11 H 1 0.7450 0.02 . 2 . . . A 86 VAL HG11 . 18003 1 878 . 1 1 85 85 VAL HG12 H 1 0.7450 0.02 . 2 . . . A 86 VAL HG12 . 18003 1 879 . 1 1 85 85 VAL HG13 H 1 0.7450 0.02 . 2 . . . A 86 VAL HG13 . 18003 1 880 . 1 1 85 85 VAL HG21 H 1 0.7450 0.02 . 2 . . . A 86 VAL HG21 . 18003 1 881 . 1 1 85 85 VAL HG22 H 1 0.7450 0.02 . 2 . . . A 86 VAL HG22 . 18003 1 882 . 1 1 85 85 VAL HG23 H 1 0.7450 0.02 . 2 . . . A 86 VAL HG23 . 18003 1 883 . 1 1 85 85 VAL C C 13 174.8180 0.40 . 1 . . . A 86 VAL C . 18003 1 884 . 1 1 85 85 VAL CA C 13 59.7380 0.40 . 1 . . . A 86 VAL CA . 18003 1 885 . 1 1 85 85 VAL CB C 13 34.2210 0.40 . 1 . . . A 86 VAL CB . 18003 1 886 . 1 1 85 85 VAL CG1 C 13 20.5560 0.40 . 2 . . . A 86 VAL CG1 . 18003 1 887 . 1 1 85 85 VAL CG2 C 13 20.5560 0.40 . 2 . . . A 86 VAL CG2 . 18003 1 888 . 1 1 85 85 VAL N N 15 121.8450 0.40 . 1 . . . A 86 VAL N . 18003 1 889 . 1 1 86 86 TYR H H 1 8.4880 0.02 . 1 . . . A 87 TYR H . 18003 1 890 . 1 1 86 86 TYR HA H 1 4.3190 0.02 . 1 . . . A 87 TYR HA . 18003 1 891 . 1 1 86 86 TYR HB2 H 1 2.7220 0.02 . 2 . . . A 87 TYR HB2 . 18003 1 892 . 1 1 86 86 TYR HB3 H 1 2.7220 0.02 . 2 . . . A 87 TYR HB3 . 18003 1 893 . 1 1 86 86 TYR C C 13 173.8080 0.40 . 1 . . . A 87 TYR C . 18003 1 894 . 1 1 86 86 TYR CA C 13 57.4650 0.40 . 1 . . . A 87 TYR CA . 18003 1 895 . 1 1 86 86 TYR CB C 13 41.4800 0.40 . 1 . . . A 87 TYR CB . 18003 1 896 . 1 1 86 86 TYR N N 15 125.0200 0.40 . 1 . . . A 87 TYR N . 18003 1 897 . 1 1 87 87 SER H H 1 8.7180 0.02 . 1 . . . A 88 SER H . 18003 1 898 . 1 1 87 87 SER HA H 1 5.4140 0.02 . 1 . . . A 88 SER HA . 18003 1 899 . 1 1 87 87 SER HB2 H 1 3.7210 0.02 . 2 . . . A 88 SER HB2 . 18003 1 900 . 1 1 87 87 SER HB3 H 1 3.7210 0.02 . 2 . . . A 88 SER HB3 . 18003 1 901 . 1 1 87 87 SER C C 13 174.6930 0.40 . 1 . . . A 88 SER C . 18003 1 902 . 1 1 87 87 SER CA C 13 56.1130 0.40 . 1 . . . A 88 SER CA . 18003 1 903 . 1 1 87 87 SER CB C 13 66.3090 0.40 . 1 . . . A 88 SER CB . 18003 1 904 . 1 1 87 87 SER N N 15 110.6810 0.40 . 1 . . . A 88 SER N . 18003 1 905 . 1 1 88 88 LEU H H 1 9.0340 0.02 . 1 . . . A 89 LEU H . 18003 1 906 . 1 1 88 88 LEU HA H 1 4.9270 0.02 . 1 . . . A 89 LEU HA . 18003 1 907 . 1 1 88 88 LEU HD11 H 1 0.8620 0.02 . 2 . . . A 89 LEU HD11 . 18003 1 908 . 1 1 88 88 LEU HD12 H 1 0.8620 0.02 . 2 . . . A 89 LEU HD12 . 18003 1 909 . 1 1 88 88 LEU HD13 H 1 0.8620 0.02 . 2 . . . A 89 LEU HD13 . 18003 1 910 . 1 1 88 88 LEU HD21 H 1 0.8620 0.02 . 2 . . . A 89 LEU HD21 . 18003 1 911 . 1 1 88 88 LEU HD22 H 1 0.8620 0.02 . 2 . . . A 89 LEU HD22 . 18003 1 912 . 1 1 88 88 LEU HD23 H 1 0.8620 0.02 . 2 . . . A 89 LEU HD23 . 18003 1 913 . 1 1 88 88 LEU C C 13 179.0310 0.40 . 1 . . . A 89 LEU C . 18003 1 914 . 1 1 88 88 LEU CA C 13 55.3250 0.40 . 1 . . . A 89 LEU CA . 18003 1 915 . 1 1 88 88 LEU CB C 13 41.7200 0.40 . 1 . . . A 89 LEU CB . 18003 1 916 . 1 1 88 88 LEU N N 15 119.6120 0.40 . 1 . . . A 89 LEU N . 18003 1 917 . 1 1 89 89 TYR H H 1 8.0750 0.02 . 1 . . . A 90 TYR H . 18003 1 918 . 1 1 89 89 TYR HA H 1 4.6220 0.02 . 1 . . . A 90 TYR HA . 18003 1 919 . 1 1 89 89 TYR HB2 H 1 2.7180 0.02 . 2 . . . A 90 TYR HB2 . 18003 1 920 . 1 1 89 89 TYR HB3 H 1 2.7180 0.02 . 2 . . . A 90 TYR HB3 . 18003 1 921 . 1 1 89 89 TYR CA C 13 61.7120 0.40 . 1 . . . A 90 TYR CA . 18003 1 922 . 1 1 89 89 TYR N N 15 120.5400 0.40 . 1 . . . A 90 TYR N . 18003 1 923 . 1 1 92 92 HIS C C 13 177.8500 0.40 . 1 . . . A 93 HIS C . 18003 1 924 . 1 1 93 93 VAL H H 1 8.1640 0.02 . 1 . . . A 94 VAL H . 18003 1 925 . 1 1 93 93 VAL HA H 1 3.5010 0.02 . 1 . . . A 94 VAL HA . 18003 1 926 . 1 1 93 93 VAL HB H 1 2.2500 0.02 . 1 . . . A 94 VAL HB . 18003 1 927 . 1 1 93 93 VAL HG11 H 1 1.0490 0.02 . 2 . . . A 94 VAL HG11 . 18003 1 928 . 1 1 93 93 VAL HG12 H 1 1.0490 0.02 . 2 . . . A 94 VAL HG12 . 18003 1 929 . 1 1 93 93 VAL HG13 H 1 1.0490 0.02 . 2 . . . A 94 VAL HG13 . 18003 1 930 . 1 1 93 93 VAL HG21 H 1 1.0490 0.02 . 2 . . . A 94 VAL HG21 . 18003 1 931 . 1 1 93 93 VAL HG22 H 1 1.0490 0.02 . 2 . . . A 94 VAL HG22 . 18003 1 932 . 1 1 93 93 VAL HG23 H 1 1.0490 0.02 . 2 . . . A 94 VAL HG23 . 18003 1 933 . 1 1 93 93 VAL C C 13 176.7850 0.40 . 1 . . . A 94 VAL C . 18003 1 934 . 1 1 93 93 VAL CA C 13 66.6660 0.40 . 1 . . . A 94 VAL CA . 18003 1 935 . 1 1 93 93 VAL CB C 13 31.6370 0.40 . 1 . . . A 94 VAL CB . 18003 1 936 . 1 1 93 93 VAL CG1 C 13 22.0200 0.40 . 2 . . . A 94 VAL CG1 . 18003 1 937 . 1 1 93 93 VAL CG2 C 13 22.0200 0.40 . 2 . . . A 94 VAL CG2 . 18003 1 938 . 1 1 93 93 VAL N N 15 120.2110 0.40 . 1 . . . A 94 VAL N . 18003 1 939 . 1 1 94 94 ALA H H 1 6.9420 0.02 . 1 . . . A 95 ALA H . 18003 1 940 . 1 1 94 94 ALA HA H 1 3.7900 0.02 . 1 . . . A 95 ALA HA . 18003 1 941 . 1 1 94 94 ALA HB1 H 1 1.4270 0.02 . 1 . . . A 95 ALA HB1 . 18003 1 942 . 1 1 94 94 ALA HB2 H 1 1.4270 0.02 . 1 . . . A 95 ALA HB2 . 18003 1 943 . 1 1 94 94 ALA HB3 H 1 1.4270 0.02 . 1 . . . A 95 ALA HB3 . 18003 1 944 . 1 1 94 94 ALA C C 13 177.9790 0.40 . 1 . . . A 95 ALA C . 18003 1 945 . 1 1 94 94 ALA CA C 13 55.4790 0.40 . 1 . . . A 95 ALA CA . 18003 1 946 . 1 1 94 94 ALA CB C 13 18.1100 0.40 . 1 . . . A 95 ALA CB . 18003 1 947 . 1 1 94 94 ALA N N 15 119.2210 0.40 . 1 . . . A 95 ALA N . 18003 1 948 . 1 1 95 95 GLN H H 1 7.7950 0.02 . 1 . . . A 96 GLN H . 18003 1 949 . 1 1 95 95 GLN HA H 1 4.0350 0.02 . 1 . . . A 96 GLN HA . 18003 1 950 . 1 1 95 95 GLN HB2 H 1 2.1390 0.02 . 2 . . . A 96 GLN HB2 . 18003 1 951 . 1 1 95 95 GLN HB3 H 1 2.1390 0.02 . 2 . . . A 96 GLN HB3 . 18003 1 952 . 1 1 95 95 GLN HG2 H 1 2.4340 0.02 . 