data_25124 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25124 _Entry.Title ; Solution Structure and Chemical Shift Assignments for BeF3 activated Receiver Domain of Nitrogen Regulatory Protein C ( NtrC ) at 35C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-08-04 _Entry.Accession_date 2014-08-04 _Entry.Last_release_date 2015-06-29 _Entry.Original_release_date 2015-06-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 25 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michael Clarkson . W. . 25124 2 Francesco Pontiggia . . . 25124 3 Janice Villali . . . 25124 4 Dorothee Kern . . . 25124 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25124 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 25124 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25124 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 549 25124 '15N chemical shifts' 126 25124 '1H chemical shifts' 890 25124 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2015-06-29 . original BMRB . 25124 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 25125 'Apo form of the Receiver Domain of Nitrogen Regulatory Protein C ( NTRC ) at 35C' 25124 PDB 2MSK 'BMRB Entry Tracking System' 25124 stop_ save_ ############### # Citations # ############### save_paper1 _Citation.Sf_category citations _Citation.Sf_framecode paper1 _Citation.Entry_ID 25124 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26073309 _Citation.Full_citation . _Citation.Title ; Free energy landscape of activation in a signalling protein at atomic resolution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full . _Citation.Journal_volume 6 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 7284 _Citation.Page_last 7284 _Citation.Year 2015 _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 Francesco Pontiggia . . . 25124 1 2 Dimitar Pachov . V. . 25124 1 3 Michael Clarkson . W. . 25124 1 4 Janice Villali . . . 25124 1 5 Michael Hagan . F. . 25124 1 6 Vijay Pande . V. . 25124 1 7 Dorothee Kern . . . 25124 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25124 _Assembly.ID 1 _Assembly.Name 'BeF3 activated Receiver Domain of Nitrogen Regulatory Protein C ( NtrC ) at 35C' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Receiver_Domain_of_NtrC 1 $NtrC A . yes native no no . . . 25124 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NtrC _Entity.Sf_category entity _Entity.Sf_framecode NtrC _Entity.Entry_ID 25124 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Receiver_Domain_of_NtrC _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQRGIVWVVDDDSSIRWVLE RALAGAGLTCTTFENGNEVL AALASKTPDVLLSDIRMPGM DGLALLKQIKQRHPMLPVII MTAHSDLDAAVSAYQQGAFD YLPKPFDIDEAVALVERAIS HYQE ; _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 BEF _Entity.Nonpolymer_comp_label $chem_comp_BEF _Entity.Number_of_monomers 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13636.716 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 25125 . Receiver_Domain_of_NtrC . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25124 1 2 no BMRB 4527 . "Nitrogen regulatory protein C N-terminal receiver domain" . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25124 1 3 no BMRB 4528 . "NITROGEN REGULATION PROTEIN" . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25124 1 4 no PDB 1DC7 . 'Structure Of A Transiently Phosphorylated "switch" In Bacterial Signal Transduction' . . . . . 99.19 124 100.00 100.00 1.46e-83 . . . . 25124 1 5 no PDB 1DC8 . 'Structure Of A Transiently Phosphorylated "switch" In Bacterial Signal Transduction' . . . . . 99.19 124 99.19 99.19 1.38e-82 . . . . 25124 1 6 no PDB 1J56 . "Minimized Average Structure Of Beryllofluoride-Activated Ntrc Receiver Domain: Model Structure Incorporating Active Site Contac" . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25124 1 7 no PDB 1KRW . "Solution Structure And Backbone Dynamics Of Beryllofluoride- Activated Ntrc Receiver Domain" . . . . . 99.19 124 100.00 100.00 1.44e-83 . . . . 25124 1 8 no PDB 1KRX . "Solution Structure Of Beryllofluoride-Activated Ntrc Receiver Domain: Model Structures Incorporating Active Site Contacts" . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25124 1 9 no PDB 1NTR . "Solution Structure Of The N-Terminal Receiver Domain Of Ntrc" . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25124 1 10 no PDB 2MSK . "Solution Structure And Chemical Shift Assignments For Bef3 Activated Receiver Domain Of Nitrogen Regulatory Protein C (ntrc) At" . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25124 1 11 no PDB 2MSL . "Solution Structure And Chemical Shift Assignments For The Apo Form Of The Receiver Domain Of Nitrogen Regulatory Protein C (ntr" . . . . . 100.00 124 100.00 100.00 1.93e-84 . . . . 25124 1 12 no DBJ BAB38213 . "response regulator for gln GlnG [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25124 1 13 no DBJ BAE77441 . "fused DNA-binding response regulator in two-component regulatory system with GlnL, nitrogen regulator I (NRI) [Escherichia coli" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25124 1 14 no DBJ BAG79675 . "two-component regulator protein [Escherichia coli SE11]" . . . . . 100.00 469 98.39 98.39 1.42e-78 . . . . 25124 1 15 no DBJ BAI27885 . "fused DNA-binding response regulator GlnG in two-component regulatory system with GlnL: response regulator/sigma 54 interaction" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25124 1 16 no DBJ BAI33008 . "fused DNA-binding response regulator GlnG in two-component regulatory system with GlnL: response regulator/sigma 54 interaction" . . . . . 100.00 469 98.39 98.39 1.42e-78 . . . . 25124 1 17 no EMBL CAA28808 . "unnamed protein product [Escherichia coli K-12]" . . . . . 100.00 468 98.39 98.39 1.18e-78 . . . . 25124 1 18 no EMBL CAA59425 . "nitrogen regulatory protein C [Salmonella enterica subsp. enterica serovar Typhimurium]" . . . . . 100.00 469 100.00 100.00 2.76e-80 . . . . 25124 1 19 no EMBL CAD03095 . "Two-component system, response regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 469 99.19 99.19 2.31e-79 . . . . 25124 1 20 no EMBL CAP78325 . "Nitrogen regulation protein NR(I) [Escherichia coli LF82]" . . . . . 100.00 469 98.39 98.39 1.72e-78 . . . . 25124 1 21 no EMBL CAQ34219 . "NtrC transcriptional dual regulator, subunit of NtrC-Phosphorylated transcriptional dual regulator [Escherichia coli BL21(DE3)]" . . . . . 100.00 469 98.39 98.39 1.42e-78 . . . . 25124 1 22 no GB AAB03002 . "CG Site No. 702 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25124 1 23 no GB AAC76865 . "fused DNA-binding response regulator in two-component regulatory system with GlnL: response regulator/sigma54 interaction prote" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25124 1 24 no GB AAG59057 . "response regulator for gln (sensor glnL) (nitrogen regulator I, NRI) [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 469 98.39 98.39 9.96e-79 . . . . 25124 1 25 no GB AAL22844 . "EBP family response regulator in two-component regulatory system with GlnL [Salmonella enterica subsp. enterica serovar Typhimu" . . . . . 100.00 469 100.00 100.00 2.56e-80 . . . . 25124 1 26 no GB AAN45373 . "sensor glnL response regulator (nitrogen regulator I, NRI) [Shigella flexneri 2a str. 301]" . . . . . 100.00 469 98.39 98.39 1.40e-78 . . . . 25124 1 27 no PIR AC0950 . "Two-component system, response regulator STY3876 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 469 99.19 99.19 2.31e-79 . . . . 25124 1 28 no PIR E86074 . "hypothetical protein glnG [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 100.00 469 98.39 98.39 9.96e-79 . . . . 25124 1 29 no REF NP_312817 . "nitrogen regulation protein NR(I) [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25124 1 30 no REF NP_418304 . "fused DNA-binding response regulator in two-component regulatory system with GlnL: response regulator/sigma54 interaction prote" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25124 1 31 no REF NP_458044 . "two-component system response regulator [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 469 99.19 99.19 2.31e-79 . . . . 25124 1 32 no REF NP_462885 . "nitrogen regulation protein NR(I) [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 469 100.00 100.00 2.56e-80 . . . . 25124 1 33 no REF NP_709666 . "nitrogen regulation protein NR(I) [Shigella flexneri 2a str. 301]" . . . . . 100.00 469 98.39 98.39 1.40e-78 . . . . 25124 1 34 no SP P0AFB8 . "RecName: Full=Nitrogen regulation protein NR(I)" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25124 1 35 no SP P0AFB9 . "RecName: Full=Nitrogen regulation protein NR(I)" . . . . . 100.00 469 98.39 98.39 1.30e-78 . . . . 25124 1 36 no SP P41789 . "RecName: Full=Nitrogen regulation protein NR(I)" . . . . . 100.00 469 100.00 100.00 2.56e-80 . . . . 25124 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 1 MET . 25124 1 2 2 GLN . 25124 1 3 3 ARG . 25124 1 4 4 GLY . 25124 1 5 5 ILE . 25124 1 6 6 VAL . 25124 1 7 7 TRP . 25124 1 8 8 VAL . 25124 1 9 9 VAL . 25124 1 10 10 ASP . 25124 1 11 11 ASP . 25124 1 12 12 ASP . 25124 1 13 13 SER . 25124 1 14 14 SER . 25124 1 15 15 ILE . 25124 1 16 16 ARG . 25124 1 17 17 TRP . 25124 1 18 18 VAL . 25124 1 19 19 LEU . 25124 1 20 20 GLU . 25124 1 21 21 ARG . 25124 1 22 22 ALA . 25124 1 23 23 LEU . 25124 1 24 24 ALA . 25124 1 25 25 GLY . 25124 1 26 26 ALA . 25124 1 27 27 GLY . 25124 1 28 28 LEU . 25124 1 29 29 THR . 25124 1 30 30 CYS . 25124 1 31 31 THR . 25124 1 32 32 THR . 25124 1 33 33 PHE . 25124 1 34 34 GLU . 25124 1 35 35 ASN . 25124 1 36 36 GLY . 25124 1 37 37 ASN . 25124 1 38 38 GLU . 25124 1 39 39 VAL . 25124 1 40 40 LEU . 25124 1 41 41 ALA . 25124 1 42 42 ALA . 25124 1 43 43 LEU . 25124 1 44 44 ALA . 25124 1 45 45 SER . 25124 1 46 46 LYS . 25124 1 47 47 THR . 25124 1 48 48 PRO . 25124 1 49 49 ASP . 25124 1 50 50 VAL . 25124 1 51 51 LEU . 25124 1 52 52 LEU . 25124 1 53 53 SER . 25124 1 54 54 ASP . 25124 1 55 55 ILE . 25124 1 56 56 ARG . 25124 1 57 57 MET . 25124 1 58 58 PRO . 25124 1 59 59 GLY . 25124 1 60 60 MET . 25124 1 61 61 ASP . 25124 1 62 62 GLY . 25124 1 63 63 LEU . 25124 1 64 64 ALA . 25124 1 65 65 LEU . 25124 1 66 66 LEU . 25124 1 67 67 LYS . 25124 1 68 68 GLN . 25124 1 69 69 ILE . 