data_16174 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16174 _Entry.Title ; 15N, 13C and 1H resonance assignments for the Rv0287-Rv0288 complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-13 _Entry.Accession_date 2009-02-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 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 Dariush Ilghari . . . 16174 2 Lorna Waters . C. . 16174 3 Vaclave Veverka . . . 16174 4 Frederick Muskett . W. . 16174 5 Mark Carr . D. . 16174 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 16174 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 487 16174 '15N chemical shifts' 197 16174 '1H chemical shifts' 1146 16174 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 . . 2009-11-12 2009-02-13 update BMRB 'complete entry citation' 16174 1 . . 2009-07-22 2009-02-13 original author 'original release' 16174 stop_ save_ ############### # Citations # ############### save_Citation _Citation.Sf_category citations _Citation.Sf_framecode Citation _Citation.Entry_ID 16174 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1007/s12104-009-9167-3 _Citation.PubMed_ID 19888683 _Citation.Full_citation . _Citation.Title '(15)N, (13)C and (1)H resonance assignments and secondary structure determination of the Mycobacterium tuberculosis Rv0287-Rv0288 protein complex.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 3 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 171 _Citation.Page_last 174 _Citation.Year 2009 _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 Dariush Ilghari . . . 16174 1 2 Lorna Waters . C. . 16174 1 3 Vaclav Veverka . . . 16174 1 4 Frederick Muskett . W. . 16174 1 5 Mark Carr . D. . 16174 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16174 _Assembly.ID 1 _Assembly.Name 'Rv0287-Rv0288 complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 20237.6 _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 Rv0287 1 $Rv0287 A . yes native no no . . . 16174 1 2 Rv0288 2 $Rv0288 B . yes native no no . . . 16174 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Unknown 16174 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Rv0287 _Entity.Sf_category entity _Entity.Sf_framecode Rv0287 _Entity.Entry_ID 16174 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Rv0287 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSLLDAHIPQLVASQSAFAA KAGLMRHTIGQAEQAAMSAQ AFHQGESSAAFQAAHARFVA AAAKVNTLLDVAQANLGEAA GTYVAADAAAASTYTGF ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9777.91 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KG7 . "Structure And Features Of The Complex Formed By The Tuberculosis Virulence Factors Rv0287 And Rv0288" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 2 no DBJ BAH24594 . "hypothetical protein TB9.8 [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 3 no DBJ BAL64138 . "hypothetical protein ERDMAN_0321 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 4 no DBJ BAQ04147 . "hypothetical protein KURONO_0326 [Mycobacterium tuberculosis str. Kurono]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 5 no DBJ GAA44081 . "hypothetical protein NCGM2209_0682 [Mycobacterium tuberculosis NCGM2209]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 6 no EMBL CAL70312 . "Conserved hypothetical protein TB9.8 [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 7 no EMBL CCC25361 . "ESAT-6 like protein ESXG (conserved hypothetical protein TB9.8) [Mycobacterium africanum GM041182]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 8 no EMBL CCC42636 . "ESAT-6 like protein ESXG (conserved hypothetical protein TB9.8) [Mycobacterium canettii CIPT 140010059]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 9 no EMBL CCC62888 . "conserved hypothetical protein TB9.8 [Mycobacterium bovis BCG str. Moreau RDJ]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 10 no EMBL CCE35829 . "esxG [Mycobacterium tuberculosis UT205]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 11 no GB AAK44524 . "PE family protein [Mycobacterium tuberculosis CDC1551]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 12 no GB ABQ72014 . "PE family protein [Mycobacterium tuberculosis H37Ra]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 13 no GB ABR04637 . "Esat-6 like protein esxG [Mycobacterium tuberculosis F11]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 14 no GB ACT23320 . "esat-6 like protein esxG [Mycobacterium tuberculosis KZN 1435]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 15 no GB AEB02425 . "esat-6 like protein esxG [Mycobacterium tuberculosis KZN 4207]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 16 no REF NP_214801 . "ESAT-6 like protein EsxG [Mycobacterium tuberculosis H37Rv]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 17 no REF NP_853959 . "hypothetical protein Mb0295 [Mycobacterium bovis AF2122/97]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 18 no REF WP_003401503 . "MULTISPECIES: type VII secretion system protein EsxS [Mycobacterium]" . . . . . 100.00 97 100.00 100.00 1.11e-57 . . . . 16174 1 19 no REF WP_023643653 . "type VII secretion system protein EsxS [Mycobacterium tuberculosis]" . . . . . 100.00 97 98.97 98.97 4.42e-57 . . . . 16174 1 20 no REF WP_031652217 . "type VII secretion protein EsxS [Mycobacterium tuberculosis]" . . . . . 100.00 97 98.97 98.97 4.77e-57 . . . . 16174 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'FUNCTION UNKNOWN' 16174 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 . MET . 16174 1 2 . SER . 16174 1 3 . LEU . 16174 1 4 . LEU . 16174 1 5 . ASP . 16174 1 6 . ALA . 16174 1 7 . HIS . 16174 1 8 . ILE . 16174 1 9 . PRO . 16174 1 10 . GLN . 16174 1 11 . LEU . 16174 1 12 . VAL . 16174 1 13 . ALA . 16174 1 14 . SER . 16174 1 15 . GLN . 16174 1 16 . SER . 16174 1 17 . ALA . 16174 1 18 . PHE . 16174 1 19 . ALA . 16174 1 20 . ALA . 16174 1 21 . LYS . 16174 1 22 . ALA . 16174 1 23 . GLY . 16174 1 24 . LEU . 16174 1 25 . MET . 16174 1 26 . ARG . 16174 1 27 . HIS . 16174 1 28 . THR . 16174 1 29 . ILE . 16174 1 30 . GLY . 16174 1 31 . GLN . 16174 1 32 . ALA . 16174 1 33 . GLU . 16174 1 34 . GLN . 16174 1 35 . ALA . 16174 1 36 . ALA . 16174 1 37 . MET . 16174 1 38 . SER . 16174 1 39 . ALA . 16174 1 40 . GLN . 16174 1 41 . ALA . 16174 1 42 . PHE . 16174 1 43 . HIS . 16174 1 44 . GLN . 16174 1 45 . GLY . 16174 1 46 . GLU . 16174 1 47 . SER . 16174 1 48 . SER . 16174 1 49 . ALA . 16174 1 50 . ALA . 16174 1 51 . PHE . 16174 1 52 . GLN . 16174 1 53 . ALA . 16174 1 54 . ALA . 16174 1 55 . HIS . 16174 1 56 . ALA . 16174 1 57 . ARG . 16174 1 58 . PHE . 16174 1 59 . VAL . 16174 1 60 . ALA . 16174 1 61 . ALA . 16174 1 62 . ALA . 16174 1 63 . ALA . 16174 1 64 . LYS . 16174 1 65 . VAL . 16174 1 66 . ASN . 16174 1 67 . THR . 16174 1 68 . LEU . 16174 1 69 . LEU . 16174 1 70 . ASP . 16174 1 71 . VAL . 16174 1 72 . ALA . 16174 1 73 . GLN . 16174 1 74 . ALA . 16174 1 75 . ASN . 16174 1 76 . LEU . 16174 1 77 . GLY . 16174 1 78 . GLU . 16174 1 79 . ALA . 16174 1 80 . ALA . 16174 1 81 . GLY . 16174 1 82 . THR . 16174 1 83 . TYR . 16174 1 84 . VAL . 16174 1 85 . ALA . 16174 1 86 . ALA . 16174 1 87 . ASP . 16174 1 88 . ALA . 16174 1 89 . ALA . 16174 1 90 . ALA . 16174 1 91 . ALA . 16174 1 92 . SER . 16174 1 93 . THR . 16174 1 94 . TYR . 16174 1 95 . THR . 16174 1 96 . GLY . 16174 1 97 . PHE . 16174 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 . MET 1 1 16174 1 . SER 2 2 16174 1 . LEU 3 3 16174 1 . LEU 4 4 16174 1 . ASP 5 5 16174 1 . ALA 6 6 16174 1 . HIS 7 7 16174 1 . ILE 8 8 16174 1 . PRO 9 9 16174 1 . GLN 10 10 16174 1 . LEU 11 11 16174 1 . VAL 12 12 16174 1 . ALA 13 13 16174 1 . SER 14 14 16174 1 . GLN 15 15 16174 1 . SER 16 16 16174 1 . ALA 17 17 16174 1 . PHE 18 18 16174 1 . ALA 19 19 16174 1 . ALA 20 20 16174 1 . LYS 21 21 16174 1 . ALA 22 22 16174 1 . GLY 23 23 16174 1 . LEU 24 24 16174 1 . MET 25 25 16174 1 . ARG 26 26 16174 1 . HIS 27 27 16174 1 . THR 28 28 16174 1 . ILE 29 29 16174 1 . GLY 30 30 16174 1 . GLN 31 31 16174 1 . ALA 32 32 16174 1 . GLU 33 33 16174 1 . GLN 34 34 16174 1 . ALA 35 35 16174 1 . ALA 36 36 16174 1 . MET 37 37 16174 1 . SER 38 38 16174 1 . ALA 39 39 16174 1 . GLN 40 40 16174 1 . ALA 41 41 16174 1 . PHE 42 42 16174 1 . HIS 43 43 16174 1 . GLN 44 44 16174 1 . GLY 45 45 16174 1 . GLU 46 46 16174 1 . SER 47 47 16174 1 . SER 48 48 16174 1 . ALA 49 49 16174 1 . ALA 50 50 16174 1 . PHE 51 51 16174 1 . GLN 52 52 16174 1 . ALA 53 53 16174 1 . ALA 54 54 16174 1 . HIS 55 55 16174 1 . ALA 56 56 16174 1 . ARG 57 57 16174 1 . PHE 58 58 16174 1 . VAL 59 59 16174 1 . ALA 60 60 16174 1 . ALA 61 61 16174 1 . ALA 62 62 16174 1 . ALA 63 63 16174 1 . LYS 64 64 16174 1 . VAL 65 65 16174 1 . ASN 66 66 16174 1 . THR 67 67 16174 1 . LEU 68 68 16174 1 . LEU 69 69 16174 1 . ASP 70 70 16174 1 . VAL 71 71 16174 1 . ALA 72 72 16174 1 . GLN 73 73 16174 1 . ALA 74 74 16174 1 . ASN 75 75 16174 1 . LEU 76 76 16174 1 . GLY 77 77 16174 1 . GLU 78 78 16174 1 . ALA 79 79 16174 1 . ALA 80 80 16174 1 . GLY 81 81 16174 1 . THR 82 82 16174 1 . TYR 83 83 16174 1 . VAL 84 84 16174 1 . ALA 85 85 16174 1 . ALA 86 86 16174 1 . ASP 87 87 16174 1 . ALA 88 88 16174 1 . ALA 89 89 16174 1 . ALA 90 90 16174 1 . ALA 91 91 16174 1 . SER 92 92 16174 1 . THR 93 93 16174 1 . TYR 94 94 16174 1 . THR 95 95 16174 1 . GLY 96 96 16174 1 . PHE 97 97 16174 1 stop_ save_ save_Rv0288 _Entity.Sf_category entity _Entity.Sf_framecode Rv0288 _Entity.Entry_ID 16174 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name Rv0288 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SMSQIMYNYPAMLGHAGDMA GYAGTLQSLGAEIAVEQAAL QSAWQGDTGITYQAWQAQWN QAMEDLVRAYHAMSSTHEAN TMAMMARDTAEAAKWGG ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10477.6 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KG7 . "Structure And Features Of The Complex Formed By The Tuberculosis Virulence Factors Rv0287 And Rv0288" . . . . . 100.00 97 100.00 100.00 4.00e-61 . . . . 16174 2 2 no DBJ BAH24595 . "low molecular weight protein antigen 7 [Mycobacterium bovis BCG str. Tokyo 172]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 3 no DBJ BAL64139 . "low molecular weight protein antigen 7 [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 4 no DBJ BAQ04148 . "low molecular weight protein antigen 7 [Mycobacterium tuberculosis str. Kurono]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 5 no DBJ GAA44082 . "low molecular weight protein antigen 7 [Mycobacterium tuberculosis NCGM2209]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 6 no EMBL CAA05168 . "10 kDA protein [Mycobacterium tuberculosis str. Erdman = ATCC 35801]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 7 no EMBL CAD93160 . "LOW MOLECULAR WEIGHT PROTEIN ANTIGEN 7 CFP7 (10 kDa ANTIGEN) (CFP-7) (PROTEIN TB10.4) [Mycobacterium bovis AF2122/97]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 8 no EMBL CAL70313 . "Low molecular weight protein antigen 7 cfp7 [Mycobacterium bovis BCG str. Pasteur 1173P2]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 9 no EMBL CCC25362 . "low molecular weight protein antigen 7 EsxH (10 kDa antigen) (CFP-7) (protein TB10.4) [Mycobacterium africanum GM041182]" . . . . . 98.97 96 98.96 100.00 3.40e-60 . . . . 16174 2 10 no EMBL CCC42637 . "low molecular weight protein antigen 7 ESXH (10 kDa antigen) (CFP-7) (protein TB10.4) [Mycobacterium canettii CIPT 140010059]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 11 no GB AAK44525 . "secreted antigen, putative [Mycobacterium tuberculosis CDC1551]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 12 no GB ABQ72015 . "antigen Esxh [Mycobacterium tuberculosis H37Ra]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 13 no GB ABR04638 . "low molecular weight protein antigen 7 esxH (10 kda antigen) (protein TB10.4) [Mycobacterium tuberculosis F11]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 14 no GB ACT23321 . "low molecular weight protein antigen 7 esxH [Mycobacterium tuberculosis KZN 1435]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 15 no GB AEB02426 . "low molecular weight protein antigen 7 esxH [Mycobacterium tuberculosis KZN 4207]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 16 no REF NP_214802 . "ESAT-6-like protein EsxH [Mycobacterium tuberculosis H37Rv]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 17 no REF NP_334711 . "secreted antigen [Mycobacterium tuberculosis CDC1551]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 18 no REF NP_853960 . "low molecular weight protein antigen 7 CFP7 (10 kDa antigen) (CFP-7) (protein TB10.4) [Mycobacterium bovis AF2122/97]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 19 no REF WP_003401514 . "MULTISPECIES: EsxH [Mycobacterium tuberculosis complex]" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 20 no REF WP_003902934 . "EsxH [Mycobacterium tuberculosis]" . . . . . 98.97 96 98.96 98.96 1.96e-59 . . . . 16174 2 21 no SP P0A569 . "RecName: Full=ESAT-6-like protein EsxH; AltName: Full=10 kDa antigen CFP7; Short=CFP-7; AltName: Full=Low molecular weight prot" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 22 no SP P9WNK2 . "RecName: Full=ESAT-6-like protein EsxH; AltName: Full=10 kDa antigen CFP7; Short=CFP-7; AltName: Full=Low molecular weight prot" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 23 no SP P9WNK3 . "RecName: Full=ESAT-6-like protein EsxH; AltName: Full=10 kDa antigen CFP7; Short=CFP-7; AltName: Full=Low molecular weight prot" . . . . . 98.97 96 100.00 100.00 1.79e-60 . . . . 16174 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'FUNCTION UNKNOWN' 16174 2 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 1 601 SER . 16174 2 2 602 MET . 16174 2 3 603 SER . 16174 2 4 604 GLN . 16174 2 5 605 ILE . 16174 2 6 606 MET . 16174 2 7 607 TYR . 16174 2 8 608 ASN . 16174 2 9 609 TYR . 16174 2 10 610 PRO . 16174 2 11 611 ALA . 16174 2 12 612 MET . 16174 2 13 613 LEU . 16174 2 14 614 GLY . 16174 2 15 615 HIS . 16174 2 16 616 ALA . 16174 2 17 617 GLY . 16174 2 18 618 ASP . 16174 2 19 619 MET . 16174 2 20 620 ALA . 16174 2 21 621 GLY . 16174 2 22 622 TYR . 16174 2 23 623 ALA . 16174 2 24 624 GLY . 16174 2 25 625 THR . 16174 2 26 626 LEU . 16174 2 27 627 GLN . 16174 2 28 628 SER . 16174 2 29 629 LEU . 16174 2 30 630 GLY . 16174 2 31 631 ALA . 16174 2 32 632 GLU . 16174 2 33 633 ILE . 16174 2 34 634 ALA . 16174 2 35 635 VAL . 16174 2 36 636 GLU . 16174 2 37 637 GLN . 16174 2 38 638 ALA . 16174 2 39 639 ALA . 16174 2 40 640 LEU . 16174 2 41 641 GLN . 16174 2 42 642 SER . 16174 2 43 643 ALA . 16174 2 44 644 TRP . 16174 2 45 645 GLN . 16174 2 46 646 GLY . 16174 2 47 647 ASP . 16174 2 48 648 THR . 16174 2 49 649 GLY . 16174 2 50 650 ILE . 16174 2 51 651 THR . 16174 2 52 652 TYR . 16174 2 53 653 GLN . 16174 2 54 654 ALA . 16174 2 55 655 TRP . 16174 2 56 656 GLN . 16174 2 57 657 ALA . 16174 2 58 658 GLN . 16174 2 59 659 TRP . 16174 2 60 660 ASN . 16174 2 61 661 GLN . 16174 2 62 662 ALA . 16174 2 63 663 MET . 16174 2 64 664 GLU . 16174 2 65 665 ASP . 16174 2 66 666 LEU . 16174 2 67 667 VAL . 16174 2 68 668 ARG . 16174 2 69 669 ALA . 16174 2 70 670 TYR . 16174 2 71 671 HIS . 16174 2 72 672 ALA . 16174 2 73 673 MET . 16174 2 74 674 SER . 16174 2 75 675 SER . 16174 2 76 676 THR . 16174 2 77 677 HIS . 16174 2 78 678 GLU . 16174 2 79 679 ALA . 16174 2 80 680 ASN . 16174 2 81 681 THR . 16174 2 82 682 MET . 16174 2 83 683 ALA . 16174 2 84 684 MET . 16174 2 85 685 MET . 16174 2 86 686 ALA . 16174 2 87 687 ARG . 16174 2 88 688 ASP . 16174 2 89 689 THR . 16174 2 90 690 ALA . 16174 2 91 691 GLU . 16174 2 92 692 ALA . 16174 2 93 693 ALA . 16174 2 94 694 LYS . 16174 2 95 695 TRP . 16174 2 96 696 GLY . 16174 2 97 697 GLY . 16174 2 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 . SER 1 1 16174 2 . MET 2 2 16174 2 . SER 3 3 16174 2 . GLN 4 4 16174 2 . ILE 5 5 16174 2 . MET 6 6 16174 2 . TYR 7 7 16174 2 . ASN 8 8 16174 2 . TYR 9 9 16174 2 . PRO 10 10 16174 2 . ALA 11 11 16174 2 . MET 12 12 16174 2 . LEU 13 13 16174 2 . GLY 14 14 16174 2 . HIS 15 15 16174 2 . ALA 16 16 16174 2 . GLY 17 17 16174 2 . ASP 18 18 16174 2 . MET 19 19 16174 2 . ALA 20 20 16174 2 . GLY 21 21 16174 2 . TYR 22 22 16174 2 . ALA 23 23 16174 2 . GLY 24 24 16174 2 . THR 25 25 16174 2 . LEU 26 26 16174 2 . GLN 27 27 16174 2 . SER 28 28 16174 2 . LEU 29 29 16174 2 . GLY 30 30 16174 2 . ALA 31 31 16174 2 . GLU 32 32 16174 2 . ILE 33 33 16174 2 . ALA 34 34 16174 2 . VAL 35 35 16174 2 . GLU 36 36 16174 2 . GLN 37 37 16174 2 . ALA 38 38 16174 2 . ALA 39 39 16174 2 . LEU 40 40 16174 2 . GLN 41 41 16174 2 . SER 42 42 16174 2 . ALA 43 43 16174 2 . TRP 44 44 16174 2 . GLN 45 45 16174 2 . GLY 46 46 16174 2 . ASP 47 47 16174 2 . THR 48 48 16174 2 . GLY 49 49 16174 2 . ILE 50 50 16174 2 . THR 51 51 16174 2 . TYR 52 52 16174 2 . GLN 53 53 16174 2 . ALA 54 54 16174 2 . TRP 55 55 16174 2 . GLN 56 56 16174 2 . ALA 57 57 16174 2 . GLN 58 58 16174 2 . TRP 59 59 16174 2 . ASN 60 60 16174 2 . GLN 61 61 16174 2 . ALA 62 62 16174 2 . MET 63 63 16174 2 . GLU 64 64 16174 2 . ASP 65 65 16174 2 . LEU 66 66 16174 2 . VAL 67 67 16174 2 . ARG 68 68 16174 2 . ALA 69 69 16174 2 . TYR 70 70 16174 2 . HIS 71 71 16174 2 . ALA 72 72 16174 2 . MET 73 73 16174 2 . SER 74 74 16174 2 . SER 75 75 16174 2 . THR 76 76 16174 2 . HIS 77 77 16174 2 . GLU 78 78 16174 2 . ALA 79 79 16174 2 . ASN 80 80 16174 2 . THR 81 81 16174 2 . MET 82 82 16174 2 . ALA 83 83 16174 2 . MET 84 84 16174 2 . MET 85 85 16174 2 . ALA 86 86 16174 2 . ARG 87 87 16174 2 . ASP 88 88 16174 2 . THR 89 89 16174 2 . ALA 90 90 16174 2 . GLU 91 91 16174 2 . ALA 92 92 16174 2 . ALA 93 93 16174 2 . LYS 94 94 16174 2 . TRP 95 95 16174 2 . GLY 96 96 16174 2 . GLY 97 97 16174 2 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 16174 _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 $Rv0287 . 1773 organism . 'Mycobacterium tuberculosis' tuberculosis . . Bacteria . Mycobacterium tuberculosis H37Rv . . . . . . . . . . . . . . . Rv0287 . . . . 16174 1 2 2 $Rv0288 . 1773 organism . 'Mycobacterium tuberculosis' tuberculosis . . Bacteria . Mycobacterium tuberculosis H37Rv . . . . . . . . . . . . . . . Rv0288 . . . . 16174 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 16174 _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 $Rv0287 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pLEICS-01 . . . . . . 16174 1 2 2 $Rv0288 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pLECS-01 . . . . . . 16174 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16174 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Labelled Rv0287. unlabelled Rv0288, Sodium phosphate, NaCl, PMSF, Sodium Azide' _Sample.Aggregate_sample_number 3 _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 Rv0287 '[U-98% 15N]' . . 1 $Rv0287 . . .7 . . mM . . . . 16174 1 2 Rv0288 'natural abundance' . . 2 $Rv0288 . . .7 . . mM . . . . 16174 1 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16174 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16174 1 5 PMSF 'natural abundance' . . . . . . 100 . . uM . . . . 16174 1 6 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 16174 1 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16174 1 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16174 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16174 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Labelled Rv0288. unlabelled Rv0287, Sodium phosphate, NaCl, PMSF, Sodium Azide' _Sample.Aggregate_sample_number 3 _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 Rv0288 '[U-98% 15N]' . . 2 $Rv0288 . . .7 . . mM . . . . 16174 2 2 Rv0287 'natural abundance' . . 1 $Rv0287 . . .7 . . mM . . . . 16174 2 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16174 2 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16174 2 5 PMSF 'natural abundance' . . . . . . 100 . . uM . . . . 16174 2 6 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 16174 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16174 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16174 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16174 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Labelled Rv0287. unlabelled Rv0288, Sodium phosphate, NaCl, PMSF, Sodium Azide' _Sample.Aggregate_sample_number 2 _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 Rv0287 '[U-99% 13C]' . . 