2 . . . A 96 GLN HG2 . 18003 1 953 . 1 1 95 95 GLN HG3 H 1 2.4340 0.02 . 2 . . . A 96 GLN HG3 . 18003 1 954 . 1 1 95 95 GLN C C 13 177.9930 0.40 . 1 . . . A 96 GLN C . 18003 1 955 . 1 1 95 95 GLN CA C 13 58.8420 0.40 . 1 . . . A 96 GLN CA . 18003 1 956 . 1 1 95 95 GLN CB C 13 28.0290 0.40 . 1 . . . A 96 GLN CB . 18003 1 957 . 1 1 95 95 GLN N N 15 115.4160 0.40 . 1 . . . A 96 GLN N . 18003 1 958 . 1 1 96 96 LEU H H 1 8.1970 0.02 . 1 . . . A 97 LEU H . 18003 1 959 . 1 1 96 96 LEU HA H 1 3.8490 0.02 . 1 . . . A 97 LEU HA . 18003 1 960 . 1 1 96 96 LEU HD11 H 1 0.7250 0.02 . 2 . . . A 97 LEU HD11 . 18003 1 961 . 1 1 96 96 LEU HD12 H 1 0.7250 0.02 . 2 . . . A 97 LEU HD12 . 18003 1 962 . 1 1 96 96 LEU HD13 H 1 0.7250 0.02 . 2 . . . A 97 LEU HD13 . 18003 1 963 . 1 1 96 96 LEU HD21 H 1 0.7250 0.02 . 2 . . . A 97 LEU HD21 . 18003 1 964 . 1 1 96 96 LEU HD22 H 1 0.7250 0.02 . 2 . . . A 97 LEU HD22 . 18003 1 965 . 1 1 96 96 LEU HD23 H 1 0.7250 0.02 . 2 . . . A 97 LEU HD23 . 18003 1 966 . 1 1 96 96 LEU C C 13 177.9740 0.40 . 1 . . . A 97 LEU C . 18003 1 967 . 1 1 96 96 LEU CA C 13 59.2820 0.40 . 1 . . . A 97 LEU CA . 18003 1 968 . 1 1 96 96 LEU CB C 13 41.0460 0.40 . 1 . . . A 97 LEU CB . 18003 1 969 . 1 1 96 96 LEU CD1 C 13 24.3610 0.40 . 2 . . . A 97 LEU CD1 . 18003 1 970 . 1 1 96 96 LEU CD2 C 13 24.3610 0.40 . 2 . . . A 97 LEU CD2 . 18003 1 971 . 1 1 96 96 LEU N N 15 120.7580 0.40 . 1 . . . A 97 LEU N . 18003 1 972 . 1 1 97 97 LEU H H 1 7.6600 0.02 . 1 . . . A 98 LEU H . 18003 1 973 . 1 1 97 97 LEU HA H 1 3.8300 0.02 . 1 . . . A 98 LEU HA . 18003 1 974 . 1 1 97 97 LEU HD11 H 1 0.7350 0.02 . 2 . . . A 98 LEU HD11 . 18003 1 975 . 1 1 97 97 LEU HD12 H 1 0.7350 0.02 . 2 . . . A 98 LEU HD12 . 18003 1 976 . 1 1 97 97 LEU HD13 H 1 0.7350 0.02 . 2 . . . A 98 LEU HD13 . 18003 1 977 . 1 1 97 97 LEU HD21 H 1 0.7350 0.02 . 2 . . . A 98 LEU HD21 . 18003 1 978 . 1 1 97 97 LEU HD22 H 1 0.7350 0.02 . 2 . . . A 98 LEU HD22 . 18003 1 979 . 1 1 97 97 LEU HD23 H 1 0.7350 0.02 . 2 . . . A 98 LEU HD23 . 18003 1 980 . 1 1 97 97 LEU C C 13 178.2190 0.40 . 1 . . . A 98 LEU C . 18003 1 981 . 1 1 97 97 LEU CA C 13 57.7300 0.40 . 1 . . . A 98 LEU CA . 18003 1 982 . 1 1 97 97 LEU CB C 13 41.8620 0.40 . 1 . . . A 98 LEU CB . 18003 1 983 . 1 1 97 97 LEU N N 15 117.5670 0.40 . 1 . . . A 98 LEU N . 18003 1 984 . 1 1 98 98 ASP H H 1 8.2950 0.02 . 1 . . . A 99 ASP H . 18003 1 985 . 1 1 98 98 ASP HA H 1 4.1090 0.02 . 1 . . . A 99 ASP HA . 18003 1 986 . 1 1 98 98 ASP HB2 H 1 2.5510 0.02 . 2 . . . A 99 ASP HB2 . 18003 1 987 . 1 1 98 98 ASP HB3 H 1 2.8710 0.02 . 2 . . . A 99 ASP HB3 . 18003 1 988 . 1 1 98 98 ASP C C 13 179.3820 0.40 . 1 . . . A 99 ASP C . 18003 1 989 . 1 1 98 98 ASP CA C 13 58.0350 0.40 . 1 . . . A 99 ASP CA . 18003 1 990 . 1 1 98 98 ASP CB C 13 39.8390 0.40 . 1 . . . A 99 ASP CB . 18003 1 991 . 1 1 98 98 ASP N N 15 118.6070 0.40 . 1 . . . A 99 ASP N . 18003 1 992 . 1 1 99 99 GLU H H 1 8.3340 0.02 . 1 . . . A 100 GLU H . 18003 1 993 . 1 1 99 99 GLU HA H 1 3.8490 0.02 . 1 . . . A 100 GLU HA . 18003 1 994 . 1 1 99 99 GLU C C 13 179.3890 0.40 . 1 . . . A 100 GLU C . 18003 1 995 . 1 1 99 99 GLU CA C 13 58.0230 0.40 . 1 . . . A 100 GLU CA . 18003 1 996 . 1 1 99 99 GLU CB C 13 29.0290 0.40 . 1 . . . A 100 GLU CB . 18003 1 997 . 1 1 99 99 GLU N N 15 117.5420 0.40 . 1 . . . A 100 GLU N . 18003 1 998 . 1 1 100 100 ALA H H 1 8.5500 0.02 . 1 . . . A 101 ALA H . 18003 1 999 . 1 1 100 100 ALA HA H 1 3.9980 0.02 . 1 . . . A 101 ALA HA . 18003 1 1000 . 1 1 100 100 ALA C C 13 180.1840 0.40 . 1 . . . A 101 ALA C . 18003 1 1001 . 1 1 100 100 ALA CA C 13 55.5200 0.40 . 1 . . . A 101 ALA CA . 18003 1 1002 . 1 1 100 100 ALA CB C 13 17.6190 0.40 . 1 . . . A 101 ALA CB . 18003 1 1003 . 1 1 100 100 ALA N N 15 122.8900 0.40 . 1 . . . A 101 ALA N . 18003 1 1004 . 1 1 101 101 ILE H H 1 8.4930 0.02 . 1 . . . A 102 ILE H . 18003 1 1005 . 1 1 101 101 ILE HA H 1 3.5890 0.02 . 1 . . . A 102 ILE HA . 18003 1 1006 . 1 1 101 101 ILE C C 13 178.1140 0.40 . 1 . . . A 102 ILE C . 18003 1 1007 . 1 1 101 101 ILE CA C 13 65.3760 0.40 . 1 . . . A 102 ILE CA . 18003 1 1008 . 1 1 101 101 ILE CB C 13 38.0290 0.40 . 1 . . . A 102 ILE CB . 18003 1 1009 . 1 1 101 101 ILE N N 15 119.9520 0.40 . 1 . . . A 102 ILE N . 18003 1 1010 . 1 1 102 102 TYR H H 1 8.5200 0.02 . 1 . . . A 103 TYR H . 18003 1 1011 . 1 1 102 102 TYR HA H 1 4.1710 0.02 . 1 . . . A 103 TYR HA . 18003 1 1012 . 1 1 102 102 TYR HB2 H 1 2.5880 0.02 . 2 . . . A 103 TYR HB2 . 18003 1 1013 . 1 1 102 102 TYR HB3 H 1 2.7630 0.02 . 2 . . . A 103 TYR HB3 . 18003 1 1014 . 1 1 102 102 TYR C C 13 179.7720 0.40 . 1 . . . A 103 TYR C . 18003 1 1015 . 1 1 102 102 TYR CA C 13 60.7240 0.40 . 1 . . . A 103 TYR CA . 18003 1 1016 . 1 1 102 102 TYR CB C 13 37.5000 0.40 . 1 . . . A 103 TYR CB . 18003 1 1017 . 1 1 102 102 TYR N N 15 120.6250 0.40 . 1 . . . A 103 TYR N . 18003 1 1018 . 1 1 103 103 HIS H H 1 8.6220 0.02 . 1 . . . A 104 HIS H . 18003 1 1019 . 1 1 103 103 HIS HA H 1 4.4250 0.02 . 1 . . . A 104 HIS HA . 18003 1 1020 . 1 1 103 103 HIS HB2 H 1 3.2220 0.02 . 2 . . . A 104 HIS HB2 . 18003 1 1021 . 1 1 103 103 HIS HB3 H 1 3.2220 0.02 . 2 . . . A 104 HIS HB3 . 18003 1 1022 . 1 1 103 103 HIS C C 13 176.3770 0.40 . 1 . . . A 104 HIS C . 18003 1 1023 . 1 1 103 103 HIS CA C 13 60.0430 0.40 . 1 . . . A 104 HIS CA . 18003 1 1024 . 1 1 103 103 HIS CB C 13 29.0290 0.40 . 1 . . . A 104 HIS CB . 18003 1 1025 . 1 1 103 103 HIS N N 15 117.4560 0.40 . 1 . . . A 104 HIS N . 18003 1 1026 . 1 1 104 104 SER H H 1 7.9000 0.02 . 1 . . . A 105 SER H . 