25124 1 70 70 LYS . 25124 1 71 71 GLN . 25124 1 72 72 ARG . 25124 1 73 73 HIS . 25124 1 74 74 PRO . 25124 1 75 75 MET . 25124 1 76 76 LEU . 25124 1 77 77 PRO . 25124 1 78 78 VAL . 25124 1 79 79 ILE . 25124 1 80 80 ILE . 25124 1 81 81 MET . 25124 1 82 82 THR . 25124 1 83 83 ALA . 25124 1 84 84 HIS . 25124 1 85 85 SER . 25124 1 86 86 ASP . 25124 1 87 87 LEU . 25124 1 88 88 ASP . 25124 1 89 89 ALA . 25124 1 90 90 ALA . 25124 1 91 91 VAL . 25124 1 92 92 SER . 25124 1 93 93 ALA . 25124 1 94 94 TYR . 25124 1 95 95 GLN . 25124 1 96 96 GLN . 25124 1 97 97 GLY . 25124 1 98 98 ALA . 25124 1 99 99 PHE . 25124 1 100 100 ASP . 25124 1 101 101 TYR . 25124 1 102 102 LEU . 25124 1 103 103 PRO . 25124 1 104 104 LYS . 25124 1 105 105 PRO . 25124 1 106 106 PHE . 25124 1 107 107 ASP . 25124 1 108 108 ILE . 25124 1 109 109 ASP . 25124 1 110 110 GLU . 25124 1 111 111 ALA . 25124 1 112 112 VAL . 25124 1 113 113 ALA . 25124 1 114 114 LEU . 25124 1 115 115 VAL . 25124 1 116 116 GLU . 25124 1 117 117 ARG . 25124 1 118 118 ALA . 25124 1 119 119 ILE . 25124 1 120 120 SER . 25124 1 121 121 HIS . 25124 1 122 122 TYR . 25124 1 123 123 GLN . 25124 1 124 124 GLU . 25124 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 25124 1 . GLN 2 2 25124 1 . ARG 3 3 25124 1 . GLY 4 4 25124 1 . ILE 5 5 25124 1 . VAL 6 6 25124 1 . TRP 7 7 25124 1 . VAL 8 8 25124 1 . VAL 9 9 25124 1 . ASP 10 10 25124 1 . ASP 11 11 25124 1 . ASP 12 12 25124 1 . SER 13 13 25124 1 . SER 14 14 25124 1 . ILE 15 15 25124 1 . ARG 16 16 25124 1 . TRP 17 17 25124 1 . VAL 18 18 25124 1 . LEU 19 19 25124 1 . GLU 20 20 25124 1 . ARG 21 21 25124 1 . ALA 22 22 25124 1 . LEU 23 23 25124 1 . ALA 24 24 25124 1 . GLY 25 25 25124 1 . ALA 26 26 25124 1 . GLY 27 27 25124 1 . LEU 28 28 25124 1 . THR 29 29 25124 1 . CYS 30 30 25124 1 . THR 31 31 25124 1 . THR 32 32 25124 1 . PHE 33 33 25124 1 . GLU 34 34 25124 1 . ASN 35 35 25124 1 . GLY 36 36 25124 1 . ASN 37 37 25124 1 . GLU 38 38 25124 1 . VAL 39 39 25124 1 . LEU 40 40 25124 1 . ALA 41 41 25124 1 . ALA 42 42 25124 1 . LEU 43 43 25124 1 . ALA 44 44 25124 1 . SER 45 45 25124 1 . LYS 46 46 25124 1 . THR 47 47 25124 1 . PRO 48 48 25124 1 . ASP 49 49 25124 1 . VAL 50 50 25124 1 . LEU 51 51 25124 1 . LEU 52 52 25124 1 . SER 53 53 25124 1 . ASP 54 54 25124 1 . ILE 55 55 25124 1 . ARG 56 56 25124 1 . MET 57 57 25124 1 . PRO 58 58 25124 1 . GLY 59 59 25124 1 . MET 60 60 25124 1 . ASP 61 61 25124 1 . GLY 62 62 25124 1 . LEU 63 63 25124 1 . ALA 64 64 25124 1 . LEU 65 65 25124 1 . LEU 66 66 25124 1 . LYS 67 67 25124 1 . GLN 68 68 25124 1 . ILE 69 69 25124 1 . LYS 70 70 25124 1 . GLN 71 71 25124 1 . ARG 72 72 25124 1 . HIS 73 73 25124 1 . PRO 74 74 25124 1 . MET 75 75 25124 1 . LEU 76 76 25124 1 . PRO 77 77 25124 1 . VAL 78 78 25124 1 . ILE 79 79 25124 1 . ILE 80 80 25124 1 . MET 81 81 25124 1 . THR 82 82 25124 1 . ALA 83 83 25124 1 . HIS 84 84 25124 1 . SER 85 85 25124 1 . ASP 86 86 25124 1 . LEU 87 87 25124 1 . ASP 88 88 25124 1 . ALA 89 89 25124 1 . ALA 90 90 25124 1 . VAL 91 91 25124 1 . SER 92 92 25124 1 . ALA 93 93 25124 1 . TYR 94 94 25124 1 . GLN 95 95 25124 1 . GLN 96 96 25124 1 . GLY 97 97 25124 1 . ALA 98 98 25124 1 . PHE 99 99 25124 1 . ASP 100 100 25124 1 . TYR 101 101 25124 1 . LEU 102 102 25124 1 . PRO 103 103 25124 1 . LYS 104 104 25124 1 . PRO 105 105 25124 1 . PHE 106 106 25124 1 . ASP 107 107 25124 1 . ILE 108 108 25124 1 . ASP 109 109 25124 1 . GLU 110 110 25124 1 . ALA 111 111 25124 1 . VAL 112 112 25124 1 . ALA 113 113 25124 1 . LEU 114 114 25124 1 . VAL 115 115 25124 1 . GLU 116 116 25124 1 . ARG 117 117 25124 1 . ALA 118 118 25124 1 . ILE 119 119 25124 1 . SER 120 120 25124 1 . HIS 121 121 25124 1 . TYR 122 122 25124 1 . GLN 123 123 25124 1 . GLU 124 124 25124 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 25124 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $NtrC . 90371 organism . 'Salmonella typhimurium' salmonella . . Bacteria . Salmonella typhimurium . . . . . . . . . . . 'glnG ntrC STM4005' . 25124 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 25124 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $NtrC . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET-7 . . . 25124 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_BEF _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_BEF _Chem_comp.Entry_ID 25124 _Chem_comp.ID BEF _Chem_comp.Provenance PDB _Chem_comp.Name 'BERYLLIUM TRIFLUORIDE ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code BEF _Chem_comp.PDB_code BEF _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code BEF _Chem_comp.Number_atoms_all 4 _Chem_comp.Number_atoms_nh 4 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge -1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'Be F3' _Chem_comp.Formula_weight 66.007 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1LVK _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID F[Be-](F)F SMILES ACDLabs 10.04 25124 BEF F[Be-](F)F SMILES CACTVS 3.341 25124 BEF F[Be-](F)F SMILES_CANONICAL CACTVS 3.341 25124 BEF InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3 InChI InChI 1.03 25124 BEF OGIAHMCCNXDTIE-UHFFFAOYSA-K InChIKey InChI 1.03 25124 BEF [Be-](F)(F)F SMILES 'OpenEye OEToolkits' 1.5.0 25124 BEF [Be-](F)(F)F SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 25124 BEF stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID trifluoroberyllate(1-) 'SYSTEMATIC NAME' ACDLabs 10.04 25124 BEF trifluoroberyllium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 25124 BEF stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID BE BE BE BE . BE . . N -1 . . . 0 no no . . . . 32.595 . 58.188 . 22.992 . . . . 1 . 25124 BEF F1 F1 F1 F1 . F . . N 0 . . . 1 no no . . . . 31.324 . 57.364 . 23.232 . . . . 2 . 25124 BEF F2 F2 F2 F2 . F . . N 0 . . . 1 no no . . . . 33.110 . 58.885 . 24.291 . . . . 3 . 25124 BEF F3 F3 F3 F3 . F . . N 0 . . . 1 no no . . . . 32.321 . 59.297 . 21.951 . . . . 4 . 25124 BEF stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING BE F1 no N 1 . 25124 BEF 2 . SING BE F2 no N 2 . 25124 BEF 3 . SING BE F3 no N 3 . 25124 BEF stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25124 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'Receiver Domain of NtrC' '[U-100% 13C; U-100% 15N]' . . 1 $NtrC . . 0.3 . . mM . . . . 25124 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25124 1 3 'beryllium chloride' 'natural abundance' . . . . . . 4.4 . . mM . . . . 25124 1 4 'sodium fluoride' 'natural abundance' . . . . . . 29 . . mM . . . . 25124 1 5 'magnesium chloride' 'natural abundance' . . . . . . 7.2 . . mM . . . . 25124 1 6 H20 'natural abundance' . . . . . . 93 . . % . . . . 25124 1 7 D20 'natural abundance' . . . . . . 7 . . % . . . . 25124 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25124 _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' 50 . mM 25124 1 pH 6.75 . pH 25124 1 pressure 1 . atm 25124 1 temperature 273 . K 25124 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25124 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 25124 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 25124 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25124 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Professor Kurt W thrich' . . 25124 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25124 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25124 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25124 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25124 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25124 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25124 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25124 4 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 25124 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25124 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25124 _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 Agilent INOVA . 600 . . . 25124 1 2 spectrometer_2 Bruker Avance . 800 . . . 25124 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 25124 _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 . . . . . . . . . . . . . . . . . . . . . 25124 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25124 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25124 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25124 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25124 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25124 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25124 1 8 '3D HCCH3-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25124 1 9 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25124 1 10 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25124 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25124 1 12 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25124 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25124 1 14 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25124 1 15 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25124 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 25124 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25124 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25124 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25124 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25124 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25124 1 2 '3D HNCO' . . . 25124 1 3 '3D HNCACB' . . . 25124 1 4 '3D CBCA(CO)NH' . . . 25124 1 5 '3D H(CCO)NH' . . . 25124 1 6 '3D C(CO)NH' . . . 25124 1 7 '3D HCCH-TOCSY' . . . 25124 1 8 '3D HCCH3-TOCSY' . . . 25124 1 9 '2D (HB)CB(CGCD)HD' . . . 25124 1 10 '2D (HB)CB(CGCDCE)HE' . . . 25124 1 11 '3D 1H-15N NOESY' . . . 25124 1 12 '3D 1H-13C NOESY aliphatic' . . . 25124 1 13 '3D 1H-13C NOESY aromatic' . . . 25124 1 14 '2D 1H-13C HSQC aliphatic' . . . 25124 1 15 '2D 1H-13C HSQC aromatic' . . . 25124 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 HA H 1 4.402 0.020 . 1 . . . A 1 MET HA . 25124 1 2 . 1 1 1 1 MET HE1 H 1 2.072 0.020 . 1 . . . A 1 MET HE1 . 25124 1 3 . 1 1 1 1 MET HE2 H 1 2.072 0.020 . 1 . . . A 1 MET HE2 . 25124 1 4 . 1 1 1 1 MET HE3 H 1 2.072 0.020 . 1 . . . A 1 MET HE3 . 25124 1 5 . 1 1 1 1 MET CE C 13 16.899 0.3 . 1 . . . A 1 MET CE . 25124 1 6 . 