1 $Rv0287 . . 1 . . mM . . . . 16174 3 2 Rv0288 'natural abundance' . . 2 $Rv0288 . . 1 . . mM . . . . 16174 3 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16174 3 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16174 3 5 PMSF 'natural abundance' . . . . . . 100 . . uM . . . . 16174 3 6 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 16174 3 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16174 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 16174 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Labelled Rv0288. unlabelled Rv0287, Sodium phosphate, NaCl, PMSF, Sodium Azide' _Sample.Aggregate_sample_number 2 _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 Rv0288 '[U-99% 13C]' . . 2 $Rv0288 . . 1 . . mM . . . . 16174 4 2 Rv0287 'natural abundance' . . 1 $Rv0287 . . 1 . . mM . . . . 16174 4 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16174 4 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16174 4 5 PMSF 'natural abundance' . . . . . . 100 . . uM . . . . 16174 4 6 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 16174 4 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16174 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 16174 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Labelled Rv0287. unlabelled Rv0288, Sodium phosphate, NaCl, PMSF, Sodium Azide' _Sample.Aggregate_sample_number 4 _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 Rv0287 '[U-99% 13C; U-98% 15N]' . . 1 $Rv0287 . . 1 . . mM . . . . 16174 5 2 Rv0288 'natural abundance' . . 2 $Rv0288 . . 1 . . mM . . . . 16174 5 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16174 5 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16174 5 5 PMSF 'natural abundance' . . . . . . 100 . . uM . . . . 16174 5 6 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 16174 5 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16174 5 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16174 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 16174 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Labelled Rv0288. unlabelled Rv0287, Sodium phosphate, NaCl, PMSF, Sodium Azide' _Sample.Aggregate_sample_number 4 _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 Rv0288 '[U-99% 13C; U-98% 15N]' . . 2 $Rv0288 . . 1 . . mM . . . . 16174 6 2 Rv0287 'natural abundance' . . 1 $Rv0287 . . 1 . . mM . . . . 16174 6 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16174 6 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16174 6 5 PMSF 'natural abundance' . . . . . . 100 . . uM . . . . 16174 6 6 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 16174 6 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16174 6 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16174 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 16174 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Unlabelled Rv0287. unlabelled Rv0288, Sodium phosphate, NaCl, PMSF, Sodium Azide' _Sample.Aggregate_sample_number 2 _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 Rv0288 'natural abundance' . . 2 $Rv0288 . . .7 . . mM . . . . 16174 7 2 Rv0287 'natural abundance' . . 1 $Rv0287 . . .7 . . mM . . . . 16174 7 3 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 16174 7 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 16174 7 5 PMSF 'natural abundance' . . . . . . 100 . . uM . . . . 16174 7 6 'sodium azide' 'natural abundance' . . . . . . .02 . . % . . . . 16174 7 7 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16174 7 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 16174 _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' .125 . mM 16174 1 pH 6.5 . pH 16174 1 pressure 1 . atm 16174 1 temperature 308 . K 16174 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16174 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 'Bruker Topspin 2.0' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16174 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16174 1 processing 16174 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16174 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.110 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16174 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16174 2 'peak picking' 16174 2 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 16174 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 16174 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16174 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16174 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16174 1 2 spectrometer_2 Bruker Avance . 800 . . . 16174 1 3 spectrometer_3 Bruker DRX . 600 . . . 16174 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 16174 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 16174 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16174 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16174 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16174 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16174 1 6 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16174 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16174 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16174 1 9 '3D HNCA' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16174 1 10 '3D HNCACB' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16174 1 11 '3D CBCA (CO) NH' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16174 1 12 'TROSY HNCOCA' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16174 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16174 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16174 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16174 1 16 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16174 1 17 '3D HCCH-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16174 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16174 1 19 '3D HNCA' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16174 1 20 '3D HNCACB' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16174 1 21 '3D CBCA(CO)NH' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16174 1 22 'TROSY HNCOCA' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16174 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 16174 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16174 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16174 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16174 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_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shifts _Assigned_chem_shift_list.Entry_ID 16174 _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 _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 '2D 1H-15N HSQC' . . . 16174 1 2 '2D 1H-13C HSQC' . . . 16174 1 3 '2D 1H-1H TOCSY' . . . 16174 1 4 '2D 1H-1H NOESY' . . . 16174 1 5 '3D 1H-15N NOESY' . . . 16174 1 7 '3D HCCH-TOCSY' . . . 16174 1 8 '3D 1H-13C NOESY' . . . 16174 1 9 '3D HNCA' . . . 16174 1 10 '3D HNCACB' . . . 16174 1 11 '3D CBCA (CO) NH' . . . 16174 1 12 'TROSY HNCOCA' . . . 16174 1 13 '2D 1H-15N HSQC' . . . 16174 1 14 '2D 1H-13C HSQC' . . . 16174 1 15 '3D 1H-15N NOESY' . . . 16174 1 16 '3D 1H-15N TOCSY' . . . 16174 1 18 '3D 1H-13C NOESY' . . . 16174 1 19 '3D HNCA' . . . 16174 1 20 '3D HNCACB' . . . 16174 1 21 '3D CBCA(CO)NH' . . . 16174 1 22 'TROSY HNCOCA' . . . 16174 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 16174 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.050 0.020 . 1 . . . . 1 MET HE . 16174 1 2 . 1 1 1 1 MET HE2 H 1 2.050 0.020 . 1 . . . . 1 MET HE . 16174 1 3 . 1 1 1 1 MET HE3 H 1 2.050 0.020 . 1 . . . . 1 MET HE . 16174 1 4 . 1 1 1 1 MET CA C 13 54.561 0.400 . 1 . . . . 1 MET CA . 16174 1 5 . 1 1 1 1 MET CE C 13 24.503 0.400 . 1 . . . . 1 MET CE . 16174 1 6 . 1 1 2 2 SER H H 1 8.280 0.020 . 1 . . . . 2 SER H . 16174 1 7 . 1 1 2 2 SER HA H 1 4.459 0.020 . 1 . . . . 2 SER HA . 16174 1 8 . 1 1 2 2 SER HB2 H 1 3.857 0.020 . 2 . . . . 2 SER HB2 . 16174 1 9 . 1 1 2 2 SER HB3 H 1 3.857 0.020 . 2 . . . . 2 SER HB3 . 16174 1 10 . 1 1 2 2 SER CA C 13 58.378 0.400 . 1 . . . . 2 SER CA . 16174 1 11 . 1 1 2 2 SER CB C 13 64.204 0.400 . 1 . . . . 2 SER CB . 16174 1 12 . 1 1 2 2 SER N N 15 121.400 0.400 . 1 . . . . 2 SER N . 16174 1 13 . 1 1 3 3 LEU H H 1 8.405 0.020 . 1 . . . . 3 LEU H . 16174 1 14 . 1 1 3 3 LEU HA H 1 4.391 0.020 . 1 . . . . 3 LEU HA . 16174 1 15 . 1 1 3 3 LEU HB2 H 1 1.639 0.020 . 2 . . . . 3 LEU HB2 . 16174 1 16 . 1 1 3 3 LEU HB3 H 1 1.639 0.020 . 2 . . . . 3 LEU HB3 . 16174 1 17 . 1 1 3 3 LEU CA C 13 55.523 0.400 . 1 . . . . 3 LEU CA . 16174 1 18 . 1 1 3 3 LEU CB C 13 42.184 0.400 . 1 . . . . 3 LEU CB . 16174 1 19 . 1 1 3 3 LEU N N 15 124.239 0.400 . 1 . . . . 3 LEU N . 16174 1 20 . 1 1 4 4 LEU H H 1 8.168 0.020 . 1 . . . . 4 LEU H . 16174 1 21 . 1 1 4 4 LEU HA H 1 4.355 0.020 . 1 . . . . 4 LEU HA . 16174 1 22 . 1 1 4 4 LEU HB2 H 1 1.637 0.020 . 2 . . . . 4 LEU HB2 . 16174 1 23 . 1 1 4 4 LEU HB3 H 1 1.637 0.020 . 2 . . . . 4 LEU HB3 . 16174 1 24 . 1 1 4 4 LEU HD11 H 1 0.907 0.020 . 2 . . . . 4 LEU HD1 . 16174 1 25 . 1 1 4 4 LEU HD12 H 1 0.907 0.020 . 2 . . . . 4 LEU HD1 . 16174 1 26 . 1 1 4 4 LEU HD13 H 1 0.907 0.020 . 2 . . . . 4 LEU HD1 . 16174 1 27 . 1 1 4 4 LEU HD21 H 1 0.875 0.020 . 2 . . . . 4 LEU HD2 . 16174 1 28 . 1 1 4 4 LEU HD22 H 1 0.875 0.020 . 2 . . . . 4 LEU HD2 . 16174 1 29 . 1 1 4 4 LEU HD23 H 1 0.875 0.020 . 2 . . . . 4 LEU HD2 . 16174 1 30 . 1 1 4 4 LEU HG H 1 1.632 0.020 . 1 . . . . 4 LEU HG . 16174 1 31 . 1 1 4 4 LEU CA C 13 55.581 0.400 . 1 . . . . 4 LEU CA . 16174 1 32 . 1 1 4 4 LEU CB C 13 42.262 0.400 . 1 . . . . 4 LEU CB . 16174 1 33 . 1 1 4 4 LEU CD1 C 13 24.883 0.400 . 1 . . . . 4 LEU CD1 . 16174 1 34 . 1 1 4 4 LEU CD2 C 13 23.593 0.400 . 1 . . . . 4 LEU CD2 . 16174 1 35 . 1 1 4 4 LEU CG C 13 27.081 0.400 . 1 . . . . 4 LEU CG . 16174 1 36 . 1 1 4 4 LEU N N 15 121.422 0.400 . 1 . . . . 4 LEU N . 16174 1 37 . 1 1 5 5 ASP H H 1 8.062 0.020 . 1 . . . . 5 ASP H . 16174 1 38 . 1 1 5 5 ASP HA H 1 4.550 0.020 . 1 . . . . 5 ASP HA . 16174 1 39 . 1 1 5 5 ASP HB2 H 1 2.642 0.020 . 2 . . . . 5 ASP HB2 . 16174 1 40 . 1 1 5 5 ASP HB3 H 1 2.642 0.020 . 2 . . . . 5 ASP HB3 . 16174 1 41 . 1 1 5 5 ASP CA C 13 54.608 0.400 . 1 . . . . 5 ASP CA . 16174 1 42 . 1 1 5 5 ASP CB C 13 41.326 0.400 . 1 . . . . 5 ASP CB . 16174 1 43 . 1 1 5 5 ASP N N 15 120.563 0.400 . 1 . . . . 5 ASP N . 16174 1 44 . 1 1 6 6 ALA H H 1 8.005 0.020 . 1 . . . . 6 ALA H . 16174 1 45 . 1 1 6 6 ALA HA H 1 4.260 0.020 . 1 . . . . 6 ALA HA . 16174 1 46 . 1 1 6 6 ALA HB1 H 1 1.358 0.020 . 1 . . . . 6 ALA HB . 16174 1 47 . 1 1 6 6 ALA HB2 H 1 1.358 0.020 . 1 . . . . 6 ALA HB . 16174 1 48 . 1 1 6 6 ALA HB3 H 1 1.358 0.020 . 1 . . . . 6 ALA HB . 16174 1 49 . 1 1 6 6 ALA CA C 13 52.770 0.400 . 1 . . . . 6 ALA CA . 16174 1 50 . 1 1 6 6 ALA CB C 13 19.345 0.400 . 1 . . . . 6 ALA CB . 16174 1 51 . 1 1 6 6 ALA N N 15 123.418 0.400 . 1 . . . . 6 ALA N . 16174 1 52 . 1 1 7 7 HIS H H 1 8.309 0.020 . 1 . . . . 7 HIS H . 16174 1 53 . 1 1 7 7 HIS HA H 1 4.603 0.020 . 1 . . . . 7 HIS HA . 16174 1 54 . 1 1 7 7 HIS HB2 H 1 3.114 0.020 . 2 . . . . 7 HIS HB2 . 16174 1 55 . 1 1 7 7 HIS HB3 H 1 3.114 0.020 . 2 . . . . 7 HIS HB3 . 16174 1 56 . 1 1 7 7 HIS CA C 13 56.117 0.400 . 1 . . . . 7 HIS CA . 16174 1 57 . 1 1 7 7 HIS CB C 13 30.242 0.400 . 1 . . . . 7 HIS CB . 16174 1 58 . 1 1 7 7 HIS N N 15 117.844 0.400 . 1 . . . . 7 HIS N . 16174 1 59 . 1 1 8 8 ILE H H 1 7.923 0.020 . 1 . . . . 8 ILE H . 16174 1 60 . 1 1 8 8 ILE HA H 1 4.357 0.020 . 1 . . . . 8 ILE HA . 16174 1 61 . 1 1 8 8 ILE HB H 1 1.862 0.020 . 1 . . . . 8 ILE HB . 16174 1 62 . 1 1 8 8 ILE HD11 H 1 0.835 0.020 . 1 . . . . 8 ILE HD1 . 16174 1 63 . 1 1 8 8 ILE HD12 H 1 0.835 0.020 . 1 . . . . 8 ILE HD1 . 16174 1 64 . 1 1 8 8 ILE HD13 H 1 0.835 0.020 . 1 . . . . 8 ILE HD1 . 16174 1 65 . 1 1 8 8 ILE HG12 H 1 1.439 0.020 . 2 . . . . 8 ILE HG12 . 16174 1 66 . 1 1 8 8 ILE HG13 H 1 1.100 0.020 . 2 . . . . 8 ILE HG13 . 16174 1 67 . 1 1 8 8 ILE HG21 H 1 0.903 0.020 . 1 . . . . 8 ILE HG2 . 16174 1 68 . 1 1 8 8 ILE HG22 H 1 0.903 0.020 . 1 . . . . 8 ILE HG2 . 16174 1 69 . 1 1 8 8 ILE HG23 H 1 0.903 0.020 . 1 . . . . 8 ILE HG2 . 16174 1 70 . 1 1 8 8 ILE CA C 13 59.249 0.400 . 1 . . . . 8 ILE CA . 16174 1 71 . 1 1 8 8 ILE CB C 13 38.282 0.400 . 1 . . . . 8 ILE CB . 16174 1 72 . 1 1 8 8 ILE CD1 C 13 12.628 0.400 . 1 . . . . 8 ILE CD1 . 16174 1 73 . 1 1 8 8 ILE CG1 C 13 27.033 0.400 . 1 . . . . 8 ILE CG1 . 16174 1 74 . 1 1 8 8 ILE CG2 C 13 17.235 0.400 . 1 . . . . 8 ILE CG2 . 16174 1 75 . 1 1 8 8 ILE N N 15 123.382 0.400 . 1 . . . . 8 ILE N . 16174 1 76 . 1 1 9 9 PRO HA H 1 4.349 0.020 . 1 . . . . 9 PRO HA . 16174 1 77 . 1 1 9 9 PRO HB2 H 1 2.305 0.020 . 2 . . . . 9 PRO HB2 . 16174 1 78 . 1 1 9 9 PRO HB3 H 1 1.878 0.020 . 2 . . . . 9 PRO HB3 . 16174 1 79 . 1 1 9 9 PRO HD2 H 1 3.807 0.020 . 2 . . . . 9 PRO HD2 . 16174 1 80 . 1 1 9 9 PRO HD3 H 1 3.651 0.020 . 2 . . . . 9 PRO HD3 . 16174 1 81 . 1 1 9 9 PRO HG2 H 1 2.050 0.020 . 2 . . . . 9 PRO HG2 . 16174 1 82 . 1 1 9 9 PRO HG3 H 1 1.969 0.020 . 2 . . . . 9 PRO HG3 . 16174 1 83 . 1 1 9 9 PRO CA C 13 63.739 0.400 . 1 . . . . 9 PRO CA . 16174 1 84 . 1 1 9 9 PRO CB C 13 32.056 0.400 . 1 . . . . 9 PRO CB . 16174 1 85 . 1 1 9 9 PRO CD C 13 50.960 0.400 . 1 . . . . 9 PRO CD . 16174 1 86 . 1 1 9 9 PRO CG C 13 27.501 0.400 . 1 . . . . 9 PRO CG . 16174 1 87 . 1 1 10 10 GLN H H 1 8.361 0.020 . 1 . . . . 10 GLN H . 16174 1 88 . 1 1 10 10 GLN HA H 1 4.269 0.020 . 1 . . . . 10 GLN HA . 16174 1 89 . 1 1 10 10 GLN HB2 H 1 2.074 0.020 . 2 . . . . 10 GLN HB2 . 16174 1 90 . 1 1 10 10 GLN HB3 H 1 2.006 0.020 . 2 . . . . 10 GLN HB3 . 16174 1 91 . 1 1 10 10 GLN HE21 H 1 7.396 0.020 . 2 . . . . 10 GLN HE21 . 16174 1 92 . 1 1 10 10 GLN HE22 H 1 6.787 0.020 . 2 . . . . 10 GLN HE22 . 16174 1 93 . 1 1 10 10 GLN HG2 H 1 2.388 0.020 . 2 . . . . 10 GLN HG2 . 16174 1 94 . 1 1 10 10 GLN HG3 H 1 2.388 0.020 . 2 . . . . 10 GLN HG3 . 16174 1 95 . 1 1 10 10 GLN CA C 13 56.417 0.400 . 1 . . . . 10 GLN CA . 16174 1 96 . 1 1 10 10 GLN CB C 13 29.270 0.400 . 1 . . . . 10 GLN CB . 16174 1 97 . 1 1 10 10 GLN CG C 13 33.937 0.400 . 1 . . . . 10 GLN CG . 16174 1 98 . 1 1 10 10 GLN N N 15 119.051 0.400 . 1 . . . . 10 GLN N . 16174 1 99 . 1 1 10 10 GLN NE2 N 15 111.005 0.400 . 1 . . . . 10 GLN NE2 . 16174 1 100 . 1 1 11 11 LEU H H 1 8.186 0.020 . 1 . . . . 11 LEU H . 16174 1 101 . 1 1 11 11 LEU HA H 1 4.314 0.020 . 1 . . . . 11 LEU HA . 16174 1 102 . 1 1 11 11 LEU HB2 H 1 1.631 0.020 . 2 . . . . 11 LEU HB2 . 16174 1 103 . 1 1 11 11 LEU HB3 H 1 1.597 0.020 . 2 . . . . 11 LEU HB3 . 16174 1 104 . 1 1 11 11 LEU HD11 H 1 0.904 0.020 . 2 . . . . 11 LEU HD1 . 16174 1 105 . 1 1 11 11 LEU HD12 H 1 0.904 0.020 . 2 . . . . 11 LEU HD1 . 16174 1 106 . 1 1 11 11 LEU HD13 H 1 0.904 0.020 . 2 . . . . 11 LEU HD1 . 16174 1 107 . 1 1 11 11 LEU HD21 H 1 0.861 0.020 . 2 . . . . 11 LEU HD2 . 16174 1 108 . 1 1 11 11 LEU HD22 H 1 0.861 0.020 . 2 . . . . 11 LEU HD2 . 16174 1 109 . 1 1 11 11 LEU HD23 H 1 0.861 0.020 . 2 . . . . 11 LEU HD2 . 16174 1 110 . 1 1 11 11 LEU HG H 1 1.602 0.020 . 1 . . . . 11 LEU HG . 16174 1 111 . 1 1 11 11 LEU CA C 13 55.559 0.400 . 1 . . . . 11 LEU CA . 16174 1 112 . 1 1 11 11 LEU CB C 13 42.244 0.400 . 1 . . . . 11 LEU CB . 16174 1 113 . 1 1 11 11 LEU CD1 C 13 24.889 0.400 . 1 . . . . 11 LEU CD1 . 16174 1 114 . 1 1 11 11 LEU CD2 C 13 23.575 0.400 . 1 . . . . 11 LEU CD2 . 16174 1 115 . 1 1 11 11 LEU CG C 13 27.087 0.400 . 1 . . . . 11 LEU CG . 16174 1 116 . 1 1 11 11 LEU N N 15 121.318 0.400 . 1 . . . . 11 LEU N . 16174 1 117 . 1 1 12 12 VAL H H 1 7.989 0.020 . 1 . . . . 12 VAL H . 16174 1 118 . 1 1 12 12 VAL HA H 1 4.051 0.020 . 1 . . . . 12 VAL HA . 16174 1 119 . 1 1 12 12 VAL HB H 1 2.074 0.020 . 1 . . . . 12 VAL HB . 16174 1 120 . 1 1 12 12 VAL HG11 H 1 0.941 0.020 . 2 . . . . 12 VAL HG1 . 16174 1 121 . 1 1 12 12 VAL HG12 H 1 0.941 0.020 . 2 . . . . 12 VAL HG1 . 16174 1 122 . 1 1 12 12 VAL HG13 H 1 0.941 0.020 . 2 . . . . 12 VAL HG1 . 16174 1 123 . 1 1 12 12 VAL HG21 H 1 0.941 0.020 . 2 . . . . 12 VAL HG2 . 16174 1 124 . 1 1 12 12 VAL HG22 H 1 0.941 0.020 . 2 . . . . 12 VAL HG2 . 16174 1 125 . 1 1 12 12 VAL HG23 H 1 0.941 0.020 . 2 . . . . 12 VAL HG2 . 16174 1 126 . 1 1 12 12 VAL CA C 13 62.967 0.400 . 1 . . . . 12 VAL CA . 16174 1 127 . 1 1 12 12 VAL CB C 13 32.631 0.400 . 1 . . . . 12 VAL CB . 16174 1 128 . 1 1 12 12 VAL CG1 C 13 21.127 0.400 . 1 . . . . 12 VAL CG1 . 16174 1 129 . 1 1 12 12 VAL N N 15 120.409 0.400 . 1 . . . . 12 VAL N . 16174 1 130 . 1 1 13 13 ALA H H 1 8.260 0.020 . 1 . . . . 13 ALA H . 16174 1 131 . 1 1 13 13 ALA HA H 1 4.346 0.020 . 1 . . . . 13 ALA HA . 16174 1 132 . 1 1 13 13 ALA HB1 H 1 1.431 0.020 . 1 . . . . 13 ALA HB . 16174 1 133 . 1 1 13 13 ALA HB2 H 1 1.431 0.020 . 1 . . . . 13 ALA HB . 16174 1 134 . 1 1 13 13 ALA HB3 H 1 1.431 0.020 . 1 . . . . 13 ALA HB . 16174 1 135 . 1 1 13 13 ALA CA C 13 53.283 0.400 . 1 . . . . 13 ALA CA . 16174 1 136 . 1 1 13 13 ALA CB C 13 19.249 0.400 . 1 . . . . 13 ALA CB . 16174 1 137 . 1 1 13 13 ALA N N 15 126.532 0.400 . 1 . . . . 13 ALA N . 16174 1 138 . 1 1 14 14 SER H H 1 8.293 0.020 . 1 . . . . 14 SER H . 16174 1 139 . 1 1 14 14 SER HA H 1 4.475 0.020 . 1 . . . . 14 SER HA . 16174 1 140 . 1 1 14 14 SER HB2 H 1 3.949 0.020 . 2 . . . . 14 SER HB2 . 16174 1 141 . 1 1 14 14 SER HB3 H 1 3.949 0.020 . 2 . . . . 14 SER HB3 . 16174 1 142 . 1 1 14 14 SER CA C 13 59.316 0.400 . 1 . . . . 14 SER CA . 16174 1 143 . 1 1 14 14 SER CB C 13 64.017 0.400 . 1 . . . . 14 SER CB . 16174 1 144 . 1 1 14 14 SER N N 15 114.812 0.400 . 1 . . . . 14 SER N . 16174 1 145 . 1 1 15 15 GLN H H 1 8.528 0.020 . 1 . . . . 15 GLN H . 16174 1 146 . 1 1 15 15 GLN HA H 1 4.267 0.020 . 1 . . . . 15 GLN HA . 16174 1 147 . 1 1 15 15 GLN HB2 H 1 2.098 0.020 . 2 . . . . 15 GLN HB2 . 16174 1 148 . 1 1 15 15 GLN HB3 H 1 1.959 0.020 . 2 . . . . 15 GLN HB3 . 16174 1 149 . 1 1 15 15 GLN HG2 H 1 2.307 0.020 . 2 . . . . 15 GLN HG2 . 16174 1 150 . 1 1 15 15 GLN HG3 H 1 2.307 0.020 . 2 . . . . 15 GLN HG3 . 16174 1 151 . 1 1 15 15 GLN CA C 13 57.262 0.400 . 1 . . . . 15 GLN CA . 16174 1 152 . 1 1 15 15 GLN CB C 13 29.271 0.400 . 1 . . . . 15 GLN CB . 16174 1 153 . 1 1 15 15 GLN N N 15 122.192 0.400 . 1 . . . . 15 GLN N . 16174 1 154 . 1 1 16 16 SER H H 1 8.254 0.020 . 1 . . . . 16 SER H . 16174 1 155 . 1 1 16 16 SER HA H 1 4.415 0.020 . 1 . . . . 16 SER HA . 16174 1 156 . 1 1 16 16 SER HB2 H 1 3.987 0.020 . 2 . . . . 16 SER HB2 . 16174 1 157 . 1 1 16 16 SER HB3 H 1 3.987 0.020 . 2 . . . . 16 SER HB3 . 16174 1 158 . 1 1 16 16 SER CA C 13 59.466 0.400 . 1 . . . . 16 SER CA . 16174 1 159 . 1 1 16 16 SER CB C 13 63.917 0.400 . 1 . . . . 16 SER CB . 16174 1 160 . 1 1 16 16 SER N N 15 116.000 0.400 . 1 . . . . 16 SER N . 16174 1 161 . 1 1 17 17 ALA H H 1 8.455 0.020 . 1 . . . . 17 ALA H . 16174 1 162 . 1 1 17 17 ALA HA H 1 4.418 0.020 . 1 . . . . 17 ALA HA . 16174 1 163 . 1 1 17 17 ALA HB1 H 1 1.508 0.020 . 1 . . . . 17 ALA HB . 16174 1 164 . 1 1 17 17 ALA HB2 H 1 1.508 0.020 . 1 . . . . 17 ALA HB . 16174 1 165 . 1 1 17 17 ALA HB3 H 1 1.508 0.020 . 1 . . . . 17 ALA HB . 16174 1 166 . 1 1 17 17 ALA CA C 13 53.922 0.400 . 1 . . . . 17 ALA CA . 16174 1 167 . 1 1 17 17 ALA CB C 13 18.631 0.400 . 1 . . . . 17 ALA CB . 16174 1 168 . 1 1 17 17 ALA N N 15 126.860 0.400 . 1 . . . . 17 ALA N . 16174 1 169 . 1 1 18 18 PHE H H 1 8.742 0.020 . 1 . . . . 18 PHE H . 16174 1 170 . 1 1 18 18 PHE HA H 1 3.717 0.020 . 1 . . . . 18 PHE HA . 16174 1 171 . 1 1 18 18 PHE HB2 H 1 3.065 0.020 . 2 . . . . 18 PHE HB2 . 16174 1 172 . 1 1 18 18 PHE HB3 H 1 3.065 0.020 . 2 . . . . 18 PHE HB3 . 16174 1 173 . 1 1 18 18 PHE HD1 H 1 6.945 0.020 . 1 . . . . 18 PHE HD1 . 16174 1 174 . 1 1 18 18 PHE HD2 H 1 6.945 0.020 . 1 . . . . 18 PHE HD2 . 16174 1 175 . 1 1 18 18 PHE CA C 13 63.219 0.400 . 1 . . . . 18 PHE CA . 16174 1 176 . 1 1 18 18 PHE CB C 13 39.182 0.400 . 1 . . . . 18 PHE CB . 16174 1 177 . 1 1 18 18 PHE N N 15 120.164 0.400 . 1 . . . . 18 PHE N . 16174 1 178 . 1 1 19 19 ALA H H 1 8.430 0.020 . 1 . . . . 19 ALA H . 16174 1 179 . 1 1 19 19 ALA HA H 1 3.916 0.020 . 1 . . . . 19 ALA HA . 16174 1 180 . 1 1 19 19 ALA HB1 H 1 1.470 0.020 . 1 . . . . 19 ALA HB . 16174 1 181 . 1 1 19 19 ALA HB2 H 1 1.470 0.020 . 1 . . . . 