18003 1 1027 . 1 1 104 104 SER C C 13 176.7120 0.40 . 1 . . . A 105 SER C . 18003 1 1028 . 1 1 104 104 SER CA C 13 61.8520 0.40 . 1 . . . A 105 SER CA . 18003 1 1029 . 1 1 104 104 SER CB C 13 63.5500 0.40 . 1 . . . A 105 SER CB . 18003 1 1030 . 1 1 104 104 SER N N 15 113.5960 0.40 . 1 . . . A 105 SER N . 18003 1 1031 . 1 1 105 105 GLU H H 1 8.1810 0.02 . 1 . . . A 106 GLU H . 18003 1 1032 . 1 1 105 105 GLU HA H 1 4.0130 0.02 . 1 . . . A 106 GLU HA . 18003 1 1033 . 1 1 105 105 GLU HB2 H 1 2.0990 0.02 . 2 . . . A 106 GLU HB2 . 18003 1 1034 . 1 1 105 105 GLU HB3 H 1 2.0990 0.02 . 2 . . . A 106 GLU HB3 . 18003 1 1035 . 1 1 105 105 GLU HG2 H 1 2.3690 0.02 . 2 . . . A 106 GLU HG2 . 18003 1 1036 . 1 1 105 105 GLU HG3 H 1 2.3690 0.02 . 2 . . . A 106 GLU HG3 . 18003 1 1037 . 1 1 105 105 GLU C C 13 177.9020 0.40 . 1 . . . A 106 GLU C . 18003 1 1038 . 1 1 105 105 GLU CA C 13 58.0310 0.40 . 1 . . . A 106 GLU CA . 18003 1 1039 . 1 1 105 105 GLU CB C 13 29.2790 0.40 . 1 . . . A 106 GLU CB . 18003 1 1040 . 1 1 105 105 GLU N N 15 119.0220 0.40 . 1 . . . A 106 GLU N . 18003 1 1041 . 1 1 106 106 HIS H H 1 7.7700 0.02 . 1 . . . A 107 HIS H . 18003 1 1042 . 1 1 106 106 HIS HA H 1 4.4070 0.02 . 1 . . . A 107 HIS HA . 18003 1 1043 . 1 1 106 106 HIS HB2 H 1 2.9830 0.02 . 2 . . . A 107 HIS HB2 . 18003 1 1044 . 1 1 106 106 HIS HB3 H 1 3.3710 0.02 . 2 . . . A 107 HIS HB3 . 18003 1 1045 . 1 1 106 106 HIS C C 13 175.5750 0.40 . 1 . . . A 107 HIS C . 18003 1 1046 . 1 1 106 106 HIS CA C 13 57.3430 0.40 . 1 . . . A 107 HIS CA . 18003 1 1047 . 1 1 106 106 HIS CB C 13 28.5800 0.40 . 1 . . . A 107 HIS CB . 18003 1 1048 . 1 1 106 106 HIS N N 15 116.4820 0.40 . 1 . . . A 107 HIS N . 18003 1 1049 . 1 1 107 107 LEU H H 1 7.6820 0.02 . 1 . . . A 108 LEU H . 18003 1 1050 . 1 1 107 107 LEU HA H 1 4.0540 0.02 . 1 . . . A 108 LEU HA . 18003 1 1051 . 1 1 107 107 LEU HB2 H 1 1.3470 0.02 . 2 . . . A 108 LEU HB2 . 18003 1 1052 . 1 1 107 107 LEU HB3 H 1 1.3470 0.02 . 2 . . . A 108 LEU HB3 . 18003 1 1053 . 1 1 107 107 LEU HG H 1 1.3470 0.02 . 1 . . . A 108 LEU HG . 18003 1 1054 . 1 1 107 107 LEU HD11 H 1 0.6050 0.02 . 2 . . . A 108 LEU HD11 . 18003 1 1055 . 1 1 107 107 LEU HD12 H 1 0.6050 0.02 . 2 . . . A 108 LEU HD12 . 18003 1 1056 . 1 1 107 107 LEU HD13 H 1 0.6050 0.02 . 2 . . . A 108 LEU HD13 . 18003 1 1057 . 1 1 107 107 LEU HD21 H 1 0.6050 0.02 . 2 . . . A 108 LEU HD21 . 18003 1 1058 . 1 1 107 107 LEU HD22 H 1 0.6050 0.02 . 2 . . . A 108 LEU HD22 . 18003 1 1059 . 1 1 107 107 LEU HD23 H 1 0.6050 0.02 . 2 . . . A 108 LEU HD23 . 18003 1 1060 . 1 1 107 107 LEU C C 13 177.4040 0.40 . 1 . . . A 108 LEU C . 18003 1 1061 . 1 1 107 107 LEU CA C 13 55.9910 0.40 . 1 . . . A 108 LEU CA . 18003 1 1062 . 1 1 107 107 LEU CB C 13 42.0300 0.40 . 1 . . . A 108 LEU CB . 18003 1 1063 . 1 1 107 107 LEU CG C 13 24.1280 0.40 . 1 . . . A 108 LEU CG . 18003 1 1064 . 1 1 107 107 LEU CD1 C 13 24.1280 0.40 . 2 . . . A 108 LEU CD1 . 18003 1 1065 . 1 1 107 107 LEU CD2 C 13 24.1280 0.40 . 2 . . . A 108 LEU CD2 . 18003 1 1066 . 1 1 107 107 LEU N N 15 120.3460 0.40 . 1 . . . A 108 LEU N . 18003 1 1067 . 1 1 108 108 HIS H H 1 8.0300 0.02 . 1 . . . A 109 HIS H . 18003 1 1068 . 1 1 108 108 HIS HA H 1 4.0540 0.02 . 1 . . . A 109 HIS HA . 18003 1 1069 . 1 1 108 108 HIS HB2 H 1 3.1900 0.02 . 2 . . . A 109 HIS HB2 . 18003 1 1070 . 1 1 108 108 HIS HB3 H 1 3.1900 0.02 . 2 . . . A 109 HIS HB3 . 18003 1 1071 . 1 1 108 108 HIS C C 13 174.6060 0.40 . 1 . . . A 109 HIS C . 18003 1 1072 . 1 1 108 108 HIS CA C 13 56.0290 0.40 . 1 . . . A 109 HIS CA . 18003 1 1073 . 1 1 108 108 HIS CB C 13 28.5170 0.40 . 1 . . . A 109 HIS CB . 18003 1 1074 . 1 1 108 108 HIS N N 15 117.2220 0.40 . 1 . . . A 109 HIS N . 18003 1 1075 . 1 1 109 109 LEU H H 1 7.9730 0.02 . 1 . . . A 110 LEU H . 18003 1 1076 . 1 1 109 109 LEU HA H 1 4.2980 0.02 . 1 . . . A 110 LEU HA . 18003 1 1077 . 1 1 109 109 LEU HB2 H 1 1.6160 0.02 . 2 . . . A 110 LEU HB2 . 18003 1 1078 . 1 1 109 109 LEU HB3 H 1 1.6160 0.02 . 2 . . . A 110 LEU HB3 . 18003 1 1079 . 1 1 109 109 LEU HG H 1 1.6160 0.02 . 1 . . . A 110 LEU HG . 18003 1 1080 . 1 1 109 109 LEU HD11 H 1 0.8530 0.02 . 2 . . . A 110 LEU HD11 . 18003 1 1081 . 1 1 109 109 LEU HD12 H 1 0.8530 0.02 . 2 . . . A 110 LEU HD12 . 18003 1 1082 . 1 1 109 109 LEU HD13 H 1 0.8530 0.02 . 2 . . . A 110 LEU HD13 . 18003 1 1083 . 1 1 109 109 LEU HD21 H 1 0.8530 0.02 . 2 . . . A 110 LEU HD21 . 18003 1 1084 . 1 1 109 109 LEU HD22 H 1 0.8530 0.02 . 2 . . . A 110 LEU HD22 . 18003 1 1085 . 1 1 109 109 LEU HD23 H 1 0.8530 0.02 . 2 . . . A 110 LEU HD23 . 18003 1 1086 . 1 1 109 109 LEU C C 13 178.0280 0.40 . 1 . . . A 110 LEU C . 18003 1 1087 . 1 1 109 109 LEU CA C 13 55.5740 0.40 . 1 . . . A 110 LEU CA . 18003 1 1088 . 1 1 109 109 LEU CB C 13 42.0760 0.40 . 1 . . . A 110 LEU CB . 18003 1 1089 . 1 1 109 109 LEU CG C 13 24.2120 0.40 . 1 . . . A 110 LEU CG . 18003 1 1090 . 1 1 109 109 LEU CD1 C 13 24.2120 0.40 . 2 . . . A 110 LEU CD1 . 18003 1 1091 . 1 1 109 109 LEU CD2 C 13 24.2120 0.40 . 2 . . . A 110 LEU CD2 . 18003 1 1092 . 1 1 109 109 LEU N N 15 121.1140 0.40 . 1 . . . A 110 LEU N . 18003 1 1093 . 1 1 110 110 GLY H H 1 8.2550 0.02 . 1 . . . A 111 GLY H . 18003 1 1094 . 1 1 110 110 GLY HA2 H 1 3.9600 0.02 . 2 . . . A 111 GLY HA2 . 18003 1 1095 . 1 1 110 110 GLY HA3 H 1 3.9600 0.02 . 2 . . . A 111 GLY HA3 . 18003 1 1096 . 1 1 110 110 GLY C C 13 174.6060 0.40 . 1 . . . A 111 GLY C . 18003 1 1097 . 1 1 110 110 GLY CA C 13 45.5800 0.40 . 1 . . . A 111 GLY CA . 18003 1 1098 . 