1 1 2 2 GLN HA H 1 4.453 0.020 . 1 . . . A 2 GLN HA . 25124 1 7 . 1 1 2 2 GLN HB2 H 1 2.053 0.020 . 1 . . . A 2 GLN HB2 . 25124 1 8 . 1 1 2 2 GLN HB3 H 1 2.053 0.020 . 1 . . . A 2 GLN HB3 . 25124 1 9 . 1 1 2 2 GLN HG2 H 1 2.314 0.020 . 1 . . . A 2 GLN HG2 . 25124 1 10 . 1 1 2 2 GLN HG3 H 1 2.314 0.020 . 1 . . . A 2 GLN HG3 . 25124 1 11 . 1 1 2 2 GLN HE21 H 1 6.854 0.020 . 1 . . . A 2 GLN HE21 . 25124 1 12 . 1 1 2 2 GLN HE22 H 1 7.533 0.020 . 1 . . . A 2 GLN HE22 . 25124 1 13 . 1 1 2 2 GLN C C 13 174.930 0.3 . 1 . . . A 2 GLN C . 25124 1 14 . 1 1 2 2 GLN CA C 13 55.627 0.3 . 1 . . . A 2 GLN CA . 25124 1 15 . 1 1 2 2 GLN CB C 13 29.312 0.3 . 1 . . . A 2 GLN CB . 25124 1 16 . 1 1 2 2 GLN CG C 13 33.820 0.3 . 1 . . . A 2 GLN CG . 25124 1 17 . 1 1 2 2 GLN NE2 N 15 111.966 0.3 . 1 . . . A 2 GLN NE2 . 25124 1 18 . 1 1 3 3 ARG H H 1 8.451 0.020 . 1 . . . A 3 ARG H . 25124 1 19 . 1 1 3 3 ARG HA H 1 4.390 0.020 . 1 . . . A 3 ARG HA . 25124 1 20 . 1 1 3 3 ARG HB2 H 1 1.807 0.020 . 2 . . . A 3 ARG HB2 . 25124 1 21 . 1 1 3 3 ARG HB3 H 1 1.708 0.020 . 2 . . . A 3 ARG HB3 . 25124 1 22 . 1 1 3 3 ARG HG2 H 1 1.639 0.020 . 1 . . . A 3 ARG HG2 . 25124 1 23 . 1 1 3 3 ARG HG3 H 1 1.639 0.020 . 1 . . . A 3 ARG HG3 . 25124 1 24 . 1 1 3 3 ARG HD2 H 1 3.136 0.020 . 1 . . . A 3 ARG HD2 . 25124 1 25 . 1 1 3 3 ARG HD3 H 1 3.136 0.020 . 1 . . . A 3 ARG HD3 . 25124 1 26 . 1 1 3 3 ARG C C 13 175.723 0.3 . 1 . . . A 3 ARG C . 25124 1 27 . 1 1 3 3 ARG CA C 13 56.041 0.3 . 1 . . . A 3 ARG CA . 25124 1 28 . 1 1 3 3 ARG CB C 13 31.395 0.3 . 1 . . . A 3 ARG CB . 25124 1 29 . 1 1 3 3 ARG CG C 13 27.314 0.3 . 1 . . . A 3 ARG CG . 25124 1 30 . 1 1 3 3 ARG CD C 13 43.299 0.3 . 1 . . . A 3 ARG CD . 25124 1 31 . 1 1 3 3 ARG N N 15 121.349 0.3 . 1 . . . A 3 ARG N . 25124 1 32 . 1 1 4 4 GLY H H 1 8.037 0.020 . 1 . . . A 4 GLY H . 25124 1 33 . 1 1 4 4 GLY HA2 H 1 3.960 0.020 . 2 . . . A 4 GLY HA2 . 25124 1 34 . 1 1 4 4 GLY HA3 H 1 3.856 0.020 . 2 . . . A 4 GLY HA3 . 25124 1 35 . 1 1 4 4 GLY C C 13 171.122 0.3 . 1 . . . A 4 GLY C . 25124 1 36 . 1 1 4 4 GLY CA C 13 45.333 0.3 . 1 . . . A 4 GLY CA . 25124 1 37 . 1 1 4 4 GLY N N 15 107.889 0.3 . 1 . . . A 4 GLY N . 25124 1 38 . 1 1 5 5 ILE H H 1 9.605 0.020 . 1 . . . A 5 ILE H . 25124 1 39 . 1 1 5 5 ILE HA H 1 4.731 0.020 . 1 . . . A 5 ILE HA . 25124 1 40 . 1 1 5 5 ILE HB H 1 1.592 0.020 . 1 . . . A 5 ILE HB . 25124 1 41 . 1 1 5 5 ILE HG12 H 1 1.020 0.020 . 1 . . . A 5 ILE HG12 . 25124 1 42 . 1 1 5 5 ILE HG13 H 1 1.020 0.020 . 1 . . . A 5 ILE HG13 . 25124 1 43 . 1 1 5 5 ILE HG21 H 1 0.897 0.020 . 1 . . . A 5 ILE HG21 . 25124 1 44 . 1 1 5 5 ILE HG22 H 1 0.897 0.020 . 1 . . . A 5 ILE HG22 . 25124 1 45 . 1 1 5 5 ILE HG23 H 1 0.897 0.020 . 1 . . . A 5 ILE HG23 . 25124 1 46 . 1 1 5 5 ILE HD11 H 1 0.899 0.020 . 1 . . . A 5 ILE HD11 . 25124 1 47 . 1 1 5 5 ILE HD12 H 1 0.899 0.020 . 1 . . . A 5 ILE HD12 . 25124 1 48 . 1 1 5 5 ILE HD13 H 1 0.899 0.020 . 1 . . . A 5 ILE HD13 . 25124 1 49 . 1 1 5 5 ILE C C 13 175.459 0.3 . 1 . . . A 5 ILE C . 25124 1 50 . 1 1 5 5 ILE CA C 13 60.614 0.3 . 1 . . . A 5 ILE CA . 25124 1 51 . 1 1 5 5 ILE CB C 13 39.535 0.3 . 1 . . . A 5 ILE CB . 25124 1 52 . 1 1 5 5 ILE CG1 C 13 27.382 0.3 . 1 . . . A 5 ILE CG1 . 25124 1 53 . 1 1 5 5 ILE CG2 C 13 18.394 0.3 . 1 . . . A 5 ILE CG2 . 25124 1 54 . 1 1 5 5 ILE CD1 C 13 13.490 0.3 . 1 . . . A 5 ILE CD1 . 25124 1 55 . 1 1 5 5 ILE N N 15 122.674 0.3 . 1 . . . A 5 ILE N . 25124 1 56 . 1 1 6 6 VAL H H 1 9.135 0.020 . 1 . . . A 6 VAL H . 25124 1 57 . 1 1 6 6 VAL HA H 1 4.892 0.020 . 1 . . . A 6 VAL HA . 25124 1 58 . 1 1 6 6 VAL HB H 1 1.835 0.020 . 1 . . . A 6 VAL HB . 25124 1 59 . 1 1 6 6 VAL HG11 H 1 0.856 0.020 . 2 . . . A 6 VAL HG11 . 25124 1 60 . 1 1 6 6 VAL HG12 H 1 0.856 0.020 . 2 . . . A 6 VAL HG12 . 25124 1 61 . 1 1 6 6 VAL HG13 H 1 0.856 0.020 . 2 . . . A 6 VAL HG13 . 25124 1 62 . 1 1 6 6 VAL HG21 H 1 0.798 0.020 . 2 . . . A 6 VAL HG21 . 25124 1 63 . 1 1 6 6 VAL HG22 H 1 0.798 0.020 . 2 . . . A 6 VAL HG22 . 25124 1 64 . 1 1 6 6 VAL HG23 H 1 0.798 0.020 . 2 . . . A 6 VAL HG23 . 25124 1 65 . 1 1 6 6 VAL C C 13 174.110 0.3 . 1 . . . A 6 VAL C . 25124 1 66 . 1 1 6 6 VAL CA C 13 59.255 0.3 . 1 . . . A 6 VAL CA . 25124 1 67 . 1 1 6 6 VAL CB C 13 34.530 0.3 . 1 . . . A 6 VAL CB . 25124 1 68 . 1 1 6 6 VAL CG1 C 13 21.571 0.3 . 1 . . . A 6 VAL CG1 . 25124 1 69 . 1 1 6 6 VAL CG2 C 13 21.993 0.3 . 1 . . . A 6 VAL CG2 . 25124 1 70 . 1 1 6 6 VAL N N 15 127.532 0.3 . 1 . . . A 6 VAL N . 25124 1 71 . 1 1 7 7 TRP H H 1 8.544 0.020 . 1 . . . A 7 TRP H . 25124 1 72 . 1 1 7 7 TRP HA H 1 6.447 0.020 . 1 . . . A 7 TRP HA . 25124 1 73 . 1 1 7 7 TRP HB2 H 1 3.137 0.020 . 2 . . . A 7 TRP HB2 . 25124 1 74 . 1 1 7 7 TRP HB3 H 1 3.087 0.020 . 2 . . . A 7 TRP HB3 . 25124 1 75 . 1 1 7 7 TRP HD1 H 1 7.175 0.020 . 1 . . . A 7 TRP HD1 . 25124 1 76 . 1 1 7 7 TRP HE1 H 1 10.140 0.020 . 1 . . . A 7 TRP HE1 . 25124 1 77 . 1 1 7 7 TRP HE3 H 1 6.904 0.020 . 1 . . . A 7 TRP HE3 . 25124 1 78 . 1 1 7 7 TRP HZ2 H 1 7.145 0.020 . 1 . . . A 7 TRP HZ2 . 25124 1 79 . 1 1 7 7 TRP HZ3 H 1 6.832 0.020 . 1 . . . A 7 TRP HZ3 . 25124 1 80 . 1 1 7 7 TRP HH2 H 1 6.944 0.020 . 1 . . . A 7 TRP HH2 . 25124 1 81 . 1 1 7 7 TRP C C 13 175.089 0.3 . 1 . . . A 7 TRP C . 25124 1 82 . 1 1 7 7 TRP CA C 13 52.797 0.3 . 1 . . . A 7 TRP CA . 25124 1 83 . 1 1 7 7 TRP CB C 13 33.255 0.3 . 1 . . . A 7 TRP CB . 25124 1 84 . 1 1 7 7 TRP CD1 C 13 123.428 0.3 . 1 . . . A 7 TRP CD1 . 25124 1 85 . 1 1 7 7 TRP CE3 C 13 119.922 0.3 . 1 . . . A 7 TRP CE3 . 25124 1 86 . 1 1 7 7 TRP CZ2 C 13 113.523 0.3 . 1 . . . A 7 TRP CZ2 . 25124 1 87 . 1 1 7 7 TRP CZ3 C 13 121.950 0.3 . 1 . . . A 7 TRP CZ3 . 25124 1 88 . 1 1 7 7 TRP CH2 C 13 126.160 0.3 . 1 . . . A 7 TRP CH2 . 25124 1 89 . 1 1 7 7 TRP N N 15 127.409 0.3 . 1 . . . A 7 TRP N . 25124 1 90 . 1 1 7 7 TRP NE1 N 15 127.244 0.3 . 1 . . . A 7 TRP NE1 . 25124 1 91 . 1 1 8 8 VAL H H 1 8.643 0.020 . 1 . . . A 8 VAL H . 25124 1 92 . 1 1 8 8 VAL HA H 1 5.135 0.020 . 1 . . . A 8 VAL HA . 25124 1 93 . 1 1 8 8 VAL HB H 1 1.787 0.020 . 1 . . . A 8 VAL HB . 25124 1 94 . 1 1 8 8 VAL HG11 H 1 0.854 0.020 . 2 . . . A 8 VAL HG11 . 25124 1 95 . 1 1 8 8 VAL HG12 H 1 0.854 0.020 . 2 . . . A 8 VAL HG12 . 25124 1 96 . 1 1 8 8 VAL HG13 H 1 0.854 0.020 . 2 . . . A 8 VAL HG13 . 25124 1 97 . 1 1 8 8 VAL HG21 H 1 0.863 0.020 . 2 . . . A 8 VAL HG21 . 25124 1 98 . 1 1 8 8 VAL HG22 H 1 0.863 0.020 . 2 . . . A 8 VAL HG22 . 25124 1 99 . 1 1 8 8 VAL HG23 H 1 0.863 0.020 . 2 . . . A 8 VAL HG23 . 25124 1 100 . 1 1 8 8 VAL C C 13 173.820 0.3 . 1 . . . A 8 VAL C . 25124 1 101 . 1 1 8 8 VAL CA C 13 60.457 0.3 . 1 . . . A 8 VAL CA . 25124 1 102 . 1 1 8 8 VAL CB C 13 35.893 0.3 . 1 . . . A 8 VAL CB . 25124 1 103 . 1 1 8 8 VAL CG1 C 13 21.601 0.3 . 1 . . . A 8 VAL CG1 . 25124 1 104 . 1 1 8 8 VAL CG2 C 13 22.083 0.3 . 1 . . . A 8 VAL CG2 . 25124 1 105 . 1 1 8 8 VAL N N 15 122.270 0.3 . 1 . . . A 8 VAL N . 25124 1 106 . 1 1 9 9 VAL H H 1 9.113 0.020 . 1 . . . A 9 VAL H . 25124 1 107 . 1 1 9 9 VAL HA H 1 5.192 0.020 . 1 . . . A 9 VAL HA . 25124 1 108 . 1 1 9 9 VAL HB H 1 1.823 0.020 . 1 . . . A 9 VAL HB . 25124 1 109 . 1 1 9 9 VAL HG11 H 1 1.012 0.020 . 2 . . . A 9 VAL HG11 . 25124 1 110 . 1 1 9 9 VAL HG12 H 1 1.012 0.020 . 2 . . . A 9 VAL HG12 . 25124 1 111 . 1 1 9 9 VAL HG13 H 1 1.012 0.020 . 2 . . . A 9 VAL HG13 . 25124 1 112 . 1 1 9 9 VAL HG21 H 1 0.664 0.020 . 2 . . . A 9 VAL HG21 . 25124 1 113 . 1 1 9 9 VAL HG22 H 1 0.664 0.020 . 2 . . . A 9 VAL HG22 . 25124 1 114 . 1 1 9 9 VAL HG23 H 1 0.664 0.020 . 2 . . . A 9 VAL HG23 . 25124 1 115 . 1 1 9 9 VAL C C 13 172.550 0.3 . 1 . . . A 9 VAL C . 25124 1 116 . 1 1 9 9 VAL CA C 13 58.384 0.3 . 1 . . . A 9 VAL CA . 25124 1 117 . 1 1 9 9 VAL CB C 13 34.135 0.3 . 1 . . . A 9 VAL CB . 25124 1 118 . 1 1 9 9 VAL CG1 C 13 20.227 0.3 . 1 . . . A 9 VAL CG1 . 25124 1 119 . 1 1 9 9 VAL CG2 C 13 21.469 0.3 . 1 . . . A 9 VAL CG2 . 25124 1 120 . 1 1 9 9 VAL N N 15 126.806 0.3 . 1 . . . A 9 VAL N . 25124 1 121 . 1 1 10 10 ASP H H 1 7.881 0.020 . 1 . . . A 10 ASP H . 25124 1 122 . 1 1 10 10 ASP HA H 1 4.554 0.020 . 1 . . . A 10 ASP HA . 25124 1 123 . 1 1 10 10 ASP HB2 H 1 2.507 0.020 . 2 . . . A 10 ASP HB2 . 25124 1 124 . 1 1 10 10 ASP HB3 H 1 2.350 0.020 . 2 . . . A 10 ASP HB3 . 25124 1 125 . 1 1 10 10 ASP C C 13 174.877 0.3 . 1 . . . A 10 ASP C . 25124 1 126 . 1 1 10 10 ASP CA C 13 55.066 0.3 . 1 . . . A 10 ASP CA . 25124 1 127 . 1 1 10 10 ASP CB C 13 44.131 0.3 . 1 . . . A 10 ASP CB . 25124 1 128 . 1 1 10 10 ASP N N 15 125.011 0.3 . 1 . . . A 10 ASP N . 25124 1 129 . 1 1 11 11 ASP H H 1 9.166 0.020 . 1 . . . A 11 ASP H . 25124 1 130 . 1 1 11 11 ASP HA H 1 4.613 0.020 . 1 . . . A 11 ASP HA . 25124 1 131 . 1 1 11 11 ASP HB2 H 1 2.964 0.020 . 2 . . . A 11 ASP HB2 . 25124 1 132 . 1 1 11 11 ASP HB3 H 1 2.799 0.020 . 2 . . . A 11 ASP HB3 . 25124 1 133 . 1 1 11 11 ASP C C 13 175.089 0.3 . 1 . . . A 11 ASP C . 25124 1 134 . 1 1 11 11 ASP CA C 13 55.346 0.3 . 1 . . . A 11 ASP CA . 25124 1 135 . 1 1 11 11 ASP CB C 13 39.583 0.3 . 1 . . . A 11 ASP CB . 25124 1 136 . 1 1 11 11 ASP N N 15 124.048 0.3 . 1 . . . A 11 ASP N . 25124 1 137 . 1 1 12 12 ASP H H 1 10.290 0.020 . 1 . . . A 12 ASP H . 25124 1 138 . 1 1 12 12 ASP HA H 1 4.757 0.020 . 1 . . . A 12 ASP HA . 25124 1 139 . 1 1 12 12 ASP HB2 H 1 3.025 0.020 . 2 . . . A 12 ASP HB2 . 25124 1 140 . 1 1 12 12 ASP HB3 H 1 2.561 0.020 . 2 . . . A 12 ASP HB3 . 25124 1 141 . 1 1 12 12 ASP C C 13 176.993 0.3 . 1 . . . A 12 ASP C . 25124 1 142 . 1 1 12 12 ASP CA C 13 53.112 0.3 . 1 . . . A 12 ASP CA . 25124 1 143 . 1 1 12 12 ASP CB C 13 41.072 0.3 . 1 . . . A 12 ASP CB . 25124 1 144 . 1 1 12 12 ASP N N 15 125.165 0.3 . 1 . . . A 12 ASP N . 25124 1 145 . 1 1 13 13 SER H H 1 8.993 0.020 . 1 . . . A 13 SER H . 25124 1 146 . 1 1 13 13 SER HA H 1 3.719 0.020 . 1 . . . A 13 SER HA . 25124 1 147 . 1 1 13 13 SER HB2 H 1 3.873 0.020 . 2 . . . A 13 SER HB2 . 25124 1 148 . 1 1 13 13 SER HB3 H 1 3.787 0.020 . 2 . . . A 13 SER HB3 . 25124 1 149 . 1 1 13 13 SER C C 13 176.146 0.3 . 1 . . . A 13 SER C . 25124 1 150 . 1 1 13 13 SER CA C 13 61.341 0.3 . 1 . . . A 13 SER CA . 25124 1 151 . 1 1 13 13 SER CB C 13 62.638 0.3 . 1 . . . A 13 SER CB . 25124 1 152 . 1 1 13 13 SER N N 15 123.818 0.3 . 1 . . . A 13 SER N . 25124 1 153 . 1 1 14 14 SER H H 1 8.499 0.020 . 