19 ALA HB . 16174 1 182 . 1 1 19 19 ALA HB3 H 1 1.470 0.020 . 1 . . . . 19 ALA HB . 16174 1 183 . 1 1 19 19 ALA CA C 13 55.231 0.400 . 1 . . . . 19 ALA CA . 16174 1 184 . 1 1 19 19 ALA CB C 13 18.174 0.400 . 1 . . . . 19 ALA CB . 16174 1 185 . 1 1 19 19 ALA N N 15 119.897 0.400 . 1 . . . . 19 ALA N . 16174 1 186 . 1 1 20 20 ALA H H 1 8.043 0.020 . 1 . . . . 20 ALA H . 16174 1 187 . 1 1 20 20 ALA HA H 1 4.108 0.020 . 1 . . . . 20 ALA HA . 16174 1 188 . 1 1 20 20 ALA CA C 13 55.103 0.400 . 1 . . . . 20 ALA CA . 16174 1 189 . 1 1 20 20 ALA CB C 13 18.130 0.400 . 1 . . . . 20 ALA CB . 16174 1 190 . 1 1 20 20 ALA N N 15 121.595 0.400 . 1 . . . . 20 ALA N . 16174 1 191 . 1 1 21 21 LYS H H 1 8.001 0.020 . 1 . . . . 21 LYS H . 16174 1 192 . 1 1 21 21 LYS HA H 1 3.965 0.020 . 1 . . . . 21 LYS HA . 16174 1 193 . 1 1 21 21 LYS HD2 H 1 1.606 0.020 . 2 . . . . 21 LYS HD2 . 16174 1 194 . 1 1 21 21 LYS HD3 H 1 1.413 0.020 . 2 . . . . 21 LYS HD3 . 16174 1 195 . 1 1 21 21 LYS HE2 H 1 2.970 0.020 . 2 . . . . 21 LYS HE2 . 16174 1 196 . 1 1 21 21 LYS HE3 H 1 2.922 0.020 . 2 . . . . 21 LYS HE3 . 16174 1 197 . 1 1 21 21 LYS HG2 H 1 1.633 0.020 . 2 . . . . 21 LYS HG2 . 16174 1 198 . 1 1 21 21 LYS HG3 H 1 1.409 0.020 . 2 . . . . 21 LYS HG3 . 16174 1 199 . 1 1 21 21 LYS CA C 13 59.608 0.400 . 1 . . . . 21 LYS CA . 16174 1 200 . 1 1 21 21 LYS CB C 13 32.623 0.400 . 1 . . . . 21 LYS CB . 16174 1 201 . 1 1 21 21 LYS CD C 13 29.265 0.400 . 1 . . . . 21 LYS CD . 16174 1 202 . 1 1 21 21 LYS CE C 13 42.065 0.400 . 1 . . . . 21 LYS CE . 16174 1 203 . 1 1 21 21 LYS CG C 13 26.426 0.400 . 1 . . . . 21 LYS CG . 16174 1 204 . 1 1 21 21 LYS N N 15 119.548 0.400 . 1 . . . . 21 LYS N . 16174 1 205 . 1 1 22 22 ALA H H 1 8.760 0.020 . 1 . . . . 22 ALA H . 16174 1 206 . 1 1 22 22 ALA HA H 1 3.834 0.020 . 1 . . . . 22 ALA HA . 16174 1 207 . 1 1 22 22 ALA HB1 H 1 1.218 0.020 . 1 . . . . 22 ALA HB . 16174 1 208 . 1 1 22 22 ALA HB2 H 1 1.218 0.020 . 1 . . . . 22 ALA HB . 16174 1 209 . 1 1 22 22 ALA HB3 H 1 1.218 0.020 . 1 . . . . 22 ALA HB . 16174 1 210 . 1 1 22 22 ALA CA C 13 55.196 0.400 . 1 . . . . 22 ALA CA . 16174 1 211 . 1 1 22 22 ALA CB C 13 18.749 0.400 . 1 . . . . 22 ALA CB . 16174 1 212 . 1 1 22 22 ALA N N 15 122.436 0.400 . 1 . . . . 22 ALA N . 16174 1 213 . 1 1 23 23 GLY H H 1 8.077 0.020 . 1 . . . . 23 GLY H . 16174 1 214 . 1 1 23 23 GLY HA2 H 1 3.835 0.020 . 2 . . . . 23 GLY HA2 . 16174 1 215 . 1 1 23 23 GLY HA3 H 1 3.835 0.020 . 2 . . . . 23 GLY HA3 . 16174 1 216 . 1 1 23 23 GLY CA C 13 47.301 0.400 . 1 . . . . 23 GLY CA . 16174 1 217 . 1 1 23 23 GLY N N 15 104.701 0.400 . 1 . . . . 23 GLY N . 16174 1 218 . 1 1 24 24 LEU H H 1 7.929 0.020 . 1 . . . . 24 LEU H . 16174 1 219 . 1 1 24 24 LEU HA H 1 4.298 0.020 . 1 . . . . 24 LEU HA . 16174 1 220 . 1 1 24 24 LEU HB2 H 1 1.875 0.020 . 2 . . . . 24 LEU HB2 . 16174 1 221 . 1 1 24 24 LEU HB3 H 1 1.756 0.020 . 2 . . . . 24 LEU HB3 . 16174 1 222 . 1 1 24 24 LEU HD11 H 1 0.943 0.020 . 2 . . . . 24 LEU HD1 . 16174 1 223 . 1 1 24 24 LEU HD12 H 1 0.943 0.020 . 2 . . . . 24 LEU HD1 . 16174 1 224 . 1 1 24 24 LEU HD13 H 1 0.943 0.020 . 2 . . . . 24 LEU HD1 . 16174 1 225 . 1 1 24 24 LEU HD21 H 1 0.904 0.020 . 2 . . . . 24 LEU HD2 . 16174 1 226 . 1 1 24 24 LEU HD22 H 1 0.904 0.020 . 2 . . . . 24 LEU HD2 . 16174 1 227 . 1 1 24 24 LEU HD23 H 1 0.904 0.020 . 2 . . . . 24 LEU HD2 . 16174 1 228 . 1 1 24 24 LEU HG H 1 1.613 0.020 . 1 . . . . 24 LEU HG . 16174 1 229 . 1 1 24 24 LEU CA C 13 57.552 0.400 . 1 . . . . 24 LEU CA . 16174 1 230 . 1 1 24 24 LEU CB C 13 41.666 0.400 . 1 . . . . 24 LEU CB . 16174 1 231 . 1 1 24 24 LEU CD1 C 13 23.515 0.400 . 1 . . . . 24 LEU CD1 . 16174 1 232 . 1 1 24 24 LEU CD2 C 13 25.026 0.400 . 1 . . . . 24 LEU CD2 . 16174 1 233 . 1 1 24 24 LEU N N 15 123.794 0.400 . 1 . . . . 24 LEU N . 16174 1 234 . 1 1 25 25 MET H H 1 8.894 0.020 . 1 . . . . 25 MET H . 16174 1 235 . 1 1 25 25 MET HA H 1 4.384 0.020 . 1 . . . . 25 MET HA . 16174 1 236 . 1 1 25 25 MET HB2 H 1 2.098 0.020 . 2 . . . . 25 MET HB2 . 16174 1 237 . 1 1 25 25 MET HB3 H 1 2.098 0.020 . 2 . . . . 25 MET HB3 . 16174 1 238 . 1 1 25 25 MET HE1 H 1 2.305 0.020 . 1 . . . . 25 MET HE . 16174 1 239 . 1 1 25 25 MET HE2 H 1 2.305 0.020 . 1 . . . . 25 MET HE . 16174 1 240 . 1 1 25 25 MET HE3 H 1 2.305 0.020 . 1 . . . . 25 MET HE . 16174 1 241 . 1 1 25 25 MET HG2 H 1 2.531 0.020 . 2 . . . . 25 MET HG2 . 16174 1 242 . 1 1 25 25 MET HG3 H 1 2.531 0.020 . 2 . . . . 25 MET HG3 . 16174 1 243 . 1 1 25 25 MET CA C 13 58.832 0.400 . 1 . . . . 25 MET CA . 16174 1 244 . 1 1 25 25 MET CB C 13 31.068 0.400 . 1 . . . . 25 MET CB . 16174 1 245 . 1 1 25 25 MET CE C 13 18.870 0.400 . 1 . . . . 25 MET CE . 16174 1 246 . 1 1 25 25 MET CG C 13 32.516 0.400 . 1 . . . . 25 MET CG . 16174 1 247 . 1 1 25 25 MET N N 15 124.684 0.400 . 1 . . . . 25 MET N . 16174 1 248 . 1 1 26 26 ARG H H 1 8.236 0.020 . 1 . . . . 26 ARG H . 16174 1 249 . 1 1 26 26 ARG HA H 1 3.918 0.020 . 1 . . . . 26 ARG HA . 16174 1 250 . 1 1 26 26 ARG HB2 H 1 1.930 0.020 . 2 . . . . 26 ARG HB2 . 16174 1 251 . 1 1 26 26 ARG HB3 H 1 1.930 0.020 . 2 . . . . 26 ARG HB3 . 16174 1 252 . 1 1 26 26 ARG HD2 H 1 3.327 0.020 . 2 . . . . 26 ARG HD2 . 16174 1 253 . 1 1 26 26 ARG HD3 H 1 3.114 0.020 . 2 . . . . 26 ARG HD3 . 16174 1 254 . 1 1 26 26 ARG HG2 H 1 1.929 0.020 . 2 . . . . 26 ARG HG2 . 16174 1 255 . 1 1 26 26 ARG HG3 H 1 1.821 0.020 . 2 . . . . 26 ARG HG3 . 16174 1 256 . 1 1 26 26 ARG CA C 13 60.727 0.400 . 1 . . . . 26 ARG CA . 16174 1 257 . 1 1 26 26 ARG CB C 13 30.219 0.400 . 1 . . . . 26 ARG CB . 16174 1 258 . 1 1 26 26 ARG CD C 13 43.917 0.400 . 1 . . . . 26 ARG CD . 16174 1 259 . 1 1 26 26 ARG CG C 13 24.720 0.400 . 1 . . . . 26 ARG CG . 16174 1 260 . 1 1 26 26 ARG N N 15 118.496 0.400 . 1 . . . . 26 ARG N . 16174 1 261 . 1 1 27 27 HIS H H 1 8.116 0.020 . 1 . . . . 27 HIS H . 16174 1 262 . 1 1 27 27 HIS HA H 1 4.405 0.020 . 1 . . . . 27 HIS HA . 16174 1 263 . 1 1 27 27 HIS HB2 H 1 3.277 0.020 . 2 . . . . 27 HIS HB2 . 16174 1 264 . 1 1 27 27 HIS HB3 H 1 3.277 0.020 . 2 . . . . 27 HIS HB3 . 16174 1 265 . 1 1 27 27 HIS HD2 H 1 6.950 0.020 . 1 . . . . 27 HIS HD2 . 16174 1 266 . 1 1 27 27 HIS HE1 H 1 6.762 0.020 . 1 . . . . 27 HIS HE1 . 16174 1 267 . 1 1 27 27 HIS CA C 13 59.772 0.400 . 1 . . . . 27 HIS CA . 16174 1 268 . 1 1 27 27 HIS CB C 13 31.248 0.400 . 1 . . . . 27 HIS CB . 16174 1 269 . 1 1 27 27 HIS N N 15 118.166 0.400 . 1 . . . . 27 HIS N . 16174 1 270 . 1 1 28 28 THR H H 1 8.781 0.020 . 1 . . . . 28 THR H . 16174 1 271 . 1 1 28 28 THR HA H 1 3.833 0.020 . 1 . . . . 28 THR HA . 16174 1 272 . 1 1 28 28 THR HB H 1 4.296 0.020 . 1 . . . . 28 THR HB . 16174 1 273 . 1 1 28 28 THR HG21 H 1 1.292 0.020 . 1 . . . . 28 THR HG2 . 16174 1 274 . 1 1 28 28 THR HG22 H 1 1.292 0.020 . 1 . . . . 28 THR HG2 . 16174 1 275 . 1 1 28 28 THR HG23 H 1 1.292 0.020 . 1 . . . . 28 THR HG2 . 16174 1 276 . 1 1 28 28 THR CA C 13 67.745 0.400 . 1 . . . . 28 THR CA . 16174 1 277 . 1 1 28 28 THR CB C 13 68.169 0.400 . 1 . . . . 28 THR CB . 16174 1 278 . 1 1 28 28 THR CG2 C 13 21.270 0.400 . 1 . . . . 28 THR CG2 . 16174 1 279 . 1 1 28 28 THR N N 15 117.890 0.400 . 1 . . . . 28 THR N . 16174 1 280 . 1 1 29 29 ILE H H 1 8.534 0.020 . 1 . . . . 29 ILE H . 16174 1 281 . 1 1 29 29 ILE HA H 1 3.497 0.020 . 1 . . . . 29 ILE HA . 16174 1 282 . 1 1 29 29 ILE HB H 1 1.906 0.020 . 1 . . . . 29 ILE HB . 16174 1 283 . 1 1 29 29 ILE HD11 H 1 0.812 0.020 . 1 . . . . 29 ILE HD1 . 16174 1 284 . 1 1 29 29 ILE HD12 H 1 0.812 0.020 . 1 . . . . 29 ILE HD1 . 16174 1 285 . 1 1 29 29 ILE HD13 H 1 0.812 0.020 . 1 . . . . 29 ILE HD1 . 16174 1 286 . 1 1 29 29 ILE HG12 H 1 0.703 0.020 . 2 . . . . 29 ILE HG12 . 16174 1 287 . 1 1 29 29 ILE HG21 H 1 0.904 0.020 . 1 . . . . 29 ILE HG2 . 16174 1 288 . 1 1 29 29 ILE HG22 H 1 0.904 0.020 . 1 . . . . 29 ILE HG2 . 16174 1 289 . 1 1 29 29 ILE HG23 H 1 0.904 0.020 . 1 . . . . 29 ILE HG2 . 16174 1 290 . 1 1 29 29 ILE CA C 13 67.398 0.400 . 1 . . . . 29 ILE CA . 16174 1 291 . 1 1 29 29 ILE CB C 13 38.411 0.400 . 1 . . . . 29 ILE CB . 16174 1 292 . 1 1 29 29 ILE CD1 C 13 14.057 0.400 . 1 . . . . 29 ILE CD1 . 16174 1 293 . 1 1 29 29 ILE CG1 C 13 31.638 0.400 . 1 . . . . 29 ILE CG1 . 16174 1 294 . 1 1 29 29 ILE CG2 C 13 17.968 0.400 . 1 . . . . 29 ILE CG2 . 16174 1 295 . 1 1 29 29 ILE N N 15 122.538 0.400 . 1 . . . . 29 ILE N . 16174 1 296 . 1 1 30 30 GLY H H 1 7.337 0.020 . 1 . . . . 30 GLY H . 16174 1 297 . 1 1 30 30 GLY HA2 H 1 4.040 0.020 . 2 . . . . 30 GLY HA2 . 16174 1 298 . 1 1 30 30 GLY HA3 H 1 4.040 0.020 . 2 . . . . 30 GLY HA3 . 16174 1 299 . 1 1 30 30 GLY CA C 13 47.379 0.400 . 1 . . . . 30 GLY CA . 16174 1 300 . 1 1 30 30 GLY N N 15 104.829 0.400 . 1 . . . . 30 GLY N . 16174 1 301 . 1 1 31 31 GLN H H 1 8.008 0.020 . 1 . . . . 31 GLN H . 16174 1 302 . 1 1 31 31 GLN HA H 1 3.901 0.020 . 1 . . . . 31 GLN HA . 16174 1 303 . 1 1 31 31 GLN HB2 H 1 2.161 0.020 . 2 . . . . 31 GLN HB2 . 16174 1 304 . 1 1 31 31 GLN HB3 H 1 2.048 0.020 . 2 . . . . 31 GLN HB3 . 16174 1 305 . 1 1 31 31 GLN HE21 H 1 7.397 0.020 . 2 . . . . 31 GLN HE21 . 16174 1 306 . 1 1 31 31 GLN HE22 H 1 6.860 0.020 . 2 . . . . 31 GLN HE22 . 16174 1 307 . 1 1 31 31 GLN HG2 H 1 2.187 0.020 . 2 . . . . 31 GLN HG2 . 16174 1 308 . 1 1 31 31 GLN HG3 H 1 2.037 0.020 . 2 . . . . 31 GLN HG3 . 16174 1 309 . 1 1 31 31 GLN CA C 13 58.513 0.400 . 1 . . . . 31 GLN CA . 16174 1 310 . 1 1 31 31 GLN CB C 13 28.755 0.400 . 1 . . . . 31 GLN CB . 16174 1 311 . 1 1 31 31 GLN CG C 13 34.033 0.400 . 1 . . . . 31 GLN CG . 16174 1 312 . 1 1 31 31 GLN N N 15 120.301 0.400 . 1 . . . . 31 GLN N . 16174 1 313 . 1 1 31 31 GLN NE2 N 15 112.719 0.400 . 1 . . . . 31 GLN NE2 . 16174 1 314 . 1 1 32 32 ALA H H 1 8.631 0.020 . 1 . . . . 32 ALA H . 16174 1 315 . 1 1 32 32 ALA HA H 1 3.082 0.020 . 1 . . . . 32 ALA HA . 16174 1 316 . 1 1 32 32 ALA HB1 H 1 0.998 0.020 . 1 . . . . 32 ALA HB . 16174 1 317 . 1 1 32 32 ALA HB2 H 1 0.998 0.020 . 1 . . . . 32 ALA HB . 16174 1 318 . 1 1 32 32 ALA HB3 H 1 0.998 0.020 . 1 . . . . 32 ALA HB . 16174 1 319 . 1 1 32 32 ALA CA C 13 54.424 0.400 . 1 . . . . 32 ALA CA . 16174 1 320 . 1 1 32 32 ALA CB C 13 17.710 0.400 . 1 . . . . 32 ALA CB . 16174 1 321 . 1 1 32 32 ALA N N 15 123.634 0.400 . 1 . . . . 32 ALA N . 16174 1 322 . 1 1 33 33 GLU H H 1 8.542 0.020 . 1 . . . . 33 GLU H . 16174 1 323 . 1 1 33 33 GLU CA C 13 60.294 0.400 . 1 . . . . 33 GLU CA . 16174 1 324 . 1 1 33 33 GLU CB C 13 29.534 0.400 . 1 . . . . 33 GLU CB . 16174 1 325 . 1 1 33 33 GLU N N 15 121.768 0.400 . 1 . . . . 33 GLU N . 16174 1 326 . 1 1 34 34 GLN H H 1 7.926 0.020 . 1 . . . . 34 GLN H . 16174 1 327 . 1 1 34 34 GLN HA H 1 4.010 0.020 . 1 . . . . 34 GLN HA . 16174 1 328 . 1 1 34 34 GLN HB2 H 1 2.153 0.020 . 2 . . . . 34 GLN HB2 . 16174 1 329 . 1 1 34 34 GLN HB3 H 1 2.153 0.020 . 2 . . . . 34 GLN HB3 . 16174 1 330 . 1 1 34 34 GLN HG2 H 1 2.467 0.020 . 2 . . . . 34 GLN HG2 . 16174 1 331 . 1 1 34 34 GLN HG3 H 1 2.467 0.020 . 2 . . . . 34 GLN HG3 . 16174 1 332 . 1 1 34 34 GLN CA C 13 58.965 0.400 . 1 . . . . 34 GLN CA . 16174 1 333 . 1 1 34 34 GLN CB C 13 28.252 0.400 . 1 . . . . 34 GLN CB . 16174 1 334 . 1 1 34 34 GLN CG C 13 33.961 0.400 . 1 . . . . 34 GLN CG . 16174 1 335 . 1 1 34 34 GLN N N 15 118.130 0.400 . 1 . . . . 34 GLN N . 16174 1 336 . 1 1 35 35 ALA H H 1 8.157 0.020 . 1 . . . . 35 ALA H . 16174 1 337 . 1 1 35 35 ALA HA H 1 4.210 0.020 . 1 . . . . 35 ALA HA . 16174 1 338 . 1 1 35 35 ALA HB1 H 1 1.512 0.020 . 1 . . . . 35 ALA HB . 16174 1 339 . 1 1 35 35 ALA HB2 H 1 1.512 0.020 . 1 . . . . 35 ALA HB . 16174 1 340 . 1 1 35 35 ALA HB3 H 1 1.512 0.020 . 1 . . . . 35 ALA HB . 16174 1 341 . 1 1 35 35 ALA CA C 13 55.148 0.400 . 1 . . . . 35 ALA CA . 16174 1 342 . 1 1 35 35 ALA CB C 13 18.389 0.400 . 1 . . . . 35 ALA CB . 16174 1 343 . 1 1 35 35 ALA N N 15 122.485 0.400 . 1 . . . . 35 ALA N . 16174 1 344 . 1 1 36 36 ALA H H 1 7.809 0.020 . 1 . . . . 36 ALA H . 16174 1 345 . 1 1 36 36 ALA HA H 1 4.355 0.020 . 1 . . . . 36 ALA HA . 16174 1 346 . 1 1 36 36 ALA HB1 H 1 1.436 0.020 . 1 . . . . 36 ALA HB . 16174 1 347 . 1 1 36 36 ALA HB2 H 1 1.436 0.020 . 1 . . . . 36 ALA HB . 16174 1 348 . 1 1 36 36 ALA HB3 H 1 1.436 0.020 . 1 . . . . 36 ALA HB . 16174 1 349 . 1 1 36 36 ALA CA C 13 54.945 0.400 . 1 . . . . 36 ALA CA . 16174 1 350 . 1 1 36 36 ALA CB C 13 18.541 0.400 . 1 . . . . 36 ALA CB . 16174 1 351 . 1 1 36 36 ALA N N 15 120.609 0.400 . 1 . . . . 36 ALA N . 16174 1 352 . 1 1 37 37 MET H H 1 8.250 0.020 . 1 . . . . 37 MET H . 16174 1 353 . 1 1 37 37 MET HA H 1 4.182 0.020 . 1 . . . . 37 MET HA . 16174 1 354 . 1 1 37 37 MET HB2 H 1 2.185 0.020 . 2 . . . . 37 MET HB2 . 16174 1 355 . 1 1 37 37 MET HB3 H 1 2.092 0.020 . 2 . . . . 37 MET HB3 . 16174 1 356 . 1 1 37 37 MET HE1 H 1 1.902 0.020 . 1 . . . . 37 MET HE . 16174 1 357 . 1 1 37 37 MET HE2 H 1 1.902 0.020 . 1 . . . . 37 MET HE . 16174 1 358 . 1 1 37 37 MET HE3 H 1 1.902 0.020 . 1 . . . . 37 MET HE . 16174 1 359 . 1 1 37 37 MET HG2 H 1 2.714 0.020 . 2 . . . . 37 MET HG2 . 16174 1 360 . 1 1 37 37 MET HG3 H 1 2.553 0.020 . 2 . . . . 37 MET HG3 . 16174 1 361 . 1 1 37 37 MET CA C 13 57.595 0.400 . 1 . . . . 37 MET CA . 16174 1 362 . 1 1 37 37 MET CB C 13 31.772 0.400 . 1 . . . . 37 MET CB . 16174 1 363 . 1 1 37 37 MET CE C 13 16.672 0.400 . 1 . . . . 37 MET CE . 16174 1 364 . 1 1 37 37 MET CG C 13 32.195 0.400 . 1 . . . . 37 MET CG . 16174 1 365 . 1 1 37 37 MET N N 15 116.260 0.400 . 1 . . . . 37 MET N . 16174 1 366 . 1 1 38 38 SER H H 1 8.255 0.020 . 1 . . . . 38 SER H . 16174 1 367 . 1 1 38 38 SER HA H 1 4.232 0.020 . 1 . . . . 38 SER HA . 16174 1 368 . 1 1 38 38 SER HB2 H 1 4.005 0.020 . 2 . . . . 38 SER HB2 . 16174 1 369 . 1 1 38 38 SER HB3 H 1 3.962 0.020 . 2 . . . . 38 SER HB3 . 16174 1 370 . 1 1 38 38 SER CA C 13 61.275 0.400 . 1 . . . . 38 SER CA . 16174 1 371 . 1 1 38 38 SER CB C 13 63.131 0.400 . 1 . . . . 38 SER CB . 16174 1 372 . 1 1 38 38 SER N N 15 115.923 0.400 . 1 . . . . 38 SER N . 16174 1 373 . 1 1 39 39 ALA H H 1 7.678 0.020 . 1 . . . . 39 ALA H . 16174 1 374 . 1 1 39 39 ALA HA H 1 4.198 0.020 . 1 . . . . 39 ALA HA . 16174 1 375 . 1 1 39 39 ALA HB1 H 1 1.394 0.020 . 1 . . . . 39 ALA HB . 16174 1 376 . 1 1 39 39 ALA HB2 H 1 1.394 0.020 . 1 . . . . 39 ALA HB . 16174 1 377 . 1 1 39 39 ALA HB3 H 1 1.394 0.020 . 1 . . . . 39 ALA HB . 16174 1 378 . 1 1 39 39 ALA CA C 13 54.069 0.400 . 1 . . . . 39 ALA CA . 16174 1 379 . 1 1 39 39 ALA CB C 13 18.484 0.400 . 1 . . . . 39 ALA CB . 16174 1 380 . 1 1 39 39 ALA N N 15 123.034 0.400 . 1 . . . . 39 ALA N . 16174 1 381 . 1 1 40 40 GLN H H 1 7.561 0.020 . 1 . . . . 40 GLN H . 16174 1 382 . 1 1 40 40 GLN HA H 1 3.616 0.020 . 1 . . . . 40 GLN HA . 16174 1 383 . 1 1 40 40 GLN HB2 H 1 1.763 0.020 . 2 . . . . 40 GLN HB2 . 16174 1 384 . 1 1 40 40 GLN HB3 H 1 1.763 0.020 . 2 . . . . 40 GLN HB3 . 16174 1 385 . 1 1 40 40 GLN HG2 H 1 1.951 0.020 . 2 . . . . 40 GLN HG2 . 16174 1 386 . 1 1 40 40 GLN HG3 H 1 1.768 0.020 . 2 . . . . 40 GLN HG3 . 16174 1 387 . 1 1 40 40 GLN CA C 13 57.250 0.400 . 1 . . . . 40 GLN CA . 16174 1 388 . 1 1 40 40 GLN CB C 13 28.133 0.400 . 1 . . . . 40 GLN CB . 16174 1 389 . 1 1 40 40 GLN CG C 13 33.022 0.400 . 1 . . . . 40 GLN CG . 16174 1 390 . 1 1 40 40 GLN N N 15 116.559 0.400 . 1 . . . . 40 GLN N . 16174 1 391 . 1 1 41 41 ALA H H 1 7.594 0.020 . 1 . . . . 41 ALA H . 16174 1 392 . 1 1 41 41 ALA HA H 1 4.055 0.020 . 1 . . . . 41 ALA HA . 16174 1 393 . 1 1 41 41 ALA HB1 H 1 1.223 0.020 . 1 . . . . 41 ALA HB . 16174 1 394 . 1 1 41 41 ALA HB2 H 1 1.223 0.020 . 1 . . . . 41 ALA HB . 16174 1 395 . 1 1 41 41 ALA HB3 H 1 1.223 0.020 . 1 . . . . 41 ALA HB . 16174 1 396 . 1 1 41 41 ALA CA C 13 53.699 0.400 . 1 . . . . 41 ALA CA . 16174 1 397 . 1 1 41 41 ALA CB C 13 18.355 0.400 . 1 . . . . 41 ALA CB . 16174 1 398 . 1 1 41 41 ALA N N 15 121.312 0.400 . 1 . . . . 41 ALA N . 16174 1 399 . 1 1 42 42 PHE H H 1 7.650 0.020 . 1 . . . . 42 PHE H . 16174 1 400 . 1 1 42 42 PHE HA H 1 4.414 0.020 . 1 . . . . 42 PHE HA . 16174 1 401 . 1 1 42 42 PHE HB2 H 1 3.081 0.020 . 2 . . . . 42 PHE HB2 . 16174 1 402 . 1 1 42 42 PHE HB3 H 1 2.904 0.020 . 2 . . . . 42 PHE HB3 . 16174 1 403 . 1 1 42 42 PHE HD1 H 1 6.953 0.020 . 1 . . . . 42 PHE HD1 . 16174 1 404 . 1 1 42 42 PHE HD2 H 1 6.953 0.020 . 1 . . . . 42 PHE HD2 . 16174 1 405 . 1 1 42 42 PHE HE1 H 1 7.093 0.020 . 1 . . . . 42 PHE HE1 . 16174 1 406 . 1 1 42 42 PHE HE2 H 1 7.093 0.020 . 1 . . . . 42 PHE HE2 . 16174 1 407 . 1 1 42 42 PHE CA C 13 58.537 0.400 . 1 . . . . 42 PHE CA . 16174 1 408 . 1 1 42 42 PHE CB C 13 39.132 0.400 . 1 . . . . 42 PHE CB . 16174 1 409 . 1 1 42 42 PHE N N 15 116.172 0.400 . 1 . . . . 42 PHE N . 16174 1 410 . 1 1 43 43 HIS HA H 1 4.585 0.020 . 1 . . . . 43 HIS HA . 16174 1 411 . 1 1 43 43 HIS HB2 H 1 2.946 0.020 . 2 . . . . 43 HIS HB2 . 16174 1 412 . 1 1 43 43 HIS HB3 H 1 2.946 0.020 . 2 . . . . 43 HIS HB3 . 16174 1 413 . 1 1 43 43 HIS CA C 13 55.962 0.400 . 1 . . . . 43 HIS CA . 16174 1 414 . 1 1 43 43 HIS CB C 13 30.104 0.400 . 1 . . . . 43 HIS CB . 16174 1 415 . 1 1 44 44 GLN H H 1 8.233 0.020 . 1 . . . . 44 GLN H . 16174 1 416 . 1 1 44 44 GLN HA H 1 4.357 0.020 . 1 . . . . 44 GLN HA . 16174 1 417 . 1 1 44 44 GLN HB2 H 1 2.174 0.020 . 2 . . . . 44 GLN HB2 . 16174 1 418 . 1 1 44 44 GLN HB3 H 1 1.998 0.020 . 2 . . . . 44 GLN HB3 . 16174 1 419 . 1 1 44 44 GLN HG2 H 1 2.310 0.020 . 2 . . . . 44 GLN HG2 . 16174 1 420 . 1 1 44 44 GLN HG3 H 1 2.310 0.020 . 2 . . . . 44 GLN HG3 . 16174 1 421 . 1 1 44 44 GLN CA C 13 56.028 0.400 . 1 . . . . 44 GLN CA . 16174 1 422 . 1 1 44 44 GLN CB C 13 28.996 0.400 . 1 . . . . 44 GLN CB . 16174 1 423 . 1 1 44 44 GLN CG C 13 33.902 0.400 . 1 . . . . 44 GLN CG . 16174 1 424 . 1 1 44 44 GLN N N 15 119.743 0.400 . 1 . . . . 44 GLN N . 16174 1 425 . 1 1 45 45 GLY H H 1 8.462 0.020 . 1 . . . . 45 GLY H . 16174 1 426 . 1 1 45 45 GLY HA2 H 1 4.014 0.020 . 2 . . . . 45 GLY HA2 . 16174 1 427 . 1 1 45 45 GLY HA3 H 1 4.014 0.020 . 2 . . . . 45 GLY HA3 . 16174 1 428 . 1 1 45 45 GLY CA C 13 45.606 0.400 . 1 . . . . 45 GLY CA . 16174 1 429 . 1 1 45 45 GLY N N 15 109.305 0.400 . 1 . . . . 45 GLY N . 16174 1 430 . 1 1 46 46 GLU HA H 1 4.230 0.020 . 1 . . . . 46 GLU HA . 16174 1 431 . 1 1 46 46 GLU HB2 H 1 2.079 0.020 . 2 . . . . 46 GLU HB2 . 16174 1 432 . 1 1 46 46 GLU HB3 H 1 1.938 0.020 . 2 . . . . 46 GLU HB3 . 16174 1 433 . 1 1 46 46 GLU HG2 H 1 2.268 0.020 . 2 . . . . 46 GLU HG2 . 16174 1 434 . 1 1 46 46 GLU HG3 H 1 2.268 0.020 . 2 . . . . 46 GLU HG3 . 16174 1 435 . 1 1 46 46 GLU CA C 13 57.251 0.400 . 1 . . . . 46 GLU CA . 16174 1 436 . 1 1 46 46 GLU CB C 13 30.132 0.400 . 1 . . . . 46 GLU CB . 16174 1 437 . 1 1 46 46 GLU CG C 13 36.331 0.400 . 1 . . . . 46 GLU CG . 16174 1 438 . 1 1 47 47 SER H H 1 8.415 0.020 . 1 . . . . 47 SER H . 16174 1 439 . 1 1 47 47 SER HA H 1 4.465 0.020 . 1 . . . . 47 SER HA . 16174 1 440 . 1 1 47 47 SER HB2 H 1 4.004 0.020 . 2 . . . . 47 SER HB2 . 16174 1 441 . 1 1 47 47 SER HB3 H 1 4.004 0.020 . 2 . . . . 47 SER HB3 . 16174 1 442 . 1 1 47 47 SER CA C 13 58.905 0.400 . 1 . . . . 47 SER CA . 16174 1 443 . 1 1 47 47 SER N N 15 115.784 0.400 . 1 . . . . 47 SER N . 16174 1 444 . 1 1 49 49 ALA CA C 13 55.444 0.400 . 1 . . . . 49 ALA CA . 16174 1 445 . 1 1 49 49 ALA CB C 13 17.866 0.400 . 1 . . . . 49 ALA CB . 16174 1 446 . 1 1 50 50 ALA H H 1 8.406 0.020 . 1 . . . . 50 ALA H . 16174 1 447 . 1 1 50 50 ALA HA H 1 4.222 0.020 . 1 . . . . 50 ALA HA . 16174 1 448 . 1 1 50 50 ALA HB1 H 1 1.510 0.020 . 1 . . . . 50 ALA HB . 16174 1 449 . 1 1 50 50 ALA HB2 H 1 1.510 0.020 . 1 . . . . 50 ALA HB . 16174 1 450 . 1 1 50 50 ALA HB3 H 1 1.510 0.020 . 1 . . . . 50 ALA HB . 16174 1 451 . 1 1 50 50 ALA CA C 13 55.205 0.400 . 1 . . . . 50 ALA CA . 16174 1 452 . 1 1 50 50 ALA CB C 13 18.024 0.400 . 1 . . . . 50 ALA CB . 16174 1 453 . 1 1 50 50 ALA N N 15 121.247 0.400 . 1 . . . . 50 ALA N . 16174 1 454 . 1 1 51 51 PHE H H 1 8.353 0.020 . 1 . . . . 51 PHE H . 16174 1 455 . 1 1 51 51 PHE HA H 1 4.042 0.020 . 1 . . . . 51 PHE HA . 16174 1 456 . 1 1 51 51 PHE HB2 H 1 3.150 0.020 . 2 . . . . 51 PHE HB2 . 16174 1 457 . 1 1 51 51 PHE HB3 H 1 3.150 0.020 . 2 . . . . 51 PHE HB3 . 16174 1 458 . 1 1 51 51 PHE HD1 H 1 7.130 0.020 . 1 . . . . 51 PHE HD1 . 16174 1 459 . 1 1 51 51 PHE HD2 H 1 7.130 0.020 . 1 . . . . 51 PHE HD2 . 16174 1 460 . 1 1 51 51 PHE CA C 13 62.417 0.400 . 