1 1 110 110 GLY N N 15 108.6310 0.40 . 1 . . . A 111 GLY N . 18003 1 1099 . 1 1 111 111 LEU H H 1 7.9810 0.02 . 1 . . . A 112 LEU H . 18003 1 1100 . 1 1 111 111 LEU HA H 1 4.3590 0.02 . 1 . . . A 112 LEU HA . 18003 1 1101 . 1 1 111 111 LEU HB2 H 1 1.6100 0.02 . 2 . . . A 112 LEU HB2 . 18003 1 1102 . 1 1 111 111 LEU HB3 H 1 1.6100 0.02 . 2 . . . A 112 LEU HB3 . 18003 1 1103 . 1 1 111 111 LEU HG H 1 1.6100 0.02 . 1 . . . A 112 LEU HG . 18003 1 1104 . 1 1 111 111 LEU HD11 H 1 0.8460 0.02 . 2 . . . A 112 LEU HD11 . 18003 1 1105 . 1 1 111 111 LEU HD12 H 1 0.8460 0.02 . 2 . . . A 112 LEU HD12 . 18003 1 1106 . 1 1 111 111 LEU HD13 H 1 0.8460 0.02 . 2 . . . A 112 LEU HD13 . 18003 1 1107 . 1 1 111 111 LEU HD21 H 1 0.8460 0.02 . 2 . . . A 112 LEU HD21 . 18003 1 1108 . 1 1 111 111 LEU HD22 H 1 0.8460 0.02 . 2 . . . A 112 LEU HD22 . 18003 1 1109 . 1 1 111 111 LEU HD23 H 1 0.8460 0.02 . 2 . . . A 112 LEU HD23 . 18003 1 1110 . 1 1 111 111 LEU C C 13 177.7010 0.40 . 1 . . . A 112 LEU C . 18003 1 1111 . 1 1 111 111 LEU CA C 13 55.4760 0.40 . 1 . . . A 112 LEU CA . 18003 1 1112 . 1 1 111 111 LEU CB C 13 41.8990 0.40 . 1 . . . A 112 LEU CB . 18003 1 1113 . 1 1 111 111 LEU CG C 13 24.1250 0.40 . 1 . . . A 112 LEU CG . 18003 1 1114 . 1 1 111 111 LEU CD1 C 13 24.1250 0.40 . 2 . . . A 112 LEU CD1 . 18003 1 1115 . 1 1 111 111 LEU CD2 C 13 24.1250 0.40 . 2 . . . A 112 LEU CD2 . 18003 1 1116 . 1 1 111 111 LEU N N 15 121.0220 0.40 . 1 . . . A 112 LEU N . 18003 1 1117 . 1 1 112 112 SER H H 1 8.2150 0.02 . 1 . . . A 113 SER H . 18003 1 1118 . 1 1 112 112 SER HA H 1 4.4320 0.02 . 1 . . . A 113 SER HA . 18003 1 1119 . 1 1 112 112 SER HB2 H 1 3.8670 0.02 . 2 . . . A 113 SER HB2 . 18003 1 1120 . 1 1 112 112 SER HB3 H 1 3.8670 0.02 . 2 . . . A 113 SER HB3 . 18003 1 1121 . 1 1 112 112 SER C C 13 174.3810 0.40 . 1 . . . A 113 SER C . 18003 1 1122 . 1 1 112 112 SER CA C 13 58.5270 0.40 . 1 . . . A 113 SER CA . 18003 1 1123 . 1 1 112 112 SER CB C 13 63.5930 0.40 . 1 . . . A 113 SER CB . 18003 1 1124 . 1 1 112 112 SER N N 15 115.4710 0.40 . 1 . . . A 113 SER N . 18003 1 1125 . 1 1 113 113 ASP H H 1 8.2030 0.02 . 1 . . . A 114 ASP H . 18003 1 1126 . 1 1 113 113 ASP HA H 1 4.4270 0.02 . 1 . . . A 114 ASP HA . 18003 1 1127 . 1 1 113 113 ASP HB2 H 1 2.6500 0.02 . 2 . . . A 114 ASP HB2 . 18003 1 1128 . 1 1 113 113 ASP HB3 H 1 2.6500 0.02 . 2 . . . A 114 ASP HB3 . 18003 1 1129 . 1 1 113 113 ASP C C 13 175.9580 0.40 . 1 . . . A 114 ASP C . 18003 1 1130 . 1 1 113 113 ASP CA C 13 54.2130 0.40 . 1 . . . A 114 ASP CA . 18003 1 1131 . 1 1 113 113 ASP CB C 13 41.0300 0.40 . 1 . . . A 114 ASP CB . 18003 1 1132 . 1 1 113 113 ASP N N 15 121.6960 0.40 . 1 . . . A 114 ASP N . 18003 1 1133 . 1 1 114 114 ARG H H 1 8.0160 0.02 . 1 . . . A 115 ARG H . 18003 1 1134 . 1 1 114 114 ARG HA H 1 4.2720 0.02 . 1 . . . A 115 ARG HA . 18003 1 1135 . 1 1 114 114 ARG HB2 H 1 1.6100 0.02 . 2 . . . A 115 ARG HB2 . 18003 1 1136 . 1 1 114 114 ARG HB3 H 1 1.6100 0.02 . 2 . . . A 115 ARG HB3 . 18003 1 1137 . 1 1 114 114 ARG HG2 H 1 1.6100 0.02 . 2 . . . A 115 ARG HG2 . 18003 1 1138 . 1 1 114 114 ARG HG3 H 1 1.6100 0.02 . 2 . . . A 115 ARG HG3 . 18003 1 1139 . 1 1 114 114 ARG HD2 H 1 3.1450 0.02 . 2 . . . A 115 ARG HD2 . 18003 1 1140 . 1 1 114 114 ARG HD3 H 1 3.1450 0.02 . 2 . . . A 115 ARG HD3 . 18003 1 1141 . 1 1 114 114 ARG C C 13 175.7920 0.40 . 1 . . . A 115 ARG C . 18003 1 1142 . 1 1 114 114 ARG CA C 13 55.7350 0.40 . 1 . . . A 115 ARG CA . 18003 1 1143 . 1 1 114 114 ARG CB C 13 30.5860 0.40 . 1 . . . A 115 ARG CB . 18003 1 1144 . 1 1 114 114 ARG CG C 13 26.4850 0.40 . 1 . . . A 115 ARG CG . 18003 1 1145 . 1 1 114 114 ARG CD C 13 43.2100 0.40 . 1 . . . A 115 ARG CD . 18003 1 1146 . 1 1 114 114 ARG N N 15 120.0880 0.40 . 1 . . . A 115 ARG N . 18003 1 1147 . 1 1 115 115 HIS H H 1 8.3850 0.02 . 1 . . . A 116 HIS H . 18003 1 1148 . 1 1 115 115 HIS CA C 13 53.6970 0.40 . 1 . . . A 116 HIS CA . 18003 1 1149 . 1 1 115 115 HIS CB C 13 29.2990 0.40 . 1 . . . A 116 HIS CB . 18003 1 1150 . 1 1 115 115 HIS N N 15 120.5970 0.40 . 1 . . . A 116 HIS N . 18003 1 1151 . 1 1 116 116 PRO HA H 1 4.4820 0.02 . 1 . . . A 117 PRO HA . 18003 1 1152 . 1 1 116 116 PRO HB2 H 1 2.3120 0.02 . 2 . . . A 117 PRO HB2 . 18003 1 1153 . 1 1 116 116 PRO HB3 H 1 2.3120 0.02 . 2 . . . A 117 PRO HB3 . 18003 1 1154 . 1 1 116 116 PRO HG2 H 1 1.9430 0.02 . 2 . . . A 117 PRO HG2 . 18003 1 1155 . 1 1 116 116 PRO HG3 H 1 1.9430 0.02 . 2 . . . A 117 PRO HG3 . 18003 1 1156 . 1 1 116 116 PRO HD2 H 1 3.5630 0.02 . 2 . . . A 117 PRO HD2 . 18003 1 1157 . 1 1 116 116 PRO HD3 H 1 3.5630 0.02 . 2 . . . A 117 PRO HD3 . 18003 1 1158 . 1 1 116 116 PRO C C 13 177.0900 0.40 . 1 . . . A 117 PRO C . 18003 1 1159 . 1 1 116 116 PRO CA C 13 63.1770 0.40 . 1 . . . A 117 PRO CA . 18003 1 1160 . 1 1 116 116 PRO CB C 13 31.8200 0.40 . 1 . . . A 117 PRO CB . 18003 1 1161 . 1 1 116 116 PRO CG C 13 26.9800 0.40 . 1 . . . A 117 PRO CG . 18003 1 1162 . 1 1 116 116 PRO CD C 13 50.3370 0.40 . 1 . . . A 117 PRO CD . 18003 1 1163 . 1 1 117 117 SER H H 1 8.4870 0.02 . 1 . . . A 118 SER H . 18003 1 1164 . 1 1 117 117 SER HA H 1 4.4650 0.02 . 1 . . . A 118 SER HA . 18003 1 1165 . 1 1 117 117 SER HB2 H 1 3.9010 0.02 . 2 . . . A 118 SER HB2 . 18003 1 1166 . 1 1 117 117 SER HB3 H 1 3.9010 0.02 . 2 . . . A 118 SER HB3 . 18003 1 1167 . 1 1 117 117 SER C C 13 174.2870 0.40 . 1 . . . A 118 SER C . 18003 1 1168 . 1 1 117 117 SER CA C 13 58.1100 0.40 . 1 . . . A 118 SER CA . 18003 1 1169 . 1 1 117 117 SER CB C 13 63.7500 0.40 . 1 . . . A 118 SER CB . 