1 . . . A 14 SER H . 25124 1 154 . 1 1 14 14 SER HA H 1 4.322 0.020 . 1 . . . A 14 SER HA . 25124 1 155 . 1 1 14 14 SER HB2 H 1 3.968 0.020 . 1 . . . A 14 SER HB2 . 25124 1 156 . 1 1 14 14 SER HB3 H 1 3.968 0.020 . 1 . . . A 14 SER HB3 . 25124 1 157 . 1 1 14 14 SER C C 13 176.411 0.3 . 1 . . . A 14 SER C . 25124 1 158 . 1 1 14 14 SER CA C 13 61.717 0.3 . 1 . . . A 14 SER CA . 25124 1 159 . 1 1 14 14 SER CB C 13 62.554 0.3 . 1 . . . A 14 SER CB . 25124 1 160 . 1 1 14 14 SER N N 15 118.714 0.3 . 1 . . . A 14 SER N . 25124 1 161 . 1 1 15 15 ILE H H 1 7.011 0.020 . 1 . . . A 15 ILE H . 25124 1 162 . 1 1 15 15 ILE HA H 1 3.972 0.020 . 1 . . . A 15 ILE HA . 25124 1 163 . 1 1 15 15 ILE HB H 1 2.115 0.020 . 1 . . . A 15 ILE HB . 25124 1 164 . 1 1 15 15 ILE HG12 H 1 1.522 0.020 . 2 . . . A 15 ILE HG12 . 25124 1 165 . 1 1 15 15 ILE HG13 H 1 1.279 0.020 . 2 . . . A 15 ILE HG13 . 25124 1 166 . 1 1 15 15 ILE HG21 H 1 0.951 0.020 . 1 . . . A 15 ILE HG21 . 25124 1 167 . 1 1 15 15 ILE HG22 H 1 0.951 0.020 . 1 . . . A 15 ILE HG22 . 25124 1 168 . 1 1 15 15 ILE HG23 H 1 0.951 0.020 . 1 . . . A 15 ILE HG23 . 25124 1 169 . 1 1 15 15 ILE HD11 H 1 0.622 0.020 . 1 . . . A 15 ILE HD11 . 25124 1 170 . 1 1 15 15 ILE HD12 H 1 0.622 0.020 . 1 . . . A 15 ILE HD12 . 25124 1 171 . 1 1 15 15 ILE HD13 H 1 0.622 0.020 . 1 . . . A 15 ILE HD13 . 25124 1 172 . 1 1 15 15 ILE C C 13 177.786 0.3 . 1 . . . A 15 ILE C . 25124 1 173 . 1 1 15 15 ILE CA C 13 60.784 0.3 . 1 . . . A 15 ILE CA . 25124 1 174 . 1 1 15 15 ILE CB C 13 36.016 0.3 . 1 . . . A 15 ILE CB . 25124 1 175 . 1 1 15 15 ILE CG1 C 13 26.977 0.3 . 1 . . . A 15 ILE CG1 . 25124 1 176 . 1 1 15 15 ILE CG2 C 13 17.697 0.3 . 1 . . . A 15 ILE CG2 . 25124 1 177 . 1 1 15 15 ILE CD1 C 13 8.843 0.3 . 1 . . . A 15 ILE CD1 . 25124 1 178 . 1 1 15 15 ILE N N 15 122.822 0.3 . 1 . . . A 15 ILE N . 25124 1 179 . 1 1 16 16 ARG H H 1 7.370 0.020 . 1 . . . A 16 ARG H . 25124 1 180 . 1 1 16 16 ARG HA H 1 3.711 0.020 . 1 . . . A 16 ARG HA . 25124 1 181 . 1 1 16 16 ARG HB2 H 1 2.039 0.020 . 2 . . . A 16 ARG HB2 . 25124 1 182 . 1 1 16 16 ARG HB3 H 1 1.708 0.020 . 2 . . . A 16 ARG HB3 . 25124 1 183 . 1 1 16 16 ARG HG2 H 1 1.015 0.020 . 1 . . . A 16 ARG HG2 . 25124 1 184 . 1 1 16 16 ARG HG3 H 1 1.015 0.020 . 1 . . . A 16 ARG HG3 . 25124 1 185 . 1 1 16 16 ARG HD2 H 1 4.003 0.020 . 2 . . . A 16 ARG HD2 . 25124 1 186 . 1 1 16 16 ARG HD3 H 1 2.910 0.020 . 2 . . . A 16 ARG HD3 . 25124 1 187 . 1 1 16 16 ARG C C 13 177.336 0.3 . 1 . . . A 16 ARG C . 25124 1 188 . 1 1 16 16 ARG CA C 13 61.632 0.3 . 1 . . . A 16 ARG CA . 25124 1 189 . 1 1 16 16 ARG CB C 13 30.520 0.3 . 1 . . . A 16 ARG CB . 25124 1 190 . 1 1 16 16 ARG CG C 13 29.220 0.3 . 1 . . . A 16 ARG CG . 25124 1 191 . 1 1 16 16 ARG CD C 13 43.893 0.3 . 1 . . . A 16 ARG CD . 25124 1 192 . 1 1 16 16 ARG N N 15 116.580 0.3 . 1 . . . A 16 ARG N . 25124 1 193 . 1 1 17 17 TRP H H 1 8.020 0.020 . 1 . . . A 17 TRP H . 25124 1 194 . 1 1 17 17 TRP HA H 1 4.481 0.020 . 1 . . . A 17 TRP HA . 25124 1 195 . 1 1 17 17 TRP HB2 H 1 3.436 0.020 . 2 . . . A 17 TRP HB2 . 25124 1 196 . 1 1 17 17 TRP HB3 H 1 3.332 0.020 . 2 . . . A 17 TRP HB3 . 25124 1 197 . 1 1 17 17 TRP HD1 H 1 7.255 0.020 . 1 . . . A 17 TRP HD1 . 25124 1 198 . 1 1 17 17 TRP HE1 H 1 10.060 0.020 . 1 . . . A 17 TRP HE1 . 25124 1 199 . 1 1 17 17 TRP HE3 H 1 7.585 0.020 . 1 . . . A 17 TRP HE3 . 25124 1 200 . 1 1 17 17 TRP HZ2 H 1 7.416 0.020 . 1 . . . A 17 TRP HZ2 . 25124 1 201 . 1 1 17 17 TRP HZ3 H 1 7.085 0.020 . 1 . . . A 17 TRP HZ3 . 25124 1 202 . 1 1 17 17 TRP HH2 H 1 7.150 0.020 . 1 . . . A 17 TRP HH2 . 25124 1 203 . 1 1 17 17 TRP C C 13 178.394 0.3 . 1 . . . A 17 TRP C . 25124 1 204 . 1 1 17 17 TRP CA C 13 60.482 0.3 . 1 . . . A 17 TRP CA . 25124 1 205 . 1 1 17 17 TRP CB C 13 29.372 0.3 . 1 . . . A 17 TRP CB . 25124 1 206 . 1 1 17 17 TRP CD1 C 13 127.300 0.3 . 1 . . . A 17 TRP CD1 . 25124 1 207 . 1 1 17 17 TRP CE3 C 13 120.964 0.3 . 1 . . . A 17 TRP CE3 . 25124 1 208 . 1 1 17 17 TRP CZ2 C 13 114.316 0.3 . 1 . . . A 17 TRP CZ2 . 25124 1 209 . 1 1 17 17 TRP CZ3 C 13 121.791 0.3 . 1 . . . A 17 TRP CZ3 . 25124 1 210 . 1 1 17 17 TRP CH2 C 13 124.290 0.3 . 1 . . . A 17 TRP CH2 . 25124 1 211 . 1 1 17 17 TRP N N 15 116.893 0.3 . 1 . . . A 17 TRP N . 25124 1 212 . 1 1 17 17 TRP NE1 N 15 128.838 0.3 . 1 . . . A 17 TRP NE1 . 25124 1 213 . 1 1 18 18 VAL H H 1 8.085 0.020 . 1 . . . A 18 VAL H . 25124 1 214 . 1 1 18 18 VAL HA H 1 3.662 0.020 . 1 . . . A 18 VAL HA . 25124 1 215 . 1 1 18 18 VAL HB H 1 2.263 0.020 . 1 . . . A 18 VAL HB . 25124 1 216 . 1 1 18 18 VAL HG11 H 1 1.149 0.020 . 2 . . . A 18 VAL HG11 . 25124 1 217 . 1 1 18 18 VAL HG12 H 1 1.149 0.020 . 2 . . . A 18 VAL HG12 . 25124 1 218 . 1 1 18 18 VAL HG13 H 1 1.149 0.020 . 2 . . . A 18 VAL HG13 . 25124 1 219 . 1 1 18 18 VAL HG21 H 1 1.193 0.020 . 2 . . . A 18 VAL HG21 . 25124 1 220 . 1 1 18 18 VAL HG22 H 1 1.193 0.020 . 2 . . . A 18 VAL HG22 . 25124 1 221 . 1 1 18 18 VAL HG23 H 1 1.193 0.020 . 2 . . . A 18 VAL HG23 . 25124 1 222 . 1 1 18 18 VAL C C 13 179.161 0.3 . 1 . . . A 18 VAL C . 25124 1 223 . 1 1 18 18 VAL CA C 13 65.858 0.3 . 1 . . . A 18 VAL CA . 25124 1 224 . 1 1 18 18 VAL CB C 13 31.792 0.3 . 1 . . . A 18 VAL CB . 25124 1 225 . 1 1 18 18 VAL CG1 C 13 21.258 0.3 . 1 . . . A 18 VAL CG1 . 25124 1 226 . 1 1 18 18 VAL CG2 C 13 22.352 0.3 . 1 . . . A 18 VAL CG2 . 25124 1 227 . 1 1 18 18 VAL N N 15 116.799 0.3 . 1 . . . A 18 VAL N . 25124 1 228 . 1 1 19 19 LEU H H 1 8.035 0.020 . 1 . . . A 19 LEU H . 25124 1 229 . 1 1 19 19 LEU HA H 1 4.083 0.020 . 1 . . . A 19 LEU HA . 25124 1 230 . 1 1 19 19 LEU HB2 H 1 2.041 0.020 . 2 . . . A 19 LEU HB2 . 25124 1 231 . 1 1 19 19 LEU HB3 H 1 1.148 0.020 . 2 . . . A 19 LEU HB3 . 25124 1 232 . 1 1 19 19 LEU HG H 1 1.825 0.020 . 1 . . . A 19 LEU HG . 25124 1 233 . 1 1 19 19 LEU HD11 H 1 0.820 0.020 . 2 . . . A 19 LEU HD11 . 25124 1 234 . 1 1 19 19 LEU HD12 H 1 0.820 0.020 . 2 . . . A 19 LEU HD12 . 25124 1 235 . 1 1 19 19 LEU HD13 H 1 0.820 0.020 . 2 . . . A 19 LEU HD13 . 25124 1 236 . 1 1 19 19 LEU HD21 H 1 0.608 0.020 . 2 . . . A 19 LEU HD21 . 25124 1 237 . 1 1 19 19 LEU HD22 H 1 0.608 0.020 . 2 . . . A 19 LEU HD22 . 25124 1 238 . 1 1 19 19 LEU HD23 H 1 0.608 0.020 . 2 . . . A 19 LEU HD23 . 25124 1 239 . 1 1 19 19 LEU C C 13 177.759 0.3 . 1 . . . A 19 LEU C . 25124 1 240 . 1 1 19 19 LEU CA C 13 57.971 0.3 . 1 . . . A 19 LEU CA . 25124 1 241 . 1 1 19 19 LEU CB C 13 41.863 0.3 . 1 . . . A 19 LEU CB . 25124 1 242 . 1 1 19 19 LEU CG C 13 27.912 0.3 . 1 . . . A 19 LEU CG . 25124 1 243 . 1 1 19 19 LEU CD1 C 13 27.184 0.3 . 1 . . . A 19 LEU CD1 . 25124 1 244 . 1 1 19 19 LEU CD2 C 13 22.077 0.3 . 1 . . . A 19 LEU CD2 . 25124 1 245 . 1 1 19 19 LEU N N 15 119.595 0.3 . 1 . . . A 19 LEU N . 25124 1 246 . 1 1 20 20 GLU H H 1 8.417 0.020 . 1 . . . A 20 GLU H . 25124 1 247 . 1 1 20 20 GLU HA H 1 4.007 0.020 . 1 . . . A 20 GLU HA . 25124 1 248 . 1 1 20 20 GLU HB2 H 1 2.051 0.020 . 1 . . . A 20 GLU HB2 . 25124 1 249 . 1 1 20 20 GLU HB3 H 1 2.051 0.020 . 1 . . . A 20 GLU HB3 . 25124 1 250 . 1 1 20 20 GLU HG2 H 1 2.152 0.020 . 1 . . . A 20 GLU HG2 . 25124 1 251 . 1 1 20 20 GLU HG3 H 1 2.152 0.020 . 1 . . . A 20 GLU HG3 . 25124 1 252 . 1 1 20 20 GLU C C 13 178.500 0.3 . 1 . . . A 20 GLU C . 25124 1 253 . 1 1 20 20 GLU CA C 13 60.567 0.3 . 1 . . . A 20 GLU CA . 25124 1 254 . 1 1 20 20 GLU CB C 13 29.073 0.3 . 1 . . . A 20 GLU CB . 25124 1 255 . 1 1 20 20 GLU CG C 13 35.990 0.3 . 1 . . . A 20 GLU CG . 25124 1 256 . 1 1 20 20 GLU N N 15 120.318 0.3 . 1 . . . A 20 GLU N . 25124 1 257 . 1 1 21 21 ARG H H 1 7.579 0.020 . 1 . . . A 21 ARG H . 25124 1 258 . 1 1 21 21 ARG HA H 1 3.898 0.020 . 1 . . . A 21 ARG HA . 25124 1 259 . 1 1 21 21 ARG HB2 H 1 1.628 0.020 . 2 . . . A 21 ARG HB2 . 25124 1 260 . 1 1 21 21 ARG HB3 H 1 1.485 0.020 . 2 . . . A 21 ARG HB3 . 25124 1 261 . 1 1 21 21 ARG HG2 H 1 1.297 0.020 . 2 . . . A 21 ARG HG2 . 25124 1 262 . 1 1 21 21 ARG HG3 H 1 1.261 0.020 . 2 . . . A 21 ARG HG3 . 25124 1 263 . 1 1 21 21 ARG HD2 H 1 2.710 0.020 . 1 . . . A 21 ARG HD2 . 25124 1 264 . 1 1 21 21 ARG HD3 H 1 2.710 0.020 . 1 . . . A 21 ARG HD3 . 25124 1 265 . 1 1 21 21 ARG C C 13 179.769 0.3 . 1 . . . A 21 ARG C . 25124 1 266 . 1 1 21 21 ARG CA C 13 58.491 0.3 . 1 . . . A 21 ARG CA . 25124 1 267 . 1 1 21 21 ARG CB C 13 29.966 0.3 . 1 . . . A 21 ARG CB . 25124 1 268 . 1 1 21 21 ARG CG C 13 26.424 0.3 . 1 . . . A 21 ARG CG . 25124 1 269 . 1 1 21 21 ARG CD C 13 43.000 0.3 . 1 . . . A 21 ARG CD . 25124 1 270 . 1 1 21 21 ARG N N 15 115.981 0.3 . 1 . . . A 21 ARG N . 25124 1 271 . 1 1 22 22 ALA H H 1 7.933 0.020 . 1 . . . A 22 ALA H . 25124 1 272 . 1 1 22 22 ALA HA H 1 4.110 0.020 . 1 . . . A 22 ALA HA . 25124 1 273 . 1 1 22 22 ALA HB1 H 1 1.394 0.020 . 1 . . . A 22 ALA HB1 . 25124 1 274 . 1 1 22 22 ALA HB2 H 1 1.394 0.020 . 1 . . . A 22 ALA HB2 . 25124 1 275 . 1 1 22 22 ALA HB3 H 1 1.394 0.020 . 1 . . . A 22 ALA HB3 . 25124 1 276 . 1 1 22 22 ALA C C 13 180.456 0.3 . 1 . . . A 22 ALA C . 25124 1 277 . 1 1 22 22 ALA CA C 13 54.643 0.3 . 1 . . . A 22 ALA CA . 25124 1 278 . 1 1 22 22 ALA CB C 13 19.225 0.3 . 1 . . . A 22 ALA CB . 25124 1 279 . 1 1 22 22 ALA N N 15 122.267 0.3 . 1 . . . A 22 ALA N . 25124 1 280 . 1 1 23 23 LEU H H 1 8.855 0.020 . 1 . . . A 23 LEU H . 25124 1 281 . 1 1 23 23 LEU HA H 1 4.005 0.020 . 1 . . . A 23 LEU HA . 25124 1 282 . 1 1 23 23 LEU HB2 H 1 1.929 0.020 . 2 . . . A 23 LEU HB2 . 25124 1 283 . 1 1 23 23 LEU HB3 H 1 1.114 0.020 . 2 . . . A 23 LEU HB3 . 25124 1 284 . 1 1 23 23 LEU HG H 1 1.860 0.020 . 1 . . . A 23 LEU HG . 25124 1 285 . 1 1 23 23 LEU HD11 H 1 0.773 0.020 . 2 . . . A 23 LEU HD11 . 25124 1 286 . 1 1 23 23 LEU HD12 H 1 0.773 0.020 . 2 . . . A 23 LEU HD12 . 25124 1 287 . 1 1 23 23 LEU HD13 H 1 0.773 0.020 . 2 . . . A 23 LEU HD13 . 25124 1 288 . 1 1 23 23 LEU HD21 H 1 0.782 0.020 . 2 . . . A 23 LEU HD21 . 25124 1 289 . 1 1 23 23 LEU HD22 H 1 0.782 0.020 . 2 . . . A 23 LEU HD22 . 25124 1 290 . 1 1 23 23 LEU HD23 H 1 0.782 0.020 . 2 . . . A 23 LEU HD23 . 25124 1 291 . 1 1 23 23 LEU C C 13 178.843 0.3 . 1 . . . A 23 LEU C . 25124 1 292 . 1 1 23 23 LEU CA C 13 57.765 0.3 . 1 . . . A 23 LEU CA . 25124 1 293 . 1 1 23 23 LEU CB C 13 39.919 0.3 . 1 . . . A 23 LEU CB . 25124 1 294 . 1 1 23 23 LEU CG C 13 27.484 0.3 . 1 . . . A 23 LEU CG . 25124 1 295 . 