1 . . . . 51 PHE CA . 16174 1 461 . 1 1 51 51 PHE CB C 13 38.958 0.400 . 1 . . . . 51 PHE CB . 16174 1 462 . 1 1 51 51 PHE N N 15 121.156 0.400 . 1 . . . . 51 PHE N . 16174 1 463 . 1 1 52 52 GLN H H 1 8.635 0.020 . 1 . . . . 52 GLN H . 16174 1 464 . 1 1 52 52 GLN HA H 1 4.024 0.020 . 1 . . . . 52 GLN HA . 16174 1 465 . 1 1 52 52 GLN HB2 H 1 2.226 0.020 . 2 . . . . 52 GLN HB2 . 16174 1 466 . 1 1 52 52 GLN HB3 H 1 2.226 0.020 . 2 . . . . 52 GLN HB3 . 16174 1 467 . 1 1 52 52 GLN HE21 H 1 7.409 0.020 . 2 . . . . 52 GLN HE21 . 16174 1 468 . 1 1 52 52 GLN HE22 H 1 6.903 0.020 . 2 . . . . 52 GLN HE22 . 16174 1 469 . 1 1 52 52 GLN HG2 H 1 2.729 0.020 . 2 . . . . 52 GLN HG2 . 16174 1 470 . 1 1 52 52 GLN HG3 H 1 2.554 0.020 . 2 . . . . 52 GLN HG3 . 16174 1 471 . 1 1 52 52 GLN CA C 13 59.433 0.400 . 1 . . . . 52 GLN CA . 16174 1 472 . 1 1 52 52 GLN CB C 13 28.239 0.400 . 1 . . . . 52 GLN CB . 16174 1 473 . 1 1 52 52 GLN CG C 13 34.298 0.400 . 1 . . . . 52 GLN CG . 16174 1 474 . 1 1 52 52 GLN N N 15 118.217 0.400 . 1 . . . . 52 GLN N . 16174 1 475 . 1 1 52 52 GLN NE2 N 15 111.712 0.400 . 1 . . . . 52 GLN NE2 . 16174 1 476 . 1 1 53 53 ALA H H 1 8.079 0.020 . 1 . . . . 53 ALA H . 16174 1 477 . 1 1 53 53 ALA HA H 1 4.181 0.020 . 1 . . . . 53 ALA HA . 16174 1 478 . 1 1 53 53 ALA HB1 H 1 1.506 0.020 . 1 . . . . 53 ALA HB . 16174 1 479 . 1 1 53 53 ALA HB2 H 1 1.506 0.020 . 1 . . . . 53 ALA HB . 16174 1 480 . 1 1 53 53 ALA HB3 H 1 1.506 0.020 . 1 . . . . 53 ALA HB . 16174 1 481 . 1 1 53 53 ALA CA C 13 55.166 0.400 . 1 . . . . 53 ALA CA . 16174 1 482 . 1 1 53 53 ALA CB C 13 17.992 0.400 . 1 . . . . 53 ALA CB . 16174 1 483 . 1 1 53 53 ALA N N 15 122.082 0.400 . 1 . . . . 53 ALA N . 16174 1 484 . 1 1 54 54 ALA H H 1 7.751 0.020 . 1 . . . . 54 ALA H . 16174 1 485 . 1 1 54 54 ALA HA H 1 4.074 0.020 . 1 . . . . 54 ALA HA . 16174 1 486 . 1 1 54 54 ALA HB1 H 1 1.381 0.020 . 1 . . . . 54 ALA HB . 16174 1 487 . 1 1 54 54 ALA HB2 H 1 1.381 0.020 . 1 . . . . 54 ALA HB . 16174 1 488 . 1 1 54 54 ALA HB3 H 1 1.381 0.020 . 1 . . . . 54 ALA HB . 16174 1 489 . 1 1 54 54 ALA CA C 13 55.038 0.400 . 1 . . . . 54 ALA CA . 16174 1 490 . 1 1 54 54 ALA CB C 13 18.312 0.400 . 1 . . . . 54 ALA CB . 16174 1 491 . 1 1 54 54 ALA N N 15 122.070 0.400 . 1 . . . . 54 ALA N . 16174 1 492 . 1 1 55 55 HIS H H 1 9.056 0.020 . 1 . . . . 55 HIS H . 16174 1 493 . 1 1 55 55 HIS HA H 1 4.540 0.020 . 1 . . . . 55 HIS HA . 16174 1 494 . 1 1 55 55 HIS HB2 H 1 2.552 0.020 . 2 . . . . 55 HIS HB2 . 16174 1 495 . 1 1 55 55 HIS HB3 H 1 3.075 0.020 . 2 . . . . 55 HIS HB3 . 16174 1 496 . 1 1 55 55 HIS HD2 H 1 6.936 0.020 . 1 . . . . 55 HIS HD2 . 16174 1 497 . 1 1 55 55 HIS CA C 13 59.024 0.400 . 1 . . . . 55 HIS CA . 16174 1 498 . 1 1 55 55 HIS CB C 13 29.516 0.400 . 1 . . . . 55 HIS CB . 16174 1 499 . 1 1 55 55 HIS N N 15 119.909 0.400 . 1 . . . . 55 HIS N . 16174 1 500 . 1 1 56 56 ALA H H 1 8.139 0.020 . 1 . . . . 56 ALA H . 16174 1 501 . 1 1 56 56 ALA HA H 1 3.992 0.020 . 1 . . . . 56 ALA HA . 16174 1 502 . 1 1 56 56 ALA HB1 H 1 1.519 0.020 . 1 . . . . 56 ALA HB . 16174 1 503 . 1 1 56 56 ALA HB2 H 1 1.519 0.020 . 1 . . . . 56 ALA HB . 16174 1 504 . 1 1 56 56 ALA HB3 H 1 1.519 0.020 . 1 . . . . 56 ALA HB . 16174 1 505 . 1 1 56 56 ALA CA C 13 55.438 0.400 . 1 . . . . 56 ALA CA . 16174 1 506 . 1 1 56 56 ALA CB C 13 17.529 0.400 . 1 . . . . 56 ALA CB . 16174 1 507 . 1 1 56 56 ALA N N 15 121.390 0.400 . 1 . . . . 56 ALA N . 16174 1 508 . 1 1 57 57 ARG H H 1 7.622 0.020 . 1 . . . . 57 ARG H . 16174 1 509 . 1 1 57 57 ARG HA H 1 4.089 0.020 . 1 . . . . 57 ARG HA . 16174 1 510 . 1 1 57 57 ARG HB2 H 1 2.089 0.020 . 2 . . . . 57 ARG HB2 . 16174 1 511 . 1 1 57 57 ARG HB3 H 1 1.939 0.020 . 2 . . . . 57 ARG HB3 . 16174 1 512 . 1 1 57 57 ARG HD2 H 1 3.230 0.020 . 2 . . . . 57 ARG HD2 . 16174 1 513 . 1 1 57 57 ARG HD3 H 1 3.230 0.020 . 2 . . . . 57 ARG HD3 . 16174 1 514 . 1 1 57 57 ARG HG2 H 1 1.626 0.020 . 2 . . . . 57 ARG HG2 . 16174 1 515 . 1 1 57 57 ARG HG3 H 1 1.936 0.020 . 2 . . . . 57 ARG HG3 . 16174 1 516 . 1 1 57 57 ARG CA C 13 59.345 0.400 . 1 . . . . 57 ARG CA . 16174 1 517 . 1 1 57 57 ARG CB C 13 30.118 0.400 . 1 . . . . 57 ARG CB . 16174 1 518 . 1 1 57 57 ARG CD C 13 43.695 0.400 . 1 . . . . 57 ARG CD . 16174 1 519 . 1 1 57 57 ARG CG C 13 27.577 0.400 . 1 . . . . 57 ARG CG . 16174 1 520 . 1 1 57 57 ARG N N 15 118.463 0.400 . 1 . . . . 57 ARG N . 16174 1 521 . 1 1 58 58 PHE H H 1 8.495 0.020 . 1 . . . . 58 PHE H . 16174 1 522 . 1 1 58 58 PHE HA H 1 4.017 0.020 . 1 . . . . 58 PHE HA . 16174 1 523 . 1 1 58 58 PHE HB2 H 1 3.071 0.020 . 2 . . . . 58 PHE HB2 . 16174 1 524 . 1 1 58 58 PHE HB3 H 1 3.071 0.020 . 2 . . . . 58 PHE HB3 . 16174 1 525 . 1 1 58 58 PHE HD1 H 1 7.240 0.020 . 1 . . . . 58 PHE HD1 . 16174 1 526 . 1 1 58 58 PHE HD2 H 1 7.240 0.020 . 1 . . . . 58 PHE HD2 . 16174 1 527 . 1 1 58 58 PHE HE1 H 1 7.189 0.020 . 1 . . . . 58 PHE HE1 . 16174 1 528 . 1 1 58 58 PHE HE2 H 1 7.189 0.020 . 1 . . . . 58 PHE HE2 . 16174 1 529 . 1 1 58 58 PHE CA C 13 62.483 0.400 . 1 . . . . 58 PHE CA . 16174 1 530 . 1 1 58 58 PHE CB C 13 39.857 0.400 . 1 . . . . 58 PHE CB . 16174 1 531 . 1 1 58 58 PHE N N 15 123.001 0.400 . 1 . . . . 58 PHE N . 16174 1 532 . 1 1 59 59 VAL H H 1 8.774 0.020 . 1 . . . . 59 VAL H . 16174 1 533 . 1 1 59 59 VAL HA H 1 3.386 0.020 . 1 . . . . 59 VAL HA . 16174 1 534 . 1 1 59 59 VAL HB H 1 1.985 0.020 . 1 . . . . 59 VAL HB . 16174 1 535 . 1 1 59 59 VAL HG11 H 1 0.853 0.020 . 2 . . . . 59 VAL HG1 . 16174 1 536 . 1 1 59 59 VAL HG12 H 1 0.853 0.020 . 2 . . . . 59 VAL HG1 . 16174 1 537 . 1 1 59 59 VAL HG13 H 1 0.853 0.020 . 2 . . . . 59 VAL HG1 . 16174 1 538 . 1 1 59 59 VAL HG21 H 1 0.883 0.020 . 2 . . . . 59 VAL HG2 . 16174 1 539 . 1 1 59 59 VAL HG22 H 1 0.883 0.020 . 2 . . . . 59 VAL HG2 . 16174 1 540 . 1 1 59 59 VAL HG23 H 1 0.883 0.020 . 2 . . . . 59 VAL HG2 . 16174 1 541 . 1 1 59 59 VAL CA C 13 66.557 0.400 . 1 . . . . 59 VAL CA . 16174 1 542 . 1 1 59 59 VAL CB C 13 31.704 0.400 . 1 . . . . 59 VAL CB . 16174 1 543 . 1 1 59 59 VAL CG1 C 13 22.441 0.400 . 1 . . . . 59 VAL CG1 . 16174 1 544 . 1 1 59 59 VAL CG2 C 13 21.090 0.400 . 1 . . . . 59 VAL CG2 . 16174 1 545 . 1 1 59 59 VAL N N 15 119.727 0.400 . 1 . . . . 59 VAL N . 16174 1 546 . 1 1 60 60 ALA H H 1 7.660 0.020 . 1 . . . . 60 ALA H . 16174 1 547 . 1 1 60 60 ALA HA H 1 4.187 0.020 . 1 . . . . 60 ALA HA . 16174 1 548 . 1 1 60 60 ALA HB1 H 1 1.470 0.020 . 1 . . . . 60 ALA HB . 16174 1 549 . 1 1 60 60 ALA HB2 H 1 1.470 0.020 . 1 . . . . 60 ALA HB . 16174 1 550 . 1 1 60 60 ALA HB3 H 1 1.470 0.020 . 1 . . . . 60 ALA HB . 16174 1 551 . 1 1 60 60 ALA CA C 13 54.928 0.400 . 1 . . . . 60 ALA CA . 16174 1 552 . 1 1 60 60 ALA CB C 13 18.084 0.400 . 1 . . . . 60 ALA CB . 16174 1 553 . 1 1 60 60 ALA N N 15 122.300 0.400 . 1 . . . . 60 ALA N . 16174 1 554 . 1 1 61 61 ALA H H 1 7.991 0.020 . 1 . . . . 61 ALA H . 16174 1 555 . 1 1 61 61 ALA HA H 1 4.146 0.020 . 1 . . . . 61 ALA HA . 16174 1 556 . 1 1 61 61 ALA HB1 H 1 1.349 0.020 . 1 . . . . 61 ALA HB . 16174 1 557 . 1 1 61 61 ALA HB2 H 1 1.349 0.020 . 1 . . . . 61 ALA HB . 16174 1 558 . 1 1 61 61 ALA HB3 H 1 1.349 0.020 . 1 . . . . 61 ALA HB . 16174 1 559 . 1 1 61 61 ALA CA C 13 54.785 0.400 . 1 . . . . 61 ALA CA . 16174 1 560 . 1 1 61 61 ALA CB C 13 17.622 0.400 . 1 . . . . 61 ALA CB . 16174 1 561 . 1 1 61 61 ALA N N 15 122.582 0.400 . 1 . . . . 61 ALA N . 16174 1 562 . 1 1 62 62 ALA H H 1 8.923 0.020 . 1 . . . . 62 ALA H . 16174 1 563 . 1 1 62 62 ALA HA H 1 3.591 0.020 . 1 . . . . 62 ALA HA . 16174 1 564 . 1 1 62 62 ALA HB1 H 1 1.002 0.020 . 1 . . . . 62 ALA HB . 16174 1 565 . 1 1 62 62 ALA HB2 H 1 1.002 0.020 . 1 . . . . 62 ALA HB . 16174 1 566 . 1 1 62 62 ALA HB3 H 1 1.002 0.020 . 1 . . . . 62 ALA HB . 16174 1 567 . 1 1 62 62 ALA CA C 13 55.115 0.400 . 1 . . . . 62 ALA CA . 16174 1 568 . 1 1 62 62 ALA CB C 13 17.763 0.400 . 1 . . . . 62 ALA CB . 16174 1 569 . 1 1 62 62 ALA N N 15 122.636 0.400 . 1 . . . . 62 ALA N . 16174 1 570 . 1 1 63 63 ALA H H 1 7.885 0.020 . 1 . . . . 63 ALA H . 16174 1 571 . 1 1 63 63 ALA HA H 1 4.235 0.020 . 1 . . . . 63 ALA HA . 16174 1 572 . 1 1 63 63 ALA HB1 H 1 1.528 0.020 . 1 . . . . 63 ALA HB . 16174 1 573 . 1 1 63 63 ALA HB2 H 1 1.528 0.020 . 1 . . . . 63 ALA HB . 16174 1 574 . 1 1 63 63 ALA HB3 H 1 1.528 0.020 . 1 . . . . 63 ALA HB . 16174 1 575 . 1 1 63 63 ALA CA C 13 55.162 0.400 . 1 . . . . 63 ALA CA . 16174 1 576 . 1 1 63 63 ALA CB C 13 17.440 0.400 . 1 . . . . 63 ALA CB . 16174 1 577 . 1 1 63 63 ALA N N 15 121.572 0.400 . 1 . . . . 63 ALA N . 16174 1 578 . 1 1 64 64 LYS H H 1 7.420 0.020 . 1 . . . . 64 LYS H . 16174 1 579 . 1 1 64 64 LYS HA H 1 4.140 0.020 . 1 . . . . 64 LYS HA . 16174 1 580 . 1 1 64 64 LYS HB2 H 1 1.957 0.020 . 2 . . . . 64 LYS HB2 . 16174 1 581 . 1 1 64 64 LYS HB3 H 1 1.957 0.020 . 2 . . . . 64 LYS HB3 . 16174 1 582 . 1 1 64 64 LYS HD2 H 1 1.729 0.020 . 2 . . . . 64 LYS HD2 . 16174 1 583 . 1 1 64 64 LYS HD3 H 1 1.493 0.020 . 2 . . . . 64 LYS HD3 . 16174 1 584 . 1 1 64 64 LYS HE2 H 1 2.930 0.020 . 2 . . . . 64 LYS HE2 . 16174 1 585 . 1 1 64 64 LYS HE3 H 1 2.930 0.020 . 2 . . . . 64 LYS HE3 . 16174 1 586 . 1 1 64 64 LYS HG2 H 1 1.494 0.020 . 2 . . . . 64 LYS HG2 . 16174 1 587 . 1 1 64 64 LYS HG3 H 1 1.494 0.020 . 2 . . . . 64 LYS HG3 . 16174 1 588 . 1 1 64 64 LYS CA C 13 59.263 0.400 . 1 . . . . 64 LYS CA . 16174 1 589 . 1 1 64 64 LYS CB C 13 31.838 0.400 . 1 . . . . 64 LYS CB . 16174 1 590 . 1 1 64 64 LYS CD C 13 28.723 0.400 . 1 . . . . 64 LYS CD . 16174 1 591 . 1 1 64 64 LYS CE C 13 41.805 0.400 . 1 . . . . 64 LYS CE . 16174 1 592 . 1 1 64 64 LYS CG C 13 24.867 0.400 . 1 . . . . 64 LYS CG . 16174 1 593 . 1 1 64 64 LYS N N 15 119.837 0.400 . 1 . . . . 64 LYS N . 16174 1 594 . 1 1 65 65 VAL H H 1 8.184 0.020 . 1 . . . . 65 VAL H . 16174 1 595 . 1 1 65 65 VAL HA H 1 3.528 0.020 . 1 . . . . 65 VAL HA . 16174 1 596 . 1 1 65 65 VAL HB H 1 2.090 0.020 . 1 . . . . 65 VAL HB . 16174 1 597 . 1 1 65 65 VAL HG11 H 1 0.997 0.020 . 2 . . . . 65 VAL HG1 . 16174 1 598 . 1 1 65 65 VAL HG12 H 1 0.997 0.020 . 2 . . . . 65 VAL HG1 . 16174 1 599 . 1 1 65 65 VAL HG13 H 1 0.997 0.020 . 2 . . . . 65 VAL HG1 . 16174 1 600 . 1 1 65 65 VAL HG21 H 1 0.676 0.020 . 2 . . . . 65 VAL HG2 . 16174 1 601 . 1 1 65 65 VAL HG22 H 1 0.676 0.020 . 2 . . . . 65 VAL HG2 . 16174 1 602 . 1 1 65 65 VAL HG23 H 1 0.676 0.020 . 2 . . . . 65 VAL HG2 . 16174 1 603 . 1 1 65 65 VAL CA C 13 67.570 0.400 . 1 . . . . 65 VAL CA . 16174 1 604 . 1 1 65 65 VAL CB C 13 31.750 0.400 . 1 . . . . 65 VAL CB . 16174 1 605 . 1 1 65 65 VAL CG1 C 13 21.070 0.400 . 1 . . . . 65 VAL CG1 . 16174 1 606 . 1 1 65 65 VAL CG2 C 13 24.446 0.400 . 1 . . . . 65 VAL CG2 . 16174 1 607 . 1 1 65 65 VAL N N 15 120.460 0.400 . 1 . . . . 65 VAL N . 16174 1 608 . 1 1 66 66 ASN H H 1 8.473 0.020 . 1 . . . . 66 ASN H . 16174 1 609 . 1 1 66 66 ASN HA H 1 4.426 0.020 . 1 . . . . 66 ASN HA . 16174 1 610 . 1 1 66 66 ASN HB2 H 1 2.919 0.020 . 2 . . . . 66 ASN HB2 . 16174 1 611 . 1 1 66 66 ASN HB3 H 1 2.919 0.020 . 2 . . . . 66 ASN HB3 . 16174 1 612 . 1 1 66 66 ASN HD21 H 1 7.217 0.020 . 2 . . . . 66 ASN HD21 . 16174 1 613 . 1 1 66 66 ASN HD22 H 1 6.945 0.020 . 2 . . . . 66 ASN HD22 . 16174 1 614 . 1 1 66 66 ASN CA C 13 58.042 0.400 . 1 . . . . 66 ASN CA . 16174 1 615 . 1 1 66 66 ASN CB C 13 38.815 0.400 . 1 . . . . 66 ASN CB . 16174 1 616 . 1 1 66 66 ASN N N 15 118.224 0.400 . 1 . . . . 66 ASN N . 16174 1 617 . 1 1 66 66 ASN ND2 N 15 111.204 0.400 . 1 . . . . 66 ASN ND2 . 16174 1 618 . 1 1 67 67 THR H H 1 8.413 0.020 . 1 . . . . 67 THR H . 16174 1 619 . 1 1 67 67 THR HA H 1 4.200 0.020 . 1 . . . . 67 THR HA . 16174 1 620 . 1 1 67 67 THR HB H 1 4.402 0.020 . 1 . . . . 67 THR HB . 16174 1 621 . 1 1 67 67 THR HG21 H 1 1.359 0.020 . 1 . . . . 67 THR HG2 . 16174 1 622 . 1 1 67 67 THR HG22 H 1 1.359 0.020 . 1 . . . . 67 THR HG2 . 16174 1 623 . 1 1 67 67 THR HG23 H 1 1.359 0.020 . 1 . . . . 67 THR HG2 . 16174 1 624 . 1 1 67 67 THR CA C 13 67.230 0.400 . 1 . . . . 67 THR CA . 16174 1 625 . 1 1 67 67 THR CB C 13 68.863 0.400 . 1 . . . . 67 THR CB . 16174 1 626 . 1 1 67 67 THR CG2 C 13 21.740 0.400 . 1 . . . . 67 THR CG2 . 16174 1 627 . 1 1 67 67 THR N N 15 117.339 0.400 . 1 . . . . 67 THR N . 16174 1 628 . 1 1 68 68 LEU H H 1 8.720 0.020 . 1 . . . . 68 LEU H . 16174 1 629 . 1 1 68 68 LEU HA H 1 4.416 0.020 . 1 . . . . 68 LEU HA . 16174 1 630 . 1 1 68 68 LEU HB2 H 1 2.476 0.020 . 2 . . . . 68 LEU HB2 . 16174 1 631 . 1 1 68 68 LEU HB3 H 1 1.609 0.020 . 2 . . . . 68 LEU HB3 . 16174 1 632 . 1 1 68 68 LEU HD11 H 1 0.628 0.020 . 2 . . . . 68 LEU HD1 . 16174 1 633 . 1 1 68 68 LEU HD12 H 1 0.628 0.020 . 2 . . . . 68 LEU HD1 . 16174 1 634 . 1 1 68 68 LEU HD13 H 1 0.628 0.020 . 2 . . . . 68 LEU HD1 . 16174 1 635 . 1 1 68 68 LEU HD21 H 1 0.734 0.020 . 2 . . . . 68 LEU HD2 . 16174 1 636 . 1 1 68 68 LEU HD22 H 1 0.734 0.020 . 2 . . . . 68 LEU HD2 . 16174 1 637 . 1 1 68 68 LEU HD23 H 1 0.734 0.020 . 2 . . . . 68 LEU HD2 . 16174 1 638 . 1 1 68 68 LEU HG H 1 1.912 0.020 . 1 . . . . 68 LEU HG . 16174 1 639 . 1 1 68 68 LEU CA C 13 58.761 0.400 . 1 . . . . 68 LEU CA . 16174 1 640 . 1 1 68 68 LEU CB C 13 41.681 0.400 . 1 . . . . 68 LEU CB . 16174 1 641 . 1 1 68 68 LEU CD1 C 13 26.876 0.400 . 1 . . . . 68 LEU CD1 . 16174 1 642 . 1 1 68 68 LEU CD2 C 13 22.214 0.400 . 1 . . . . 68 LEU CD2 . 16174 1 643 . 1 1 68 68 LEU CG C 13 27.486 0.400 . 1 . . . . 68 LEU CG . 16174 1 644 . 1 1 68 68 LEU N N 15 121.879 0.400 . 1 . . . . 68 LEU N . 16174 1 645 . 1 1 69 69 LEU H H 1 8.955 0.020 . 1 . . . . 69 LEU H . 16174 1 646 . 1 1 69 69 LEU HA H 1 4.516 0.020 . 1 . . . . 69 LEU HA . 16174 1 647 . 1 1 69 69 LEU HB2 H 1 2.409 0.020 . 2 . . . . 69 LEU HB2 . 16174 1 648 . 1 1 69 69 LEU HB3 H 1 1.568 0.020 . 2 . . . . 69 LEU HB3 . 16174 1 649 . 1 1 69 69 LEU HD11 H 1 1.056 0.020 . 2 . . . . 69 LEU HD1 . 16174 1 650 . 1 1 69 69 LEU HD12 H 1 1.056 0.020 . 2 . . . . 69 LEU HD1 . 16174 1 651 . 1 1 69 69 LEU HD13 H 1 1.056 0.020 . 2 . . . . 69 LEU HD1 . 16174 1 652 . 1 1 69 69 LEU HD21 H 1 0.926 0.020 . 2 . . . . 69 LEU HD2 . 16174 1 653 . 1 1 69 69 LEU HD22 H 1 0.926 0.020 . 2 . . . . 69 LEU HD2 . 16174 1 654 . 1 1 69 69 LEU HD23 H 1 0.926 0.020 . 2 . . . . 69 LEU HD2 . 16174 1 655 . 1 1 69 69 LEU HG H 1 2.519 0.020 . 1 . . . . 69 LEU HG . 16174 1 656 . 1 1 69 69 LEU CA C 13 58.959 0.400 . 1 . . . . 69 LEU CA . 16174 1 657 . 1 1 69 69 LEU CB C 13 41.591 0.400 . 1 . . . . 69 LEU CB . 16174 1 658 . 1 1 69 69 LEU CD1 C 13 26.184 0.400 . 1 . . . . 69 LEU CD1 . 16174 1 659 . 1 1 69 69 LEU CD2 C 13 23.175 0.400 . 1 . . . . 69 LEU CD2 . 16174 1 660 . 1 1 69 69 LEU CG C 13 26.106 0.400 . 1 . . . . 69 LEU CG . 16174 1 661 . 1 1 69 69 LEU N N 15 123.650 0.400 . 1 . . . . 69 LEU N . 16174 1 662 . 1 1 70 70 ASP H H 1 8.261 0.020 . 1 . . . . 70 ASP H . 16174 1 663 . 1 1 70 70 ASP HA H 1 4.425 0.020 . 1 . . . . 70 ASP HA . 16174 1 664 . 1 1 70 70 ASP HB2 H 1 3.322 0.020 . 2 . . . . 70 ASP HB2 . 16174 1 665 . 1 1 70 70 ASP HB3 H 1 2.771 0.020 . 2 . . . . 70 ASP HB3 . 16174 1 666 . 1 1 70 70 ASP CA C 13 58.042 0.400 . 1 . . . . 70 ASP CA . 16174 1 667 . 1 1 70 70 ASP CB C 13 39.667 0.400 . 1 . . . . 70 ASP CB . 16174 1 668 . 1 1 70 70 ASP N N 15 122.481 0.400 . 1 . . . . 70 ASP N . 16174 1 669 . 1 1 71 71 VAL H H 1 8.745 0.020 . 1 . . . . 71 VAL H . 16174 1 670 . 1 1 71 71 VAL HA H 1 3.809 0.020 . 1 . . . . 71 VAL HA . 16174 1 671 . 1 1 71 71 VAL HB H 1 2.523 0.020 . 1 . . . . 71 VAL HB . 16174 1 672 . 1 1 71 71 VAL HG11 H 1 1.312 0.020 . 2 . . . . 71 VAL HG1 . 16174 1 673 . 1 1 71 71 VAL HG12 H 1 1.312 0.020 . 2 . . . . 71 VAL HG1 . 16174 1 674 . 1 1 71 71 VAL HG13 H 1 1.312 0.020 . 2 . . . . 71 VAL HG1 . 16174 1 675 . 1 1 71 71 VAL HG21 H 1 1.245 0.020 . 2 . . . . 71 VAL HG2 . 16174 1 676 . 1 1 71 71 VAL HG22 H 1 1.245 0.020 . 2 . . . . 71 VAL HG2 . 16174 1 677 . 1 1 71 71 VAL HG23 H 1 1.245 0.020 . 2 . . . . 71 VAL HG2 . 16174 1 678 . 1 1 71 71 VAL CA C 13 66.112 0.400 . 1 . . . . 71 VAL CA . 16174 1 679 . 1 1 71 71 VAL CB C 13 32.564 0.400 . 1 . . . . 71 VAL CB . 16174 1 680 . 1 1 71 71 VAL CG1 C 13 22.593 0.400 . 1 . . . . 71 VAL CG1 . 16174 1 681 . 1 1 71 71 VAL CG2 C 13 22.062 0.400 . 1 . . . . 71 VAL CG2 . 16174 1 682 . 1 1 71 71 VAL N N 15 121.499 0.400 . 1 . . . . 71 VAL N . 16174 1 683 . 1 1 72 72 ALA H H 1 8.260 0.020 . 1 . . . . 72 ALA H . 16174 1 684 . 1 1 72 72 ALA HA H 1 3.715 0.020 . 1 . . . . 72 ALA HA . 16174 1 685 . 1 1 72 72 ALA HB1 H 1 1.144 0.020 . 1 . . . . 72 ALA HB . 16174 1 686 . 1 1 72 72 ALA HB2 H 1 1.144 0.020 . 1 . . . . 72 ALA HB . 16174 1 687 . 1 1 72 72 ALA HB3 H 1 1.144 0.020 . 1 . . . . 72 ALA HB . 16174 1 688 . 1 1 72 72 ALA CA C 13 55.150 0.400 . 1 . . . . 72 ALA CA . 16174 1 689 . 1 1 72 72 ALA CB C 13 18.060 0.400 . 1 . . . . 72 ALA CB . 16174 1 690 . 1 1 72 72 ALA N N 15 122.530 0.400 . 1 . . . . 72 ALA N . 16174 1 691 . 1 1 73 73 GLN H H 1 8.313 0.020 . 1 . . . . 73 GLN H . 16174 1 692 . 1 1 73 73 GLN HA H 1 3.758 0.020 . 1 . . . . 73 GLN HA . 16174 1 693 . 1 1 73 73 GLN HB2 H 1 2.277 0.020 . 2 . . . . 73 GLN HB2 . 16174 1 694 . 1 1 73 73 GLN HB3 H 1 2.161 0.020 . 2 . . . . 73 GLN HB3 . 16174 1 695 . 1 1 73 73 GLN HE21 H 1 7.469 0.020 . 2 . . . . 73 GLN HE21 . 16174 1 696 . 1 1 73 73 GLN HE22 H 1 6.809 0.020 . 2 . . . . 73 GLN HE22 . 16174 1 697 . 1 1 73 73 GLN HG2 H 1 2.546 0.020 . 2 . . . . 73 GLN HG2 . 16174 1 698 . 1 1 73 73 GLN HG3 H 1 2.346 0.020 . 2 . . . . 73 GLN HG3 . 16174 1 699 . 1 1 73 73 GLN CA C 13 59.844 0.400 . 1 . . . . 73 GLN CA . 16174 1 700 . 1 1 73 73 GLN CB C 13 28.902 0.400 . 1 . . . . 73 GLN CB . 16174 1 701 . 1 1 73 73 GLN CG C 13 35.324 0.400 . 1 . . . . 73 GLN CG . 16174 1 702 . 1 1 73 73 GLN N N 15 115.831 0.400 . 1 . . . . 73 GLN N . 16174 1 703 . 1 1 73 73 GLN NE2 N 15 110.335 0.400 . 1 . . . . 73 GLN NE2 . 16174 1 704 . 1 1 74 74 ALA H H 1 7.857 0.020 . 1 . . . . 74 ALA H . 16174 1 705 . 1 1 74 74 ALA HA H 1 4.117 0.020 . 1 . . . . 74 ALA HA . 16174 1 706 . 1 1 74 74 ALA HB1 H 1 1.434 0.020 . 1 . . . . 74 ALA HB . 16174 1 707 . 1 1 74 74 ALA HB2 H 1 1.434 0.020 . 1 . . . . 74 ALA HB . 16174 1 708 . 1 1 74 74 ALA HB3 H 1 1.434 0.020 . 1 . . . . 74 ALA HB . 16174 1 709 . 1 1 74 74 ALA CA C 13 54.545 0.400 . 1 . . . . 74 ALA CA . 16174 1 710 . 1 1 74 74 ALA CB C 13 18.023 0.400 . 1 . . . . 74 ALA CB . 16174 1 711 . 1 1 74 74 ALA N N 15 120.758 0.400 . 1 . . . . 74 ALA N . 16174 1 712 . 1 1 75 75 ASN H H 1 7.450 0.020 . 1 . . . . 75 ASN H . 16174 1 713 . 1 1 75 75 ASN HA H 1 4.153 0.020 . 1 . . . . 75 ASN HA . 16174 1 714 . 1 1 75 75 ASN HB2 H 1 1.014 0.020 . 2 . . . . 75 ASN HB2 . 16174 1 715 . 1 1 75 75 ASN HB3 H 1 1.203 0.020 . 2 . . . . 75 ASN HB3 . 16174 1 716 . 1 1 75 75 ASN HD21 H 1 6.579 0.020 . 2 . . . . 75 ASN HD21 . 16174 1 717 . 1 1 75 75 ASN HD22 H 1 6.389 0.020 . 2 . . . . 75 ASN HD22 . 16174 1 718 . 1 1 75 75 ASN CA C 13 55.124 0.400 . 1 . . . . 75 ASN CA . 16174 1 719 . 1 1 75 75 ASN CB C 13 38.868 0.400 . 1 . . . . 75 ASN CB . 16174 1 720 . 1 1 75 75 ASN N N 15 115.596 0.400 . 1 . . . . 75 ASN N . 16174 1 721 . 1 1 75 75 ASN ND2 N 15 111.414 0.400 . 1 . . . . 75 ASN ND2 . 16174 1 722 . 1 1 76 76 LEU H H 1 7.411 0.020 . 1 . . . . 76 LEU H . 16174 1 723 . 1 1 76 76 LEU HA H 1 4.319 0.020 . 1 . . . . 76 LEU HA . 16174 1 724 . 1 1 76 76 LEU HB2 H 1 1.516 0.020 . 2 . . . . 76 LEU HB2 . 16174 1 725 . 1 1 76 76 LEU HB3 H 1 1.265 0.020 . 2 . . . . 76 LEU HB3 . 16174 1 726 . 1 1 76 76 LEU HD11 H 1 0.198 0.020 . 2 . . . . 76 LEU HD1 . 16174 1 727 . 1 1 76 76 LEU HD12 H 1 0.198 0.020 . 2 . . . . 76 LEU HD1 . 16174 1 728 . 1 1 76 76 LEU HD13 H 1 0.198 0.020 . 2 . . . . 76 LEU HD1 . 16174 1 729 . 1 1 76 76 LEU HD21 H 1 0.788 0.020 . 2 . . . . 76 LEU HD2 . 16174 1 730 . 1 1 76 76 LEU HD22 H 1 0.788 0.020 . 2 . . . . 76 LEU HD2 . 16174 1 731 . 1 1 76 76 LEU HD23 H 1 0.788 0.020 . 2 . . . . 76 LEU HD2 . 16174 1 732 . 1 1 76 76 LEU HG H 1 1.414 0.020 . 1 . . . . 76 LEU HG . 16174 1 733 . 1 1 76 76 LEU CA C 13 55.143 0.400 . 1 . . . . 76 LEU CA . 16174 1 734 . 1 1 76 76 LEU CB C 13 43.336 0.400 . 1 . . . . 76 LEU CB . 16174 1 735 . 1 1 76 76 LEU CD1 C 13 25.097 0.400 . 1 . . . . 76 LEU CD1 . 16174 1 736 . 1 1 76 76 LEU CD2 C 13 24.258 0.400 . 1 . . . . 76 LEU CD2 . 16174 1 737 . 1 1 76 76 LEU CG C 13 26.464 0.400 . 1 . . . . 76 LEU CG . 16174 1 738 . 1 1 76 76 LEU N N 15 118.188 0.400 . 