18003 1 1170 . 1 1 117 117 SER N N 15 116.2200 0.40 . 1 . . . A 118 SER N . 18003 1 1171 . 1 1 118 118 ALA H H 1 8.2950 0.02 . 1 . . . A 119 ALA H . 18003 1 1172 . 1 1 118 118 ALA HA H 1 4.4390 0.02 . 1 . . . A 119 ALA HA . 18003 1 1173 . 1 1 118 118 ALA HB1 H 1 1.3940 0.02 . 1 . . . A 119 ALA HB1 . 18003 1 1174 . 1 1 118 118 ALA HB2 H 1 1.3940 0.02 . 1 . . . A 119 ALA HB2 . 18003 1 1175 . 1 1 118 118 ALA HB3 H 1 1.3940 0.02 . 1 . . . A 119 ALA HB3 . 18003 1 1176 . 1 1 118 118 ALA C C 13 176.8790 0.40 . 1 . . . A 119 ALA C . 18003 1 1177 . 1 1 118 118 ALA CA C 13 52.4490 0.40 . 1 . . . A 119 ALA CA . 18003 1 1178 . 1 1 118 118 ALA CB C 13 19.4830 0.40 . 1 . . . A 119 ALA CB . 18003 1 1179 . 1 1 118 118 ALA N N 15 126.0820 0.40 . 1 . . . A 119 ALA N . 18003 1 1180 . 1 1 119 119 GLY H H 1 7.8800 0.02 . 1 . . . A 120 GLY H . 18003 1 1181 . 1 1 119 119 GLY HA2 H 1 3.9790 0.02 . 2 . . . A 120 GLY HA2 . 18003 1 1182 . 1 1 119 119 GLY CA C 13 46.1150 0.40 . 1 . . . A 120 GLY CA . 18003 1 1183 . 1 1 119 119 GLY N N 15 114.1420 0.40 . 1 . . . A 120 GLY N . 18003 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 18003 _Assigned_chem_shift_list.ID 2 _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' . . . 18003 2 2 '3D HNCO' . . . 18003 2 3 '3D HNCA' . . . 18003 2 4 '3D HNCACB' . . . 18003 2 5 '3D C(CO)NH' . . . 18003 2 6 '3D HCCH-TOCSY' . . . 18003 2 7 '3D 1H-15N TOCSY' . . . 18003 2 8 '2D 1H-15N HSQC' . . . 18003 2 9 '2D 1H-13C HSQC' . . . 18003 2 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 3 3 GLY N N 15 110.6127 0.40 . 1 . . . A 4 GLY N . 18003 2 2 . 1 1 3 3 GLY H H 1 8.4998 0.02 . 1 . . . A 4 GLY HN . 18003 2 3 . 1 1 4 4 VAL N N 15 132.1564 0.40 . 1 . . . A 5 VAL N . 18003 2 4 . 1 1 4 4 VAL H H 1 7.0796 0.02 . 1 . . . A 5 VAL HN . 18003 2 5 . 1 1 5 5 GLU N N 15 124.3101 0.40 . 1 . . . A 6 GLU N . 18003 2 6 . 1 1 5 5 GLU H H 1 8.5433 0.02 . 1 . . . A 6 GLU HN . 18003 2 7 . 1 1 6 6 GLY N N 15 132.2550 0.40 . 1 . . . A 7 GLY N . 18003 2 8 . 1 1 6 6 GLY H H 1 6.8402 0.02 . 1 . . . A 7 GLY HN . 18003 2 9 . 1 1 7 7 ARG N N 15 132.3815 0.40 . 1 . . . A 8 ARG N . 18003 2 10 . 1 1 7 7 ARG H H 1 6.7353 0.02 . 1 . . . A 8 ARG HN . 18003 2 11 . 1 1 8 8 ASN N N 15 132.2325 0.40 . 1 . . . A 9 ASN N . 18003 2 12 . 1 1 8 8 ASN H H 1 6.6415 0.02 . 1 . . . A 9 ASN HN . 18003 2 13 . 1 1 9 9 ARG N N 15 121.6996 0.40 . 1 . . . A 10 ARG N . 18003 2 14 . 1 1 9 9 ARG H H 1 8.1385 0.02 . 1 . . . A 10 ARG HN . 18003 2 15 . 1 1 11 11 SER N N 15 116.0202 0.40 . 1 . . . A 12 SER N . 18003 2 16 . 1 1 11 11 SER H H 1 8.4498 0.02 . 1 . . . A 12 SER HN . 18003 2 17 . 1 1 12 12 ALA N N 15 126.6263 0.40 . 1 . . . A 13 ALA N . 18003 2 18 . 1 1 12 12 ALA H H 1 8.1058 0.02 . 1 . . . A 13 ALA HN . 18003 2 19 . 1 1 12 12 ALA CA C 13 50.6531 0.40 . 1 . . . A 13 ALA CA . 18003 2 20 . 1 1 14 14 LEU N N 15 121.8485 0.40 . 1 . . . A 15 LEU N . 18003 2 21 . 1 1 14 14 LEU H H 1 8.0218 0.02 . 1 . . . A 15 LEU HN . 18003 2 22 . 1 1 14 14 LEU CA C 13 55.4258 0.40 . 1 . . . A 15 LEU CA . 18003 2 23 . 1 1 15 15 ASP N N 15 121.4814 0.40 . 1 . . . A 16 ASP N . 18003 2 24 . 1 1 15 15 ASP H H 1 7.8034 0.02 . 1 . . . A 16 ASP HN . 18003 2 25 . 1 1 15 15 ASP CA C 13 52.5720 0.40 . 1 . . . A 16 ASP CA . 18003 2 26 . 1 1 16 16 SER N N 15 114.3404 0.40 . 1 . . . A 17 SER N . 18003 2 27 . 1 1 16 16 SER H H 1 8.6726 0.02 . 1 . . . A 17 SER HN . 18003 2 28 . 1 1 16 16 SER CA C 13 62.7078 0.40 . 1 . . . A 17 SER CA . 18003 2 29 . 1 1 17 17 GLN N N 15 122.4026 0.40 . 1 . . . A 18 GLN N . 18003 2 30 . 1 1 17 17 GLN H H 1 8.1400 0.02 . 1 . . . A 18 GLN HN . 18003 2 31 . 1 1 17 17 GLN CA C 13 59.0176 0.40 . 1 . . . A 18 GLN CA . 18003 2 32 . 1 1 18 18 ALA N N 15 124.7691 0.40 . 1 . . . A 19 ALA N . 18003 2 33 . 1 1 18 18 ALA H H 1 8.4844 0.02 . 1 . . . A 19 ALA HN . 18003 2 34 . 1 1 18 18 ALA CA C 13 55.0813 0.40 . 1 . . . A 19 ALA CA . 18003 2 35 . 1 1 19 19 ALA N N 15 119.0343 0.40 . 1 . . . A 20 ALA N . 18003 2 36 . 1 1 19 19 ALA H H 1 8.9711 0.02 . 1 . . . A 20 ALA HN . 18003 2 37 . 1 1 19 19 ALA CA C 13 55.2289 0.40 . 1 . . . A 20 ALA CA . 18003 2 38 . 1 1 20 20 ALA N N 15 119.1734 0.40 . 1 . . . A 21 ALA N . 18003 2 39 . 1 1 20 20 ALA H H 1 7.7142 0.02 . 1 . . . A 21 ALA HN . 18003 2 40 . 1 1 20 20 ALA CA C 13 55.4750 0.40 . 1 . . . A 21 ALA CA . 18003 2 41 . 1 1 21 21 GLN N N 15 119.0038 0.40 . 1 . . . A 22 GLN N . 18003 2 42 . 1 1 21 21 GLN H H 1 7.6127 0.02 . 1 . . . A 22 GLN HN . 18003 2 43 . 1 1 21 21 GLN CA C 13 58.9191 0.40 . 1 . . . A 22 GLN CA . 18003 2 44 . 1 1 22 22 VAL N N 15 121.5352 0.40 . 1 . . . A 23 VAL N . 18003 2 45 . 1 1 22 22 VAL H H 1 8.4053 0.02 . 1 . . . A 23 VAL HN . 18003 2 46 . 1 1 22 22 VAL CA C 13 66.5456 0.40 . 1 . . . A 23 VAL CA . 18003 2 47 . 1 1 23 23 ALA N N 15 121.5297 0.40 . 1 . . . A 24 ALA N . 18003 2 48 . 1 1 23 23 ALA H H 1 8.5420 0.02 . 1 . . . A 24 ALA HN . 18003 2 49 . 1 1 23 23 ALA CA C 13 56.1638 0.40 . 1 . . . A 24 ALA CA . 18003 2 50 . 1 1 24 24 SER N N 15 111.9819 0.40 . 1 . . . A 25 SER N . 18003 2 51 . 1 1 24 24 SER H H 1 7.7587 0.02 . 1 . . . A 25 SER HN . 18003 2 52 . 1 1 24 24 SER CA C 13 62.0189 0.40 . 1 . . . A 25 SER CA . 18003 2 53 . 1 1 25 25 THR N N 15 119.7518 0.40 . 1 . . . A 26 THR N . 18003 2 54 . 1 1 25 25 THR H H 1 7.6387 0.02 . 1 . . . A 26 THR HN . 18003 2 55 . 1 1 25 25 THR CA C 13 67.0376 0.40 . 1 . . . A 26 THR CA . 18003 2 56 . 1 1 26 26 LEU N N 15 119.2698 0.40 . 1 . . . A 27 LEU N . 18003 2 57 . 1 1 26 26 LEU H H 1 8.0056 0.02 . 1 . . . A 27 LEU HN . 18003 2 58 . 