1 1 23 23 LEU CD1 C 13 26.868 0.3 . 1 . . . A 23 LEU CD1 . 25124 1 296 . 1 1 23 23 LEU CD2 C 13 24.000 0.3 . 1 . . . A 23 LEU CD2 . 25124 1 297 . 1 1 23 23 LEU N N 15 118.139 0.3 . 1 . . . A 23 LEU N . 25124 1 298 . 1 1 24 24 ALA H H 1 8.238 0.020 . 1 . . . A 24 ALA H . 25124 1 299 . 1 1 24 24 ALA HA H 1 4.665 0.020 . 1 . . . A 24 ALA HA . 25124 1 300 . 1 1 24 24 ALA HB1 H 1 1.519 0.020 . 1 . . . A 24 ALA HB1 . 25124 1 301 . 1 1 24 24 ALA HB2 H 1 1.519 0.020 . 1 . . . A 24 ALA HB2 . 25124 1 302 . 1 1 24 24 ALA HB3 H 1 1.519 0.020 . 1 . . . A 24 ALA HB3 . 25124 1 303 . 1 1 24 24 ALA C C 13 183.206 0.3 . 1 . . . A 24 ALA C . 25124 1 304 . 1 1 24 24 ALA CA C 13 54.812 0.3 . 1 . . . A 24 ALA CA . 25124 1 305 . 1 1 24 24 ALA CB C 13 17.820 0.3 . 1 . . . A 24 ALA CB . 25124 1 306 . 1 1 24 24 ALA N N 15 122.164 0.3 . 1 . . . A 24 ALA N . 25124 1 307 . 1 1 25 25 GLY H H 1 7.907 0.020 . 1 . . . A 25 GLY H . 25124 1 308 . 1 1 25 25 GLY HA2 H 1 3.915 0.020 . 2 . . . A 25 GLY HA2 . 25124 1 309 . 1 1 25 25 GLY HA3 H 1 3.877 0.020 . 2 . . . A 25 GLY HA3 . 25124 1 310 . 1 1 25 25 GLY C C 13 174.375 0.3 . 1 . . . A 25 GLY C . 25124 1 311 . 1 1 25 25 GLY CA C 13 46.550 0.3 . 1 . . . A 25 GLY CA . 25124 1 312 . 1 1 25 25 GLY N N 15 106.903 0.3 . 1 . . . A 25 GLY N . 25124 1 313 . 1 1 26 26 ALA H H 1 7.316 0.020 . 1 . . . A 26 ALA H . 25124 1 314 . 1 1 26 26 ALA HA H 1 4.505 0.020 . 1 . . . A 26 ALA HA . 25124 1 315 . 1 1 26 26 ALA HB1 H 1 1.460 0.020 . 1 . . . A 26 ALA HB1 . 25124 1 316 . 1 1 26 26 ALA HB2 H 1 1.460 0.020 . 1 . . . A 26 ALA HB2 . 25124 1 317 . 1 1 26 26 ALA HB3 H 1 1.460 0.020 . 1 . . . A 26 ALA HB3 . 25124 1 318 . 1 1 26 26 ALA CA C 13 51.585 0.3 . 1 . . . A 26 ALA CA . 25124 1 319 . 1 1 26 26 ALA CB C 13 18.799 0.3 . 1 . . . A 26 ALA CB . 25124 1 320 . 1 1 26 26 ALA N N 15 121.832 0.3 . 1 . . . A 26 ALA N . 25124 1 321 . 1 1 27 27 GLY H H 1 7.868 0.020 . 1 . . . A 27 GLY H . 25124 1 322 . 1 1 27 27 GLY HA2 H 1 4.279 0.020 . 2 . . . A 27 GLY HA2 . 25124 1 323 . 1 1 27 27 GLY HA3 H 1 3.750 0.020 . 2 . . . A 27 GLY HA3 . 25124 1 324 . 1 1 27 27 GLY C C 13 174.057 0.3 . 1 . . . A 27 GLY C . 25124 1 325 . 1 1 27 27 GLY CA C 13 45.333 0.3 . 1 . . . A 27 GLY CA . 25124 1 326 . 1 1 27 27 GLY N N 15 106.146 0.3 . 1 . . . A 27 GLY N . 25124 1 327 . 1 1 28 28 LEU H H 1 7.659 0.020 . 1 . . . A 28 LEU H . 25124 1 328 . 1 1 28 28 LEU HA H 1 4.575 0.020 . 1 . . . A 28 LEU HA . 25124 1 329 . 1 1 28 28 LEU HB2 H 1 1.447 0.020 . 2 . . . A 28 LEU HB2 . 25124 1 330 . 1 1 28 28 LEU HB3 H 1 1.181 0.020 . 2 . . . A 28 LEU HB3 . 25124 1 331 . 1 1 28 28 LEU HG H 1 1.462 0.020 . 1 . . . A 28 LEU HG . 25124 1 332 . 1 1 28 28 LEU HD11 H 1 0.646 0.020 . 2 . . . A 28 LEU HD11 . 25124 1 333 . 1 1 28 28 LEU HD12 H 1 0.646 0.020 . 2 . . . A 28 LEU HD12 . 25124 1 334 . 1 1 28 28 LEU HD13 H 1 0.646 0.020 . 2 . . . A 28 LEU HD13 . 25124 1 335 . 1 1 28 28 LEU HD21 H 1 0.728 0.020 . 2 . . . A 28 LEU HD21 . 25124 1 336 . 1 1 28 28 LEU HD22 H 1 0.728 0.020 . 2 . . . A 28 LEU HD22 . 25124 1 337 . 1 1 28 28 LEU HD23 H 1 0.728 0.020 . 2 . . . A 28 LEU HD23 . 25124 1 338 . 1 1 28 28 LEU C C 13 175.988 0.3 . 1 . . . A 28 LEU C . 25124 1 339 . 1 1 28 28 LEU CA C 13 53.881 0.3 . 1 . . . A 28 LEU CA . 25124 1 340 . 1 1 28 28 LEU CB C 13 42.540 0.3 . 1 . . . A 28 LEU CB . 25124 1 341 . 1 1 28 28 LEU CG C 13 27.292 0.3 . 1 . . . A 28 LEU CG . 25124 1 342 . 1 1 28 28 LEU CD1 C 13 23.654 0.3 . 1 . . . A 28 LEU CD1 . 25124 1 343 . 1 1 28 28 LEU CD2 C 13 26.052 0.3 . 1 . . . A 28 LEU CD2 . 25124 1 344 . 1 1 28 28 LEU N N 15 120.273 0.3 . 1 . . . A 28 LEU N . 25124 1 345 . 1 1 29 29 THR H H 1 8.562 0.020 . 1 . . . A 29 THR H . 25124 1 346 . 1 1 29 29 THR HA H 1 4.346 0.020 . 1 . . . A 29 THR HA . 25124 1 347 . 1 1 29 29 THR HB H 1 4.151 0.020 . 1 . . . A 29 THR HB . 25124 1 348 . 1 1 29 29 THR HG21 H 1 1.253 0.020 . 1 . . . A 29 THR HG21 . 25124 1 349 . 1 1 29 29 THR HG22 H 1 1.253 0.020 . 1 . . . A 29 THR HG22 . 25124 1 350 . 1 1 29 29 THR HG23 H 1 1.253 0.020 . 1 . . . A 29 THR HG23 . 25124 1 351 . 1 1 29 29 THR C C 13 173.344 0.3 . 1 . . . A 29 THR C . 25124 1 352 . 1 1 29 29 THR CA C 13 62.598 0.3 . 1 . . . A 29 THR CA . 25124 1 353 . 1 1 29 29 THR CB C 13 69.423 0.3 . 1 . . . A 29 THR CB . 25124 1 354 . 1 1 29 29 THR CG2 C 13 21.539 0.3 . 1 . . . A 29 THR CG2 . 25124 1 355 . 1 1 29 29 THR N N 15 118.173 0.3 . 1 . . . A 29 THR N . 25124 1 356 . 1 1 30 30 CYS H H 1 9.035 0.020 . 1 . . . A 30 CYS H . 25124 1 357 . 1 1 30 30 CYS HA H 1 6.012 0.020 . 1 . . . A 30 CYS HA . 25124 1 358 . 1 1 30 30 CYS HB2 H 1 2.804 0.020 . 2 . . . A 30 CYS HB2 . 25124 1 359 . 1 1 30 30 CYS HB3 H 1 2.430 0.020 . 2 . . . A 30 CYS HB3 . 25124 1 360 . 1 1 30 30 CYS HG H 1 1.351 0.020 . 1 . . . A 30 CYS HG . 25124 1 361 . 1 1 30 30 CYS C C 13 173.978 0.3 . 1 . . . A 30 CYS C . 25124 1 362 . 1 1 30 30 CYS CA C 13 56.424 0.3 . 1 . . . A 30 CYS CA . 25124 1 363 . 1 1 30 30 CYS CB C 13 29.615 0.3 . 1 . . . A 30 CYS CB . 25124 1 364 . 1 1 30 30 CYS N N 15 128.450 0.3 . 1 . . . A 30 CYS N . 25124 1 365 . 1 1 31 31 THR H H 1 8.510 0.020 . 1 . . . A 31 THR H . 25124 1 366 . 1 1 31 31 THR HA H 1 4.442 0.020 . 1 . . . A 31 THR HA . 25124 1 367 . 1 1 31 31 THR HB H 1 3.391 0.020 . 1 . . . A 31 THR HB . 25124 1 368 . 1 1 31 31 THR HG21 H 1 0.435 0.020 . 1 . . . A 31 THR HG21 . 25124 1 369 . 1 1 31 31 THR HG22 H 1 0.435 0.020 . 1 . . . A 31 THR HG22 . 25124 1 370 . 1 1 31 31 THR HG23 H 1 0.435 0.020 . 1 . . . A 31 THR HG23 . 25124 1 371 . 1 1 31 31 THR C C 13 172.683 0.3 . 1 . . . A 31 THR C . 25124 1 372 . 1 1 31 31 THR CA C 13 61.956 0.3 . 1 . . . A 31 THR CA . 25124 1 373 . 1 1 31 31 THR CB C 13 70.624 0.3 . 1 . . . A 31 THR CB . 25124 1 374 . 1 1 31 31 THR CG2 C 13 22.630 0.3 . 1 . . . A 31 THR CG2 . 25124 1 375 . 1 1 31 31 THR N N 15 126.377 0.3 . 1 . . . A 31 THR N . 25124 1 376 . 1 1 32 32 THR H H 1 8.301 0.020 . 1 . . . A 32 THR H . 25124 1 377 . 1 1 32 32 THR HA H 1 5.454 0.020 . 1 . . . A 32 THR HA . 25124 1 378 . 1 1 32 32 THR HB H 1 3.929 0.020 . 1 . . . A 32 THR HB . 25124 1 379 . 1 1 32 32 THR HG21 H 1 1.134 0.020 . 1 . . . A 32 THR HG21 . 25124 1 380 . 1 1 32 32 THR HG22 H 1 1.134 0.020 . 1 . . . A 32 THR HG22 . 25124 1 381 . 1 1 32 32 THR HG23 H 1 1.134 0.020 . 1 . . . A 32 THR HG23 . 25124 1 382 . 1 1 32 32 THR C C 13 172.259 0.3 . 1 . . . A 32 THR C . 25124 1 383 . 1 1 32 32 THR CA C 13 59.101 0.3 . 1 . . . A 32 THR CA . 25124 1 384 . 1 1 32 32 THR CB C 13 71.173 0.3 . 1 . . . A 32 THR CB . 25124 1 385 . 1 1 32 32 THR CG2 C 13 21.929 0.3 . 1 . . . A 32 THR CG2 . 25124 1 386 . 1 1 32 32 THR N N 15 115.988 0.3 . 1 . . . A 32 THR N . 25124 1 387 . 1 1 33 33 PHE H H 1 8.834 0.020 . 1 . . . A 33 PHE H . 25124 1 388 . 1 1 33 33 PHE HA H 1 4.723 0.020 . 1 . . . A 33 PHE HA . 25124 1 389 . 1 1 33 33 PHE HB2 H 1 3.142 0.020 . 2 . . . A 33 PHE HB2 . 25124 1 390 . 1 1 33 33 PHE HB3 H 1 2.405 0.020 . 2 . . . A 33 PHE HB3 . 25124 1 391 . 1 1 33 33 PHE HD1 H 1 6.844 0.020 . 1 . . . A 33 PHE HD1 . 25124 1 392 . 1 1 33 33 PHE HD2 H 1 6.844 0.020 . 1 . . . A 33 PHE HD2 . 25124 1 393 . 1 1 33 33 PHE HE1 H 1 6.287 0.020 . 1 . . . A 33 PHE HE1 . 25124 1 394 . 1 1 33 33 PHE HE2 H 1 6.287 0.020 . 1 . . . A 33 PHE HE2 . 25124 1 395 . 1 1 33 33 PHE HZ H 1 5.279 0.020 . 1 . . . A 33 PHE HZ . 25124 1 396 . 1 1 33 33 PHE C C 13 174.507 0.3 . 1 . . . A 33 PHE C . 25124 1 397 . 1 1 33 33 PHE CA C 13 56.504 0.3 . 1 . . . A 33 PHE CA . 25124 1 398 . 1 1 33 33 PHE CB C 13 43.589 0.3 . 1 . . . A 33 PHE CB . 25124 1 399 . 1 1 33 33 PHE CD1 C 13 131.357 0.3 . 1 . . . A 33 PHE CD1 . 25124 1 400 . 1 1 33 33 PHE CD2 C 13 131.357 0.3 . 1 . . . A 33 PHE CD2 . 25124 1 401 . 1 1 33 33 PHE CE1 C 13 130.565 0.3 . 1 . . . A 33 PHE CE1 . 25124 1 402 . 1 1 33 33 PHE CE2 C 13 130.565 0.3 . 1 . . . A 33 PHE CE2 . 25124 1 403 . 1 1 33 33 PHE CZ C 13 128.899 0.3 . 1 . . . A 33 PHE CZ . 25124 1 404 . 1 1 33 33 PHE N N 15 117.690 0.3 . 1 . . . A 33 PHE N . 25124 1 405 . 1 1 34 34 GLU H H 1 9.096 0.020 . 1 . . . A 34 GLU H . 25124 1 406 . 1 1 34 34 GLU HA H 1 4.451 0.020 . 1 . . . A 34 GLU HA . 25124 1 407 . 1 1 34 34 GLU HB2 H 1 2.062 0.020 . 2 . . . A 34 GLU HB2 . 25124 1 408 . 1 1 34 34 GLU HB3 H 1 2.011 0.020 . 2 . . . A 34 GLU HB3 . 25124 1 409 . 1 1 34 34 GLU HG2 H 1 2.287 0.020 . 2 . . . A 34 GLU HG2 . 25124 1 410 . 1 1 34 34 GLU HG3 H 1 2.154 0.020 . 2 . . . A 34 GLU HG3 . 25124 1 411 . 1 1 34 34 GLU C C 13 174.957 0.3 . 1 . . . A 34 GLU C . 25124 1 412 . 1 1 34 34 GLU CA C 13 56.661 0.3 . 1 . . . A 34 GLU CA . 25124 1 413 . 1 1 34 34 GLU CB C 13 31.792 0.3 . 1 . . . A 34 GLU CB . 25124 1 414 . 1 1 34 34 GLU CG C 13 36.543 0.3 . 1 . . . A 34 GLU CG . 25124 1 415 . 1 1 34 34 GLU N N 15 118.296 0.3 . 1 . . . A 34 GLU N . 25124 1 416 . 1 1 35 35 ASN H H 1 7.286 0.020 . 1 . . . A 35 ASN H . 25124 1 417 . 1 1 35 35 ASN HA H 1 4.960 0.020 . 1 . . . A 35 ASN HA . 25124 1 418 . 1 1 35 35 ASN HB2 H 1 3.033 0.020 . 2 . . . A 35 ASN HB2 . 25124 1 419 . 1 1 35 35 ASN HB3 H 1 2.982 0.020 . 2 . . . A 35 ASN HB3 . 25124 1 420 . 1 1 35 35 ASN HD21 H 1 7.029 0.020 . 1 . . . A 35 ASN HD21 . 25124 1 421 . 1 1 35 35 ASN HD22 H 1 7.735 0.020 . 1 . . . A 35 ASN HD22 . 25124 1 422 . 1 1 35 35 ASN C C 13 175.353 0.3 . 1 . . . A 35 ASN C . 25124 1 423 . 1 1 35 35 ASN CA C 13 52.364 0.3 . 1 . . . A 35 ASN CA . 25124 1 424 . 1 1 35 35 ASN CB C 13 40.932 0.3 . 1 . . . A 35 ASN CB . 25124 1 425 . 1 1 35 35 ASN CG C 13 175.856 0.3 . 1 . . . A 35 ASN CG . 25124 1 426 . 1 1 35 35 ASN N N 15 108.486 0.3 . 1 . . . A 35 ASN N . 25124 1 427 . 1 1 35 35 ASN ND2 N 15 116.400 0.3 . 1 . . . A 35 ASN ND2 . 25124 1 428 . 1 1 36 36 GLY H H 1 9.369 0.020 . 1 . . . A 36 GLY H . 25124 1 429 . 1 1 36 36 GLY HA2 H 1 3.740 0.020 . 1 . . . A 36 GLY HA2 . 25124 1 430 . 1 1 36 36 GLY HA3 H 1 3.740 0.020 . 1 . . . A 36 GLY HA3 . 25124 1 431 . 1 1 36 36 GLY C C 13 174.586 0.3 . 1 . . . A 36 GLY C . 25124 1 432 . 1 1 36 36 GLY CA C 13 47.533 0.3 . 1 . . . A 36 GLY CA . 25124 1 433 . 1 1 36 36 GLY N N 15 105.329 0.3 . 1 . . . A 36 GLY N . 25124 1 434 . 1 1 37 37 ASN H H 1 8.440 0.020 . 1 . . . A 37 ASN H . 25124 1 435 . 1 1 37 37 ASN HA H 1 4.362 0.020 . 1 . . . A 37 ASN HA . 25124 1 436 . 1 1 37 37 ASN HB2 H 1 2.853 0.020 . 2 . . . A 37 ASN HB2 . 25124 1 437 . 1 1 37 37 ASN HB3 H 1 2.717 0.020 . 