1 . . . . 76 LEU N . 16174 1 739 . 1 1 77 77 GLY H H 1 7.770 0.020 . 1 . . . . 77 GLY H . 16174 1 740 . 1 1 77 77 GLY HA2 H 1 3.917 0.020 . 2 . . . . 77 GLY HA2 . 16174 1 741 . 1 1 77 77 GLY HA3 H 1 3.917 0.020 . 2 . . . . 77 GLY HA3 . 16174 1 742 . 1 1 77 77 GLY CA C 13 45.958 0.400 . 1 . . . . 77 GLY CA . 16174 1 743 . 1 1 77 77 GLY N N 15 107.689 0.400 . 1 . . . . 77 GLY N . 16174 1 744 . 1 1 78 78 GLU H H 1 8.521 0.020 . 1 . . . . 78 GLU H . 16174 1 745 . 1 1 78 78 GLU HA H 1 4.272 0.020 . 1 . . . . 78 GLU HA . 16174 1 746 . 1 1 78 78 GLU CA C 13 57.263 0.400 . 1 . . . . 78 GLU CA . 16174 1 747 . 1 1 78 78 GLU CB C 13 30.030 0.400 . 1 . . . . 78 GLU CB . 16174 1 748 . 1 1 78 78 GLU N N 15 122.180 0.400 . 1 . . . . 78 GLU N . 16174 1 749 . 1 1 79 79 ALA H H 1 8.168 0.020 . 1 . . . . 79 ALA H . 16174 1 750 . 1 1 79 79 ALA HA H 1 4.297 0.020 . 1 . . . . 79 ALA HA . 16174 1 751 . 1 1 79 79 ALA HB1 H 1 1.420 0.020 . 1 . . . . 79 ALA HB . 16174 1 752 . 1 1 79 79 ALA HB2 H 1 1.420 0.020 . 1 . . . . 79 ALA HB . 16174 1 753 . 1 1 79 79 ALA HB3 H 1 1.420 0.020 . 1 . . . . 79 ALA HB . 16174 1 754 . 1 1 79 79 ALA CA C 13 53.100 0.400 . 1 . . . . 79 ALA CA . 16174 1 755 . 1 1 79 79 ALA CB C 13 18.928 0.400 . 1 . . . . 79 ALA CB . 16174 1 756 . 1 1 79 79 ALA N N 15 123.257 0.400 . 1 . . . . 79 ALA N . 16174 1 757 . 1 1 80 80 ALA H H 1 7.979 0.020 . 1 . . . . 80 ALA H . 16174 1 758 . 1 1 80 80 ALA HA H 1 4.313 0.020 . 1 . . . . 80 ALA HA . 16174 1 759 . 1 1 80 80 ALA HB1 H 1 1.427 0.020 . 1 . . . . 80 ALA HB . 16174 1 760 . 1 1 80 80 ALA HB2 H 1 1.427 0.020 . 1 . . . . 80 ALA HB . 16174 1 761 . 1 1 80 80 ALA HB3 H 1 1.427 0.020 . 1 . . . . 80 ALA HB . 16174 1 762 . 1 1 80 80 ALA CA C 13 52.808 0.400 . 1 . . . . 80 ALA CA . 16174 1 763 . 1 1 80 80 ALA CB C 13 19.498 0.400 . 1 . . . . 80 ALA CB . 16174 1 764 . 1 1 80 80 ALA N N 15 120.740 0.400 . 1 . . . . 80 ALA N . 16174 1 765 . 1 1 81 81 GLY H H 1 8.007 0.020 . 1 . . . . 81 GLY H . 16174 1 766 . 1 1 81 81 GLY HA2 H 1 4.088 0.020 . 2 . . . . 81 GLY HA2 . 16174 1 767 . 1 1 81 81 GLY HA3 H 1 3.965 0.020 . 2 . . . . 81 GLY HA3 . 16174 1 768 . 1 1 81 81 GLY CA C 13 45.232 0.400 . 1 . . . . 81 GLY CA . 16174 1 769 . 1 1 81 81 GLY N N 15 106.180 0.400 . 1 . . . . 81 GLY N . 16174 1 770 . 1 1 82 82 THR H H 1 7.954 0.020 . 1 . . . . 82 THR H . 16174 1 771 . 1 1 82 82 THR HA H 1 4.336 0.020 . 1 . . . . 82 THR HA . 16174 1 772 . 1 1 82 82 THR HB H 1 4.072 0.020 . 1 . . . . 82 THR HB . 16174 1 773 . 1 1 82 82 THR HG21 H 1 1.141 0.020 . 1 . . . . 82 THR HG2 . 16174 1 774 . 1 1 82 82 THR HG22 H 1 1.141 0.020 . 1 . . . . 82 THR HG2 . 16174 1 775 . 1 1 82 82 THR HG23 H 1 1.141 0.020 . 1 . . . . 82 THR HG2 . 16174 1 776 . 1 1 82 82 THR CA C 13 61.949 0.400 . 1 . . . . 82 THR CA . 16174 1 777 . 1 1 82 82 THR CB C 13 70.159 0.400 . 1 . . . . 82 THR CB . 16174 1 778 . 1 1 82 82 THR N N 15 113.350 0.400 . 1 . . . . 82 THR N . 16174 1 779 . 1 1 83 83 TYR H H 1 8.247 0.020 . 1 . . . . 83 TYR H . 16174 1 780 . 1 1 83 83 TYR HA H 1 4.333 0.020 . 1 . . . . 83 TYR HA . 16174 1 781 . 1 1 83 83 TYR HB2 H 1 2.964 0.020 . 2 . . . . 83 TYR HB2 . 16174 1 782 . 1 1 83 83 TYR HB3 H 1 2.964 0.020 . 2 . . . . 83 TYR HB3 . 16174 1 783 . 1 1 83 83 TYR HD1 H 1 7.075 0.020 . 1 . . . . 83 TYR HD1 . 16174 1 784 . 1 1 83 83 TYR HD2 H 1 7.075 0.020 . 1 . . . . 83 TYR HD2 . 16174 1 785 . 1 1 83 83 TYR HE1 H 1 6.776 0.020 . 1 . . . . 83 TYR HE1 . 16174 1 786 . 1 1 83 83 TYR HE2 H 1 6.776 0.020 . 1 . . . . 83 TYR HE2 . 16174 1 787 . 1 1 83 83 TYR CA C 13 57.953 0.400 . 1 . . . . 83 TYR CA . 16174 1 788 . 1 1 83 83 TYR CB C 13 39.099 0.400 . 1 . . . . 83 TYR CB . 16174 1 789 . 1 1 83 83 TYR N N 15 123.390 0.400 . 1 . . . . 83 TYR N . 16174 1 790 . 1 1 84 84 VAL H H 1 7.915 0.020 . 1 . . . . 84 VAL H . 16174 1 791 . 1 1 84 84 VAL HA H 1 3.990 0.020 . 1 . . . . 84 VAL HA . 16174 1 792 . 1 1 84 84 VAL HB H 1 1.931 0.020 . 1 . . . . 84 VAL HB . 16174 1 793 . 1 1 84 84 VAL HG11 H 1 0.856 0.020 . 2 . . . . 84 VAL HG1 . 16174 1 794 . 1 1 84 84 VAL HG12 H 1 0.856 0.020 . 2 . . . . 84 VAL HG1 . 16174 1 795 . 1 1 84 84 VAL HG13 H 1 0.856 0.020 . 2 . . . . 84 VAL HG1 . 16174 1 796 . 1 1 84 84 VAL HG21 H 1 0.856 0.020 . 2 . . . . 84 VAL HG2 . 16174 1 797 . 1 1 84 84 VAL HG22 H 1 0.856 0.020 . 2 . . . . 84 VAL HG2 . 16174 1 798 . 1 1 84 84 VAL HG23 H 1 0.856 0.020 . 2 . . . . 84 VAL HG2 . 16174 1 799 . 1 1 84 84 VAL CA C 13 61.696 0.400 . 1 . . . . 84 VAL CA . 16174 1 800 . 1 1 84 84 VAL CB C 13 33.128 0.400 . 1 . . . . 84 VAL CB . 16174 1 801 . 1 1 84 84 VAL CG1 C 13 20.827 0.400 . 1 . . . . 84 VAL CG1 . 16174 1 802 . 1 1 84 84 VAL N N 15 124.271 0.400 . 1 . . . . 84 VAL N . 16174 1 803 . 1 1 85 85 ALA H H 1 8.216 0.020 . 1 . . . . 85 ALA H . 16174 1 804 . 1 1 85 85 ALA HA H 1 4.194 0.020 . 1 . . . . 85 ALA HA . 16174 1 805 . 1 1 85 85 ALA HB1 H 1 1.397 0.020 . 1 . . . . 85 ALA HB . 16174 1 806 . 1 1 85 85 ALA HB2 H 1 1.397 0.020 . 1 . . . . 85 ALA HB . 16174 1 807 . 1 1 85 85 ALA HB3 H 1 1.397 0.020 . 1 . . . . 85 ALA HB . 16174 1 808 . 1 1 85 85 ALA CA C 13 52.454 0.400 . 1 . . . . 85 ALA CA . 16174 1 809 . 1 1 85 85 ALA CB C 13 19.240 0.400 . 1 . . . . 85 ALA CB . 16174 1 810 . 1 1 85 85 ALA N N 15 128.393 0.400 . 1 . . . . 85 ALA N . 16174 1 811 . 1 1 86 86 ALA H H 1 8.235 0.020 . 1 . . . . 86 ALA H . 16174 1 812 . 1 1 86 86 ALA HA H 1 4.190 0.020 . 1 . . . . 86 ALA HA . 16174 1 813 . 1 1 86 86 ALA HB1 H 1 1.386 0.020 . 1 . . . . 86 ALA HB . 16174 1 814 . 1 1 86 86 ALA HB2 H 1 1.386 0.020 . 1 . . . . 86 ALA HB . 16174 1 815 . 1 1 86 86 ALA HB3 H 1 1.386 0.020 . 1 . . . . 86 ALA HB . 16174 1 816 . 1 1 86 86 ALA CA C 13 52.954 0.400 . 1 . . . . 86 ALA CA . 16174 1 817 . 1 1 86 86 ALA CB C 13 19.225 0.400 . 1 . . . . 86 ALA CB . 16174 1 818 . 1 1 86 86 ALA N N 15 123.415 0.400 . 1 . . . . 86 ALA N . 16174 1 819 . 1 1 87 87 ASP H H 1 8.159 0.020 . 1 . . . . 87 ASP H . 16174 1 820 . 1 1 87 87 ASP HA H 1 4.549 0.020 . 1 . . . . 87 ASP HA . 16174 1 821 . 1 1 87 87 ASP HB2 H 1 2.667 0.020 . 2 . . . . 87 ASP HB2 . 16174 1 822 . 1 1 87 87 ASP HB3 H 1 2.667 0.020 . 2 . . . . 87 ASP HB3 . 16174 1 823 . 1 1 87 87 ASP CA C 13 54.362 0.400 . 1 . . . . 87 ASP CA . 16174 1 824 . 1 1 87 87 ASP CB C 13 41.090 0.400 . 1 . . . . 87 ASP CB . 16174 1 825 . 1 1 87 87 ASP N N 15 118.608 0.400 . 1 . . . . 87 ASP N . 16174 1 826 . 1 1 88 88 ALA H H 1 8.067 0.020 . 1 . . . . 88 ALA H . 16174 1 827 . 1 1 88 88 ALA HA H 1 4.251 0.020 . 1 . . . . 88 ALA HA . 16174 1 828 . 1 1 88 88 ALA HB1 H 1 1.403 0.020 . 1 . . . . 88 ALA HB . 16174 1 829 . 1 1 88 88 ALA HB2 H 1 1.403 0.020 . 1 . . . . 88 ALA HB . 16174 1 830 . 1 1 88 88 ALA HB3 H 1 1.403 0.020 . 1 . . . . 88 ALA HB . 16174 1 831 . 1 1 88 88 ALA CA C 13 53.181 0.400 . 1 . . . . 88 ALA CA . 16174 1 832 . 1 1 88 88 ALA CB C 13 19.320 0.400 . 1 . . . . 88 ALA CB . 16174 1 833 . 1 1 88 88 ALA N N 15 124.465 0.400 . 1 . . . . 88 ALA N . 16174 1 834 . 1 1 89 89 ALA H H 1 7.973 0.020 . 1 . . . . 89 ALA H . 16174 1 835 . 1 1 89 89 ALA HA H 1 4.240 0.020 . 1 . . . . 89 ALA HA . 16174 1 836 . 1 1 89 89 ALA HB1 H 1 1.334 0.020 . 1 . . . . 89 ALA HB . 16174 1 837 . 1 1 89 89 ALA HB2 H 1 1.334 0.020 . 1 . . . . 89 ALA HB . 16174 1 838 . 1 1 89 89 ALA HB3 H 1 1.334 0.020 . 1 . . . . 89 ALA HB . 16174 1 839 . 1 1 89 89 ALA CA C 13 52.788 0.400 . 1 . . . . 89 ALA CA . 16174 1 840 . 1 1 89 89 ALA CB C 13 19.061 0.400 . 1 . . . . 89 ALA CB . 16174 1 841 . 1 1 89 89 ALA N N 15 122.365 0.400 . 1 . . . . 89 ALA N . 16174 1 842 . 1 1 90 90 ALA H H 1 8.067 0.020 . 1 . . . . 90 ALA H . 16174 1 843 . 1 1 90 90 ALA HA H 1 4.239 0.020 . 1 . . . . 90 ALA HA . 16174 1 844 . 1 1 90 90 ALA HB1 H 1 1.418 0.020 . 1 . . . . 90 ALA HB . 16174 1 845 . 1 1 90 90 ALA HB2 H 1 1.418 0.020 . 1 . . . . 90 ALA HB . 16174 1 846 . 1 1 90 90 ALA HB3 H 1 1.418 0.020 . 1 . . . . 90 ALA HB . 16174 1 847 . 1 1 90 90 ALA CA C 13 52.817 0.400 . 1 . . . . 90 ALA CA . 16174 1 848 . 1 1 90 90 ALA CB C 13 19.267 0.400 . 1 . . . . 90 ALA CB . 16174 1 849 . 1 1 90 90 ALA N N 15 122.385 0.400 . 1 . . . . 90 ALA N . 16174 1 850 . 1 1 91 91 ALA H H 1 8.137 0.020 . 1 . . . . 91 ALA H . 16174 1 851 . 1 1 91 91 ALA HA H 1 4.248 0.020 . 1 . . . . 91 ALA HA . 16174 1 852 . 1 1 91 91 ALA HB1 H 1 1.403 0.020 . 1 . . . . 91 ALA HB . 16174 1 853 . 1 1 91 91 ALA HB2 H 1 1.403 0.020 . 1 . . . . 91 ALA HB . 16174 1 854 . 1 1 91 91 ALA HB3 H 1 1.403 0.020 . 1 . . . . 91 ALA HB . 16174 1 855 . 1 1 91 91 ALA CA C 13 52.918 0.400 . 1 . . . . 91 ALA CA . 16174 1 856 . 1 1 91 91 ALA CB C 13 19.281 0.400 . 1 . . . . 91 ALA CB . 16174 1 857 . 1 1 91 91 ALA N N 15 122.107 0.400 . 1 . . . . 91 ALA N . 16174 1 858 . 1 1 92 92 SER H H 1 8.153 0.020 . 1 . . . . 92 SER H . 16174 1 859 . 1 1 92 92 SER HA H 1 4.496 0.020 . 1 . . . . 92 SER HA . 16174 1 860 . 1 1 92 92 SER HB2 H 1 3.893 0.020 . 2 . . . . 92 SER HB2 . 16174 1 861 . 1 1 92 92 SER HB3 H 1 3.893 0.020 . 2 . . . . 92 SER HB3 . 16174 1 862 . 1 1 92 92 SER CA C 13 58.628 0.400 . 1 . . . . 92 SER CA . 16174 1 863 . 1 1 92 92 SER CB C 13 63.965 0.400 . 1 . . . . 92 SER CB . 16174 1 864 . 1 1 92 92 SER N N 15 114.389 0.400 . 1 . . . . 92 SER N . 16174 1 865 . 1 1 93 93 THR H H 1 7.984 0.020 . 1 . . . . 93 THR H . 16174 1 866 . 1 1 93 93 THR HA H 1 4.320 0.020 . 1 . . . . 93 THR HA . 16174 1 867 . 1 1 93 93 THR HB H 1 4.161 0.020 . 1 . . . . 93 THR HB . 16174 1 868 . 1 1 93 93 THR HG21 H 1 1.131 0.020 . 1 . . . . 93 THR HG2 . 16174 1 869 . 1 1 93 93 THR HG22 H 1 1.131 0.020 . 1 . . . . 93 THR HG2 . 16174 1 870 . 1 1 93 93 THR HG23 H 1 1.131 0.020 . 1 . . . . 93 THR HG2 . 16174 1 871 . 1 1 93 93 THR CA C 13 62.146 0.400 . 1 . . . . 93 THR CA . 16174 1 872 . 1 1 93 93 THR CB C 13 69.796 0.400 . 1 . . . . 93 THR CB . 16174 1 873 . 1 1 93 93 THR CG2 C 13 21.485 0.400 . 1 . . . . 93 THR CG2 . 16174 1 874 . 1 1 93 93 THR N N 15 115.153 0.400 . 1 . . . . 93 THR N . 16174 1 875 . 1 1 94 94 TYR H H 1 8.170 0.020 . 1 . . . . 94 TYR H . 16174 1 876 . 1 1 94 94 TYR HB2 H 1 3.020 0.020 . 2 . . . . 94 TYR HB2 . 16174 1 877 . 1 1 94 94 TYR HB3 H 1 3.020 0.020 . 2 . . . . 94 TYR HB3 . 16174 1 878 . 1 1 94 94 TYR HD1 H 1 7.078 0.020 . 1 . . . . 94 TYR HD1 . 16174 1 879 . 1 1 94 94 TYR HD2 H 1 7.078 0.020 . 1 . . . . 94 TYR HD2 . 16174 1 880 . 1 1 94 94 TYR HE1 H 1 6.782 0.020 . 1 . . . . 94 TYR HE1 . 16174 1 881 . 1 1 94 94 TYR HE2 H 1 6.782 0.020 . 1 . . . . 94 TYR HE2 . 16174 1 882 . 1 1 94 94 TYR CA C 13 58.206 0.400 . 1 . . . . 94 TYR CA . 16174 1 883 . 1 1 94 94 TYR CB C 13 38.740 0.400 . 1 . . . . 94 TYR CB . 16174 1 884 . 1 1 94 94 TYR N N 15 122.801 0.400 . 1 . . . . 94 TYR N . 16174 1 885 . 1 1 95 95 THR H H 1 8.029 0.020 . 1 . . . . 95 THR H . 16174 1 886 . 1 1 95 95 THR HA H 1 4.286 0.020 . 1 . . . . 95 THR HA . 16174 1 887 . 1 1 95 95 THR HB H 1 4.138 0.020 . 1 . . . . 95 THR HB . 16174 1 888 . 1 1 95 95 THR HG21 H 1 1.124 0.020 . 1 . . . . 95 THR HG2 . 16174 1 889 . 1 1 95 95 THR HG22 H 1 1.124 0.020 . 1 . . . . 95 THR HG2 . 16174 1 890 . 1 1 95 95 THR HG23 H 1 1.124 0.020 . 1 . . . . 95 THR HG2 . 16174 1 891 . 1 1 95 95 THR CA C 13 61.665 0.400 . 1 . . . . 95 THR CA . 16174 1 892 . 1 1 95 95 THR CB C 13 69.838 0.400 . 1 . . . . 95 THR CB . 16174 1 893 . 1 1 95 95 THR CG2 C 13 21.432 0.400 . 1 . . . . 95 THR CG2 . 16174 1 894 . 1 1 95 95 THR N N 15 115.984 0.400 . 1 . . . . 95 THR N . 16174 1 895 . 1 1 96 96 GLY H H 1 7.448 0.020 . 1 . . . . 96 GLY H . 16174 1 896 . 1 1 96 96 GLY HA2 H 1 3.856 0.020 . 2 . . . . 96 GLY HA2 . 16174 1 897 . 1 1 96 96 GLY HA3 H 1 3.746 0.020 . 2 . . . . 96 GLY HA3 . 16174 1 898 . 1 1 96 96 GLY CA C 13 45.326 0.400 . 1 . . . . 96 GLY CA . 16174 1 899 . 1 1 96 96 GLY N N 15 110.131 0.400 . 1 . . . . 96 GLY N . 16174 1 900 . 1 1 97 97 PHE H H 1 7.574 0.020 . 1 . . . . 97 PHE H . 16174 1 901 . 1 1 97 97 PHE HA H 1 4.479 0.020 . 1 . . . . 97 PHE HA . 16174 1 902 . 1 1 97 97 PHE HB2 H 1 3.167 0.020 . 2 . . . . 97 PHE HB2 . 16174 1 903 . 1 1 97 97 PHE HB3 H 1 2.951 0.020 . 2 . . . . 97 PHE HB3 . 16174 1 904 . 1 1 97 97 PHE CA C 13 59.002 0.400 . 1 . . . . 97 PHE CA . 16174 1 905 . 1 1 97 97 PHE CB C 13 40.358 0.400 . 1 . . . . 97 PHE CB . 16174 1 906 . 1 1 97 97 PHE N N 15 124.406 0.400 . 1 . . . . 97 PHE N . 16174 1 907 . 2 2 2 2 MET HA H 1 4.519 0.020 . 1 . . . . 602 MET HA . 16174 1 908 . 2 2 2 2 MET HB2 H 1 2.087 0.020 . 2 . . . . 602 MET HB2 . 16174 1 909 . 2 2 2 2 MET HB3 H 1 2.008 0.020 . 2 . . . . 602 MET HB3 . 16174 1 910 . 2 2 2 2 MET HE1 H 1 2.038 0.020 . 1 . . . . 602 MET HE . 16174 1 911 . 2 2 2 2 MET HE2 H 1 2.038 0.020 . 1 . . . . 602 MET HE . 16174 1 912 . 2 2 2 2 MET HE3 H 1 2.038 0.020 . 1 . . . . 602 MET HE . 16174 1 913 . 2 2 2 2 MET HG2 H 1 2.614 0.020 . 2 . . . . 602 MET HG2 . 16174 1 914 . 2 2 2 2 MET HG3 H 1 2.521 0.020 . 2 . . . . 602 MET HG3 . 16174 1 915 . 2 2 2 2 MET CA C 13 55.888 0.400 . 1 . . . . 602 MET CA . 16174 1 916 . 2 2 2 2 MET CB C 13 32.917 0.400 . 1 . . . . 602 MET CB . 16174 1 917 . 2 2 2 2 MET CE C 13 17.043 0.400 . 1 . . . . 602 MET CE . 16174 1 918 . 2 2 2 2 MET CG C 13 32.200 0.400 . 1 . . . . 602 MET CG . 16174 1 919 . 2 2 3 3 SER H H 1 8.365 0.020 . 1 . . . . 603 SER H . 16174 1 920 . 2 2 3 3 SER HA H 1 4.387 0.020 . 1 . . . . 603 SER HA . 16174 1 921 . 2 2 3 3 SER HB2 H 1 3.834 0.020 . 2 . . . . 603 SER HB2 . 16174 1 922 . 2 2 3 3 SER HB3 H 1 3.834 0.020 . 2 . . . . 603 SER HB3 . 16174 1 923 . 2 2 3 3 SER CA C 13 58.781 0.400 . 1 . . . . 603 SER CA . 16174 1 924 . 2 2 3 3 SER CB C 13 63.743 0.400 . 1 . . . . 603 SER CB . 16174 1 925 . 2 2 3 3 SER N N 15 116.880 0.400 . 1 . . . . 603 SER N . 16174 1 926 . 2 2 4 4 GLN H H 1 8.292 0.020 . 1 . . . . 604 GLN H . 16174 1 927 . 2 2 4 4 GLN HA H 1 4.305 0.020 . 1 . . . . 604 GLN HA . 16174 1 928 . 2 2 4 4 GLN HB2 H 1 2.077 0.020 . 2 . . . . 604 GLN HB2 . 16174 1 929 . 2 2 4 4 GLN HB3 H 1 1.963 0.020 . 2 . . . . 604 GLN HB3 . 16174 1 930 . 2 2 4 4 GLN HG2 H 1 2.312 0.020 . 2 . . . . 604 GLN HG2 . 16174 1 931 . 2 2 4 4 GLN HG3 H 1 2.312 0.020 . 2 . . . . 604 GLN HG3 . 16174 1 932 . 2 2 4 4 GLN CA C 13 56.239 0.400 . 1 . . . . 604 GLN CA . 16174 1 933 . 2 2 4 4 GLN CB C 13 29.478 0.400 . 1 . . . . 604 GLN CB . 16174 1 934 . 2 2 4 4 GLN CG C 13 33.916 0.400 . 1 . . . . 604 GLN CG . 16174 1 935 . 2 2 4 4 GLN N N 15 121.871 0.400 . 1 . . . . 604 GLN N . 16174 1 936 . 2 2 5 5 ILE H H 1 7.999 0.020 . 1 . . . . 605 ILE H . 16174 1 937 . 2 2 5 5 ILE HA H 1 4.042 0.020 . 1 . . . . 605 ILE HA . 16174 1 938 . 2 2 5 5 ILE HB H 1 1.762 0.020 . 1 . . . . 605 ILE HB . 16174 1 939 . 2 2 5 5 ILE HD11 H 1 0.791 0.020 . 1 . . . . 605 ILE HD1 . 16174 1 940 . 2 2 5 5 ILE HD12 H 1 0.791 0.020 . 1 . . . . 605 ILE HD1 . 16174 1 941 . 2 2 5 5 ILE HD13 H 1 0.791 0.020 . 1 . . . . 605 ILE HD1 . 16174 1 942 . 2 2 5 5 ILE HG12 H 1 1.407 0.020 . 2 . . . . 605 ILE HG12 . 16174 1 943 . 2 2 5 5 ILE HG13 H 1 1.105 0.020 . 2 . . . . 605 ILE HG13 . 16174 1 944 . 2 2 5 5 ILE HG21 H 1 0.728 0.020 . 1 . . . . 605 ILE HG2 . 16174 1 945 . 2 2 5 5 ILE HG22 H 1 0.728 0.020 . 1 . . . . 605 ILE HG2 . 16174 1 946 . 2 2 5 5 ILE HG23 H 1 0.728 0.020 . 1 . . . . 605 ILE HG2 . 16174 1 947 . 2 2 5 5 ILE CA C 13 61.560 0.400 . 1 . . . . 605 ILE CA . 16174 1 948 . 2 2 5 5 ILE CB C 13 38.555 0.400 . 1 . . . . 605 ILE CB . 16174 1 949 . 2 2 5 5 ILE CD1 C 13 12.987 0.400 . 1 . . . . 605 ILE CD1 . 16174 1 950 . 2 2 5 5 ILE CG1 C 13 27.609 0.400 . 1 . . . . 605 ILE CG1 . 16174 1 951 . 2 2 5 5 ILE CG2 C 13 17.546 0.400 . 1 . . . . 605 ILE CG2 . 16174 1 952 . 2 2 5 5 ILE N N 15 121.184 0.400 . 1 . . . . 605 ILE N . 16174 1 953 . 2 2 6 6 MET H H 1 8.146 0.020 . 1 . . . . 606 MET H . 16174 1 954 . 2 2 6 6 MET HA H 1 4.399 0.020 . 1 . . . . 606 MET HA . 16174 1 955 . 2 2 6 6 MET HB2 H 1 1.883 0.020 . 2 . . . . 606 MET HB2 . 16174 1 956 . 2 2 6 6 MET HB3 H 1 1.883 0.020 . 2 . . . . 606 MET HB3 . 16174 1 957 . 2 2 6 6 MET HE1 H 1 1.978 0.020 . 1 . . . . 606 MET HE . 16174 1 958 . 2 2 6 6 MET HE2 H 1 1.978 0.020 . 1 . . . . 606 MET HE . 16174 1 959 . 2 2 6 6 MET HE3 H 1 1.978 0.020 . 1 . . . . 606 MET HE . 16174 1 960 . 2 2 6 6 MET HG2 H 1 2.430 0.020 . 2 . . . . 606 MET HG2 . 16174 1 961 . 2 2 6 6 MET HG3 H 1 2.359 0.020 . 2 . . . . 606 MET HG3 . 16174 1 962 . 2 2 6 6 MET CA C 13 55.421 0.400 . 1 . . . . 606 MET CA . 16174 1 963 . 2 2 6 6 MET CB C 13 32.943 0.400 . 1 . . . . 606 MET CB . 16174 1 964 . 2 2 6 6 MET CE C 13 17.051 0.400 . 1 . . . . 606 MET CE . 16174 1 965 . 2 2 6 6 MET CG C 13 32.027 0.400 . 1 . . . . 606 MET CG . 16174 1 966 . 2 2 6 6 MET N N 15 122.980 0.400 . 1 . . . . 606 MET N . 16174 1 967 . 2 2 7 7 TYR H H 1 7.984 0.020 . 1 . . . . 607 TYR H . 16174 1 968 . 2 2 7 7 TYR HA H 1 4.448 0.020 . 1 . . . . 607 TYR HA . 16174 1 969 . 2 2 7 7 TYR HB2 H 1 2.890 0.020 . 2 . . . . 607 TYR HB2 . 16174 1 970 . 2 2 7 7 TYR HB3 H 1 2.757 0.020 . 2 . . . . 607 TYR HB3 . 16174 1 971 . 2 2 7 7 TYR HD1 H 1 7.041 0.020 . 1 . . . . 607 TYR HD1 . 16174 1 972 . 2 2 7 7 TYR HD2 H 1 7.041 0.020 . 1 . . . . 607 TYR HD2 . 16174 1 973 . 2 2 7 7 TYR HE1 H 1 6.751 0.020 . 1 . . . . 607 TYR HE1 . 16174 1 974 . 2 2 7 7 TYR HE2 H 1 6.751 0.020 . 1 . . . . 607 TYR HE2 . 16174 1 975 . 2 2 7 7 TYR CA C 13 58.001 0.400 . 1 . . . . 607 TYR CA . 16174 1 976 . 2 2 7 7 TYR CB C 13 38.831 0.400 . 1 . . . . 607 TYR CB . 16174 1 977 . 2 2 7 7 TYR N N 15 120.616 0.400 . 1 . . . . 607 TYR N . 16174 1 978 . 2 2 8 8 ASN H H 1 8.109 0.020 . 1 . . . . 608 ASN H . 16174 1 979 . 2 2 8 8 ASN HA H 1 4.660 0.020 . 1 . . . . 608 ASN HA . 16174 1 980 . 2 2 8 8 ASN HB2 H 1 2.728 0.020 . 2 . . . . 608 ASN HB2 . 16174 1 981 . 2 2 8 8 ASN HB3 H 1 2.565 0.020 . 2 . . . . 608 ASN HB3 . 16174 1 982 . 2 2 8 8 ASN HD21 H 1 7.471 0.020 . 2 . . . . 608 ASN HD21 . 16174 1 983 . 2 2 8 8 ASN HD22 H 1 6.812 0.020 . 2 . . . . 608 ASN HD22 . 16174 1 984 . 2 2 8 8 ASN CA C 13 52.698 0.400 . 1 . . . . 608 ASN CA . 16174 1 985 . 2 2 8 8 ASN CB C 13 38.812 0.400 . 1 . . . . 608 ASN CB . 16174 1 986 . 2 2 8 8 ASN N N 15 119.653 0.400 . 1 . . . . 608 ASN N . 16174 1 987 . 2 2 8 8 ASN ND2 N 15 112.029 0.400 . 1 . . . . 608 ASN ND2 . 16174 1 988 . 2 2 9 9 TYR H H 1 7.958 0.020 . 1 . . . . 609 TYR H . 16174 1 989 . 2 2 9 9 TYR HA H 1 4.213 0.020 . 1 . . . . 609 TYR HA . 16174 1 990 . 2 2 9 9 TYR HB2 H 1 3.353 0.020 . 2 . . . . 609 TYR HB2 . 16174 1 991 . 2 2 9 9 TYR HB3 H 1 3.272 0.020 . 2 . . . . 609 TYR HB3 . 16174 1 992 . 2 2 9 9 TYR HD1 H 1 7.111 0.020 . 1 . . . . 609 TYR HD1 . 16174 1 993 . 2 2 9 9 TYR HD2 H 1 7.111 0.020 . 1 . . . . 609 TYR HD2 . 16174 1 994 . 2 2 9 9 TYR CB C 13 37.849 0.400 . 1 . . . . 609 TYR CB . 16174 1 995 . 2 2 9 9 TYR N N 15 121.504 0.400 . 1 . . . . 609 TYR N . 16174 1 996 . 2 2 10 10 PRO HA H 1 4.288 0.020 . 1 . . . . 610 PRO HA . 16174 1 997 . 2 2 10 10 PRO HB2 H 1 2.228 0.020 . 2 . . . . 610 PRO HB2 . 16174 1 998 . 2 2 10 10 PRO HB3 H 1 1.862 0.020 . 2 . . . . 610 PRO HB3 . 16174 1 999 . 2 2 10 10 PRO HD2 H 1 3.713 0.020 . 2 . . . . 610 PRO HD2 . 16174 1 1000 . 2 2 10 10 PRO HD3 H 1 3.528 0.020 . 2 . . . . 610 PRO HD3 . 16174 1 1001 . 2 2 10 10 PRO HG2 H 1 1.974 0.020 . 2 . . . . 610 PRO HG2 . 16174 1 1002 . 2 2 10 10 PRO HG3 H 1 1.872 0.020 . 2 . . . . 610 PRO HG3 . 16174 1 1003 . 2 2 10 10 PRO CA C 13 64.298 0.400 . 1 . . . . 610 PRO CA . 16174 1 1004 . 2 2 10 10 PRO CB C 13 31.690 0.400 . 1 . . . . 610 PRO CB . 16174 1 1005 . 2 2 10 10 PRO CD C 13 50.572 0.400 . 1 . . . . 610 PRO CD . 16174 1 1006 . 2 2 10 10 PRO CG C 13 27.648 0.400 . 1 . . . . 610 PRO CG . 16174 1 1007 . 2 2 11 11 ALA H H 1 7.978 0.020 . 1 . . . . 611 ALA H . 16174 1 1008 . 2 2 11 11 ALA HA H 1 4.193 0.020 . 1 . . . . 611 ALA HA . 16174 1 1009 . 2 2 11 11 ALA HB1 H 1 1.320 0.020 . 1 . . . . 611 ALA HB . 16174 1 1010 . 2 2 11 11 ALA HB2 H 1 1.320 0.020 . 1 . . . . 611 ALA HB . 16174 1 1011 . 2 2 11 11 ALA HB3 H 1 1.320 0.020 . 1 . . . . 611 ALA HB . 16174 1 1012 . 2 2 11 11 ALA CA C 13 53.077 0.400 . 1 . . . . 611 ALA CA . 16174 1 1013 . 2 2 11 11 ALA CB C 13 18.853 0.400 . 1 . . . . 611 ALA CB . 16174 1 1014 . 2 2 11 11 ALA N N 15 122.040 0.400 . 1 . . . . 611 ALA N . 16174 1 1015 . 2 2 12 12 MET H H 1 8.130 0.020 . 1 . . . . 612 MET H . 16174 1 1016 . 2 2 12 12 MET HA H 1 4.341 0.020 . 1 . . . . 612 MET HA . 16174 1 1017 . 2 2 12 12 MET HB2 H 1 1.449 0.020 . 2 . . . . 612 MET HB2 . 16174 1 1018 . 