1 1 26 26 LEU CA C 13 58.0827 0.40 . 1 . . . A 27 LEU CA . 18003 2 59 . 1 1 27 27 GLN N N 15 116.0178 0.40 . 1 . . . A 28 GLN N . 18003 2 60 . 1 1 27 27 GLN H H 1 8.4457 0.02 . 1 . . . A 28 GLN HN . 18003 2 61 . 1 1 27 27 GLN CA C 13 58.8699 0.40 . 1 . . . A 28 GLN CA . 18003 2 62 . 1 1 28 28 ALA N N 15 118.9847 0.40 . 1 . . . A 29 ALA N . 18003 2 63 . 1 1 28 28 ALA H H 1 7.4088 0.02 . 1 . . . A 29 ALA HN . 18003 2 64 . 1 1 28 28 ALA CA C 13 54.1456 0.40 . 1 . . . A 29 ALA CA . 18003 2 65 . 1 1 29 29 LEU N N 15 113.0808 0.40 . 1 . . . A 30 LEU N . 18003 2 66 . 1 1 29 29 LEU H H 1 7.3540 0.02 . 1 . . . A 30 LEU HN . 18003 2 67 . 1 1 29 29 LEU CA C 13 55.8686 0.40 . 1 . . . A 30 LEU CA . 18003 2 68 . 1 1 30 30 ALA N N 15 119.5464 0.40 . 1 . . . A 31 ALA N . 18003 2 69 . 1 1 30 30 ALA H H 1 7.1048 0.02 . 1 . . . A 31 ALA HN . 18003 2 70 . 1 1 30 30 ALA CA C 13 52.3260 0.40 . 1 . . . A 31 ALA CA . 18003 2 71 . 1 1 31 31 THR N N 15 114.9399 0.40 . 1 . . . A 32 THR N . 18003 2 72 . 1 1 31 31 THR H H 1 8.4821 0.02 . 1 . . . A 32 THR HN . 18003 2 73 . 1 1 31 31 THR CA C 13 58.5255 0.40 . 1 . . . A 32 THR CA . 18003 2 74 . 1 1 33 33 SER N N 15 110.9431 0.40 . 1 . . . A 34 SER N . 18003 2 75 . 1 1 33 33 SER H H 1 8.3874 0.02 . 1 . . . A 34 SER HN . 18003 2 76 . 1 1 33 33 SER CA C 13 61.9016 0.40 . 1 . . . A 34 SER CA . 18003 2 77 . 1 1 34 34 ARG N N 15 120.0127 0.40 . 1 . . . A 35 ARG N . 18003 2 78 . 1 1 34 34 ARG H H 1 7.3411 0.02 . 1 . . . A 35 ARG HN . 18003 2 79 . 1 1 34 34 ARG CA C 13 60.6904 0.40 . 1 . . . A 35 ARG CA . 18003 2 80 . 1 1 35 35 LEU N N 15 118.6129 0.40 . 1 . . . A 36 LEU N . 18003 2 81 . 1 1 35 35 LEU H H 1 8.2036 0.02 . 1 . . . A 36 LEU HN . 18003 2 82 . 1 1 35 35 LEU CA C 13 58.1319 0.40 . 1 . . . A 36 LEU CA . 18003 2 83 . 1 1 36 36 MET N N 15 121.0726 0.40 . 1 . . . A 37 MET N . 18003 2 84 . 1 1 36 36 MET H H 1 8.3550 0.02 . 1 . . . A 37 MET HN . 18003 2 85 . 1 1 36 36 MET CA C 13 60.5428 0.40 . 1 . . . A 37 MET CA . 18003 2 86 . 1 1 37 37 ILE N N 15 117.9963 0.40 . 1 . . . A 38 ILE N . 18003 2 87 . 1 1 37 37 ILE H H 1 7.6639 0.02 . 1 . . . A 38 ILE HN . 18003 2 88 . 1 1 37 37 ILE CA C 13 66.0043 0.40 . 1 . . . A 38 ILE CA . 18003 2 89 . 1 1 38 38 LEU N N 15 116.2105 0.40 . 1 . . . A 39 LEU N . 18003 2 90 . 1 1 38 38 LEU H H 1 8.6173 0.02 . 1 . . . A 39 LEU HN . 18003 2 91 . 1 1 38 38 LEU CA C 13 58.2795 0.40 . 1 . . . A 39 LEU CA . 18003 2 92 . 1 1 39 39 THR N N 15 106.1878 0.40 . 1 . . . A 40 THR N . 18003 2 93 . 1 1 39 39 THR H H 1 8.1631 0.02 . 1 . . . A 40 THR HN . 18003 2 94 . 1 1 39 39 THR CA C 13 65.4631 0.40 . 1 . . . A 40 THR CA . 18003 2 95 . 1 1 40 40 GLN N N 15 122.1164 0.40 . 1 . . . A 41 GLN N . 18003 2 96 . 1 1 40 40 GLN H H 1 7.4862 0.02 . 1 . . . A 41 GLN HN . 18003 2 97 . 1 1 40 40 GLN CA C 13 58.2795 0.40 . 1 . . . A 41 GLN CA . 18003 2 98 . 1 1 41 41 LEU N N 15 116.7186 0.40 . 1 . . . A 42 LEU N . 18003 2 99 . 1 1 41 41 LEU H H 1 7.5268 0.02 . 1 . . . A 42 LEU HN . 18003 2 100 . 1 1 41 41 LEU CA C 13 55.6226 0.40 . 1 . . . A 42 LEU CA . 18003 2 101 . 1 1 42 42 ARG N N 15 119.9434 0.40 . 1 . . . A 43 ARG N . 18003 2 102 . 1 1 42 42 ARG H H 1 7.5630 0.02 . 1 . . . A 43 ARG HN . 18003 2 103 . 1 1 43 43 ASN N N 15 114.9870 0.40 . 1 . . . A 44 ASN N . 18003 2 104 . 1 1 43 43 ASN H H 1 7.6703 0.02 . 1 . . . A 44 ASN HN . 18003 2 105 . 1 1 43 43 ASN CA C 13 54.0973 0.40 . 1 . . . A 44 ASN CA . 18003 2 106 . 1 1 44 44 GLY N N 15 109.0510 0.40 . 1 . . . A 45 GLY N . 18003 2 107 . 1 1 44 44 GLY H H 1 7.3616 0.02 . 1 . . . A 45 GLY HN . 18003 2 108 . 1 1 44 44 GLY CA C 13 44.5028 0.40 . 1 . . . A 45 GLY CA . 18003 2 109 . 1 1 46 46 LEU N N 15 120.4405 0.40 . 1 . . . A 47 LEU N . 18003 2 110 . 1 1 46 46 LEU H H 1 8.1739 0.02 . 1 . . . A 47 LEU HN . 18003 2 111 . 1 1 46 46 LEU CA C 13 52.6704 0.40 . 1 . . . A 47 LEU CA . 18003 2 112 . 1 1 48 48 VAL N N 15 119.3200 0.40 . 1 . . . A 49 VAL N . 18003 2 113 . 1 1 48 48 VAL H H 1 9.0045 0.02 . 1 . . . A 49 VAL HN . 18003 2 114 . 1 1 48 48 VAL CA C 13 67.0376 0.40 . 1 . . . A 49 VAL CA . 18003 2 115 . 1 1 49 49 THR N N 15 111.0490 0.40 . 1 . . . A 50 THR N . 18003 2 116 . 1 1 49 49 THR H H 1 7.8526 0.02 . 1 . . . A 50 THR HN . 18003 2 117 . 1 1 49 49 THR CA C 13 65.3647 0.40 . 1 . . . A 50 THR CA . 18003 2 118 . 1 1 50 50 ASP N N 15 120.2607 0.40 . 1 . . . A 51 ASP N . 18003 2 119 . 1 1 50 50 ASP H H 1 7.1092 0.02 . 1 . . . A 51 ASP HN . 18003 2 120 . 1 1 50 50 ASP CA C 13 57.0002 0.40 . 1 . . . A 51 ASP CA . 18003 2 121 . 1 1 51 51 LEU N N 15 121.1463 0.40 . 1 . . . A 52 LEU N . 18003 2 122 . 1 1 51 51 LEU H H 1 7.9016 0.02 . 1 . . . A 52 LEU HN . 18003 2 123 . 1 1 51 51 LEU CA C 13 58.6239 0.40 . 1 . . . A 52 LEU CA . 18003 2 124 . 1 1 52 52 ALA N N 15 119.3525 0.40 . 1 . . . A 53 ALA N . 18003 2 125 . 1 1 52 52 ALA H H 1 8.5000 0.02 . 1 . . . A 53 ALA HN . 18003 2 126 . 1 1 52 52 ALA CA C 13 56.1638 0.40 . 1 . . . A 53 ALA CA . 18003 2 127 . 1 1 53 53 GLU N N 15 115.7078 0.40 . 1 . . . A 54 GLU N . 18003 2 128 . 1 1 53 53 GLU H H 1 7.7084 0.02 . 1 . . . A 54 GLU HN . 18003 2 129 . 1 1 53 53 GLU CA C 13 58.8207 0.40 . 1 . . . A 54 GLU CA . 18003 2 130 . 1 1 54 54 ALA N N 15 120.2562 0.40 . 1 . . . A 55 ALA N . 18003 2 131 . 1 1 54 54 ALA H H 1 7.8948 0.02 . 1 . . . A 55 ALA HN . 18003 2 132 . 1 1 54 54 ALA CA C 13 54.9337 0.40 . 1 . . . A 55 ALA CA . 18003 2 133 . 1 1 55 55 ILE N N 15 107.2583 0.40 . 1 . . . A 56 ILE N . 18003 2 134 . 1 1 55 55 ILE H H 1 7.4969 0.02 . 1 . . . A 56 ILE HN . 18003 2 135 . 