2 . . . A 37 ASN HB3 . 25124 1 438 . 1 1 37 37 ASN HD21 H 1 6.789 0.020 . 1 . . . A 37 ASN HD21 . 25124 1 439 . 1 1 37 37 ASN HD22 H 1 7.624 0.020 . 1 . . . A 37 ASN HD22 . 25124 1 440 . 1 1 37 37 ASN C C 13 178.791 0.3 . 1 . . . A 37 ASN C . 25124 1 441 . 1 1 37 37 ASN CA C 13 56.843 0.3 . 1 . . . A 37 ASN CA . 25124 1 442 . 1 1 37 37 ASN CB C 13 37.716 0.3 . 1 . . . A 37 ASN CB . 25124 1 443 . 1 1 37 37 ASN N N 15 120.396 0.3 . 1 . . . A 37 ASN N . 25124 1 444 . 1 1 37 37 ASN ND2 N 15 111.700 0.3 . 1 . . . A 37 ASN ND2 . 25124 1 445 . 1 1 38 38 GLU H H 1 8.063 0.020 . 1 . . . A 38 GLU H . 25124 1 446 . 1 1 38 38 GLU HA H 1 4.058 0.020 . 1 . . . A 38 GLU HA . 25124 1 447 . 1 1 38 38 GLU HB2 H 1 2.295 0.020 . 1 . . . A 38 GLU HB2 . 25124 1 448 . 1 1 38 38 GLU HB3 H 1 2.295 0.020 . 1 . . . A 38 GLU HB3 . 25124 1 449 . 1 1 38 38 GLU HG2 H 1 2.592 0.020 . 2 . . . A 38 GLU HG2 . 25124 1 450 . 1 1 38 38 GLU HG3 H 1 2.356 0.020 . 2 . . . A 38 GLU HG3 . 25124 1 451 . 1 1 38 38 GLU C C 13 179.372 0.3 . 1 . . . A 38 GLU C . 25124 1 452 . 1 1 38 38 GLU CA C 13 58.790 0.3 . 1 . . . A 38 GLU CA . 25124 1 453 . 1 1 38 38 GLU CB C 13 30.692 0.3 . 1 . . . A 38 GLU CB . 25124 1 454 . 1 1 38 38 GLU CG C 13 36.460 0.3 . 1 . . . A 38 GLU CG . 25124 1 455 . 1 1 38 38 GLU N N 15 119.334 0.3 . 1 . . . A 38 GLU N . 25124 1 456 . 1 1 39 39 VAL H H 1 6.844 0.020 . 1 . . . A 39 VAL H . 25124 1 457 . 1 1 39 39 VAL HA H 1 2.599 0.020 . 1 . . . A 39 VAL HA . 25124 1 458 . 1 1 39 39 VAL HB H 1 2.015 0.020 . 1 . . . A 39 VAL HB . 25124 1 459 . 1 1 39 39 VAL HG11 H 1 0.850 0.020 . 2 . . . A 39 VAL HG11 . 25124 1 460 . 1 1 39 39 VAL HG12 H 1 0.850 0.020 . 2 . . . A 39 VAL HG12 . 25124 1 461 . 1 1 39 39 VAL HG13 H 1 0.850 0.020 . 2 . . . A 39 VAL HG13 . 25124 1 462 . 1 1 39 39 VAL HG21 H 1 0.468 0.020 . 2 . . . A 39 VAL HG21 . 25124 1 463 . 1 1 39 39 VAL HG22 H 1 0.468 0.020 . 2 . . . A 39 VAL HG22 . 25124 1 464 . 1 1 39 39 VAL HG23 H 1 0.468 0.020 . 2 . . . A 39 VAL HG23 . 25124 1 465 . 1 1 39 39 VAL C C 13 176.807 0.3 . 1 . . . A 39 VAL C . 25124 1 466 . 1 1 39 39 VAL CA C 13 65.222 0.3 . 1 . . . A 39 VAL CA . 25124 1 467 . 1 1 39 39 VAL CB C 13 31.078 0.3 . 1 . . . A 39 VAL CB . 25124 1 468 . 1 1 39 39 VAL CG1 C 13 21.542 0.3 . 1 . . . A 39 VAL CG1 . 25124 1 469 . 1 1 39 39 VAL CG2 C 13 22.984 0.3 . 1 . . . A 39 VAL CG2 . 25124 1 470 . 1 1 39 39 VAL N N 15 119.047 0.3 . 1 . . . A 39 VAL N . 25124 1 471 . 1 1 40 40 LEU H H 1 7.715 0.020 . 1 . . . A 40 LEU H . 25124 1 472 . 1 1 40 40 LEU HA H 1 3.929 0.020 . 1 . . . A 40 LEU HA . 25124 1 473 . 1 1 40 40 LEU HB2 H 1 1.766 0.020 . 2 . . . A 40 LEU HB2 . 25124 1 474 . 1 1 40 40 LEU HB3 H 1 1.486 0.020 . 2 . . . A 40 LEU HB3 . 25124 1 475 . 1 1 40 40 LEU HG H 1 1.668 0.020 . 1 . . . A 40 LEU HG . 25124 1 476 . 1 1 40 40 LEU HD11 H 1 0.814 0.020 . 2 . . . A 40 LEU HD11 . 25124 1 477 . 1 1 40 40 LEU HD12 H 1 0.814 0.020 . 2 . . . A 40 LEU HD12 . 25124 1 478 . 1 1 40 40 LEU HD13 H 1 0.814 0.020 . 2 . . . A 40 LEU HD13 . 25124 1 479 . 1 1 40 40 LEU HD21 H 1 0.729 0.020 . 2 . . . A 40 LEU HD21 . 25124 1 480 . 1 1 40 40 LEU HD22 H 1 0.729 0.020 . 2 . . . A 40 LEU HD22 . 25124 1 481 . 1 1 40 40 LEU HD23 H 1 0.729 0.020 . 2 . . . A 40 LEU HD23 . 25124 1 482 . 1 1 40 40 LEU C C 13 179.584 0.3 . 1 . . . A 40 LEU C . 25124 1 483 . 1 1 40 40 LEU CA C 13 57.943 0.3 . 1 . . . A 40 LEU CA . 25124 1 484 . 1 1 40 40 LEU CB C 13 40.932 0.3 . 1 . . . A 40 LEU CB . 25124 1 485 . 1 1 40 40 LEU CG C 13 26.830 0.3 . 1 . . . A 40 LEU CG . 25124 1 486 . 1 1 40 40 LEU CD1 C 13 25.658 0.3 . 1 . . . A 40 LEU CD1 . 25124 1 487 . 1 1 40 40 LEU CD2 C 13 22.891 0.3 . 1 . . . A 40 LEU CD2 . 25124 1 488 . 1 1 40 40 LEU N N 15 118.385 0.3 . 1 . . . A 40 LEU N . 25124 1 489 . 1 1 41 41 ALA H H 1 7.671 0.020 . 1 . . . A 41 ALA H . 25124 1 490 . 1 1 41 41 ALA HA H 1 4.158 0.020 . 1 . . . A 41 ALA HA . 25124 1 491 . 1 1 41 41 ALA HB1 H 1 1.458 0.020 . 1 . . . A 41 ALA HB1 . 25124 1 492 . 1 1 41 41 ALA HB2 H 1 1.458 0.020 . 1 . . . A 41 ALA HB2 . 25124 1 493 . 1 1 41 41 ALA HB3 H 1 1.458 0.020 . 1 . . . A 41 ALA HB3 . 25124 1 494 . 1 1 41 41 ALA C C 13 180.562 0.3 . 1 . . . A 41 ALA C . 25124 1 495 . 1 1 41 41 ALA CA C 13 54.717 0.3 . 1 . . . A 41 ALA CA . 25124 1 496 . 1 1 41 41 ALA CB C 13 17.853 0.3 . 1 . . . A 41 ALA CB . 25124 1 497 . 1 1 41 41 ALA N N 15 120.091 0.3 . 1 . . . A 41 ALA N . 25124 1 498 . 1 1 42 42 ALA H H 1 7.573 0.020 . 1 . . . A 42 ALA H . 25124 1 499 . 1 1 42 42 ALA HA H 1 4.221 0.020 . 1 . . . A 42 ALA HA . 25124 1 500 . 1 1 42 42 ALA HB1 H 1 1.313 0.020 . 1 . . . A 42 ALA HB1 . 25124 1 501 . 1 1 42 42 ALA HB2 H 1 1.313 0.020 . 1 . . . A 42 ALA HB2 . 25124 1 502 . 1 1 42 42 ALA HB3 H 1 1.313 0.020 . 1 . . . A 42 ALA HB3 . 25124 1 503 . 1 1 42 42 ALA C C 13 180.166 0.3 . 1 . . . A 42 ALA C . 25124 1 504 . 1 1 42 42 ALA CA C 13 54.974 0.3 . 1 . . . A 42 ALA CA . 25124 1 505 . 1 1 42 42 ALA CB C 13 19.488 0.3 . 1 . . . A 42 ALA CB . 25124 1 506 . 1 1 42 42 ALA N N 15 122.650 0.3 . 1 . . . A 42 ALA N . 25124 1 507 . 1 1 43 43 LEU H H 1 8.289 0.020 . 1 . . . A 43 LEU H . 25124 1 508 . 1 1 43 43 LEU HA H 1 5.260 0.020 . 1 . . . A 43 LEU HA . 25124 1 509 . 1 1 43 43 LEU HB2 H 1 1.952 0.020 . 2 . . . A 43 LEU HB2 . 25124 1 510 . 1 1 43 43 LEU HB3 H 1 1.733 0.020 . 2 . . . A 43 LEU HB3 . 25124 1 511 . 1 1 43 43 LEU HG H 1 2.141 0.020 . 1 . . . A 43 LEU HG . 25124 1 512 . 1 1 43 43 LEU HD11 H 1 0.825 0.020 . 2 . . . A 43 LEU HD11 . 25124 1 513 . 1 1 43 43 LEU HD12 H 1 0.825 0.020 . 2 . . . A 43 LEU HD12 . 25124 1 514 . 1 1 43 43 LEU HD13 H 1 0.825 0.020 . 2 . . . A 43 LEU HD13 . 25124 1 515 . 1 1 43 43 LEU HD21 H 1 0.778 0.020 . 2 . . . A 43 LEU HD21 . 25124 1 516 . 1 1 43 43 LEU HD22 H 1 0.778 0.020 . 2 . . . A 43 LEU HD22 . 25124 1 517 . 1 1 43 43 LEU HD23 H 1 0.778 0.020 . 2 . . . A 43 LEU HD23 . 25124 1 518 . 1 1 43 43 LEU C C 13 177.389 0.3 . 1 . . . A 43 LEU C . 25124 1 519 . 1 1 43 43 LEU CA C 13 55.446 0.3 . 1 . . . A 43 LEU CA . 25124 1 520 . 1 1 43 43 LEU CB C 13 42.879 0.3 . 1 . . . A 43 LEU CB . 25124 1 521 . 1 1 43 43 LEU CG C 13 26.724 0.3 . 1 . . . A 43 LEU CG . 25124 1 522 . 1 1 43 43 LEU CD1 C 13 26.050 0.3 . 1 . . . A 43 LEU CD1 . 25124 1 523 . 1 1 43 43 LEU CD2 C 13 25.141 0.3 . 1 . . . A 43 LEU CD2 . 25124 1 524 . 1 1 43 43 LEU N N 15 119.321 0.3 . 1 . . . A 43 LEU N . 25124 1 525 . 1 1 44 44 ALA H H 1 7.307 0.020 . 1 . . . A 44 ALA H . 25124 1 526 . 1 1 44 44 ALA HA H 1 4.232 0.020 . 1 . . . A 44 ALA HA . 25124 1 527 . 1 1 44 44 ALA HB1 H 1 1.553 0.020 . 1 . . . A 44 ALA HB1 . 25124 1 528 . 1 1 44 44 ALA HB2 H 1 1.553 0.020 . 1 . . . A 44 ALA HB2 . 25124 1 529 . 1 1 44 44 ALA HB3 H 1 1.553 0.020 . 1 . . . A 44 ALA HB3 . 25124 1 530 . 1 1 44 44 ALA C C 13 178.738 0.3 . 1 . . . A 44 ALA C . 25124 1 531 . 1 1 44 44 ALA CA C 13 54.353 0.3 . 1 . . . A 44 ALA CA . 25124 1 532 . 1 1 44 44 ALA CB C 13 18.674 0.3 . 1 . . . A 44 ALA CB . 25124 1 533 . 1 1 44 44 ALA N N 15 118.995 0.3 . 1 . . . A 44 ALA N . 25124 1 534 . 1 1 45 45 SER H H 1 7.772 0.020 . 1 . . . A 45 SER H . 25124 1 535 . 1 1 45 45 SER HA H 1 4.761 0.020 . 1 . . . A 45 SER HA . 25124 1 536 . 1 1 45 45 SER HB2 H 1 3.981 0.020 . 2 . . . A 45 SER HB2 . 25124 1 537 . 1 1 45 45 SER HB3 H 1 3.891 0.020 . 2 . . . A 45 SER HB3 . 25124 1 538 . 1 1 45 45 SER C C 13 173.344 0.3 . 1 . . . A 45 SER C . 25124 1 539 . 1 1 45 45 SER CA C 13 58.682 0.3 . 1 . . . A 45 SER CA . 25124 1 540 . 1 1 45 45 SER CB C 13 65.446 0.3 . 1 . . . A 45 SER CB . 25124 1 541 . 1 1 45 45 SER N N 15 108.530 0.3 . 1 . . . A 45 SER N . 25124 1 542 . 1 1 46 46 LYS H H 1 8.096 0.020 . 1 . . . A 46 LYS H . 25124 1 543 . 1 1 46 46 LYS HA H 1 4.608 0.020 . 1 . . . A 46 LYS HA . 25124 1 544 . 1 1 46 46 LYS HB2 H 1 2.031 0.020 . 2 . . . A 46 LYS HB2 . 25124 1 545 . 1 1 46 46 LYS HB3 H 1 1.914 0.020 . 2 . . . A 46 LYS HB3 . 25124 1 546 . 1 1 46 46 LYS HG2 H 1 1.540 0.020 . 2 . . . A 46 LYS HG2 . 25124 1 547 . 1 1 46 46 LYS HG3 H 1 1.478 0.020 . 2 . . . A 46 LYS HG3 . 25124 1 548 . 1 1 46 46 LYS HD2 H 1 1.829 0.020 . 1 . . . A 46 LYS HD2 . 25124 1 549 . 1 1 46 46 LYS HD3 H 1 1.829 0.020 . 1 . . . A 46 LYS HD3 . 25124 1 550 . 1 1 46 46 LYS HE2 H 1 3.048 0.020 . 1 . . . A 46 LYS HE2 . 25124 1 551 . 1 1 46 46 LYS HE3 H 1 3.048 0.020 . 1 . . . A 46 LYS HE3 . 25124 1 552 . 1 1 46 46 LYS C C 13 172.815 0.3 . 1 . . . A 46 LYS C . 25124 1 553 . 1 1 46 46 LYS CA C 13 55.601 0.3 . 1 . . . A 46 LYS CA . 25124 1 554 . 1 1 46 46 LYS CB C 13 36.399 0.3 . 1 . . . A 46 LYS CB . 25124 1 555 . 1 1 46 46 LYS CG C 13 24.637 0.3 . 1 . . . A 46 LYS CG . 25124 1 556 . 1 1 46 46 LYS CD C 13 29.265 0.3 . 1 . . . A 46 LYS CD . 25124 1 557 . 1 1 46 46 LYS CE C 13 42.180 0.3 . 1 . . . A 46 LYS CE . 25124 1 558 . 1 1 46 46 LYS N N 15 122.965 0.3 . 1 . . . A 46 LYS N . 25124 1 559 . 1 1 47 47 THR H H 1 7.708 0.020 . 1 . . . A 47 THR H . 25124 1 560 . 1 1 47 47 THR HA H 1 4.307 0.020 . 1 . . . A 47 THR HA . 25124 1 561 . 1 1 47 47 THR HB H 1 3.623 0.020 . 1 . . . A 47 THR HB . 25124 1 562 . 1 1 47 47 THR HG21 H 1 0.747 0.020 . 1 . . . A 47 THR HG21 . 25124 1 563 . 1 1 47 47 THR HG22 H 1 0.747 0.020 . 1 . . . A 47 THR HG22 . 25124 1 564 . 1 1 47 47 THR HG23 H 1 0.747 0.020 . 1 . . . A 47 THR HG23 . 25124 1 565 . 1 1 47 47 THR CA C 13 57.896 0.3 . 1 . . . A 47 THR CA . 25124 1 566 . 1 1 47 47 THR CB C 13 70.570 0.3 . 1 . . . A 47 THR CB . 25124 1 567 . 1 1 47 47 THR CG2 C 13 21.399 0.3 . 1 . . . A 47 THR CG2 . 25124 1 568 . 1 1 47 47 THR N N 15 111.524 0.3 . 1 . . . A 47 THR N . 25124 1 569 . 1 1 48 48 PRO HA H 1 3.944 0.020 . 1 . . . A 48 PRO HA . 25124 1 570 . 1 1 48 48 PRO HB2 H 1 -0.333 0.020 . 2 . . . A 48 PRO HB2 . 25124 1 571 . 1 1 48 48 PRO HB3 H 1 1.444 0.020 . 2 . . . A 48 PRO HB3 . 25124 1 572 . 1 1 48 48 PRO HG2 H 1 0.964 0.020 . 2 . . . A 48 PRO HG2 . 25124 1 573 . 1 1 48 48 PRO HG3 H 1 0.656 0.020 . 2 . . . A 48 PRO HG3 . 25124 1 574 . 1 1 48 48 PRO HD2 H 1 2.644 0.020 . 2 . . . A 48 PRO HD2 . 25124 1 575 . 1 1 48 48 PRO HD3 H 1 1.191 0.020 . 2 . . . A 48 PRO HD3 . 25124 1 576 . 1 1 48 48 PRO C C 13 173.079 0.3 . 1 . . . A 48 PRO C . 25124 1 577 . 1 1 48 48 PRO CA C 13 60.922 0.3 . 1 . . . A 48 PRO CA . 25124 1 578 . 1 1 48 48 PRO CB C 13 30.353 0.3 . 1 . . . A 48 PRO CB . 25124 1 579 . 