2 2 12 12 MET HB3 H 1 1.247 0.020 . 2 . . . . 612 MET HB3 . 16174 1 1019 . 2 2 12 12 MET HG2 H 1 2.058 0.020 . 2 . . . . 612 MET HG2 . 16174 1 1020 . 2 2 12 12 MET HG3 H 1 2.058 0.020 . 2 . . . . 612 MET HG3 . 16174 1 1021 . 2 2 12 12 MET CA C 13 56.055 0.400 . 1 . . . . 612 MET CA . 16174 1 1022 . 2 2 12 12 MET CB C 13 32.807 0.400 . 1 . . . . 612 MET CB . 16174 1 1023 . 2 2 12 12 MET N N 15 118.216 0.400 . 1 . . . . 612 MET N . 16174 1 1024 . 2 2 13 13 LEU H H 1 8.033 0.020 . 1 . . . . 613 LEU H . 16174 1 1025 . 2 2 13 13 LEU HA H 1 4.255 0.020 . 1 . . . . 613 LEU HA . 16174 1 1026 . 2 2 13 13 LEU HB2 H 1 1.609 0.020 . 2 . . . . 613 LEU HB2 . 16174 1 1027 . 2 2 13 13 LEU HB3 H 1 1.509 0.020 . 2 . . . . 613 LEU HB3 . 16174 1 1028 . 2 2 13 13 LEU HD11 H 1 0.828 0.020 . 2 . . . . 613 LEU HD1 . 16174 1 1029 . 2 2 13 13 LEU HD12 H 1 0.828 0.020 . 2 . . . . 613 LEU HD1 . 16174 1 1030 . 2 2 13 13 LEU HD13 H 1 0.828 0.020 . 2 . . . . 613 LEU HD1 . 16174 1 1031 . 2 2 13 13 LEU HD21 H 1 0.801 0.020 . 2 . . . . 613 LEU HD2 . 16174 1 1032 . 2 2 13 13 LEU HD22 H 1 0.801 0.020 . 2 . . . . 613 LEU HD2 . 16174 1 1033 . 2 2 13 13 LEU HD23 H 1 0.801 0.020 . 2 . . . . 613 LEU HD2 . 16174 1 1034 . 2 2 13 13 LEU HG H 1 1.563 0.020 . 1 . . . . 613 LEU HG . 16174 1 1035 . 2 2 13 13 LEU CA C 13 55.647 0.400 . 1 . . . . 613 LEU CA . 16174 1 1036 . 2 2 13 13 LEU CB C 13 42.285 0.400 . 1 . . . . 613 LEU CB . 16174 1 1037 . 2 2 13 13 LEU CD1 C 13 25.059 0.400 . 1 . . . . 613 LEU CD1 . 16174 1 1038 . 2 2 13 13 LEU CD2 C 13 23.452 0.400 . 1 . . . . 613 LEU CD2 . 16174 1 1039 . 2 2 13 13 LEU CG C 13 27.072 0.400 . 1 . . . . 613 LEU CG . 16174 1 1040 . 2 2 13 13 LEU N N 15 121.750 0.400 . 1 . . . . 613 LEU N . 16174 1 1041 . 2 2 14 14 GLY H H 1 8.286 0.020 . 1 . . . . 614 GLY H . 16174 1 1042 . 2 2 14 14 GLY HA2 H 1 3.902 0.020 . 2 . . . . 614 GLY HA2 . 16174 1 1043 . 2 2 14 14 GLY HA3 H 1 3.902 0.020 . 2 . . . . 614 GLY HA3 . 16174 1 1044 . 2 2 14 14 GLY CA C 13 45.534 0.400 . 1 . . . . 614 GLY CA . 16174 1 1045 . 2 2 14 14 GLY N N 15 108.891 0.400 . 1 . . . . 614 GLY N . 16174 1 1046 . 2 2 15 15 HIS H H 1 8.086 0.020 . 1 . . . . 615 HIS H . 16174 1 1047 . 2 2 15 15 HIS HA H 1 4.605 0.020 . 1 . . . . 615 HIS HA . 16174 1 1048 . 2 2 15 15 HIS HB2 H 1 3.151 0.020 . 2 . . . . 615 HIS HB2 . 16174 1 1049 . 2 2 15 15 HIS HB3 H 1 3.049 0.020 . 2 . . . . 615 HIS HB3 . 16174 1 1050 . 2 2 15 15 HIS CA C 13 56.361 0.400 . 1 . . . . 615 HIS CA . 16174 1 1051 . 2 2 15 15 HIS CB C 13 30.581 0.400 . 1 . . . . 615 HIS CB . 16174 1 1052 . 2 2 15 15 HIS N N 15 118.839 0.400 . 1 . . . . 615 HIS N . 16174 1 1053 . 2 2 16 16 ALA H H 1 8.321 0.020 . 1 . . . . 616 ALA H . 16174 1 1054 . 2 2 16 16 ALA HA H 1 4.289 0.020 . 1 . . . . 616 ALA HA . 16174 1 1055 . 2 2 16 16 ALA HB1 H 1 1.404 0.020 . 1 . . . . 616 ALA HB . 16174 1 1056 . 2 2 16 16 ALA HB2 H 1 1.404 0.020 . 1 . . . . 616 ALA HB . 16174 1 1057 . 2 2 16 16 ALA HB3 H 1 1.404 0.020 . 1 . . . . 616 ALA HB . 16174 1 1058 . 2 2 16 16 ALA CA C 13 53.335 0.400 . 1 . . . . 616 ALA CA . 16174 1 1059 . 2 2 16 16 ALA CB C 13 18.916 0.400 . 1 . . . . 616 ALA CB . 16174 1 1060 . 2 2 16 16 ALA N N 15 124.222 0.400 . 1 . . . . 616 ALA N . 16174 1 1061 . 2 2 17 17 GLY H H 1 8.415 0.020 . 1 . . . . 617 GLY H . 16174 1 1062 . 2 2 17 17 GLY HA2 H 1 3.947 0.020 . 2 . . . . 617 GLY HA2 . 16174 1 1063 . 2 2 17 17 GLY HA3 H 1 3.947 0.020 . 2 . . . . 617 GLY HA3 . 16174 1 1064 . 2 2 17 17 GLY CA C 13 45.679 0.400 . 1 . . . . 617 GLY CA . 16174 1 1065 . 2 2 17 17 GLY N N 15 107.673 0.400 . 1 . . . . 617 GLY N . 16174 1 1066 . 2 2 18 18 ASP H H 1 8.082 0.020 . 1 . . . . 618 ASP H . 16174 1 1067 . 2 2 18 18 ASP HA H 1 4.279 0.020 . 1 . . . . 618 ASP HA . 16174 1 1068 . 2 2 18 18 ASP HB2 H 1 2.757 0.020 . 2 . . . . 618 ASP HB2 . 16174 1 1069 . 2 2 18 18 ASP HB3 H 1 2.757 0.020 . 2 . . . . 618 ASP HB3 . 16174 1 1070 . 2 2 18 18 ASP CA C 13 54.518 0.400 . 1 . . . . 618 ASP CA . 16174 1 1071 . 2 2 18 18 ASP CB C 13 41.070 0.400 . 1 . . . . 618 ASP CB . 16174 1 1072 . 2 2 18 18 ASP N N 15 120.097 0.400 . 1 . . . . 618 ASP N . 16174 1 1073 . 2 2 19 19 MET H H 1 8.533 0.020 . 1 . . . . 619 MET H . 16174 1 1074 . 2 2 19 19 MET HA H 1 4.491 0.020 . 1 . . . . 619 MET HA . 16174 1 1075 . 2 2 19 19 MET HB2 H 1 2.163 0.020 . 2 . . . . 619 MET HB2 . 16174 1 1076 . 2 2 19 19 MET HB3 H 1 2.163 0.020 . 2 . . . . 619 MET HB3 . 16174 1 1077 . 2 2 19 19 MET HG2 H 1 2.638 0.020 . 2 . . . . 619 MET HG2 . 16174 1 1078 . 2 2 19 19 MET HG3 H 1 2.511 0.020 . 2 . . . . 619 MET HG3 . 16174 1 1079 . 2 2 19 19 MET CA C 13 58.395 0.400 . 1 . . . . 619 MET CA . 16174 1 1080 . 2 2 19 19 MET CB C 13 33.035 0.400 . 1 . . . . 619 MET CB . 16174 1 1081 . 2 2 19 19 MET N N 15 120.430 0.400 . 1 . . . . 619 MET N . 16174 1 1082 . 2 2 20 20 ALA H H 1 8.319 0.020 . 1 . . . . 620 ALA H . 16174 1 1083 . 2 2 20 20 ALA HA H 1 4.273 0.020 . 1 . . . . 620 ALA HA . 16174 1 1084 . 2 2 20 20 ALA HB1 H 1 1.502 0.020 . 1 . . . . 620 ALA HB . 16174 1 1085 . 2 2 20 20 ALA HB2 H 1 1.502 0.020 . 1 . . . . 620 ALA HB . 16174 1 1086 . 2 2 20 20 ALA HB3 H 1 1.502 0.020 . 1 . . . . 620 ALA HB . 16174 1 1087 . 2 2 20 20 ALA CA C 13 54.407 0.400 . 1 . . . . 620 ALA CA . 16174 1 1088 . 2 2 20 20 ALA CB C 13 18.553 0.400 . 1 . . . . 620 ALA CB . 16174 1 1089 . 2 2 20 20 ALA N N 15 122.474 0.400 . 1 . . . . 620 ALA N . 16174 1 1090 . 2 2 21 21 GLY H H 1 8.195 0.020 . 1 . . . . 621 GLY H . 16174 1 1091 . 2 2 21 21 GLY HA2 H 1 3.893 0.020 . 2 . . . . 621 GLY HA2 . 16174 1 1092 . 2 2 21 21 GLY HA3 H 1 3.893 0.020 . 2 . . . . 621 GLY HA3 . 16174 1 1093 . 2 2 21 21 GLY CA C 13 46.370 0.400 . 1 . . . . 621 GLY CA . 16174 1 1094 . 2 2 21 21 GLY N N 15 107.147 0.400 . 1 . . . . 621 GLY N . 16174 1 1095 . 2 2 22 22 TYR H H 1 7.961 0.020 . 1 . . . . 622 TYR H . 16174 1 1096 . 2 2 22 22 TYR CA C 13 62.749 0.400 . 1 . . . . 622 TYR CA . 16174 1 1097 . 2 2 22 22 TYR CB C 13 38.375 0.400 . 1 . . . . 622 TYR CB . 16174 1 1098 . 2 2 22 22 TYR N N 15 119.736 0.400 . 1 . . . . 622 TYR N . 16174 1 1099 . 2 2 23 23 ALA H H 1 8.661 0.020 . 1 . . . . 623 ALA H . 16174 1 1100 . 2 2 23 23 ALA HA H 1 3.843 0.020 . 1 . . . . 623 ALA HA . 16174 1 1101 . 2 2 23 23 ALA HB1 H 1 1.554 0.020 . 1 . . . . 623 ALA HB . 16174 1 1102 . 2 2 23 23 ALA HB2 H 1 1.554 0.020 . 1 . . . . 623 ALA HB . 16174 1 1103 . 2 2 23 23 ALA HB3 H 1 1.554 0.020 . 1 . . . . 623 ALA HB . 16174 1 1104 . 2 2 23 23 ALA CA C 13 56.418 0.400 . 1 . . . . 623 ALA CA . 16174 1 1105 . 2 2 23 23 ALA CB C 13 17.913 0.400 . 1 . . . . 623 ALA CB . 16174 1 1106 . 2 2 23 23 ALA N N 15 121.765 0.400 . 1 . . . . 623 ALA N . 16174 1 1107 . 2 2 24 24 GLY H H 1 8.037 0.020 . 1 . . . . 624 GLY H . 16174 1 1108 . 2 2 24 24 GLY HA2 H 1 3.969 0.020 . 2 . . . . 624 GLY HA2 . 16174 1 1109 . 2 2 24 24 GLY HA3 H 1 3.969 0.020 . 2 . . . . 624 GLY HA3 . 16174 1 1110 . 2 2 24 24 GLY CA C 13 47.114 0.400 . 1 . . . . 624 GLY CA . 16174 1 1111 . 2 2 24 24 GLY N N 15 104.181 0.400 . 1 . . . . 624 GLY N . 16174 1 1112 . 2 2 25 25 THR H H 1 7.986 0.020 . 1 . . . . 625 THR H . 16174 1 1113 . 2 2 25 25 THR HA H 1 4.034 0.020 . 1 . . . . 625 THR HA . 16174 1 1114 . 2 2 25 25 THR HB H 1 4.142 0.020 . 1 . . . . 625 THR HB . 16174 1 1115 . 2 2 25 25 THR HG21 H 1 1.280 0.020 . 1 . . . . 625 THR HG2 . 16174 1 1116 . 2 2 25 25 THR HG22 H 1 1.280 0.020 . 1 . . . . 625 THR HG2 . 16174 1 1117 . 2 2 25 25 THR HG23 H 1 1.280 0.020 . 1 . . . . 625 THR HG2 . 16174 1 1118 . 2 2 25 25 THR CA C 13 66.773 0.400 . 1 . . . . 625 THR CA . 16174 1 1119 . 2 2 25 25 THR CB C 13 68.496 0.400 . 1 . . . . 625 THR CB . 16174 1 1120 . 2 2 25 25 THR CG2 C 13 22.310 0.400 . 1 . . . . 625 THR CG2 . 16174 1 1121 . 2 2 25 25 THR N N 15 120.829 0.400 . 1 . . . . 625 THR N . 16174 1 1122 . 2 2 26 26 LEU H H 1 8.627 0.020 . 1 . . . . 626 LEU H . 16174 1 1123 . 2 2 26 26 LEU HA H 1 3.868 0.020 . 1 . . . . 626 LEU HA . 16174 1 1124 . 2 2 26 26 LEU HB2 H 1 2.014 0.020 . 2 . . . . 626 LEU HB2 . 16174 1 1125 . 2 2 26 26 LEU HB3 H 1 2.014 0.020 . 2 . . . . 626 LEU HB3 . 16174 1 1126 . 2 2 26 26 LEU HD11 H 1 0.754 0.020 . 2 . . . . 626 LEU HD1 . 16174 1 1127 . 2 2 26 26 LEU HD12 H 1 0.754 0.020 . 2 . . . . 626 LEU HD1 . 16174 1 1128 . 2 2 26 26 LEU HD13 H 1 0.754 0.020 . 2 . . . . 626 LEU HD1 . 16174 1 1129 . 2 2 26 26 LEU HD21 H 1 0.416 0.020 . 2 . . . . 626 LEU HD2 . 16174 1 1130 . 2 2 26 26 LEU HD22 H 1 0.416 0.020 . 2 . . . . 626 LEU HD2 . 16174 1 1131 . 2 2 26 26 LEU HD23 H 1 0.416 0.020 . 2 . . . . 626 LEU HD2 . 16174 1 1132 . 2 2 26 26 LEU HG H 1 1.750 0.020 . 1 . . . . 626 LEU HG . 16174 1 1133 . 2 2 26 26 LEU CA C 13 58.624 0.400 . 1 . . . . 626 LEU CA . 16174 1 1134 . 2 2 26 26 LEU CB C 13 42.262 0.400 . 1 . . . . 626 LEU CB . 16174 1 1135 . 2 2 26 26 LEU CD1 C 13 24.635 0.400 . 1 . . . . 626 LEU CD1 . 16174 1 1136 . 2 2 26 26 LEU CD2 C 13 24.554 0.400 . 1 . . . . 626 LEU CD2 . 16174 1 1137 . 2 2 26 26 LEU CG C 13 26.761 0.400 . 1 . . . . 626 LEU CG . 16174 1 1138 . 2 2 26 26 LEU N N 15 120.553 0.400 . 1 . . . . 626 LEU N . 16174 1 1139 . 2 2 27 27 GLN H H 1 7.985 0.020 . 1 . . . . 627 GLN H . 16174 1 1140 . 2 2 27 27 GLN HA H 1 3.829 0.020 . 1 . . . . 627 GLN HA . 16174 1 1141 . 2 2 27 27 GLN HB2 H 1 2.261 0.020 . 2 . . . . 627 GLN HB2 . 16174 1 1142 . 2 2 27 27 GLN HB3 H 1 2.261 0.020 . 2 . . . . 627 GLN HB3 . 16174 1 1143 . 2 2 27 27 GLN HG2 H 1 2.422 0.020 . 2 . . . . 627 GLN HG2 . 16174 1 1144 . 2 2 27 27 GLN HG3 H 1 2.381 0.020 . 2 . . . . 627 GLN HG3 . 16174 1 1145 . 2 2 27 27 GLN CA C 13 59.613 0.400 . 1 . . . . 627 GLN CA . 16174 1 1146 . 2 2 27 27 GLN CB C 13 29.147 0.400 . 1 . . . . 627 GLN CB . 16174 1 1147 . 2 2 27 27 GLN CG C 13 33.775 0.400 . 1 . . . . 627 GLN CG . 16174 1 1148 . 2 2 27 27 GLN N N 15 116.939 0.400 . 1 . . . . 627 GLN N . 16174 1 1149 . 2 2 28 28 SER H H 1 8.438 0.020 . 1 . . . . 628 SER H . 16174 1 1150 . 2 2 28 28 SER HA H 1 4.313 0.020 . 1 . . . . 628 SER HA . 16174 1 1151 . 2 2 28 28 SER HB2 H 1 4.053 0.020 . 2 . . . . 628 SER HB2 . 16174 1 1152 . 2 2 28 28 SER HB3 H 1 4.053 0.020 . 2 . . . . 628 SER HB3 . 16174 1 1153 . 2 2 28 28 SER CA C 13 61.926 0.400 . 1 . . . . 628 SER CA . 16174 1 1154 . 2 2 28 28 SER CB C 13 62.764 0.400 . 1 . . . . 628 SER CB . 16174 1 1155 . 2 2 28 28 SER N N 15 116.004 0.400 . 1 . . . . 628 SER N . 16174 1 1156 . 2 2 29 29 LEU H H 1 8.771 0.020 . 1 . . . . 629 LEU H . 16174 1 1157 . 2 2 29 29 LEU HA H 1 4.314 0.020 . 1 . . . . 629 LEU HA . 16174 1 1158 . 2 2 29 29 LEU HB2 H 1 1.922 0.020 . 2 . . . . 629 LEU HB2 . 16174 1 1159 . 2 2 29 29 LEU HB3 H 1 1.682 0.020 . 2 . . . . 629 LEU HB3 . 16174 1 1160 . 2 2 29 29 LEU HD11 H 1 0.946 0.020 . 2 . . . . 629 LEU HD1 . 16174 1 1161 . 2 2 29 29 LEU HD12 H 1 0.946 0.020 . 2 . . . . 629 LEU HD1 . 16174 1 1162 . 2 2 29 29 LEU HD13 H 1 0.946 0.020 . 2 . . . . 629 LEU HD1 . 16174 1 1163 . 2 2 29 29 LEU HD21 H 1 0.946 0.020 . 2 . . . . 629 LEU HD2 . 16174 1 1164 . 2 2 29 29 LEU HD22 H 1 0.946 0.020 . 2 . . . . 629 LEU HD2 . 16174 1 1165 . 2 2 29 29 LEU HD23 H 1 0.946 0.020 . 2 . . . . 629 LEU HD2 . 16174 1 1166 . 2 2 29 29 LEU HG H 1 1.843 0.020 . 1 . . . . 629 LEU HG . 16174 1 1167 . 2 2 29 29 LEU CA C 13 57.939 0.400 . 1 . . . . 629 LEU CA . 16174 1 1168 . 2 2 29 29 LEU CB C 13 42.622 0.400 . 1 . . . . 629 LEU CB . 16174 1 1169 . 2 2 29 29 LEU CD1 C 13 24.643 0.400 . 1 . . . . 629 LEU CD1 . 16174 1 1170 . 2 2 29 29 LEU CG C 13 27.600 0.400 . 1 . . . . 629 LEU CG . 16174 1 1171 . 2 2 29 29 LEU N N 15 123.782 0.400 . 1 . . . . 629 LEU N . 16174 1 1172 . 2 2 30 30 GLY H H 1 8.676 0.020 . 1 . . . . 630 GLY H . 16174 1 1173 . 2 2 30 30 GLY HA2 H 1 4.221 0.020 . 2 . . . . 630 GLY HA2 . 16174 1 1174 . 2 2 30 30 GLY HA3 H 1 4.221 0.020 . 2 . . . . 630 GLY HA3 . 16174 1 1175 . 2 2 30 30 GLY CA C 13 48.094 0.400 . 1 . . . . 630 GLY CA . 16174 1 1176 . 2 2 30 30 GLY N N 15 106.701 0.400 . 1 . . . . 630 GLY N . 16174 1 1177 . 2 2 31 31 ALA H H 1 7.927 0.020 . 1 . . . . 631 ALA H . 16174 1 1178 . 2 2 31 31 ALA HA H 1 4.550 0.020 . 1 . . . . 631 ALA HA . 16174 1 1179 . 2 2 31 31 ALA HB1 H 1 1.693 0.020 . 1 . . . . 631 ALA HB . 16174 1 1180 . 2 2 31 31 ALA HB2 H 1 1.693 0.020 . 1 . . . . 631 ALA HB . 16174 1 1181 . 2 2 31 31 ALA HB3 H 1 1.693 0.020 . 1 . . . . 631 ALA HB . 16174 1 1182 . 2 2 31 31 ALA CA C 13 55.013 0.400 . 1 . . . . 631 ALA CA . 16174 1 1183 . 2 2 31 31 ALA CB C 13 17.977 0.400 . 1 . . . . 631 ALA CB . 16174 1 1184 . 2 2 31 31 ALA N N 15 125.586 0.400 . 1 . . . . 631 ALA N . 16174 1 1185 . 2 2 32 32 GLU H H 1 8.329 0.020 . 1 . . . . 632 GLU H . 16174 1 1186 . 2 2 32 32 GLU HA H 1 4.125 0.020 . 1 . . . . 632 GLU HA . 16174 1 1187 . 2 2 32 32 GLU HB2 H 1 2.390 0.020 . 2 . . . . 632 GLU HB2 . 16174 1 1188 . 2 2 32 32 GLU HB3 H 1 2.073 0.020 . 2 . . . . 632 GLU HB3 . 16174 1 1189 . 2 2 32 32 GLU HG2 H 1 2.665 0.020 . 2 . . . . 632 GLU HG2 . 16174 1 1190 . 2 2 32 32 GLU HG3 H 1 2.287 0.020 . 2 . . . . 632 GLU HG3 . 16174 1 1191 . 2 2 32 32 GLU CA C 13 59.911 0.400 . 1 . . . . 632 GLU CA . 16174 1 1192 . 2 2 32 32 GLU CB C 13 30.149 0.400 . 1 . . . . 632 GLU CB . 16174 1 1193 . 2 2 32 32 GLU CG C 13 36.871 0.400 . 1 . . . . 632 GLU CG . 16174 1 1194 . 2 2 32 32 GLU N N 15 119.509 0.400 . 1 . . . . 632 GLU N . 16174 1 1195 . 2 2 33 33 ILE H H 1 8.611 0.020 . 1 . . . . 633 ILE H . 16174 1 1196 . 2 2 33 33 ILE HA H 1 3.460 0.020 . 1 . . . . 633 ILE HA . 16174 1 1197 . 2 2 33 33 ILE HB H 1 2.155 0.020 . 1 . . . . 633 ILE HB . 16174 1 1198 . 2 2 33 33 ILE HD11 H 1 0.857 0.020 . 1 . . . . 633 ILE HD1 . 16174 1 1199 . 2 2 33 33 ILE HD12 H 1 0.857 0.020 . 1 . . . . 633 ILE HD1 . 16174 1 1200 . 2 2 33 33 ILE HD13 H 1 0.857 0.020 . 1 . . . . 633 ILE HD1 . 16174 1 1201 . 2 2 33 33 ILE HG12 H 1 1.852 0.020 . 2 . . . . 633 ILE HG12 . 16174 1 1202 . 2 2 33 33 ILE HG13 H 1 0.655 0.020 . 2 . . . . 633 ILE HG13 . 16174 1 1203 . 2 2 33 33 ILE HG21 H 1 0.342 0.020 . 1 . . . . 633 ILE HG2 . 16174 1 1204 . 2 2 33 33 ILE HG22 H 1 0.342 0.020 . 1 . . . . 633 ILE HG2 . 16174 1 1205 . 2 2 33 33 ILE HG23 H 1 0.342 0.020 . 1 . . . . 633 ILE HG2 . 16174 1 1206 . 2 2 33 33 ILE CA C 13 66.149 0.400 . 1 . . . . 633 ILE CA . 16174 1 1207 . 2 2 33 33 ILE CB C 13 37.549 0.400 . 1 . . . . 633 ILE CB . 16174 1 1208 . 2 2 33 33 ILE CD1 C 13 13.707 0.400 . 1 . . . . 633 ILE CD1 . 16174 1 1209 . 2 2 33 33 ILE CG1 C 13 32.123 0.400 . 1 . . . . 633 ILE CG1 . 16174 1 1210 . 2 2 33 33 ILE CG2 C 13 17.226 0.400 . 1 . . . . 633 ILE CG2 . 16174 1 1211 . 2 2 33 33 ILE N N 15 120.563 0.400 . 1 . . . . 633 ILE N . 16174 1 1212 . 2 2 34 34 ALA H H 1 7.822 0.020 . 1 . . . . 634 ALA H . 16174 1 1213 . 2 2 34 34 ALA HA H 1 4.173 0.020 . 1 . . . . 634 ALA HA . 16174 1 1214 . 2 2 34 34 ALA HB1 H 1 1.956 0.020 . 1 . . . . 634 ALA HB . 16174 1 1215 . 2 2 34 34 ALA HB2 H 1 1.956 0.020 . 1 . . . . 634 ALA HB . 16174 1 1216 . 2 2 34 34 ALA HB3 H 1 1.956 0.020 . 1 . . . . 634 ALA HB . 16174 1 1217 . 2 2 34 34 ALA CA C 13 55.930 0.400 . 1 . . . . 634 ALA CA . 16174 1 1218 . 2 2 34 34 ALA CB C 13 18.486 0.400 . 1 . . . . 634 ALA CB . 16174 1 1219 . 2 2 34 34 ALA N N 15 122.169 0.400 . 1 . . . . 634 ALA N . 16174 1 1220 . 2 2 35 35 VAL H H 1 8.069 0.020 . 1 . . . . 635 VAL H . 16174 1 1221 . 2 2 35 35 VAL HA H 1 3.826 0.020 . 1 . . . . 635 VAL HA . 16174 1 1222 . 2 2 35 35 VAL HB H 1 2.308 0.020 . 1 . . . . 635 VAL HB . 16174 1 1223 . 2 2 35 35 VAL HG11 H 1 1.180 0.020 . 2 . . . . 635 VAL HG1 . 16174 1 1224 . 2 2 35 35 VAL HG12 H 1 1.180 0.020 . 2 . . . . 635 VAL HG1 . 16174 1 1225 . 2 2 35 35 VAL HG13 H 1 1.180 0.020 . 2 . . . . 635 VAL HG1 . 16174 1 1226 . 2 2 35 35 VAL HG21 H 1 1.016 0.020 . 2 . . . . 635 VAL HG2 . 16174 1 1227 . 2 2 35 35 VAL HG22 H 1 1.016 0.020 . 2 . . . . 635 VAL HG2 . 16174 1 1228 . 2 2 35 35 VAL HG23 H 1 1.016 0.020 . 2 . . . . 635 VAL HG2 . 16174 1 1229 . 2 2 35 35 VAL CA C 13 66.382 0.400 . 1 . . . . 635 VAL CA . 16174 1 1230 . 2 2 35 35 VAL CB C 13 31.895 0.400 . 1 . . . . 635 VAL CB . 16174 1 1231 . 2 2 35 35 VAL CG1 C 13 22.951 0.400 . 1 . . . . 635 VAL CG1 . 16174 1 1232 . 2 2 35 35 VAL CG2 C 13 21.348 0.400 . 1 . . . . 635 VAL CG2 . 16174 1 1233 . 2 2 35 35 VAL N N 15 119.151 0.400 . 1 . . . . 635 VAL N . 16174 1 1234 . 2 2 36 36 GLU H H 1 8.130 0.020 . 1 . . . . 636 GLU H . 16174 1 1235 . 2 2 36 36 GLU HA H 1 4.231 0.020 . 1 . . . . 636 GLU HA . 16174 1 1236 . 2 2 36 36 GLU HB2 H 1 2.212 0.020 . 2 . . . . 636 GLU HB2 . 16174 1 1237 . 2 2 36 36 GLU HB3 H 1 2.212 0.020 . 2 . . . . 636 GLU HB3 . 16174 1 1238 . 2 2 36 36 GLU HG2 H 1 2.424 0.020 . 2 . . . . 636 GLU HG2 . 16174 1 1239 . 2 2 36 36 GLU HG3 H 1 2.225 0.020 . 2 . . . . 636 GLU HG3 . 16174 1 1240 . 2 2 36 36 GLU CA C 13 58.753 0.400 . 1 . . . . 636 GLU CA . 16174 1 1241 . 2 2 36 36 GLU CB C 13 29.372 0.400 . 1 . . . . 636 GLU CB . 16174 1 1242 . 2 2 36 36 GLU CG C 13 35.928 0.400 . 1 . . . . 636 GLU CG . 16174 1 1243 . 2 2 36 36 GLU N N 15 120.778 0.400 . 1 . . . . 636 GLU N . 16174 1 1244 . 2 2 37 37 GLN H H 1 8.604 0.020 . 1 . . . . 637 GLN H . 16174 1 1245 . 2 2 37 37 GLN HA H 1 3.517 0.020 . 1 . . . . 637 GLN HA . 16174 1 1246 . 2 2 37 37 GLN HB2 H 1 1.687 0.020 . 2 . . . . 637 GLN HB2 . 16174 1 1247 . 2 2 37 37 GLN HB3 H 1 1.486 0.020 . 2 . . . . 637 GLN HB3 . 16174 1 1248 . 2 2 37 37 GLN HE21 H 1 7.703 0.020 . 2 . . . . 637 GLN HE21 . 16174 1 1249 . 2 2 37 37 GLN HE22 H 1 7.034 0.020 . 2 . . . . 637 GLN HE22 . 16174 1 1250 . 2 2 37 37 GLN HG2 H 1 2.218 0.020 . 2 . . . . 637 GLN HG2 . 16174 1 1251 . 2 2 37 37 GLN HG3 H 1 2.218 0.020 . 2 . . . . 637 GLN HG3 . 16174 1 1252 . 2 2 37 37 GLN CA C 13 60.322 0.400 . 1 . . . . 637 GLN CA . 16174 1 1253 . 2 2 37 37 GLN CB C 13 25.822 0.400 . 1 . . . . 637 GLN CB . 16174 1 1254 . 2 2 37 37 GLN N N 15 118.460 0.400 . 1 . . . . 637 GLN N . 16174 1 1255 . 2 2 37 37 GLN NE2 N 15 110.609 0.400 . 1 . . . . 637 GLN NE2 . 16174 1 1256 . 2 2 38 38 ALA H H 1 7.826 0.020 . 1 . . . . 638 ALA H . 16174 1 1257 . 2 2 38 38 ALA HA H 1 4.128 0.020 . 1 . . . . 638 ALA HA . 16174 1 1258 . 2 2 38 38 ALA HB1 H 1 1.548 0.020 . 1 . . . . 638 ALA HB . 16174 1 1259 . 2 2 38 38 ALA HB2 H 1 1.548 0.020 . 1 . . . . 638 ALA HB . 16174 1 1260 . 2 2 38 38 ALA HB3 H 1 1.548 0.020 . 1 . . . . 638 ALA HB . 16174 1 1261 . 2 2 38 38 ALA CA C 13 54.523 0.400 . 1 . . . . 638 ALA CA . 16174 1 1262 . 2 2 38 38 ALA CB C 13 17.621 0.400 . 1 . . . . 638 ALA CB . 16174 1 1263 . 2 2 38 38 ALA N N 15 119.995 0.400 . 1 . . . . 638 ALA N . 16174 1 1264 . 2 2 39 39 ALA H H 1 7.708 0.020 . 1 . . . . 639 ALA H . 16174 1 1265 . 2 2 39 39 ALA HA H 1 4.299 0.020 . 1 . . . . 639 ALA HA . 16174 1 1266 . 2 2 39 39 ALA HB1 H 1 1.583 0.020 . 1 . . . . 639 ALA HB . 16174 1 1267 . 2 2 39 39 ALA HB2 H 1 1.583 0.020 . 1 . . . . 639 ALA HB . 16174 1 1268 . 2 2 39 39 ALA HB3 H 1 1.583 0.020 . 1 . . . . 639 ALA HB . 16174 1 1269 . 2 2 39 39 ALA CA C 13 53.816 0.400 . 1 . . . . 639 ALA CA . 16174 1 1270 . 2 2 39 39 ALA CB C 13 18.290 0.400 . 1 . . . . 639 ALA CB . 16174 1 1271 . 2 2 39 39 ALA N N 15 120.635 0.400 . 1 . . . . 639 ALA N . 16174 1 1272 . 2 2 40 40 LEU H H 1 7.497 0.020 . 1 . . . . 640 LEU H . 16174 1 1273 . 2 2 40 40 LEU HA H 1 4.504 0.020 . 1 . . . . 640 LEU HA . 16174 1 1274 . 2 2 40 40 LEU HD11 H 1 0.777 0.020 . 2 . . . . 640 LEU HD1 . 16174 1 1275 . 2 2 40 40 LEU HD12 H 1 0.777 0.020 . 2 . . . . 640 LEU HD1 . 16174 1 1276 . 2 2 40 40 LEU HD13 H 1 0.777 0.020 . 2 . . . . 640 LEU HD1 . 16174 1 1277 . 2 2 40 40 LEU HD21 H 1 0.716 0.020 . 2 . . . . 640 LEU HD2 . 16174 1 1278 . 2 2 40 40 LEU HD22 H 1 0.716 0.020 . 2 . . . . 640 LEU HD2 . 16174 1 1279 . 2 2 40 40 LEU HD23 H 1 0.716 0.020 . 2 . . . . 640 LEU HD2 . 16174 1 1280 . 2 2 40 40 LEU HG H 1 1.746 0.020 . 1 . . . . 640 LEU HG . 16174 1 1281 . 2 2 40 40 LEU CA C 13 54.317 0.400 . 1 . . . . 640 LEU CA . 16174 1 1282 . 2 2 40 40 LEU CB C 13 42.104 0.400 . 1 . . . . 640 LEU CB . 16174 1 1283 . 2 2 40 40 LEU CD1 C 13 22.874 0.400 . 1 . . . . 640 LEU CD1 . 16174 1 1284 . 2 2 40 40 LEU CD2 C 13 26.345 0.400 . 1 . . . . 640 LEU CD2 . 16174 1 1285 . 2 2 40 40 LEU CG C 13 26.350 0.400 . 1 . . . . 640 LEU CG . 16174 1 1286 . 2 2 40 40 LEU N N 15 118.946 0.400 . 1 . . . . 640 LEU N . 16174 1 1287 . 2 2 41 41 GLN H H 1 7.218 0.020 . 1 . . . . 641 GLN H . 16174 1 1288 . 2 2 41 41 GLN HA H 1 3.381 0.020 . 1 . . . . 641 GLN HA . 16174 1 1289 . 