1 1 55 55 ILE CA C 13 60.8381 0.40 . 1 . . . A 56 ILE CA . 18003 2 136 . 1 1 56 56 GLY N N 15 111.2161 0.40 . 1 . . . A 57 GLY N . 18003 2 137 . 1 1 56 56 GLY H H 1 7.7687 0.02 . 1 . . . A 57 GLY HN . 18003 2 138 . 1 1 56 56 GLY CA C 13 47.3073 0.40 . 1 . . . A 57 GLY CA . 18003 2 139 . 1 1 57 57 MET N N 15 118.1500 0.40 . 1 . . . A 58 MET N . 18003 2 140 . 1 1 57 57 MET H H 1 7.6472 0.02 . 1 . . . A 58 MET HN . 18003 2 141 . 1 1 57 57 MET CA C 13 54.3433 0.40 . 1 . . . A 58 MET CA . 18003 2 142 . 1 1 58 58 GLU N N 15 121.7413 0.40 . 1 . . . A 59 GLU N . 18003 2 143 . 1 1 58 58 GLU H H 1 8.5291 0.02 . 1 . . . A 59 GLU HN . 18003 2 144 . 1 1 58 58 GLU CA C 13 56.7542 0.40 . 1 . . . A 59 GLU CA . 18003 2 145 . 1 1 59 59 GLN N N 15 123.6865 0.40 . 1 . . . A 60 GLN N . 18003 2 146 . 1 1 59 59 GLN H H 1 9.0088 0.02 . 1 . . . A 60 GLN HN . 18003 2 147 . 1 1 60 60 SER N N 15 115.1014 0.40 . 1 . . . A 61 SER N . 18003 2 148 . 1 1 60 60 SER H H 1 8.9642 0.02 . 1 . . . A 61 SER HN . 18003 2 149 . 1 1 61 61 ALA N N 15 126.0576 0.40 . 1 . . . A 62 ALA N . 18003 2 150 . 1 1 61 61 ALA H H 1 7.0797 0.02 . 1 . . . A 62 ALA HN . 18003 2 151 . 1 1 61 61 ALA CA C 13 54.7861 0.40 . 1 . . . A 62 ALA CA . 18003 2 152 . 1 1 62 62 VAL N N 15 119.2554 0.40 . 1 . . . A 63 VAL N . 18003 2 153 . 1 1 62 62 VAL H H 1 7.9368 0.02 . 1 . . . A 63 VAL HN . 18003 2 154 . 1 1 62 62 VAL CA C 13 66.8900 0.40 . 1 . . . A 63 VAL CA . 18003 2 155 . 1 1 63 63 SER N N 15 115.3449 0.40 . 1 . . . A 64 SER N . 18003 2 156 . 1 1 63 63 SER H H 1 8.7316 0.02 . 1 . . . A 64 SER HN . 18003 2 157 . 1 1 63 63 SER CA C 13 62.7078 0.40 . 1 . . . A 64 SER CA . 18003 2 158 . 1 1 64 64 HIS N N 15 120.1999 0.40 . 1 . . . A 65 HIS N . 18003 2 159 . 1 1 64 64 HIS H H 1 7.7670 0.02 . 1 . . . A 65 HIS HN . 18003 2 160 . 1 1 64 64 HIS CA C 13 60.1492 0.40 . 1 . . . A 65 HIS CA . 18003 2 161 . 1 1 65 65 GLN N N 15 115.5262 0.40 . 1 . . . A 66 GLN N . 18003 2 162 . 1 1 65 65 GLN H H 1 7.7351 0.02 . 1 . . . A 66 GLN HN . 18003 2 163 . 1 1 65 65 GLN CA C 13 58.2303 0.40 . 1 . . . A 66 GLN CA . 18003 2 164 . 1 1 66 66 LEU N N 15 118.6807 0.40 . 1 . . . A 67 LEU N . 18003 2 165 . 1 1 66 66 LEU H H 1 8.5680 0.02 . 1 . . . A 67 LEU HN . 18003 2 166 . 1 1 66 66 LEU CA C 13 58.1811 0.40 . 1 . . . A 67 LEU CA . 18003 2 167 . 1 1 67 67 ARG N N 15 119.6432 0.40 . 1 . . . A 68 ARG N . 18003 2 168 . 1 1 67 67 ARG H H 1 7.6025 0.02 . 1 . . . A 68 ARG HN . 18003 2 169 . 1 1 67 67 ARG CA C 13 60.0016 0.40 . 1 . . . A 68 ARG CA . 18003 2 170 . 1 1 68 68 VAL N N 15 119.9421 0.40 . 1 . . . A 69 VAL N . 18003 2 171 . 1 1 68 68 VAL H H 1 7.2930 0.02 . 1 . . . A 69 VAL HN . 18003 2 172 . 1 1 68 68 VAL CA C 13 66.4472 0.40 . 1 . . . A 69 VAL CA . 18003 2 173 . 1 1 69 69 LEU N N 15 117.8139 0.40 . 1 . . . A 70 LEU N . 18003 2 174 . 1 1 69 69 LEU H H 1 8.4448 0.02 . 1 . . . A 70 LEU HN . 18003 2 175 . 1 1 69 69 LEU CA C 13 58.2795 0.40 . 1 . . . A 70 LEU CA . 18003 2 176 . 1 1 70 70 ARG N N 15 122.6517 0.40 . 1 . . . A 71 ARG N . 18003 2 177 . 1 1 70 70 ARG H H 1 8.7592 0.02 . 1 . . . A 71 ARG HN . 18003 2 178 . 1 1 70 70 ARG CA C 13 58.9191 0.40 . 1 . . . A 71 ARG CA . 18003 2 179 . 1 1 71 71 ASN N N 15 121.8074 0.40 . 1 . . . A 72 ASN N . 18003 2 180 . 1 1 71 71 ASN H H 1 8.1034 0.02 . 1 . . . A 72 ASN HN . 18003 2 181 . 1 1 71 71 ASN CA C 13 56.1146 0.40 . 1 . . . A 72 ASN CA . 18003 2 182 . 1 1 72 72 LEU N N 15 116.8588 0.40 . 1 . . . A 73 LEU N . 18003 2 183 . 1 1 72 72 LEU H H 1 7.8392 0.02 . 1 . . . A 73 LEU HN . 18003 2 184 . 1 1 72 72 LEU CA C 13 54.9829 0.40 . 1 . . . A 73 LEU CA . 18003 2 185 . 1 1 73 73 GLY N N 15 108.2480 0.40 . 1 . . . A 74 GLY N . 18003 2 186 . 1 1 73 73 GLY H H 1 7.7939 0.02 . 1 . . . A 74 GLY HN . 18003 2 187 . 1 1 74 74 LEU N N 15 113.9104 0.40 . 1 . . . A 75 LEU N . 18003 2 188 . 1 1 74 74 LEU H H 1 7.8323 0.02 . 1 . . . A 75 LEU HN . 18003 2 189 . 1 1 75 75 VAL N N 15 110.7360 0.40 . 1 . . . A 76 VAL N . 18003 2 190 . 1 1 75 75 VAL H H 1 7.1175 0.02 . 1 . . . A 76 VAL HN . 18003 2 191 . 1 1 75 75 VAL CA C 13 58.1811 0.40 . 1 . . . A 76 VAL CA . 18003 2 192 . 1 1 76 76 VAL N N 15 117.8174 0.40 . 1 . . . A 77 VAL N . 18003 2 193 . 1 1 76 76 VAL H H 1 9.0344 0.02 . 1 . . . A 77 VAL HN . 18003 2 194 . 1 1 76 76 VAL CA C 13 60.3460 0.40 . 1 . . . A 77 VAL CA . 18003 2 195 . 1 1 77 77 GLY N N 15 109.2635 0.40 . 1 . . . A 78 GLY N . 18003 2 196 . 1 1 77 77 GLY H H 1 8.2073 0.02 . 1 . . . A 78 GLY HN . 18003 2 197 . 1 1 77 77 GLY CA C 13 44.6504 0.40 . 1 . . . A 78 GLY CA . 18003 2 198 . 1 1 78 78 ASP N N 15 122.6370 0.40 . 1 . . . A 79 ASP N . 18003 2 199 . 1 1 78 78 ASP H H 1 8.4392 0.02 . 1 . . . A 79 ASP HN . 18003 2 200 . 1 1 78 78 ASP CA C 13 53.2116 0.40 . 1 . . . A 79 ASP CA . 18003 2 201 . 1 1 79 79 ARG N N 15 122.6230 0.40 . 1 . . . A 80 ARG N . 18003 2 202 . 1 1 79 79 ARG H H 1 8.5622 0.02 . 1 . . . A 80 ARG HN . 18003 2 203 . 1 1 80 80 ALA N N 15 129.0459 0.40 . 1 . . . A 81 ALA N . 18003 2 204 . 1 1 80 80 ALA H H 1 8.3770 0.02 . 1 . . . A 81 ALA HN . 18003 2 205 . 1 1 80 80 ALA CA C 13 51.8340 0.40 . 1 . . . A 81 ALA CA . 18003 2 206 . 1 1 81 81 GLY N N 15 112.7388 0.40 . 1 . . . A 82 GLY N . 18003 2 207 . 1 1 81 81 GLY H H 1 8.6415 0.02 . 1 . . . A 82 GLY HN . 18003 2 208 . 1 1 82 82 ARG N N 15 124.7803 0.40 . 1 . . . A 83 ARG N . 18003 2 209 . 1 1 82 82 ARG H H 1 8.7283 0.02 . 1 . . . A 83 ARG HN . 18003 2 210 . 1 1 83 83 SER N N 15 114.7307 0.40 . 1 . . . A 84 SER N . 18003 2 211 . 1 1 83 83 SER H H 1 7.8158 0.02 . 1 . . . A 84 SER HN . 