1 1 48 48 PRO CG C 13 25.700 0.3 . 1 . . . A 48 PRO CG . 25124 1 580 . 1 1 48 48 PRO CD C 13 47.866 0.3 . 1 . . . A 48 PRO CD . 25124 1 581 . 1 1 49 49 ASP H H 1 8.535 0.020 . 1 . . . A 49 ASP H . 25124 1 582 . 1 1 49 49 ASP HA H 1 4.460 0.020 . 1 . . . A 49 ASP HA . 25124 1 583 . 1 1 49 49 ASP HB2 H 1 2.587 0.020 . 2 . . . A 49 ASP HB2 . 25124 1 584 . 1 1 49 49 ASP HB3 H 1 2.550 0.020 . 2 . . . A 49 ASP HB3 . 25124 1 585 . 1 1 49 49 ASP C C 13 175.591 0.3 . 1 . . . A 49 ASP C . 25124 1 586 . 1 1 49 49 ASP CA C 13 56.504 0.3 . 1 . . . A 49 ASP CA . 25124 1 587 . 1 1 49 49 ASP CB C 13 42.625 0.3 . 1 . . . A 49 ASP CB . 25124 1 588 . 1 1 49 49 ASP N N 15 115.001 0.3 . 1 . . . A 49 ASP N . 25124 1 589 . 1 1 50 50 VAL H H 1 7.194 0.020 . 1 . . . A 50 VAL H . 25124 1 590 . 1 1 50 50 VAL HA H 1 4.316 0.020 . 1 . . . A 50 VAL HA . 25124 1 591 . 1 1 50 50 VAL HB H 1 1.910 0.020 . 1 . . . A 50 VAL HB . 25124 1 592 . 1 1 50 50 VAL HG11 H 1 0.763 0.020 . 2 . . . A 50 VAL HG11 . 25124 1 593 . 1 1 50 50 VAL HG12 H 1 0.763 0.020 . 2 . . . A 50 VAL HG12 . 25124 1 594 . 1 1 50 50 VAL HG13 H 1 0.763 0.020 . 2 . . . A 50 VAL HG13 . 25124 1 595 . 1 1 50 50 VAL HG21 H 1 0.733 0.020 . 2 . . . A 50 VAL HG21 . 25124 1 596 . 1 1 50 50 VAL HG22 H 1 0.733 0.020 . 2 . . . A 50 VAL HG22 . 25124 1 597 . 1 1 50 50 VAL HG23 H 1 0.733 0.020 . 2 . . . A 50 VAL HG23 . 25124 1 598 . 1 1 50 50 VAL C C 13 171.572 0.3 . 1 . . . A 50 VAL C . 25124 1 599 . 1 1 50 50 VAL CA C 13 60.398 0.3 . 1 . . . A 50 VAL CA . 25124 1 600 . 1 1 50 50 VAL CB C 13 34.650 0.3 . 1 . . . A 50 VAL CB . 25124 1 601 . 1 1 50 50 VAL CG1 C 13 21.399 0.3 . 1 . . . A 50 VAL CG1 . 25124 1 602 . 1 1 50 50 VAL CG2 C 13 22.229 0.3 . 1 . . . A 50 VAL CG2 . 25124 1 603 . 1 1 50 50 VAL N N 15 111.832 0.3 . 1 . . . A 50 VAL N . 25124 1 604 . 1 1 51 51 LEU H H 1 8.049 0.020 . 1 . . . A 51 LEU H . 25124 1 605 . 1 1 51 51 LEU HA H 1 5.376 0.020 . 1 . . . A 51 LEU HA . 25124 1 606 . 1 1 51 51 LEU HB2 H 1 1.776 0.020 . 2 . . . A 51 LEU HB2 . 25124 1 607 . 1 1 51 51 LEU HB3 H 1 1.081 0.020 . 2 . . . A 51 LEU HB3 . 25124 1 608 . 1 1 51 51 LEU HG H 1 1.462 0.020 . 1 . . . A 51 LEU HG . 25124 1 609 . 1 1 51 51 LEU HD11 H 1 0.971 0.020 . 2 . . . A 51 LEU HD11 . 25124 1 610 . 1 1 51 51 LEU HD12 H 1 0.971 0.020 . 2 . . . A 51 LEU HD12 . 25124 1 611 . 1 1 51 51 LEU HD13 H 1 0.971 0.020 . 2 . . . A 51 LEU HD13 . 25124 1 612 . 1 1 51 51 LEU HD21 H 1 0.820 0.020 . 2 . . . A 51 LEU HD21 . 25124 1 613 . 1 1 51 51 LEU HD22 H 1 0.820 0.020 . 2 . . . A 51 LEU HD22 . 25124 1 614 . 1 1 51 51 LEU HD23 H 1 0.820 0.020 . 2 . . . A 51 LEU HD23 . 25124 1 615 . 1 1 51 51 LEU C C 13 173.264 0.3 . 1 . . . A 51 LEU C . 25124 1 616 . 1 1 51 51 LEU CA C 13 53.137 0.3 . 1 . . . A 51 LEU CA . 25124 1 617 . 1 1 51 51 LEU CB C 13 46.680 0.3 . 1 . . . A 51 LEU CB . 25124 1 618 . 1 1 51 51 LEU CG C 13 27.952 0.3 . 1 . . . A 51 LEU CG . 25124 1 619 . 1 1 51 51 LEU CD1 C 13 25.762 0.3 . 1 . . . A 51 LEU CD1 . 25124 1 620 . 1 1 51 51 LEU CD2 C 13 26.930 0.3 . 1 . . . A 51 LEU CD2 . 25124 1 621 . 1 1 51 51 LEU N N 15 127.785 0.3 . 1 . . . A 51 LEU N . 25124 1 622 . 1 1 52 52 LEU H H 1 9.278 0.020 . 1 . . . A 52 LEU H . 25124 1 623 . 1 1 52 52 LEU HA H 1 5.312 0.020 . 1 . . . A 52 LEU HA . 25124 1 624 . 1 1 52 52 LEU HB2 H 1 1.756 0.020 . 2 . . . A 52 LEU HB2 . 25124 1 625 . 1 1 52 52 LEU HB3 H 1 1.362 0.020 . 2 . . . A 52 LEU HB3 . 25124 1 626 . 1 1 52 52 LEU HG H 1 1.483 0.020 . 1 . . . A 52 LEU HG . 25124 1 627 . 1 1 52 52 LEU HD11 H 1 0.713 0.020 . 2 . . . A 52 LEU HD11 . 25124 1 628 . 1 1 52 52 LEU HD12 H 1 0.713 0.020 . 2 . . . A 52 LEU HD12 . 25124 1 629 . 1 1 52 52 LEU HD13 H 1 0.713 0.020 . 2 . . . A 52 LEU HD13 . 25124 1 630 . 1 1 52 52 LEU HD21 H 1 0.626 0.020 . 2 . . . A 52 LEU HD21 . 25124 1 631 . 1 1 52 52 LEU HD22 H 1 0.626 0.020 . 2 . . . A 52 LEU HD22 . 25124 1 632 . 1 1 52 52 LEU HD23 H 1 0.626 0.020 . 2 . . . A 52 LEU HD23 . 25124 1 633 . 1 1 52 52 LEU C C 13 174.692 0.3 . 1 . . . A 52 LEU C . 25124 1 634 . 1 1 52 52 LEU CA C 13 54.313 0.3 . 1 . . . A 52 LEU CA . 25124 1 635 . 1 1 52 52 LEU CB C 13 43.961 0.3 . 1 . . . A 52 LEU CB . 25124 1 636 . 1 1 52 52 LEU CG C 13 28.688 0.3 . 1 . . . A 52 LEU CG . 25124 1 637 . 1 1 52 52 LEU CD1 C 13 25.173 0.3 . 1 . . . A 52 LEU CD1 . 25124 1 638 . 1 1 52 52 LEU CD2 C 13 26.202 0.3 . 1 . . . A 52 LEU CD2 . 25124 1 639 . 1 1 52 52 LEU N N 15 128.943 0.3 . 1 . . . A 52 LEU N . 25124 1 640 . 1 1 53 53 SER H H 1 9.256 0.020 . 1 . . . A 53 SER H . 25124 1 641 . 1 1 53 53 SER HA H 1 5.395 0.020 . 1 . . . A 53 SER HA . 25124 1 642 . 1 1 53 53 SER HB2 H 1 3.573 0.020 . 2 . . . A 53 SER HB2 . 25124 1 643 . 1 1 53 53 SER HB3 H 1 3.097 0.020 . 2 . . . A 53 SER HB3 . 25124 1 644 . 1 1 53 53 SER HG H 1 4.373 0.020 . 1 . . . A 53 SER HG . 25124 1 645 . 1 1 53 53 SER C C 13 173.608 0.3 . 1 . . . A 53 SER C . 25124 1 646 . 1 1 53 53 SER CA C 13 56.226 0.3 . 1 . . . A 53 SER CA . 25124 1 647 . 1 1 53 53 SER CB C 13 65.753 0.3 . 1 . . . A 53 SER CB . 25124 1 648 . 1 1 53 53 SER N N 15 116.717 0.3 . 1 . . . A 53 SER N . 25124 1 649 . 1 1 54 54 ASP H H 1 8.219 0.020 . 1 . . . A 54 ASP H . 25124 1 650 . 1 1 54 54 ASP HA H 1 5.622 0.020 . 1 . . . A 54 ASP HA . 25124 1 651 . 1 1 54 54 ASP HB2 H 1 3.712 0.020 . 2 . . . A 54 ASP HB2 . 25124 1 652 . 1 1 54 54 ASP HB3 H 1 2.928 0.020 . 2 . . . A 54 ASP HB3 . 25124 1 653 . 1 1 54 54 ASP C C 13 175.723 0.3 . 1 . . . A 54 ASP C . 25124 1 654 . 1 1 54 54 ASP CA C 13 53.268 0.3 . 1 . . . A 54 ASP CA . 25124 1 655 . 1 1 54 54 ASP CB C 13 44.386 0.3 . 1 . . . A 54 ASP CB . 25124 1 656 . 1 1 54 54 ASP N N 15 127.909 0.3 . 1 . . . A 54 ASP N . 25124 1 657 . 1 1 55 55 ILE H H 1 7.812 0.020 . 1 . . . A 55 ILE H . 25124 1 658 . 1 1 55 55 ILE HA H 1 4.116 0.020 . 1 . . . A 55 ILE HA . 25124 1 659 . 1 1 55 55 ILE HB H 1 1.958 0.020 . 1 . . . A 55 ILE HB . 25124 1 660 . 1 1 55 55 ILE HG12 H 1 1.478 0.020 . 1 . . . A 55 ILE HG12 . 25124 1 661 . 1 1 55 55 ILE HG13 H 1 1.478 0.020 . 1 . . . A 55 ILE HG13 . 25124 1 662 . 1 1 55 55 ILE HG21 H 1 0.958 0.020 . 1 . . . A 55 ILE HG21 . 25124 1 663 . 1 1 55 55 ILE HG22 H 1 0.958 0.020 . 1 . . . A 55 ILE HG22 . 25124 1 664 . 1 1 55 55 ILE HG23 H 1 0.958 0.020 . 1 . . . A 55 ILE HG23 . 25124 1 665 . 1 1 55 55 ILE HD11 H 1 0.849 0.020 . 1 . . . A 55 ILE HD11 . 25124 1 666 . 1 1 55 55 ILE HD12 H 1 0.849 0.020 . 1 . . . A 55 ILE HD12 . 25124 1 667 . 1 1 55 55 ILE HD13 H 1 0.849 0.020 . 1 . . . A 55 ILE HD13 . 25124 1 668 . 1 1 55 55 ILE C C 13 176.913 0.3 . 1 . . . A 55 ILE C . 25124 1 669 . 1 1 55 55 ILE CA C 13 65.290 0.3 . 1 . . . A 55 ILE CA . 25124 1 670 . 1 1 55 55 ILE CB C 13 38.487 0.3 . 1 . . . A 55 ILE CB . 25124 1 671 . 1 1 55 55 ILE CG1 C 13 28.960 0.3 . 1 . . . A 55 ILE CG1 . 25124 1 672 . 1 1 55 55 ILE CG2 C 13 17.460 0.3 . 1 . . . A 55 ILE CG2 . 25124 1 673 . 1 1 55 55 ILE CD1 C 13 13.066 0.3 . 1 . . . A 55 ILE CD1 . 25124 1 674 . 1 1 55 55 ILE N N 15 117.015 0.3 . 1 . . . A 55 ILE N . 25124 1 675 . 1 1 56 56 ARG H H 1 8.991 0.020 . 1 . . . A 56 ARG H . 25124 1 676 . 1 1 56 56 ARG HA H 1 4.379 0.020 . 1 . . . A 56 ARG HA . 25124 1 677 . 1 1 56 56 ARG HB2 H 1 2.279 0.020 . 2 . . . A 56 ARG HB2 . 25124 1 678 . 1 1 56 56 ARG HB3 H 1 1.816 0.020 . 2 . . . A 56 ARG HB3 . 25124 1 679 . 1 1 56 56 ARG HG2 H 1 1.652 0.020 . 2 . . . A 56 ARG HG2 . 25124 1 680 . 1 1 56 56 ARG HG3 H 1 1.579 0.020 . 2 . . . A 56 ARG HG3 . 25124 1 681 . 1 1 56 56 ARG HD2 H 1 3.032 0.020 . 2 . . . A 56 ARG HD2 . 25124 1 682 . 1 1 56 56 ARG HD3 H 1 2.882 0.020 . 2 . . . A 56 ARG HD3 . 25124 1 683 . 1 1 56 56 ARG C C 13 172.788 0.3 . 1 . . . A 56 ARG C . 25124 1 684 . 1 1 56 56 ARG CA C 13 57.034 0.3 . 1 . . . A 56 ARG CA . 25124 1 685 . 1 1 56 56 ARG CB C 13 27.600 0.3 . 1 . . . A 56 ARG CB . 25124 1 686 . 1 1 56 56 ARG CG C 13 26.730 0.3 . 1 . . . A 56 ARG CG . 25124 1 687 . 1 1 56 56 ARG CD C 13 43.273 0.3 . 1 . . . A 56 ARG CD . 25124 1 688 . 1 1 56 56 ARG N N 15 117.365 0.3 . 1 . . . A 56 ARG N . 25124 1 689 . 1 1 57 57 MET H H 1 7.501 0.020 . 1 . . . A 57 MET H . 25124 1 690 . 1 1 57 57 MET HA H 1 4.767 0.020 . 1 . . . A 57 MET HA . 25124 1 691 . 1 1 57 57 MET HB2 H 1 2.092 0.020 . 1 . . . A 57 MET HB2 . 25124 1 692 . 1 1 57 57 MET HB3 H 1 2.092 0.020 . 1 . . . A 57 MET HB3 . 25124 1 693 . 1 1 57 57 MET HG2 H 1 2.733 0.020 . 2 . . . A 57 MET HG2 . 25124 1 694 . 1 1 57 57 MET HG3 H 1 2.226 0.020 . 2 . . . A 57 MET HG3 . 25124 1 695 . 1 1 57 57 MET HE1 H 1 1.857 0.020 . 1 . . . A 57 MET HE1 . 25124 1 696 . 1 1 57 57 MET HE2 H 1 1.857 0.020 . 1 . . . A 57 MET HE2 . 25124 1 697 . 1 1 57 57 MET HE3 H 1 1.857 0.020 . 1 . . . A 57 MET HE3 . 25124 1 698 . 1 1 57 57 MET CA C 13 53.641 0.3 . 1 . . . A 57 MET CA . 25124 1 699 . 1 1 57 57 MET CB C 13 36.484 0.3 . 1 . . . A 57 MET CB . 25124 1 700 . 1 1 57 57 MET CG C 13 32.850 0.3 . 1 . . . A 57 MET CG . 25124 1 701 . 1 1 57 57 MET CE C 13 15.781 0.3 . 1 . . . A 57 MET CE . 25124 1 702 . 1 1 57 57 MET N N 15 129.539 0.3 . 1 . . . A 57 MET N . 25124 1 703 . 1 1 58 58 PRO HA H 1 4.379 0.020 . 1 . . . A 58 PRO HA . 25124 1 704 . 1 1 58 58 PRO HB2 H 1 2.321 0.020 . 1 . . . A 58 PRO HB2 . 25124 1 705 . 1 1 58 58 PRO HB3 H 1 2.321 0.020 . 1 . . . A 58 PRO HB3 . 25124 1 706 . 1 1 58 58 PRO HG2 H 1 2.189 0.020 . 2 . . . A 58 PRO HG2 . 25124 1 707 . 1 1 58 58 PRO HG3 H 1 2.066 0.020 . 2 . . . A 58 PRO HG3 . 25124 1 708 . 1 1 58 58 PRO HD2 H 1 3.796 0.020 . 2 . . . A 58 PRO HD2 . 25124 1 709 . 1 1 58 58 PRO HD3 H 1 3.668 0.020 . 2 . . . A 58 PRO HD3 . 25124 1 710 . 1 1 58 58 PRO C C 13 177.495 0.3 . 1 . . . A 58 PRO C . 25124 1 711 . 1 1 58 58 PRO CA C 13 63.104 0.3 . 1 . . . A 58 PRO CA . 25124 1 712 . 1 1 58 58 PRO CB C 13 31.922 0.3 . 1 . . . A 58 PRO CB . 25124 1 713 . 1 1 58 58 PRO CG C 13 27.586 0.3 . 1 . . . A 58 PRO CG . 25124 1 714 . 1 1 58 58 PRO CD C 13 50.467 0.3 . 1 . . . A 58 PRO CD . 25124 1 715 . 1 1 59 59 GLY H H 1 8.656 0.020 . 1 . . . A 59 GLY H . 25124 1 716 . 1 1 59 59 GLY HA2 H 1 4.222 0.020 . 2 . . . A 59 GLY HA2 . 25124 1 717 . 1 1 59 59 GLY HA3 H 1 3.494 0.020 . 2 . . . A 59 GLY HA3 . 25124 1 718 . 1 1 59 59 GLY C C 13 173.793 0.3 . 1 . . . A 59 GLY C . 25124 1 719 . 1 1 59 59 GLY CA C 13 46.430 0.3 . 1 . . . A 59 GLY CA . 25124 1 720 . 1 1 59 59 GLY N N 15 112.312 0.3 . 1 . . . A 59 GLY N . 