2 2 41 41 GLN HB2 H 1 1.526 0.020 . 2 . . . . 641 GLN HB2 . 16174 1 1290 . 2 2 41 41 GLN HB3 H 1 1.433 0.020 . 2 . . . . 641 GLN HB3 . 16174 1 1291 . 2 2 41 41 GLN HE21 H 1 7.174 0.020 . 2 . . . . 641 GLN HE21 . 16174 1 1292 . 2 2 41 41 GLN HE22 H 1 6.619 0.020 . 2 . . . . 641 GLN HE22 . 16174 1 1293 . 2 2 41 41 GLN HG2 H 1 1.826 0.020 . 2 . . . . 641 GLN HG2 . 16174 1 1294 . 2 2 41 41 GLN HG3 H 1 1.413 0.020 . 2 . . . . 641 GLN HG3 . 16174 1 1295 . 2 2 41 41 GLN CA C 13 60.100 0.400 . 1 . . . . 641 GLN CA . 16174 1 1296 . 2 2 41 41 GLN CB C 13 27.890 0.400 . 1 . . . . 641 GLN CB . 16174 1 1297 . 2 2 41 41 GLN CG C 13 32.900 0.400 . 1 . . . . 641 GLN CG . 16174 1 1298 . 2 2 41 41 GLN N N 15 119.947 0.400 . 1 . . . . 641 GLN N . 16174 1 1299 . 2 2 41 41 GLN NE2 N 15 109.940 0.400 . 1 . . . . 641 GLN NE2 . 16174 1 1300 . 2 2 42 42 SER H H 1 8.560 0.020 . 1 . . . . 642 SER H . 16174 1 1301 . 2 2 42 42 SER HA H 1 4.170 0.020 . 1 . . . . 642 SER HA . 16174 1 1302 . 2 2 42 42 SER HB2 H 1 3.898 0.020 . 2 . . . . 642 SER HB2 . 16174 1 1303 . 2 2 42 42 SER HB3 H 1 3.862 0.020 . 2 . . . . 642 SER HB3 . 16174 1 1304 . 2 2 42 42 SER CA C 13 60.583 0.400 . 1 . . . . 642 SER CA . 16174 1 1305 . 2 2 42 42 SER CB C 13 62.734 0.400 . 1 . . . . 642 SER CB . 16174 1 1306 . 2 2 42 42 SER N N 15 112.949 0.400 . 1 . . . . 642 SER N . 16174 1 1307 . 2 2 43 43 ALA H H 1 7.753 0.020 . 1 . . . . 643 ALA H . 16174 1 1308 . 2 2 43 43 ALA HA H 1 4.442 0.020 . 1 . . . . 643 ALA HA . 16174 1 1309 . 2 2 43 43 ALA HB1 H 1 1.422 0.020 . 1 . . . . 643 ALA HB . 16174 1 1310 . 2 2 43 43 ALA HB2 H 1 1.422 0.020 . 1 . . . . 643 ALA HB . 16174 1 1311 . 2 2 43 43 ALA HB3 H 1 1.422 0.020 . 1 . . . . 643 ALA HB . 16174 1 1312 . 2 2 43 43 ALA CA C 13 51.696 0.400 . 1 . . . . 643 ALA CA . 16174 1 1313 . 2 2 43 43 ALA CB C 13 19.762 0.400 . 1 . . . . 643 ALA CB . 16174 1 1314 . 2 2 43 43 ALA N N 15 123.409 0.400 . 1 . . . . 643 ALA N . 16174 1 1315 . 2 2 44 44 TRP H H 1 7.418 0.020 . 1 . . . . 644 TRP H . 16174 1 1316 . 2 2 44 44 TRP HA H 1 4.154 0.020 . 1 . . . . 644 TRP HA . 16174 1 1317 . 2 2 44 44 TRP HB2 H 1 3.457 0.020 . 2 . . . . 644 TRP HB2 . 16174 1 1318 . 2 2 44 44 TRP HB3 H 1 3.085 0.020 . 2 . . . . 644 TRP HB3 . 16174 1 1319 . 2 2 44 44 TRP HD1 H 1 7.225 0.020 . 1 . . . . 644 TRP HD1 . 16174 1 1320 . 2 2 44 44 TRP HE1 H 1 10.350 0.020 . 1 . . . . 644 TRP HE1 . 16174 1 1321 . 2 2 44 44 TRP HE3 H 1 7.326 0.020 . 1 . . . . 644 TRP HE3 . 16174 1 1322 . 2 2 44 44 TRP HH2 H 1 5.872 0.020 . 1 . . . . 644 TRP HH2 . 16174 1 1323 . 2 2 44 44 TRP HZ2 H 1 6.956 0.020 . 1 . . . . 644 TRP HZ2 . 16174 1 1324 . 2 2 44 44 TRP HZ3 H 1 6.145 0.020 . 1 . . . . 644 TRP HZ3 . 16174 1 1325 . 2 2 44 44 TRP CA C 13 58.078 0.400 . 1 . . . . 644 TRP CA . 16174 1 1326 . 2 2 44 44 TRP CB C 13 28.435 0.400 . 1 . . . . 644 TRP CB . 16174 1 1327 . 2 2 44 44 TRP N N 15 120.747 0.400 . 1 . . . . 644 TRP N . 16174 1 1328 . 2 2 44 44 TRP NE1 N 15 130.569 0.400 . 1 . . . . 644 TRP NE1 . 16174 1 1329 . 2 2 45 45 GLN H H 1 8.582 0.020 . 1 . . . . 645 GLN H . 16174 1 1330 . 2 2 45 45 GLN HA H 1 4.310 0.020 . 1 . . . . 645 GLN HA . 16174 1 1331 . 2 2 45 45 GLN HB2 H 1 2.141 0.020 . 2 . . . . 645 GLN HB2 . 16174 1 1332 . 2 2 45 45 GLN HB3 H 1 1.939 0.020 . 2 . . . . 645 GLN HB3 . 16174 1 1333 . 2 2 45 45 GLN HE21 H 1 7.407 0.020 . 2 . . . . 645 GLN HE21 . 16174 1 1334 . 2 2 45 45 GLN HE22 H 1 6.740 0.020 . 2 . . . . 645 GLN HE22 . 16174 1 1335 . 2 2 45 45 GLN HG2 H 1 2.393 0.020 . 2 . . . . 645 GLN HG2 . 16174 1 1336 . 2 2 45 45 GLN HG3 H 1 2.393 0.020 . 2 . . . . 645 GLN HG3 . 16174 1 1337 . 2 2 45 45 GLN CA C 13 57.104 0.400 . 1 . . . . 645 GLN CA . 16174 1 1338 . 2 2 45 45 GLN CB C 13 29.426 0.400 . 1 . . . . 645 GLN CB . 16174 1 1339 . 2 2 45 45 GLN N N 15 128.465 0.400 . 1 . . . . 645 GLN N . 16174 1 1340 . 2 2 45 45 GLN NE2 N 15 112.271 0.400 . 1 . . . . 645 GLN NE2 . 16174 1 1341 . 2 2 46 46 GLY H H 1 8.138 0.020 . 1 . . . . 646 GLY H . 16174 1 1342 . 2 2 46 46 GLY HA2 H 1 4.042 0.020 . 2 . . . . 646 GLY HA2 . 16174 1 1343 . 2 2 46 46 GLY HA3 H 1 4.180 0.020 . 2 . . . . 646 GLY HA3 . 16174 1 1344 . 2 2 46 46 GLY CA C 13 46.296 0.400 . 1 . . . . 646 GLY CA . 16174 1 1345 . 2 2 46 46 GLY N N 15 108.193 0.400 . 1 . . . . 646 GLY N . 16174 1 1346 . 2 2 47 47 ASP H H 1 8.393 0.020 . 1 . . . . 647 ASP H . 16174 1 1347 . 2 2 47 47 ASP HA H 1 4.692 0.020 . 1 . . . . 647 ASP HA . 16174 1 1348 . 2 2 47 47 ASP HB2 H 1 2.714 0.020 . 2 . . . . 647 ASP HB2 . 16174 1 1349 . 2 2 47 47 ASP HB3 H 1 2.714 0.020 . 2 . . . . 647 ASP HB3 . 16174 1 1350 . 2 2 47 47 ASP CA C 13 55.089 0.400 . 1 . . . . 647 ASP CA . 16174 1 1351 . 2 2 47 47 ASP CB C 13 40.511 0.400 . 1 . . . . 647 ASP CB . 16174 1 1352 . 2 2 47 47 ASP N N 15 119.354 0.400 . 1 . . . . 647 ASP N . 16174 1 1353 . 2 2 48 48 THR H H 1 8.072 0.020 . 1 . . . . 648 THR H . 16174 1 1354 . 2 2 48 48 THR HA H 1 4.430 0.020 . 1 . . . . 648 THR HA . 16174 1 1355 . 2 2 48 48 THR HB H 1 4.415 0.020 . 1 . . . . 648 THR HB . 16174 1 1356 . 2 2 48 48 THR HG21 H 1 1.131 0.020 . 1 . . . . 648 THR HG2 . 16174 1 1357 . 2 2 48 48 THR HG22 H 1 1.131 0.020 . 1 . . . . 648 THR HG2 . 16174 1 1358 . 2 2 48 48 THR HG23 H 1 1.131 0.020 . 1 . . . . 648 THR HG2 . 16174 1 1359 . 2 2 48 48 THR CA C 13 61.850 0.400 . 1 . . . . 648 THR CA . 16174 1 1360 . 2 2 48 48 THR CB C 13 69.629 0.400 . 1 . . . . 648 THR CB . 16174 1 1361 . 2 2 48 48 THR CG2 C 13 21.468 0.400 . 1 . . . . 648 THR CG2 . 16174 1 1362 . 2 2 48 48 THR N N 15 110.668 0.400 . 1 . . . . 648 THR N . 16174 1 1363 . 2 2 49 49 GLY H H 1 8.282 0.020 . 1 . . . . 649 GLY H . 16174 1 1364 . 2 2 49 49 GLY HA2 H 1 3.803 0.020 . 2 . . . . 649 GLY HA2 . 16174 1 1365 . 2 2 49 49 GLY HA3 H 1 4.294 0.020 . 2 . . . . 649 GLY HA3 . 16174 1 1366 . 2 2 49 49 GLY CA C 13 45.787 0.400 . 1 . . . . 649 GLY CA . 16174 1 1367 . 2 2 49 49 GLY N N 15 109.895 0.400 . 1 . . . . 649 GLY N . 16174 1 1368 . 2 2 50 50 ILE H H 1 7.779 0.020 . 1 . . . . 650 ILE H . 16174 1 1369 . 2 2 50 50 ILE HA H 1 4.582 0.020 . 1 . . . . 650 ILE HA . 16174 1 1370 . 2 2 50 50 ILE HB H 1 2.037 0.020 . 1 . . . . 650 ILE HB . 16174 1 1371 . 2 2 50 50 ILE HD11 H 1 0.980 0.020 . 1 . . . . 650 ILE HD1 . 16174 1 1372 . 2 2 50 50 ILE HD12 H 1 0.980 0.020 . 1 . . . . 650 ILE HD1 . 16174 1 1373 . 2 2 50 50 ILE HD13 H 1 0.980 0.020 . 1 . . . . 650 ILE HD1 . 16174 1 1374 . 2 2 50 50 ILE HG12 H 1 1.705 0.020 . 2 . . . . 650 ILE HG12 . 16174 1 1375 . 2 2 50 50 ILE HG13 H 1 1.426 0.020 . 2 . . . . 650 ILE HG13 . 16174 1 1376 . 2 2 50 50 ILE HG21 H 1 1.204 0.020 . 1 . . . . 650 ILE HG2 . 16174 1 1377 . 2 2 50 50 ILE HG22 H 1 1.204 0.020 . 1 . . . . 650 ILE HG2 . 16174 1 1378 . 2 2 50 50 ILE HG23 H 1 1.204 0.020 . 1 . . . . 650 ILE HG2 . 16174 1 1379 . 2 2 50 50 ILE CA C 13 60.228 0.400 . 1 . . . . 650 ILE CA . 16174 1 1380 . 2 2 50 50 ILE CB C 13 39.468 0.400 . 1 . . . . 650 ILE CB . 16174 1 1381 . 2 2 50 50 ILE CD1 C 13 13.336 0.400 . 1 . . . . 650 ILE CD1 . 16174 1 1382 . 2 2 50 50 ILE CG1 C 13 28.006 0.400 . 1 . . . . 650 ILE CG1 . 16174 1 1383 . 2 2 50 50 ILE CG2 C 13 17.381 0.400 . 1 . . . . 650 ILE CG2 . 16174 1 1384 . 2 2 50 50 ILE N N 15 120.456 0.400 . 1 . . . . 650 ILE N . 16174 1 1385 . 2 2 51 51 THR H H 1 8.123 0.020 . 1 . . . . 651 THR H . 16174 1 1386 . 2 2 51 51 THR HA H 1 4.586 0.020 . 1 . . . . 651 THR HA . 16174 1 1387 . 2 2 51 51 THR HB H 1 4.740 0.020 . 1 . . . . 651 THR HB . 16174 1 1388 . 2 2 51 51 THR HG21 H 1 1.408 0.020 . 1 . . . . 651 THR HG2 . 16174 1 1389 . 2 2 51 51 THR HG22 H 1 1.408 0.020 . 1 . . . . 651 THR HG2 . 16174 1 1390 . 2 2 51 51 THR HG23 H 1 1.408 0.020 . 1 . . . . 651 THR HG2 . 16174 1 1391 . 2 2 51 51 THR CA C 13 61.280 0.400 . 1 . . . . 651 THR CA . 16174 1 1392 . 2 2 51 51 THR CB C 13 71.283 0.400 . 1 . . . . 651 THR CB . 16174 1 1393 . 2 2 51 51 THR CG2 C 13 21.985 0.400 . 1 . . . . 651 THR CG2 . 16174 1 1394 . 2 2 51 51 THR N N 15 117.968 0.400 . 1 . . . . 651 THR N . 16174 1 1395 . 2 2 52 52 TYR H H 1 8.600 0.020 . 1 . . . . 652 TYR H . 16174 1 1396 . 2 2 52 52 TYR HA H 1 4.620 0.020 . 1 . . . . 652 TYR HA . 16174 1 1397 . 2 2 52 52 TYR HB2 H 1 2.453 0.020 . 2 . . . . 652 TYR HB2 . 16174 1 1398 . 2 2 52 52 TYR HB3 H 1 2.453 0.020 . 2 . . . . 652 TYR HB3 . 16174 1 1399 . 2 2 52 52 TYR HD1 H 1 6.634 0.020 . 1 . . . . 652 TYR HD1 . 16174 1 1400 . 2 2 52 52 TYR HD2 H 1 6.634 0.020 . 1 . . . . 652 TYR HD2 . 16174 1 1401 . 2 2 52 52 TYR CA C 13 60.958 0.400 . 1 . . . . 652 TYR CA . 16174 1 1402 . 2 2 52 52 TYR CB C 13 37.145 0.400 . 1 . . . . 652 TYR CB . 16174 1 1403 . 2 2 52 52 TYR N N 15 121.953 0.400 . 1 . . . . 652 TYR N . 16174 1 1404 . 2 2 53 53 GLN H H 1 8.234 0.020 . 1 . . . . 653 GLN H . 16174 1 1405 . 2 2 53 53 GLN HA H 1 3.657 0.020 . 1 . . . . 653 GLN HA . 16174 1 1406 . 2 2 53 53 GLN HB2 H 1 1.916 0.020 . 2 . . . . 653 GLN HB2 . 16174 1 1407 . 2 2 53 53 GLN HB3 H 1 1.916 0.020 . 2 . . . . 653 GLN HB3 . 16174 1 1408 . 2 2 53 53 GLN HG2 H 1 2.444 0.020 . 2 . . . . 653 GLN HG2 . 16174 1 1409 . 2 2 53 53 GLN HG3 H 1 2.260 0.020 . 2 . . . . 653 GLN HG3 . 16174 1 1410 . 2 2 53 53 GLN CA C 13 58.981 0.400 . 1 . . . . 653 GLN CA . 16174 1 1411 . 2 2 53 53 GLN CB C 13 27.898 0.400 . 1 . . . . 653 GLN CB . 16174 1 1412 . 2 2 53 53 GLN CG C 13 34.078 0.400 . 1 . . . . 653 GLN CG . 16174 1 1413 . 2 2 53 53 GLN N N 15 118.102 0.400 . 1 . . . . 653 GLN N . 16174 1 1414 . 2 2 54 54 ALA H H 1 7.890 0.020 . 1 . . . . 654 ALA H . 16174 1 1415 . 2 2 54 54 ALA HA H 1 4.174 0.020 . 1 . . . . 654 ALA HA . 16174 1 1416 . 2 2 54 54 ALA HB1 H 1 1.535 0.020 . 1 . . . . 654 ALA HB . 16174 1 1417 . 2 2 54 54 ALA HB2 H 1 1.535 0.020 . 1 . . . . 654 ALA HB . 16174 1 1418 . 2 2 54 54 ALA HB3 H 1 1.535 0.020 . 1 . . . . 654 ALA HB . 16174 1 1419 . 2 2 54 54 ALA CA C 13 54.955 0.400 . 1 . . . . 654 ALA CA . 16174 1 1420 . 2 2 54 54 ALA CB C 13 18.445 0.400 . 1 . . . . 654 ALA CB . 16174 1 1421 . 2 2 54 54 ALA N N 15 124.591 0.400 . 1 . . . . 654 ALA N . 16174 1 1422 . 2 2 55 55 TRP H H 1 8.368 0.020 . 1 . . . . 655 TRP H . 16174 1 1423 . 2 2 55 55 TRP HA H 1 3.728 0.020 . 1 . . . . 655 TRP HA . 16174 1 1424 . 2 2 55 55 TRP HB2 H 1 3.025 0.020 . 2 . . . . 655 TRP HB2 . 16174 1 1425 . 2 2 55 55 TRP HB3 H 1 2.891 0.020 . 2 . . . . 655 TRP HB3 . 16174 1 1426 . 2 2 55 55 TRP HD1 H 1 7.126 0.020 . 1 . . . . 655 TRP HD1 . 16174 1 1427 . 2 2 55 55 TRP HE1 H 1 10.511 0.020 . 1 . . . . 655 TRP HE1 . 16174 1 1428 . 2 2 55 55 TRP HE3 H 1 6.839 0.020 . 1 . . . . 655 TRP HE3 . 16174 1 1429 . 2 2 55 55 TRP HH2 H 1 5.509 0.020 . 1 . . . . 655 TRP HH2 . 16174 1 1430 . 2 2 55 55 TRP HZ2 H 1 6.633 0.020 . 1 . . . . 655 TRP HZ2 . 16174 1 1431 . 2 2 55 55 TRP HZ3 H 1 6.371 0.020 . 1 . . . . 655 TRP HZ3 . 16174 1 1432 . 2 2 55 55 TRP CA C 13 63.270 0.400 . 1 . . . . 655 TRP CA . 16174 1 1433 . 2 2 55 55 TRP CB C 13 29.657 0.400 . 1 . . . . 655 TRP CB . 16174 1 1434 . 2 2 55 55 TRP N N 15 118.943 0.400 . 1 . . . . 655 TRP N . 16174 1 1435 . 2 2 55 55 TRP NE1 N 15 127.922 0.400 . 1 . . . . 655 TRP NE1 . 16174 1 1436 . 2 2 56 56 GLN H H 1 7.655 0.020 . 1 . . . . 656 GLN H . 16174 1 1437 . 2 2 56 56 GLN HA H 1 3.807 0.020 . 1 . . . . 656 GLN HA . 16174 1 1438 . 2 2 56 56 GLN HB2 H 1 2.184 0.020 . 2 . . . . 656 GLN HB2 . 16174 1 1439 . 2 2 56 56 GLN HB3 H 1 2.086 0.020 . 2 . . . . 656 GLN HB3 . 16174 1 1440 . 2 2 56 56 GLN HG2 H 1 2.432 0.020 . 2 . . . . 656 GLN HG2 . 16174 1 1441 . 2 2 56 56 GLN HG3 H 1 2.432 0.020 . 2 . . . . 656 GLN HG3 . 16174 1 1442 . 2 2 56 56 GLN CA C 13 59.882 0.400 . 1 . . . . 656 GLN CA . 16174 1 1443 . 2 2 56 56 GLN CB C 13 28.077 0.400 . 1 . . . . 656 GLN CB . 16174 1 1444 . 2 2 56 56 GLN CG C 13 33.703 0.400 . 1 . . . . 656 GLN CG . 16174 1 1445 . 2 2 56 56 GLN N N 15 116.197 0.400 . 1 . . . . 656 GLN N . 16174 1 1446 . 2 2 57 57 ALA H H 1 7.507 0.020 . 1 . . . . 657 ALA H . 16174 1 1447 . 2 2 57 57 ALA HA H 1 4.187 0.020 . 1 . . . . 657 ALA HA . 16174 1 1448 . 2 2 57 57 ALA HB1 H 1 1.510 0.020 . 1 . . . . 657 ALA HB . 16174 1 1449 . 2 2 57 57 ALA HB2 H 1 1.510 0.020 . 1 . . . . 657 ALA HB . 16174 1 1450 . 2 2 57 57 ALA HB3 H 1 1.510 0.020 . 1 . . . . 657 ALA HB . 16174 1 1451 . 2 2 57 57 ALA CA C 13 55.142 0.400 . 1 . . . . 657 ALA CA . 16174 1 1452 . 2 2 57 57 ALA CB C 13 17.992 0.400 . 1 . . . . 657 ALA CB . 16174 1 1453 . 2 2 57 57 ALA N N 15 120.711 0.400 . 1 . . . . 657 ALA N . 16174 1 1454 . 2 2 58 58 GLN H H 1 8.155 0.020 . 1 . . . . 658 GLN H . 16174 1 1455 . 2 2 58 58 GLN HA H 1 3.886 0.020 . 1 . . . . 658 GLN HA . 16174 1 1456 . 2 2 58 58 GLN HB2 H 1 1.813 0.020 . 2 . . . . 658 GLN HB2 . 16174 1 1457 . 2 2 58 58 GLN HB3 H 1 2.034 0.020 . 2 . . . . 658 GLN HB3 . 16174 1 1458 . 2 2 58 58 GLN HE21 H 1 7.100 0.020 . 2 . . . . 658 GLN HE21 . 16174 1 1459 . 2 2 58 58 GLN HE22 H 1 6.641 0.020 . 2 . . . . 658 GLN HE22 . 16174 1 1460 . 2 2 58 58 GLN HG2 H 1 2.616 0.020 . 2 . . . . 658 GLN HG2 . 16174 1 1461 . 2 2 58 58 GLN HG3 H 1 2.303 0.020 . 2 . . . . 658 GLN HG3 . 16174 1 1462 . 2 2 58 58 GLN CA C 13 59.168 0.400 . 1 . . . . 658 GLN CA . 16174 1 1463 . 2 2 58 58 GLN CB C 13 28.917 0.400 . 1 . . . . 658 GLN CB . 16174 1 1464 . 2 2 58 58 GLN CG C 13 34.761 0.400 . 1 . . . . 658 GLN CG . 16174 1 1465 . 2 2 58 58 GLN N N 15 118.295 0.400 . 1 . . . . 658 GLN N . 16174 1 1466 . 2 2 58 58 GLN NE2 N 15 109.542 0.400 . 1 . . . . 658 GLN NE2 . 16174 1 1467 . 2 2 59 59 TRP H H 1 9.127 0.020 . 1 . . . . 659 TRP H . 16174 1 1468 . 2 2 59 59 TRP HA H 1 3.728 0.020 . 1 . . . . 659 TRP HA . 16174 1 1469 . 2 2 59 59 TRP HB2 H 1 2.622 0.020 . 2 . . . . 659 TRP HB2 . 16174 1 1470 . 2 2 59 59 TRP HB3 H 1 2.622 0.020 . 2 . . . . 659 TRP HB3 . 16174 1 1471 . 2 2 59 59 TRP HD1 H 1 7.039 0.020 . 1 . . . . 659 TRP HD1 . 16174 1 1472 . 2 2 59 59 TRP HE1 H 1 10.021 0.020 . 1 . . . . 659 TRP HE1 . 16174 1 1473 . 2 2 59 59 TRP HH2 H 1 6.929 0.020 . 1 . . . . 659 TRP HH2 . 16174 1 1474 . 2 2 59 59 TRP HZ2 H 1 7.455 0.020 . 1 . . . . 659 TRP HZ2 . 16174 1 1475 . 2 2 59 59 TRP HZ3 H 1 7.341 0.020 . 1 . . . . 659 TRP HZ3 . 16174 1 1476 . 2 2 59 59 TRP CA C 13 59.777 0.400 . 1 . . . . 659 TRP CA . 16174 1 1477 . 2 2 59 59 TRP CB C 13 28.640 0.400 . 1 . . . . 659 TRP CB . 16174 1 1478 . 2 2 59 59 TRP N N 15 122.981 0.400 . 1 . . . . 659 TRP N . 16174 1 1479 . 2 2 59 59 TRP NE1 N 15 126.078 0.400 . 1 . . . . 659 TRP NE1 . 16174 1 1480 . 2 2 60 60 ASN H H 1 7.901 0.020 . 1 . . . . 660 ASN H . 16174 1 1481 . 2 2 60 60 ASN HA H 1 4.122 0.020 . 1 . . . . 660 ASN HA . 16174 1 1482 . 2 2 60 60 ASN HB2 H 1 2.766 0.020 . 2 . . . . 660 ASN HB2 . 16174 1 1483 . 2 2 60 60 ASN HB3 H 1 2.766 0.020 . 2 . . . . 660 ASN HB3 . 16174 1 1484 . 2 2 60 60 ASN CA C 13 56.666 0.400 . 1 . . . . 660 ASN CA . 16174 1 1485 . 2 2 60 60 ASN CB C 13 38.269 0.400 . 1 . . . . 660 ASN CB . 16174 1 1486 . 2 2 60 60 ASN N N 15 115.275 0.400 . 1 . . . . 660 ASN N . 16174 1 1487 . 2 2 61 61 GLN H H 1 7.399 0.020 . 1 . . . . 661 GLN H . 16174 1 1488 . 2 2 61 61 GLN HA H 1 3.942 0.020 . 1 . . . . 661 GLN HA . 16174 1 1489 . 2 2 61 61 GLN HB2 H 1 2.047 0.020 . 2 . . . . 661 GLN HB2 . 16174 1 1490 . 2 2 61 61 GLN HB3 H 1 2.016 0.020 . 2 . . . . 661 GLN HB3 . 16174 1 1491 . 2 2 61 61 GLN HE21 H 1 7.570 0.020 . 2 . . . . 661 GLN HE21 . 16174 1 1492 . 2 2 61 61 GLN HE22 H 1 6.797 0.020 . 2 . . . . 661 GLN HE22 . 16174 1 1493 . 2 2 61 61 GLN HG2 H 1 2.342 0.020 . 2 . . . . 661 GLN HG2 . 16174 1 1494 . 2 2 61 61 GLN HG3 H 1 2.342 0.020 . 2 . . . . 661 GLN HG3 . 16174 1 1495 . 2 2 61 61 GLN CA C 13 58.537 0.400 . 1 . . . . 661 GLN CA . 16174 1 1496 . 2 2 61 61 GLN CB C 13 28.824 0.400 . 1 . . . . 661 GLN CB . 16174 1 1497 . 2 2 61 61 GLN CG C 13 33.861 0.400 . 1 . . . . 661 GLN CG . 16174 1 1498 . 2 2 61 61 GLN N N 15 118.185 0.400 . 1 . . . . 661 GLN N . 16174 1 1499 . 2 2 61 61 GLN NE2 N 15 114.458 0.400 . 1 . . . . 661 GLN NE2 . 16174 1 1500 . 2 2 62 62 ALA H H 1 8.254 0.020 . 1 . . . . 662 ALA H . 16174 1 1501 . 2 2 62 62 ALA HA H 1 3.961 0.020 . 1 . . . . 662 ALA HA . 16174 1 1502 . 2 2 62 62 ALA HB1 H 1 1.119 0.020 . 1 . . . . 662 ALA HB . 16174 1 1503 . 2 2 62 62 ALA HB2 H 1 1.119 0.020 . 1 . . . . 662 ALA HB . 16174 1 1504 . 2 2 62 62 ALA HB3 H 1 1.119 0.020 . 1 . . . . 662 ALA HB . 16174 1 1505 . 2 2 62 62 ALA CA C 13 54.886 0.400 . 1 . . . . 662 ALA CA . 16174 1 1506 . 2 2 62 62 ALA CB C 13 17.924 0.400 . 1 . . . . 662 ALA CB . 16174 1 1507 . 2 2 62 62 ALA N N 15 122.198 0.400 . 1 . . . . 662 ALA N . 16174 1 1508 . 2 2 63 63 MET H H 1 8.117 0.020 . 1 . . . . 663 MET H . 16174 1 1509 . 2 2 63 63 MET HA H 1 4.196 0.020 . 1 . . . . 663 MET HA . 16174 1 1510 . 2 2 63 63 MET HB2 H 1 1.731 0.020 . 2 . . . . 663 MET HB2 . 16174 1 1511 . 2 2 63 63 MET HB3 H 1 1.128 0.020 . 2 . . . . 663 MET HB3 . 16174 1 1512 . 2 2 63 63 MET HE1 H 1 1.673 0.020 . 1 . . . . 663 MET HE . 16174 1 1513 . 2 2 63 63 MET HE2 H 1 1.673 0.020 . 1 . . . . 663 MET HE . 16174 1 1514 . 2 2 63 63 MET HE3 H 1 1.673 0.020 . 1 . . . . 663 MET HE . 16174 1 1515 . 2 2 63 63 MET HG2 H 1 2.036 0.020 . 2 . . . . 663 MET HG2 . 16174 1 1516 . 2 2 63 63 MET HG3 H 1 2.036 0.020 . 2 . . . . 663 MET HG3 . 16174 1 1517 . 2 2 63 63 MET CA C 13 54.695 0.400 . 1 . . . . 663 MET CA . 16174 1 1518 . 2 2 63 63 MET CB C 13 28.649 0.400 . 1 . . . . 663 MET CB . 16174 1 1519 . 2 2 63 63 MET CE C 13 14.486 0.400 . 1 . . . . 663 MET CE . 16174 1 1520 . 2 2 63 63 MET N N 15 115.815 0.400 . 1 . . . . 663 MET N . 16174 1 1521 . 2 2 64 64 GLU H H 1 7.526 0.020 . 1 . . . . 664 GLU H . 16174 1 1522 . 2 2 64 64 GLU HA H 1 3.937 0.020 . 1 . . . . 664 GLU HA . 16174 1 1523 . 2 2 64 64 GLU HB2 H 1 2.056 0.020 . 2 . . . . 664 GLU HB2 . 16174 1 1524 . 2 2 64 64 GLU HB3 H 1 2.056 0.020 . 2 . . . . 664 GLU HB3 . 16174 1 1525 . 2 2 64 64 GLU HG2 H 1 2.317 0.020 . 2 . . . . 664 GLU HG2 . 16174 1 1526 . 2 2 64 64 GLU HG3 H 1 2.170 0.020 . 2 . . . . 664 GLU HG3 . 16174 1 1527 . 2 2 64 64 GLU CA C 13 59.858 0.400 . 1 . . . . 664 GLU CA . 16174 1 1528 . 2 2 64 64 GLU CB C 13 29.027 0.400 . 1 . . . . 664 GLU CB . 16174 1 1529 . 2 2 64 64 GLU CG C 13 36.509 0.400 . 1 . . . . 664 GLU CG . 16174 1 1530 . 2 2 64 64 GLU N N 15 121.261 0.400 . 1 . . . . 664 GLU N . 16174 1 1531 . 2 2 65 65 ASP H H 1 8.095 0.020 . 1 . . . . 665 ASP H . 16174 1 1532 . 2 2 65 65 ASP HA H 1 4.308 0.020 . 1 . . . . 665 ASP HA . 16174 1 1533 . 2 2 65 65 ASP HB2 H 1 2.782 0.020 . 2 . . . . 665 ASP HB2 . 16174 1 1534 . 2 2 65 65 ASP HB3 H 1 2.535 0.020 . 2 . . . . 665 ASP HB3 . 16174 1 1535 . 2 2 65 65 ASP CA C 13 57.462 0.400 . 1 . . . . 665 ASP CA . 16174 1 1536 . 2 2 65 65 ASP CB C 13 40.474 0.400 . 1 . . . . 665 ASP CB . 16174 1 1537 . 2 2 65 65 ASP N N 15 119.216 0.400 . 1 . . . . 665 ASP N . 16174 1 1538 . 2 2 66 66 LEU H H 1 8.344 0.020 . 1 . . . . 666 LEU H . 16174 1 1539 . 2 2 66 66 LEU HA H 1 3.760 0.020 . 1 . . . . 666 LEU HA . 16174 1 1540 . 2 2 66 66 LEU HB2 H 1 2.022 0.020 . 2 . . . . 666 LEU HB2 . 16174 1 1541 . 2 2 66 66 LEU HB3 H 1 2.022 0.020 . 2 . . . . 666 LEU HB3 . 16174 1 1542 . 2 2 66 66 LEU HD11 H 1 0.796 0.020 . 2 . . . . 666 LEU HD1 . 16174 1 1543 . 2 2 66 66 LEU HD12 H 1 0.796 0.020 . 2 . . . . 666 LEU HD1 . 16174 1 1544 . 2 2 66 66 LEU HD13 H 1 0.796 0.020 . 2 . . . . 666 LEU HD1 . 16174 1 1545 . 2 2 66 66 LEU HD21 H 1 0.416 0.020 . 2 . . . . 666 LEU HD2 . 16174 1 1546 . 2 2 66 66 LEU HD22 H 1 0.416 0.020 . 2 . . . . 666 LEU HD2 . 16174 1 1547 . 2 2 66 66 LEU HD23 H 1 0.416 0.020 . 2 . . . . 666 LEU HD2 . 16174 1 1548 . 2 2 66 66 LEU HG H 1 1.502 0.020 . 1 . . . . 666 LEU HG . 16174 1 1549 . 2 2 66 66 LEU CA C 13 59.014 0.400 . 1 . . . . 666 LEU CA . 16174 1 1550 . 2 2 66 66 LEU CB C 13 42.688 0.400 . 1 . . . . 666 LEU CB . 16174 1 1551 . 2 2 66 66 LEU CD1 C 13 27.330 0.400 . 1 . . . . 666 LEU CD1 . 16174 1 1552 . 2 2 66 66 LEU CD2 C 13 25.549 0.400 . 1 . . . . 666 LEU CD2 . 16174 1 1553 . 2 2 66 66 LEU CG C 13 26.409 0.400 . 1 . . . . 666 LEU CG . 16174 1 1554 . 2 2 66 66 LEU N N 15 121.555 0.400 . 1 . . . . 666 LEU N . 16174 1 1555 . 2 2 67 67 VAL H H 1 8.176 0.020 . 1 . . . . 667 VAL H . 16174 1 1556 . 2 2 67 67 VAL HA H 1 3.536 0.020 . 1 . . . . 667 VAL HA . 16174 1 1557 . 2 2 67 67 VAL HB H 1 2.156 0.020 . 1 . . . . 667 VAL HB . 16174 1 1558 . 2 2 67 67 VAL HG11 H 1 1.007 0.020 . 2 . . . . 667 VAL HG1 . 16174 1 1559 . 2 2 67 67 VAL HG12 H 1 1.007 0.020 . 2 . . . . 667 VAL HG1 . 