18003 2 212 . 1 1 83 83 SER CA C 13 57.3447 0.40 . 1 . . . A 84 SER CA . 18003 2 213 . 1 1 84 84 ILE N N 15 123.0506 0.40 . 1 . . . A 85 ILE N . 18003 2 214 . 1 1 84 84 ILE H H 1 8.2512 0.02 . 1 . . . A 85 ILE HN . 18003 2 215 . 1 1 84 84 ILE CA C 13 60.6412 0.40 . 1 . . . A 85 ILE CA . 18003 2 216 . 1 1 85 85 VAL N N 15 121.9428 0.40 . 1 . . . A 86 VAL N . 18003 2 217 . 1 1 85 85 VAL H H 1 8.4591 0.02 . 1 . . . A 86 VAL HN . 18003 2 218 . 1 1 85 85 VAL CA C 13 60.1000 0.40 . 1 . . . A 86 VAL CA . 18003 2 219 . 1 1 86 86 TYR N N 15 124.7898 0.40 . 1 . . . A 87 TYR N . 18003 2 220 . 1 1 86 86 TYR H H 1 8.4333 0.02 . 1 . . . A 87 TYR HN . 18003 2 221 . 1 1 86 86 TYR CA C 13 57.6399 0.40 . 1 . . . A 87 TYR CA . 18003 2 222 . 1 1 87 87 SER N N 15 110.8055 0.40 . 1 . . . A 88 SER N . 18003 2 223 . 1 1 87 87 SER H H 1 8.6588 0.02 . 1 . . . A 88 SER HN . 18003 2 224 . 1 1 87 87 SER CA C 13 56.2622 0.40 . 1 . . . A 88 SER CA . 18003 2 225 . 1 1 88 88 LEU N N 15 120.1285 0.40 . 1 . . . A 89 LEU N . 18003 2 226 . 1 1 88 88 LEU H H 1 9.0178 0.02 . 1 . . . A 89 LEU HN . 18003 2 227 . 1 1 88 88 LEU CA C 13 55.4258 0.40 . 1 . . . A 89 LEU CA . 18003 2 228 . 1 1 89 89 TYR N N 15 120.3488 0.40 . 1 . . . A 90 TYR N . 18003 2 229 . 1 1 89 89 TYR H H 1 8.0455 0.02 . 1 . . . A 90 TYR HN . 18003 2 230 . 1 1 89 89 TYR CA C 13 61.7729 0.40 . 1 . . . A 90 TYR CA . 18003 2 231 . 1 1 93 93 VAL N N 15 133.7489 0.40 . 1 . . . A 94 VAL N . 18003 2 232 . 1 1 93 93 VAL H H 1 6.9322 0.02 . 1 . . . A 94 VAL HN . 18003 2 233 . 1 1 94 94 ALA N N 15 117.8125 0.40 . 1 . . . A 95 ALA N . 18003 2 234 . 1 1 94 94 ALA H H 1 6.5450 0.02 . 1 . . . A 95 ALA HN . 18003 2 235 . 1 1 95 95 GLN N N 15 133.9189 0.40 . 1 . . . A 96 GLN N . 18003 2 236 . 1 1 95 95 GLN H H 1 6.8228 0.02 . 1 . . . A 96 GLN HN . 18003 2 237 . 1 1 96 96 LEU N N 15 133.7390 0.40 . 1 . . . A 97 LEU N . 18003 2 238 . 1 1 96 96 LEU H H 1 6.6587 0.02 . 1 . . . A 97 LEU HN . 18003 2 239 . 1 1 97 97 LEU N N 15 118.3844 0.40 . 1 . . . A 98 LEU N . 18003 2 240 . 1 1 97 97 LEU H H 1 7.3742 0.02 . 1 . . . A 98 LEU HN . 18003 2 241 . 1 1 98 98 ASP N N 15 118.7071 0.40 . 1 . . . A 99 ASP N . 18003 2 242 . 1 1 98 98 ASP H H 1 7.8684 0.02 . 1 . . . A 99 ASP HN . 18003 2 243 . 1 1 99 99 GLU N N 15 117.7837 0.40 . 1 . . . A 100 GLU N . 18003 2 244 . 1 1 99 99 GLU H H 1 8.4736 0.02 . 1 . . . A 100 GLU HN . 18003 2 245 . 1 1 100 100 ALA N N 15 134.4440 0.40 . 1 . . . A 101 ALA N . 18003 2 246 . 1 1 100 100 ALA H H 1 6.9982 0.02 . 1 . . . A 101 ALA HN . 18003 2 247 . 1 1 101 101 ILE N N 15 134.6097 0.40 . 1 . . . A 102 ILE N . 18003 2 248 . 1 1 101 101 ILE H H 1 6.8752 0.02 . 1 . . . A 102 ILE HN . 18003 2 249 . 1 1 102 102 TYR N N 15 134.6721 0.40 . 1 . . . A 103 TYR N . 18003 2 250 . 1 1 102 102 TYR H H 1 6.7631 0.02 . 1 . . . A 103 TYR HN . 18003 2 251 . 1 1 103 103 HIS N N 15 134.5946 0.40 . 1 . . . A 104 HIS N . 18003 2 252 . 1 1 103 103 HIS H H 1 6.6321 0.02 . 1 . . . A 104 HIS HN . 18003 2 253 . 1 1 104 104 SER N N 15 132.7284 0.40 . 1 . . . A 105 SER N . 18003 2 254 . 1 1 104 104 SER H H 1 7.5068 0.02 . 1 . . . A 105 SER HN . 18003 2 255 . 1 1 105 105 GLU N N 15 132.9907 0.40 . 1 . . . A 106 GLU N . 18003 2 256 . 1 1 105 105 GLU H H 1 7.4096 0.02 . 1 . . . A 106 GLU HN . 18003 2 257 . 1 1 106 106 HIS N N 15 133.0298 0.40 . 1 . . . A 107 HIS N . 18003 2 258 . 1 1 106 106 HIS H H 1 7.2787 0.02 . 1 . . . A 107 HIS HN . 18003 2 259 . 1 1 107 107 LEU N N 15 133.3452 0.40 . 1 . . . A 108 LEU N . 18003 2 260 . 1 1 107 107 LEU H H 1 7.7830 0.02 . 1 . . . A 108 LEU HN . 18003 2 261 . 1 1 108 108 HIS N N 15 133.7666 0.40 . 1 . . . A 109 HIS N . 18003 2 262 . 1 1 108 108 HIS H H 1 7.6880 0.02 . 1 . . . A 109 HIS HN . 18003 2 263 . 1 1 109 109 LEU N N 15 134.0317 0.40 . 1 . . . A 110 LEU N . 18003 2 264 . 1 1 109 109 LEU H H 1 7.5607 0.02 . 1 . . . A 110 LEU HN . 18003 2 265 . 1 1 110 110 GLY N N 15 110.1782 0.40 . 1 . . . A 111 GLY N . 18003 2 266 . 1 1 110 110 GLY H H 1 7.8928 0.02 . 1 . . . A 111 GLY HN . 18003 2 267 . 1 1 111 111 LEU N N 15 121.1310 0.40 . 1 . . . A 112 LEU N . 18003 2 268 . 1 1 111 111 LEU H H 1 7.9680 0.02 . 1 . . . A 112 LEU HN . 18003 2 269 . 1 1 112 112 SER N N 15 115.8524 0.40 . 1 . . . A 113 SER N . 18003 2 270 . 1 1 112 112 SER H H 1 8.1058 0.02 . 1 . . . A 113 SER HN . 18003 2 271 . 1 1 113 113 ASP N N 15 121.8208 0.40 . 1 . . . A 114 ASP N . 18003 2 272 . 1 1 113 113 ASP H H 1 8.1952 0.02 . 1 . . . A 114 ASP HN . 18003 2 273 . 1 1 113 113 ASP CA C 13 54.1465 0.40 . 1 . . . A 114 ASP CA . 18003 2 274 . 1 1 114 114 ARG N N 15 120.1921 0.40 . 1 . . . A 115 ARG N . 18003 2 275 . 1 1 114 114 ARG H H 1 8.0109 0.02 . 1 . . . A 115 ARG HN . 18003 2 276 . 1 1 114 114 ARG CA C 13 55.4750 0.40 . 1 . . . A 115 ARG CA . 18003 2 277 . 1 1 115 115 HIS N N 15 134.3038 0.40 . 1 . . . A 116 HIS N . 18003 2 278 . 1 1 115 115 HIS H H 1 7.2845 0.02 . 1 . . . A 116 HIS HN . 18003 2 279 . 1 1 117 117 SER N N 15 116.5143 0.40 . 1 . . . A 118 SER N . 18003 2 280 . 1 1 117 117 SER H H 1 8.5812 0.02 . 1 . . . A 118 SER HN . 18003 2 281 . 1 1 118 118 ALA N N 15 126.3175 0.40 . 1 . . . A 119 ALA N . 18003 2 282 . 1 1 118 118 ALA H H 1 8.2909 0.02 . 1 . . . A 119 ALA HN . 18003 2 283 . 1 1 118 118 ALA CA C 13 52.6212 0.40 . 1 . . . A 119 ALA CA . 18003 2 284 . 1 1 119 119 GLY N N 15 114.2952 0.40 . 1 . . . A 120 GLY N . 18003 2 285 . 1 1 119 119 GLY H H 1 7.8877 0.02 . 1 . . . A 120 GLY HN . 18003 2 286 . 1 1 119 119 GLY CA C 13 46.5693 0.40 . 1 . . . A 120 GLY CA . 18003 2 stop_ save_