16174 1 1560 . 2 2 67 67 VAL HG13 H 1 1.007 0.020 . 2 . . . . 667 VAL HG1 . 16174 1 1561 . 2 2 67 67 VAL HG21 H 1 0.952 0.020 . 2 . . . . 667 VAL HG2 . 16174 1 1562 . 2 2 67 67 VAL HG22 H 1 0.952 0.020 . 2 . . . . 667 VAL HG2 . 16174 1 1563 . 2 2 67 67 VAL HG23 H 1 0.952 0.020 . 2 . . . . 667 VAL HG2 . 16174 1 1564 . 2 2 67 67 VAL CA C 13 67.361 0.400 . 1 . . . . 667 VAL CA . 16174 1 1565 . 2 2 67 67 VAL CB C 13 31.865 0.400 . 1 . . . . 667 VAL CB . 16174 1 1566 . 2 2 67 67 VAL CG1 C 13 23.393 0.400 . 1 . . . . 667 VAL CG1 . 16174 1 1567 . 2 2 67 67 VAL CG2 C 13 21.773 0.400 . 1 . . . . 667 VAL CG2 . 16174 1 1568 . 2 2 67 67 VAL N N 15 118.212 0.400 . 1 . . . . 667 VAL N . 16174 1 1569 . 2 2 68 68 ARG H H 1 8.450 0.020 . 1 . . . . 668 ARG H . 16174 1 1570 . 2 2 68 68 ARG HA H 1 4.145 0.020 . 1 . . . . 668 ARG HA . 16174 1 1571 . 2 2 68 68 ARG HB2 H 1 2.016 0.020 . 2 . . . . 668 ARG HB2 . 16174 1 1572 . 2 2 68 68 ARG HB3 H 1 1.879 0.020 . 2 . . . . 668 ARG HB3 . 16174 1 1573 . 2 2 68 68 ARG HD2 H 1 3.218 0.020 . 2 . . . . 668 ARG HD2 . 16174 1 1574 . 2 2 68 68 ARG HD3 H 1 3.218 0.020 . 2 . . . . 668 ARG HD3 . 16174 1 1575 . 2 2 68 68 ARG HG2 H 1 1.892 0.020 . 2 . . . . 668 ARG HG2 . 16174 1 1576 . 2 2 68 68 ARG HG3 H 1 1.682 0.020 . 2 . . . . 668 ARG HG3 . 16174 1 1577 . 2 2 68 68 ARG CA C 13 60.152 0.400 . 1 . . . . 668 ARG CA . 16174 1 1578 . 2 2 68 68 ARG CB C 13 30.153 0.400 . 1 . . . . 668 ARG CB . 16174 1 1579 . 2 2 68 68 ARG CD C 13 43.484 0.400 . 1 . . . . 668 ARG CD . 16174 1 1580 . 2 2 68 68 ARG CG C 13 28.218 0.400 . 1 . . . . 668 ARG CG . 16174 1 1581 . 2 2 68 68 ARG N N 15 119.558 0.400 . 1 . . . . 668 ARG N . 16174 1 1582 . 2 2 69 69 ALA H H 1 8.275 0.020 . 1 . . . . 669 ALA H . 16174 1 1583 . 2 2 69 69 ALA HA H 1 4.249 0.020 . 1 . . . . 669 ALA HA . 16174 1 1584 . 2 2 69 69 ALA HB1 H 1 1.702 0.020 . 1 . . . . 669 ALA HB . 16174 1 1585 . 2 2 69 69 ALA HB2 H 1 1.702 0.020 . 1 . . . . 669 ALA HB . 16174 1 1586 . 2 2 69 69 ALA HB3 H 1 1.702 0.020 . 1 . . . . 669 ALA HB . 16174 1 1587 . 2 2 69 69 ALA CA C 13 55.043 0.400 . 1 . . . . 669 ALA CA . 16174 1 1588 . 2 2 69 69 ALA CB C 13 17.871 0.400 . 1 . . . . 669 ALA CB . 16174 1 1589 . 2 2 69 69 ALA N N 15 121.661 0.400 . 1 . . . . 669 ALA N . 16174 1 1590 . 2 2 70 70 TYR H H 1 8.647 0.020 . 1 . . . . 670 TYR H . 16174 1 1591 . 2 2 70 70 TYR HA H 1 3.876 0.020 . 1 . . . . 670 TYR HA . 16174 1 1592 . 2 2 70 70 TYR HB2 H 1 3.197 0.020 . 2 . . . . 670 TYR HB2 . 16174 1 1593 . 2 2 70 70 TYR HB3 H 1 2.936 0.020 . 2 . . . . 670 TYR HB3 . 16174 1 1594 . 2 2 70 70 TYR HD1 H 1 6.660 0.020 . 1 . . . . 670 TYR HD1 . 16174 1 1595 . 2 2 70 70 TYR HD2 H 1 6.660 0.020 . 1 . . . . 670 TYR HD2 . 16174 1 1596 . 2 2 70 70 TYR HE1 H 1 6.401 0.020 . 1 . . . . 670 TYR HE1 . 16174 1 1597 . 2 2 70 70 TYR HE2 H 1 6.401 0.020 . 1 . . . . 670 TYR HE2 . 16174 1 1598 . 2 2 70 70 TYR CA C 13 62.970 0.400 . 1 . . . . 670 TYR CA . 16174 1 1599 . 2 2 70 70 TYR CB C 13 38.073 0.400 . 1 . . . . 670 TYR CB . 16174 1 1600 . 2 2 70 70 TYR N N 15 120.294 0.400 . 1 . . . . 670 TYR N . 16174 1 1601 . 2 2 71 71 HIS H H 1 8.838 0.020 . 1 . . . . 671 HIS H . 16174 1 1602 . 2 2 71 71 HIS HA H 1 4.310 0.020 . 1 . . . . 671 HIS HA . 16174 1 1603 . 2 2 71 71 HIS HB2 H 1 3.267 0.020 . 2 . . . . 671 HIS HB2 . 16174 1 1604 . 2 2 71 71 HIS HB3 H 1 3.152 0.020 . 2 . . . . 671 HIS HB3 . 16174 1 1605 . 2 2 71 71 HIS CA C 13 59.706 0.400 . 1 . . . . 671 HIS CA . 16174 1 1606 . 2 2 71 71 HIS CB C 13 30.424 0.400 . 1 . . . . 671 HIS CB . 16174 1 1607 . 2 2 71 71 HIS N N 15 119.046 0.400 . 1 . . . . 671 HIS N . 16174 1 1608 . 2 2 72 72 ALA H H 1 7.968 0.020 . 1 . . . . 672 ALA H . 16174 1 1609 . 2 2 72 72 ALA HA H 1 4.173 0.020 . 1 . . . . 672 ALA HA . 16174 1 1610 . 2 2 72 72 ALA HB1 H 1 1.529 0.020 . 1 . . . . 672 ALA HB . 16174 1 1611 . 2 2 72 72 ALA HB2 H 1 1.529 0.020 . 1 . . . . 672 ALA HB . 16174 1 1612 . 2 2 72 72 ALA HB3 H 1 1.529 0.020 . 1 . . . . 672 ALA HB . 16174 1 1613 . 2 2 72 72 ALA CA C 13 54.907 0.400 . 1 . . . . 672 ALA CA . 16174 1 1614 . 2 2 72 72 ALA CB C 13 17.966 0.400 . 1 . . . . 672 ALA CB . 16174 1 1615 . 2 2 72 72 ALA N N 15 121.675 0.400 . 1 . . . . 672 ALA N . 16174 1 1616 . 2 2 73 73 MET H H 1 7.781 0.020 . 1 . . . . 673 MET H . 16174 1 1617 . 2 2 73 73 MET HA H 1 3.774 0.020 . 1 . . . . 673 MET HA . 16174 1 1618 . 2 2 73 73 MET HB2 H 1 1.899 0.020 . 2 . . . . 673 MET HB2 . 16174 1 1619 . 2 2 73 73 MET HB3 H 1 1.575 0.020 . 2 . . . . 673 MET HB3 . 16174 1 1620 . 2 2 73 73 MET HE1 H 1 1.800 0.020 . 1 . . . . 673 MET HE . 16174 1 1621 . 2 2 73 73 MET HE2 H 1 1.800 0.020 . 1 . . . . 673 MET HE . 16174 1 1622 . 2 2 73 73 MET HE3 H 1 1.800 0.020 . 1 . . . . 673 MET HE . 16174 1 1623 . 2 2 73 73 MET HG2 H 1 2.276 0.020 . 2 . . . . 673 MET HG2 . 16174 1 1624 . 2 2 73 73 MET HG3 H 1 2.276 0.020 . 2 . . . . 673 MET HG3 . 16174 1 1625 . 2 2 73 73 MET CA C 13 59.279 0.400 . 1 . . . . 673 MET CA . 16174 1 1626 . 2 2 73 73 MET CB C 13 33.922 0.400 . 1 . . . . 673 MET CB . 16174 1 1627 . 2 2 73 73 MET CE C 13 17.075 0.400 . 1 . . . . 673 MET CE . 16174 1 1628 . 2 2 73 73 MET N N 15 117.361 0.400 . 1 . . . . 673 MET N . 16174 1 1629 . 2 2 74 74 SER H H 1 7.886 0.020 . 1 . . . . 674 SER H . 16174 1 1630 . 2 2 74 74 SER HA H 1 4.286 0.020 . 1 . . . . 674 SER HA . 16174 1 1631 . 2 2 74 74 SER HB2 H 1 3.740 0.020 . 2 . . . . 674 SER HB2 . 16174 1 1632 . 2 2 74 74 SER HB3 H 1 3.919 0.020 . 2 . . . . 674 SER HB3 . 16174 1 1633 . 2 2 74 74 SER CA C 13 60.242 0.400 . 1 . . . . 674 SER CA . 16174 1 1634 . 2 2 74 74 SER CB C 13 63.561 0.400 . 1 . . . . 674 SER CB . 16174 1 1635 . 2 2 74 74 SER N N 15 113.497 0.400 . 1 . . . . 674 SER N . 16174 1 1636 . 2 2 75 75 SER HA H 1 4.444 0.020 . 1 . . . . 675 SER HA . 16174 1 1637 . 2 2 75 75 SER HB2 H 1 3.862 0.020 . 2 . . . . 675 SER HB2 . 16174 1 1638 . 2 2 75 75 SER HB3 H 1 3.862 0.020 . 2 . . . . 675 SER HB3 . 16174 1 1639 . 2 2 75 75 SER CA C 13 59.708 0.400 . 1 . . . . 675 SER CA . 16174 1 1640 . 2 2 76 76 THR HA H 1 4.081 0.020 . 1 . . . . 676 THR HA . 16174 1 1641 . 2 2 76 76 THR HB H 1 4.222 0.020 . 1 . . . . 676 THR HB . 16174 1 1642 . 2 2 76 76 THR HG21 H 1 1.152 0.020 . 1 . . . . 676 THR HG2 . 16174 1 1643 . 2 2 76 76 THR HG22 H 1 1.152 0.020 . 1 . . . . 676 THR HG2 . 16174 1 1644 . 2 2 76 76 THR HG23 H 1 1.152 0.020 . 1 . . . . 676 THR HG2 . 16174 1 1645 . 2 2 76 76 THR CA C 13 64.308 0.400 . 1 . . . . 676 THR CA . 16174 1 1646 . 2 2 76 76 THR CB C 13 69.261 0.400 . 1 . . . . 676 THR CB . 16174 1 1647 . 2 2 76 76 THR CG2 C 13 21.867 0.400 . 1 . . . . 676 THR CG2 . 16174 1 1648 . 2 2 77 77 HIS HA H 1 4.584 0.020 . 1 . . . . 677 HIS HA . 16174 1 1649 . 2 2 77 77 HIS HB2 H 1 3.155 0.020 . 2 . . . . 677 HIS HB2 . 16174 1 1650 . 2 2 77 77 HIS HB3 H 1 3.088 0.020 . 2 . . . . 677 HIS HB3 . 16174 1 1651 . 2 2 77 77 HIS CA C 13 57.543 0.400 . 1 . . . . 677 HIS CA . 16174 1 1652 . 2 2 77 77 HIS CB C 13 30.922 0.400 . 1 . . . . 677 HIS CB . 16174 1 1653 . 2 2 78 78 GLU HA H 1 4.063 0.020 . 1 . . . . 678 GLU HA . 16174 1 1654 . 2 2 78 78 GLU HB2 H 1 2.017 0.020 . 2 . . . . 678 GLU HB2 . 16174 1 1655 . 2 2 78 78 GLU HB3 H 1 2.017 0.020 . 2 . . . . 678 GLU HB3 . 16174 1 1656 . 2 2 78 78 GLU HG2 H 1 2.199 0.020 . 2 . . . . 678 GLU HG2 . 16174 1 1657 . 2 2 78 78 GLU HG3 H 1 2.199 0.020 . 2 . . . . 678 GLU HG3 . 16174 1 1658 . 2 2 78 78 GLU CA C 13 57.625 0.400 . 1 . . . . 678 GLU CA . 16174 1 1659 . 2 2 78 78 GLU CB C 13 29.993 0.400 . 1 . . . . 678 GLU CB . 16174 1 1660 . 2 2 78 78 GLU CG C 13 36.464 0.400 . 1 . . . . 678 GLU CG . 16174 1 1661 . 2 2 79 79 ALA H H 1 8.280 0.020 . 1 . . . . 679 ALA H . 16174 1 1662 . 2 2 79 79 ALA HA H 1 4.240 0.020 . 1 . . . . 679 ALA HA . 16174 1 1663 . 2 2 79 79 ALA HB1 H 1 1.462 0.020 . 1 . . . . 679 ALA HB . 16174 1 1664 . 2 2 79 79 ALA HB2 H 1 1.462 0.020 . 1 . . . . 679 ALA HB . 16174 1 1665 . 2 2 79 79 ALA HB3 H 1 1.462 0.020 . 1 . . . . 679 ALA HB . 16174 1 1666 . 2 2 79 79 ALA CA C 13 53.569 0.400 . 1 . . . . 679 ALA CA . 16174 1 1667 . 2 2 79 79 ALA CB C 13 18.921 0.400 . 1 . . . . 679 ALA CB . 16174 1 1668 . 2 2 79 79 ALA N N 15 123.475 0.400 . 1 . . . . 679 ALA N . 16174 1 1669 . 2 2 80 80 ASN H H 1 8.312 0.020 . 1 . . . . 680 ASN H . 16174 1 1670 . 2 2 80 80 ASN HA H 1 4.678 0.020 . 1 . . . . 680 ASN HA . 16174 1 1671 . 2 2 80 80 ASN HB2 H 1 2.826 0.020 . 2 . . . . 680 ASN HB2 . 16174 1 1672 . 2 2 80 80 ASN HB3 H 1 2.826 0.020 . 2 . . . . 680 ASN HB3 . 16174 1 1673 . 2 2 80 80 ASN HD21 H 1 7.590 0.020 . 2 . . . . 680 ASN HD21 . 16174 1 1674 . 2 2 80 80 ASN HD22 H 1 6.871 0.020 . 2 . . . . 680 ASN HD22 . 16174 1 1675 . 2 2 80 80 ASN CA C 13 54.070 0.400 . 1 . . . . 680 ASN CA . 16174 1 1676 . 2 2 80 80 ASN CB C 13 38.800 0.400 . 1 . . . . 680 ASN CB . 16174 1 1677 . 2 2 80 80 ASN N N 15 117.362 0.400 . 1 . . . . 680 ASN N . 16174 1 1678 . 2 2 80 80 ASN ND2 N 15 112.550 0.400 . 1 . . . . 680 ASN ND2 . 16174 1 1679 . 2 2 81 81 THR H H 1 8.041 0.020 . 1 . . . . 681 THR H . 16174 1 1680 . 2 2 81 81 THR HA H 1 4.245 0.020 . 1 . . . . 681 THR HA . 16174 1 1681 . 2 2 81 81 THR HB H 1 4.286 0.020 . 1 . . . . 681 THR HB . 16174 1 1682 . 2 2 81 81 THR HG21 H 1 1.218 0.020 . 1 . . . . 681 THR HG2 . 16174 1 1683 . 2 2 81 81 THR HG22 H 1 1.218 0.020 . 1 . . . . 681 THR HG2 . 16174 1 1684 . 2 2 81 81 THR HG23 H 1 1.218 0.020 . 1 . . . . 681 THR HG2 . 16174 1 1685 . 2 2 81 81 THR CA C 13 63.657 0.400 . 1 . . . . 681 THR CA . 16174 1 1686 . 2 2 81 81 THR CB C 13 69.348 0.400 . 1 . . . . 681 THR CB . 16174 1 1687 . 2 2 81 81 THR CG2 C 13 21.688 0.400 . 1 . . . . 681 THR CG2 . 16174 1 1688 . 2 2 81 81 THR N N 15 114.442 0.400 . 1 . . . . 681 THR N . 16174 1 1689 . 2 2 82 82 MET H H 1 8.203 0.020 . 1 . . . . 682 MET H . 16174 1 1690 . 2 2 82 82 MET HA H 1 4.304 0.020 . 1 . . . . 682 MET HA . 16174 1 1691 . 2 2 82 82 MET HB2 H 1 2.068 0.020 . 2 . . . . 682 MET HB2 . 16174 1 1692 . 2 2 82 82 MET HB3 H 1 2.068 0.020 . 2 . . . . 682 MET HB3 . 16174 1 1693 . 2 2 82 82 MET HE1 H 1 2.032 0.020 . 1 . . . . 682 MET HE . 16174 1 1694 . 2 2 82 82 MET HE2 H 1 2.032 0.020 . 1 . . . . 682 MET HE . 16174 1 1695 . 2 2 82 82 MET HE3 H 1 2.032 0.020 . 1 . . . . 682 MET HE . 16174 1 1696 . 2 2 82 82 MET HG2 H 1 2.610 0.020 . 2 . . . . 682 MET HG2 . 16174 1 1697 . 2 2 82 82 MET HG3 H 1 2.519 0.020 . 2 . . . . 682 MET HG3 . 16174 1 1698 . 2 2 82 82 MET CA C 13 56.859 0.400 . 1 . . . . 682 MET CA . 16174 1 1699 . 2 2 82 82 MET CB C 13 32.489 0.400 . 1 . . . . 682 MET CB . 16174 1 1700 . 2 2 82 82 MET CE C 13 17.079 0.400 . 1 . . . . 682 MET CE . 16174 1 1701 . 2 2 82 82 MET CG C 13 32.220 0.400 . 1 . . . . 682 MET CG . 16174 1 1702 . 2 2 82 82 MET N N 15 121.155 0.400 . 1 . . . . 682 MET N . 16174 1 1703 . 2 2 83 83 ALA CA C 13 53.554 0.400 . 1 . . . . 683 ALA CA . 16174 1 1704 . 2 2 83 83 ALA CB C 13 18.733 0.400 . 1 . . . . 683 ALA CB . 16174 1 1705 . 2 2 84 84 MET H H 1 8.018 0.020 . 1 . . . . 684 MET H . 16174 1 1706 . 2 2 84 84 MET HA H 1 4.323 0.020 . 1 . . . . 684 MET HA . 16174 1 1707 . 2 2 84 84 MET HB2 H 1 2.098 0.020 . 2 . . . . 684 MET HB2 . 16174 1 1708 . 2 2 84 84 MET HB3 H 1 1.419 0.020 . 2 . . . . 684 MET HB3 . 16174 1 1709 . 2 2 84 84 MET HG2 H 1 2.646 0.020 . 2 . . . . 684 MET HG2 . 16174 1 1710 . 2 2 84 84 MET HG3 H 1 2.646 0.020 . 2 . . . . 684 MET HG3 . 16174 1 1711 . 2 2 84 84 MET CA C 13 56.412 0.400 . 1 . . . . 684 MET CA . 16174 1 1712 . 2 2 84 84 MET CB C 13 32.652 0.400 . 1 . . . . 684 MET CB . 16174 1 1713 . 2 2 84 84 MET N N 15 118.036 0.400 . 1 . . . . 684 MET N . 16174 1 1714 . 2 2 85 85 MET H H 1 8.087 0.020 . 1 . . . . 685 MET H . 16174 1 1715 . 2 2 85 85 MET HA H 1 4.298 0.020 . 1 . . . . 685 MET HA . 16174 1 1716 . 2 2 85 85 MET CA C 13 56.095 0.400 . 1 . . . . 685 MET CA . 16174 1 1717 . 2 2 85 85 MET CB C 13 32.817 0.400 . 1 . . . . 685 MET CB . 16174 1 1718 . 2 2 85 85 MET N N 15 121.797 0.400 . 1 . . . . 685 MET N . 16174 1 1719 . 2 2 86 86 ALA H H 1 8.075 0.020 . 1 . . . . 686 ALA H . 16174 1 1720 . 2 2 86 86 ALA HA H 1 4.324 0.020 . 1 . . . . 686 ALA HA . 16174 1 1721 . 2 2 86 86 ALA HB1 H 1 1.410 0.020 . 1 . . . . 686 ALA HB . 16174 1 1722 . 2 2 86 86 ALA HB2 H 1 1.410 0.020 . 1 . . . . 686 ALA HB . 16174 1 1723 . 2 2 86 86 ALA HB3 H 1 1.410 0.020 . 1 . . . . 686 ALA HB . 16174 1 1724 . 2 2 86 86 ALA CA C 13 52.858 0.400 . 1 . . . . 686 ALA CA . 16174 1 1725 . 2 2 86 86 ALA CB C 13 18.960 0.400 . 1 . . . . 686 ALA CB . 16174 1 1726 . 2 2 86 86 ALA N N 15 124.075 0.400 . 1 . . . . 686 ALA N . 16174 1 1727 . 2 2 87 87 ARG H H 1 8.098 0.020 . 1 . . . . 687 ARG H . 16174 1 1728 . 2 2 87 87 ARG HA H 1 4.264 0.020 . 1 . . . . 687 ARG HA . 16174 1 1729 . 2 2 87 87 ARG HB2 H 1 1.868 0.020 . 2 . . . . 687 ARG HB2 . 16174 1 1730 . 2 2 87 87 ARG HB3 H 1 1.794 0.020 . 2 . . . . 687 ARG HB3 . 16174 1 1731 . 2 2 87 87 ARG HD2 H 1 3.168 0.020 . 2 . . . . 687 ARG HD2 . 16174 1 1732 . 2 2 87 87 ARG HD3 H 1 3.168 0.020 . 2 . . . . 687 ARG HD3 . 16174 1 1733 . 2 2 87 87 ARG HG2 H 1 1.673 0.020 . 2 . . . . 687 ARG HG2 . 16174 1 1734 . 2 2 87 87 ARG HG3 H 1 1.614 0.020 . 2 . . . . 687 ARG HG3 . 16174 1 1735 . 2 2 87 87 ARG CA C 13 56.644 0.400 . 1 . . . . 687 ARG CA . 16174 1 1736 . 2 2 87 87 ARG CB C 13 30.874 0.400 . 1 . . . . 687 ARG CB . 16174 1 1737 . 2 2 87 87 ARG CD C 13 43.418 0.400 . 1 . . . . 687 ARG CD . 16174 1 1738 . 2 2 87 87 ARG CG C 13 26.993 0.400 . 1 . . . . 687 ARG CG . 16174 1 1739 . 2 2 87 87 ARG N N 15 119.730 0.400 . 1 . . . . 687 ARG N . 16174 1 1740 . 2 2 88 88 ASP H H 1 8.303 0.020 . 1 . . . . 688 ASP H . 16174 1 1741 . 2 2 88 88 ASP HA H 1 4.643 0.020 . 1 . . . . 688 ASP HA . 16174 1 1742 . 2 2 88 88 ASP HB2 H 1 2.684 0.020 . 2 . . . . 688 ASP HB2 . 16174 1 1743 . 2 2 88 88 ASP HB3 H 1 2.742 0.020 . 2 . . . . 688 ASP HB3 . 16174 1 1744 . 2 2 88 88 ASP CA C 13 54.846 0.400 . 1 . . . . 688 ASP CA . 16174 1 1745 . 2 2 88 88 ASP CB C 13 40.978 0.400 . 1 . . . . 688 ASP CB . 16174 1 1746 . 2 2 88 88 ASP N N 15 120.711 0.400 . 1 . . . . 688 ASP N . 16174 1 1747 . 2 2 89 89 THR H H 1 8.032 0.020 . 1 . . . . 689 THR H . 16174 1 1748 . 2 2 89 89 THR HA H 1 4.245 0.020 . 1 . . . . 689 THR HA . 16174 1 1749 . 2 2 89 89 THR HB H 1 4.279 0.020 . 1 . . . . 689 THR HB . 16174 1 1750 . 2 2 89 89 THR HG21 H 1 1.211 0.020 . 1 . . . . 689 THR HG2 . 16174 1 1751 . 2 2 89 89 THR HG22 H 1 1.211 0.020 . 1 . . . . 689 THR HG2 . 16174 1 1752 . 2 2 89 89 THR HG23 H 1 1.211 0.020 . 1 . . . . 689 THR HG2 . 16174 1 1753 . 2 2 89 89 THR CA C 13 62.615 0.400 . 1 . . . . 689 THR CA . 16174 1 1754 . 2 2 89 89 THR CB C 13 69.637 0.400 . 1 . . . . 689 THR CB . 16174 1 1755 . 2 2 89 89 THR CG2 C 13 21.705 0.400 . 1 . . . . 689 THR CG2 . 16174 1 1756 . 2 2 89 89 THR N N 15 114.235 0.400 . 1 . . . . 689 THR N . 16174 1 1757 . 2 2 90 90 ALA H H 1 8.247 0.020 . 1 . . . . 690 ALA H . 16174 1 1758 . 2 2 90 90 ALA HA H 1 4.287 0.020 . 1 . . . . 690 ALA HA . 16174 1 1759 . 2 2 90 90 ALA HB1 H 1 1.445 0.020 . 1 . . . . 690 ALA HB . 16174 1 1760 . 2 2 90 90 ALA HB2 H 1 1.445 0.020 . 1 . . . . 690 ALA HB . 16174 1 1761 . 2 2 90 90 ALA HB3 H 1 1.445 0.020 . 1 . . . . 690 ALA HB . 16174 1 1762 . 2 2 90 90 ALA CA C 13 53.416 0.400 . 1 . . . . 690 ALA CA . 16174 1 1763 . 2 2 90 90 ALA CB C 13 18.881 0.400 . 1 . . . . 690 ALA CB . 16174 1 1764 . 2 2 90 90 ALA N N 15 125.662 0.400 . 1 . . . . 690 ALA N . 16174 1 1765 . 2 2 91 91 GLU H H 1 8.217 0.020 . 1 . . . . 691 GLU H . 16174 1 1766 . 2 2 91 91 GLU HA H 1 4.165 0.020 . 1 . . . . 691 GLU HA . 16174 1 1767 . 2 2 91 91 GLU HB2 H 1 2.045 0.020 . 2 . . . . 691 GLU HB2 . 16174 1 1768 . 2 2 91 91 GLU HB3 H 1 1.982 0.020 . 2 . . . . 691 GLU HB3 . 16174 1 1769 . 2 2 91 91 GLU HG2 H 1 2.283 0.020 . 2 . . . . 691 GLU HG2 . 16174 1 1770 . 2 2 91 91 GLU HG3 H 1 2.283 0.020 . 2 . . . . 691 GLU HG3 . 16174 1 1771 . 2 2 91 91 GLU CA C 13 57.231 0.400 . 1 . . . . 691 GLU CA . 16174 1 1772 . 2 2 91 91 GLU CB C 13 29.868 0.400 . 1 . . . . 691 GLU CB . 16174 1 1773 . 2 2 91 91 GLU CG C 13 36.404 0.400 . 1 . . . . 691 GLU CG . 16174 1 1774 . 2 2 91 91 GLU N N 15 119.404 0.400 . 1 . . . . 691 GLU N . 16174 1 1775 . 2 2 92 92 ALA H H 1 8.042 0.020 . 1 . . . . 692 ALA H . 16174 1 1776 . 2 2 92 92 ALA HA H 1 4.132 0.020 . 1 . . . . 692 ALA HA . 16174 1 1777 . 2 2 92 92 ALA HB1 H 1 1.401 0.020 . 1 . . . . 692 ALA HB . 16174 1 1778 . 2 2 92 92 ALA HB2 H 1 1.401 0.020 . 1 . . . . 692 ALA HB . 16174 1 1779 . 2 2 92 92 ALA HB3 H 1 1.401 0.020 . 1 . . . . 692 ALA HB . 16174 1 1780 . 2 2 92 92 ALA CA C 13 53.133 0.400 . 1 . . . . 692 ALA CA . 16174 1 1781 . 2 2 92 92 ALA CB C 13 18.889 0.400 . 1 . . . . 692 ALA CB . 16174 1 1782 . 2 2 92 92 ALA N N 15 123.476 0.400 . 1 . . . . 692 ALA N . 16174 1 1783 . 2 2 93 93 ALA H H 1 7.978 0.020 . 1 . . . . 693 ALA H . 16174 1 1784 . 2 2 93 93 ALA HA H 1 4.089 0.020 . 1 . . . . 693 ALA HA . 16174 1 1785 . 2 2 93 93 ALA HB1 H 1 1.362 0.020 . 1 . . . . 693 ALA HB . 16174 1 1786 . 2 2 93 93 ALA HB2 H 1 1.362 0.020 . 1 . . . . 693 ALA HB . 16174 1 1787 . 2 2 93 93 ALA HB3 H 1 1.362 0.020 . 1 . . . . 693 ALA HB . 16174 1 1788 . 2 2 93 93 ALA CA C 13 52.980 0.400 . 1 . . . . 693 ALA CA . 16174 1 1789 . 2 2 93 93 ALA CB C 13 18.871 0.400 . 1 . . . . 693 ALA CB . 16174 1 1790 . 2 2 93 93 ALA N N 15 121.696 0.400 . 1 . . . . 693 ALA N . 16174 1 1791 . 2 2 94 94 LYS H H 1 8.046 0.020 . 1 . . . . 694 LYS H . 16174 1 1792 . 2 2 94 94 LYS HA H 1 4.183 0.020 . 1 . . . . 694 LYS HA . 16174 1 1793 . 2 2 94 94 LYS HB2 H 1 1.634 0.020 . 2 . . . . 694 LYS HB2 . 16174 1 1794 . 2 2 94 94 LYS HB3 H 1 1.634 0.020 . 2 . . . . 694 LYS HB3 . 16174 1 1795 . 2 2 94 94 LYS HD2 H 1 1.576 0.020 . 2 . . . . 694 LYS HD2 . 16174 1 1796 . 2 2 94 94 LYS HD3 H 1 1.576 0.020 . 2 . . . . 694 LYS HD3 . 16174 1 1797 . 2 2 94 94 LYS HE2 H 1 2.875 0.020 . 2 . . . . 694 LYS HE2 . 16174 1 1798 . 2 2 94 94 LYS HE3 H 1 2.875 0.020 . 2 . . . . 694 LYS HE3 . 16174 1 1799 . 2 2 94 94 LYS HG2 H 1 1.279 0.020 . 2 . . . . 694 LYS HG2 . 16174 1 1800 . 2 2 94 94 LYS HG3 H 1 1.217 0.020 . 2 . . . . 694 LYS HG3 . 16174 1 1801 . 2 2 94 94 LYS CA C 13 56.538 0.400 . 1 . . . . 694 LYS CA . 16174 1 1802 . 2 2 94 94 LYS CB C 13 32.860 0.400 . 1 . . . . 694 LYS CB . 16174 1 1803 . 2 2 94 94 LYS CD C 13 29.049 0.400 . 1 . . . . 694 LYS CD . 16174 1 1804 . 2 2 94 94 LYS CE C 13 41.957 0.400 . 1 . . . . 694 LYS CE . 16174 1 1805 . 2 2 94 94 LYS CG C 13 24.630 0.400 . 1 . . . . 694 LYS CG . 16174 1 1806 . 2 2 94 94 LYS N N 15 119.534 0.400 . 1 . . . . 694 LYS N . 16174 1 1807 . 2 2 95 95 TRP H H 1 8.066 0.020 . 1 . . . . 695 TRP H . 16174 1 1808 . 2 2 95 95 TRP HA H 1 4.714 0.020 . 1 . . . . 695 TRP HA . 16174 1 1809 . 2 2 95 95 TRP HB2 H 1 3.327 0.020 . 2 . . . . 695 TRP HB2 . 16174 1 1810 . 2 2 95 95 TRP HB3 H 1 3.230 0.020 . 2 . . . . 695 TRP HB3 . 16174 1 1811 . 2 2 95 95 TRP HD1 H 1 7.273 0.020 . 1 . . . . 695 TRP HD1 . 16174 1 1812 . 2 2 95 95 TRP HE1 H 1 10.158 0.020 . 1 . . . . 695 TRP HE1 . 16174 1 1813 . 2 2 95 95 TRP HE3 H 1 7.616 0.020 . 1 . . . . 695 TRP HE3 . 16174 1 1814 . 2 2 95 95 TRP HH2 H 1 7.118 0.020 . 1 . . . . 695 TRP HH2 . 16174 1 1815 . 2 2 95 95 TRP HZ2 H 1 7.453 0.020 . 1 . . . . 695 TRP HZ2 . 16174 1 1816 . 2 2 95 95 TRP HZ3 H 1 7.188 0.020 . 1 . . . . 695 TRP HZ3 . 16174 1 1817 . 2 2 95 95 TRP CA C 13 57.217 0.400 . 1 . . . . 695 TRP CA . 16174 1 1818 . 2 2 95 95 TRP CB C 13 29.637 0.400 . 1 . . . . 695 TRP CB . 16174 1 1819 . 2 2 95 95 TRP N N 15 121.757 0.400 . 1 . . . . 695 TRP N . 16174 1 1820 . 2 2 95 95 TRP NE1 N 15 129.360 0.400 . 1 . . . . 695 TRP NE1 . 16174 1 1821 . 2 2 96 96 GLY H H 1 8.133 0.020 . 1 . . . . 696 GLY H . 16174 1 1822 . 2 2 96 96 GLY HA2 H 1 3.883 0.020 . 2 . . . . 696 GLY HA2 . 16174 1 1823 . 2 2 96 96 GLY HA3 H 1 3.883 0.020 . 2 . . . . 696 GLY HA3 . 16174 1 1824 . 2 2 96 96 GLY CA C 13 45.418 0.400 . 1 . . . . 696 GLY CA . 16174 1 1825 . 2 2 96 96 GLY N N 15 111.145 0.400 . 1 . . . . 696 GLY N . 16174 1 1826 . 2 2 97 97 GLY H H 1 7.432 0.020 . 1 . . . . 697 GLY H . 16174 1 1827 . 2 2 97 97 GLY HA2 H 1 3.643 0.020 . 2 . . . . 697 GLY HA2 . 16174 1 1828 . 2 2 97 97 GLY HA3 H 1 3.643 0.020 . 2 . . . . 697 GLY HA3 . 16174 1 1829 . 2 2 97 97 GLY CA C 13 45.937 0.400 . 1 . . . . 697 GLY CA . 16174 1 1830 . 2 2 97 97 GLY N N 15 114.665 0.400 . 1 . . . . 697 GLY N . 16174 1 stop_ save_