25124 1 721 . 1 1 60 60 MET H H 1 7.778 0.020 . 1 . . . A 60 MET H . 25124 1 722 . 1 1 60 60 MET HA H 1 4.344 0.020 . 1 . . . A 60 MET HA . 25124 1 723 . 1 1 60 60 MET HB2 H 1 2.144 0.020 . 2 . . . A 60 MET HB2 . 25124 1 724 . 1 1 60 60 MET HB3 H 1 1.749 0.020 . 2 . . . A 60 MET HB3 . 25124 1 725 . 1 1 60 60 MET HG2 H 1 2.531 0.020 . 2 . . . A 60 MET HG2 . 25124 1 726 . 1 1 60 60 MET HG3 H 1 2.423 0.020 . 2 . . . A 60 MET HG3 . 25124 1 727 . 1 1 60 60 MET HE1 H 1 1.937 0.020 . 1 . . . A 60 MET HE1 . 25124 1 728 . 1 1 60 60 MET HE2 H 1 1.937 0.020 . 1 . . . A 60 MET HE2 . 25124 1 729 . 1 1 60 60 MET HE3 H 1 1.937 0.020 . 1 . . . A 60 MET HE3 . 25124 1 730 . 1 1 60 60 MET C C 13 174.190 0.3 . 1 . . . A 60 MET C . 25124 1 731 . 1 1 60 60 MET CA C 13 55.871 0.3 . 1 . . . A 60 MET CA . 25124 1 732 . 1 1 60 60 MET CB C 13 34.955 0.3 . 1 . . . A 60 MET CB . 25124 1 733 . 1 1 60 60 MET CG C 13 30.724 0.3 . 1 . . . A 60 MET CG . 25124 1 734 . 1 1 60 60 MET CE C 13 16.259 0.3 . 1 . . . A 60 MET CE . 25124 1 735 . 1 1 60 60 MET N N 15 124.343 0.3 . 1 . . . A 60 MET N . 25124 1 736 . 1 1 61 61 ASP H H 1 8.378 0.020 . 1 . . . A 61 ASP H . 25124 1 737 . 1 1 61 61 ASP HA H 1 4.870 0.020 . 1 . . . A 61 ASP HA . 25124 1 738 . 1 1 61 61 ASP HB2 H 1 3.326 0.020 . 2 . . . A 61 ASP HB2 . 25124 1 739 . 1 1 61 61 ASP HB3 H 1 2.779 0.020 . 2 . . . A 61 ASP HB3 . 25124 1 740 . 1 1 61 61 ASP C C 13 176.966 0.3 . 1 . . . A 61 ASP C . 25124 1 741 . 1 1 61 61 ASP CA C 13 53.490 0.3 . 1 . . . A 61 ASP CA . 25124 1 742 . 1 1 61 61 ASP CB C 13 42.347 0.3 . 1 . . . A 61 ASP CB . 25124 1 743 . 1 1 61 61 ASP N N 15 124.993 0.3 . 1 . . . A 61 ASP N . 25124 1 744 . 1 1 62 62 GLY H H 1 10.153 0.020 . 1 . . . A 62 GLY H . 25124 1 745 . 1 1 62 62 GLY HA2 H 1 4.640 0.020 . 2 . . . A 62 GLY HA2 . 25124 1 746 . 1 1 62 62 GLY HA3 H 1 3.756 0.020 . 2 . . . A 62 GLY HA3 . 25124 1 747 . 1 1 62 62 GLY C C 13 175.935 0.3 . 1 . . . A 62 GLY C . 25124 1 748 . 1 1 62 62 GLY CA C 13 46.755 0.3 . 1 . . . A 62 GLY CA . 25124 1 749 . 1 1 62 62 GLY N N 15 105.163 0.3 . 1 . . . A 62 GLY N . 25124 1 750 . 1 1 63 63 LEU H H 1 8.119 0.020 . 1 . . . A 63 LEU H . 25124 1 751 . 1 1 63 63 LEU HA H 1 4.293 0.020 . 1 . . . A 63 LEU HA . 25124 1 752 . 1 1 63 63 LEU HB2 H 1 2.029 0.020 . 2 . . . A 63 LEU HB2 . 25124 1 753 . 1 1 63 63 LEU HB3 H 1 1.466 0.020 . 2 . . . A 63 LEU HB3 . 25124 1 754 . 1 1 63 63 LEU HG H 1 1.641 0.020 . 1 . . . A 63 LEU HG . 25124 1 755 . 1 1 63 63 LEU HD11 H 1 0.959 0.020 . 2 . . . A 63 LEU HD11 . 25124 1 756 . 1 1 63 63 LEU HD12 H 1 0.959 0.020 . 2 . . . A 63 LEU HD12 . 25124 1 757 . 1 1 63 63 LEU HD13 H 1 0.959 0.020 . 2 . . . A 63 LEU HD13 . 25124 1 758 . 1 1 63 63 LEU HD21 H 1 0.757 0.020 . 2 . . . A 63 LEU HD21 . 25124 1 759 . 1 1 63 63 LEU HD22 H 1 0.757 0.020 . 2 . . . A 63 LEU HD22 . 25124 1 760 . 1 1 63 63 LEU HD23 H 1 0.757 0.020 . 2 . . . A 63 LEU HD23 . 25124 1 761 . 1 1 63 63 LEU C C 13 179.293 0.3 . 1 . . . A 63 LEU C . 25124 1 762 . 1 1 63 63 LEU CA C 13 57.148 0.3 . 1 . . . A 63 LEU CA . 25124 1 763 . 1 1 63 63 LEU CB C 13 40.053 0.3 . 1 . . . A 63 LEU CB . 25124 1 764 . 1 1 63 63 LEU CG C 13 27.789 0.3 . 1 . . . A 63 LEU CG . 25124 1 765 . 1 1 63 63 LEU CD1 C 13 25.151 0.3 . 1 . . . A 63 LEU CD1 . 25124 1 766 . 1 1 63 63 LEU CD2 C 13 22.217 0.3 . 1 . . . A 63 LEU CD2 . 25124 1 767 . 1 1 63 63 LEU N N 15 120.509 0.3 . 1 . . . A 63 LEU N . 25124 1 768 . 1 1 64 64 ALA H H 1 8.303 0.020 . 1 . . . A 64 ALA H . 25124 1 769 . 1 1 64 64 ALA HA H 1 4.112 0.020 . 1 . . . A 64 ALA HA . 25124 1 770 . 1 1 64 64 ALA HB1 H 1 1.503 0.020 . 1 . . . A 64 ALA HB1 . 25124 1 771 . 1 1 64 64 ALA HB2 H 1 1.503 0.020 . 1 . . . A 64 ALA HB2 . 25124 1 772 . 1 1 64 64 ALA HB3 H 1 1.503 0.020 . 1 . . . A 64 ALA HB3 . 25124 1 773 . 1 1 64 64 ALA C C 13 181.223 0.3 . 1 . . . A 64 ALA C . 25124 1 774 . 1 1 64 64 ALA CA C 13 54.802 0.3 . 1 . . . A 64 ALA CA . 25124 1 775 . 1 1 64 64 ALA CB C 13 18.133 0.3 . 1 . . . A 64 ALA CB . 25124 1 776 . 1 1 64 64 ALA N N 15 126.234 0.3 . 1 . . . A 64 ALA N . 25124 1 777 . 1 1 65 65 LEU H H 1 8.398 0.020 . 1 . . . A 65 LEU H . 25124 1 778 . 1 1 65 65 LEU HA H 1 4.044 0.020 . 1 . . . A 65 LEU HA . 25124 1 779 . 1 1 65 65 LEU HB2 H 1 2.058 0.020 . 2 . . . A 65 LEU HB2 . 25124 1 780 . 1 1 65 65 LEU HB3 H 1 1.261 0.020 . 2 . . . A 65 LEU HB3 . 25124 1 781 . 1 1 65 65 LEU HG H 1 1.485 0.020 . 1 . . . A 65 LEU HG . 25124 1 782 . 1 1 65 65 LEU HD11 H 1 0.873 0.020 . 2 . . . A 65 LEU HD11 . 25124 1 783 . 1 1 65 65 LEU HD12 H 1 0.873 0.020 . 2 . . . A 65 LEU HD12 . 25124 1 784 . 1 1 65 65 LEU HD13 H 1 0.873 0.020 . 2 . . . A 65 LEU HD13 . 25124 1 785 . 1 1 65 65 LEU HD21 H 1 0.918 0.020 . 2 . . . A 65 LEU HD21 . 25124 1 786 . 1 1 65 65 LEU HD22 H 1 0.918 0.020 . 2 . . . A 65 LEU HD22 . 25124 1 787 . 1 1 65 65 LEU HD23 H 1 0.918 0.020 . 2 . . . A 65 LEU HD23 . 25124 1 788 . 1 1 65 65 LEU C C 13 177.548 0.3 . 1 . . . A 65 LEU C . 25124 1 789 . 1 1 65 65 LEU CA C 13 58.197 0.3 . 1 . . . A 65 LEU CA . 25124 1 790 . 1 1 65 65 LEU CB C 13 41.727 0.3 . 1 . . . A 65 LEU CB . 25124 1 791 . 1 1 65 65 LEU CG C 13 27.217 0.3 . 1 . . . A 65 LEU CG . 25124 1 792 . 1 1 65 65 LEU CD1 C 13 23.371 0.3 . 1 . . . A 65 LEU CD1 . 25124 1 793 . 1 1 65 65 LEU CD2 C 13 26.533 0.3 . 1 . . . A 65 LEU CD2 . 25124 1 794 . 1 1 65 65 LEU N N 15 120.067 0.3 . 1 . . . A 65 LEU N . 25124 1 795 . 1 1 66 66 LEU H H 1 8.203 0.020 . 1 . . . A 66 LEU H . 25124 1 796 . 1 1 66 66 LEU HA H 1 3.848 0.020 . 1 . . . A 66 LEU HA . 25124 1 797 . 1 1 66 66 LEU HB2 H 1 2.236 0.020 . 2 . . . A 66 LEU HB2 . 25124 1 798 . 1 1 66 66 LEU HB3 H 1 1.688 0.020 . 2 . . . A 66 LEU HB3 . 25124 1 799 . 1 1 66 66 LEU HG H 1 1.567 0.020 . 1 . . . A 66 LEU HG . 25124 1 800 . 1 1 66 66 LEU HD11 H 1 0.787 0.020 . 2 . . . A 66 LEU HD11 . 25124 1 801 . 1 1 66 66 LEU HD12 H 1 0.787 0.020 . 2 . . . A 66 LEU HD12 . 25124 1 802 . 1 1 66 66 LEU HD13 H 1 0.787 0.020 . 2 . . . A 66 LEU HD13 . 25124 1 803 . 1 1 66 66 LEU HD21 H 1 0.839 0.020 . 2 . . . A 66 LEU HD21 . 25124 1 804 . 1 1 66 66 LEU HD22 H 1 0.839 0.020 . 2 . . . A 66 LEU HD22 . 25124 1 805 . 1 1 66 66 LEU HD23 H 1 0.839 0.020 . 2 . . . A 66 LEU HD23 . 25124 1 806 . 1 1 66 66 LEU C C 13 177.230 0.3 . 1 . . . A 66 LEU C . 25124 1 807 . 1 1 66 66 LEU CA C 13 58.736 0.3 . 1 . . . A 66 LEU CA . 25124 1 808 . 1 1 66 66 LEU CB C 13 41.803 0.3 . 1 . . . A 66 LEU CB . 25124 1 809 . 1 1 66 66 LEU CG C 13 26.786 0.3 . 1 . . . A 66 LEU CG . 25124 1 810 . 1 1 66 66 LEU CD1 C 13 23.588 0.3 . 1 . . . A 66 LEU CD1 . 25124 1 811 . 1 1 66 66 LEU CD2 C 13 27.402 0.3 . 1 . . . A 66 LEU CD2 . 25124 1 812 . 1 1 66 66 LEU N N 15 120.890 0.3 . 1 . . . A 66 LEU N . 25124 1 813 . 1 1 67 67 LYS H H 1 7.667 0.020 . 1 . . . A 67 LYS H . 25124 1 814 . 1 1 67 67 LYS HA H 1 4.004 0.020 . 1 . . . A 67 LYS HA . 25124 1 815 . 1 1 67 67 LYS HB2 H 1 1.931 0.020 . 1 . . . A 67 LYS HB2 . 25124 1 816 . 1 1 67 67 LYS HB3 H 1 1.931 0.020 . 1 . . . A 67 LYS HB3 . 25124 1 817 . 1 1 67 67 LYS HG2 H 1 1.591 0.020 . 2 . . . A 67 LYS HG2 . 25124 1 818 . 1 1 67 67 LYS HG3 H 1 1.388 0.020 . 2 . . . A 67 LYS HG3 . 25124 1 819 . 1 1 67 67 LYS HD2 H 1 1.683 0.020 . 1 . . . A 67 LYS HD2 . 25124 1 820 . 1 1 67 67 LYS HD3 H 1 1.683 0.020 . 1 . . . A 67 LYS HD3 . 25124 1 821 . 1 1 67 67 LYS HE2 H 1 2.934 0.020 . 1 . . . A 67 LYS HE2 . 25124 1 822 . 1 1 67 67 LYS HE3 H 1 2.934 0.020 . 1 . . . A 67 LYS HE3 . 25124 1 823 . 1 1 67 67 LYS C C 13 179.452 0.3 . 1 . . . A 67 LYS C . 25124 1 824 . 1 1 67 67 LYS CA C 13 59.733 0.3 . 1 . . . A 67 LYS CA . 25124 1 825 . 1 1 67 67 LYS CB C 13 32.415 0.3 . 1 . . . A 67 LYS CB . 25124 1 826 . 1 1 67 67 LYS CG C 13 24.949 0.3 . 1 . . . A 67 LYS CG . 25124 1 827 . 1 1 67 67 LYS CD C 13 29.458 0.3 . 1 . . . A 67 LYS CD . 25124 1 828 . 1 1 67 67 LYS CE C 13 41.902 0.3 . 1 . . . A 67 LYS CE . 25124 1 829 . 1 1 67 67 LYS N N 15 116.919 0.3 . 1 . . . A 67 LYS N . 25124 1 830 . 1 1 68 68 GLN H H 1 7.677 0.020 . 1 . . . A 68 GLN H . 25124 1 831 . 1 1 68 68 GLN HA H 1 4.046 0.020 . 1 . . . A 68 GLN HA . 25124 1 832 . 1 1 68 68 GLN HB2 H 1 2.177 0.020 . 2 . . . A 68 GLN HB2 . 25124 1 833 . 1 1 68 68 GLN HB3 H 1 2.135 0.020 . 2 . . . A 68 GLN HB3 . 25124 1 834 . 1 1 68 68 GLN HG2 H 1 2.447 0.020 . 2 . . . A 68 GLN HG2 . 25124 1 835 . 1 1 68 68 GLN HG3 H 1 2.398 0.020 . 2 . . . A 68 GLN HG3 . 25124 1 836 . 1 1 68 68 GLN HE21 H 1 6.720 0.020 . 1 . . . A 68 GLN HE21 . 25124 1 837 . 1 1 68 68 GLN HE22 H 1 7.242 0.020 . 1 . . . A 68 GLN HE22 . 25124 1 838 . 1 1 68 68 GLN C C 13 179.319 0.3 . 1 . . . A 68 GLN C . 25124 1 839 . 1 1 68 68 GLN CA C 13 58.820 0.3 . 1 . . . A 68 GLN CA . 25124 1 840 . 1 1 68 68 GLN CB C 13 28.660 0.3 . 1 . . . A 68 GLN CB . 25124 1 841 . 1 1 68 68 GLN CG C 13 34.193 0.3 . 1 . . . A 68 GLN CG . 25124 1 842 . 1 1 68 68 GLN CD C 13 179.690 0.3 . 1 . . . A 68 GLN CD . 25124 1 843 . 1 1 68 68 GLN N N 15 116.851 0.3 . 1 . . . A 68 GLN N . 25124 1 844 . 1 1 68 68 GLN NE2 N 15 110.865 0.3 . 1 . . . A 68 GLN NE2 . 25124 1 845 . 1 1 69 69 ILE H H 1 8.918 0.020 . 1 . . . A 69 ILE H . 25124 1 846 . 1 1 69 69 ILE HA H 1 3.564 0.020 . 1 . . . A 69 ILE HA . 25124 1 847 . 1 1 69 69 ILE HB H 1 1.988 0.020 . 1 . . . A 69 ILE HB . 25124 1 848 . 1 1 69 69 ILE HG12 H 1 1.639 0.020 . 2 . . . A 69 ILE HG12 . 25124 1 849 . 1 1 69 69 ILE HG13 H 1 1.079 0.020 . 2 . . . A 69 ILE HG13 . 25124 1 850 . 1 1 69 69 ILE HG21 H 1 0.884 0.020 . 1 . . . A 69 ILE HG21 . 25124 1 851 . 1 1 69 69 ILE HG22 H 1 0.884 0.020 . 1 . . . A 69 ILE HG22 . 25124 1 852 . 1 1 69 69 ILE HG23 H 1 0.884 0.020 . 1 . . . A 69 ILE HG23 . 25124 1 853 . 1 1 69 69 ILE HD11 H 1 0.650 0.020 . 1 . . . A 69 ILE HD11 . 25124 1 854 . 1 1 69 69 ILE HD12 H 1 0.650 0.020 . 1 . . . A 69 ILE HD12 . 25124 1 855 . 1 1 69 69 ILE HD13 H 1 0.650 0.020 . 1 . . . A 69 ILE HD13 . 25124 1 856 . 1 1 69 69 ILE C C 13 177.786 0.3 . 1 . . . A 69 ILE C . 25124 1 857 . 1 1 69 69 ILE CA C 13 65.381 0.3 . 1 . . . A 69 ILE CA . 25124 1 858 . 1 1 69 69 ILE CB C 13 37.186 0.3 . 1 . . . A 69 ILE CB . 25124 1 859 . 1 1 69 69 ILE CG1 C 13 29.077 0.3 . 1 . . . A 69 ILE CG1 . 25124 1 860 . 1 1 69 69 ILE CG2 C 13 17.835 0.3 . 1 . . . A 69 ILE CG2 . 25124 1 861 . 1 1 69 69 ILE CD1 C 13 13.933 0.3 . 1 . . . A 69 ILE CD1 . 25124 1 862 . 1 1 69 69 ILE N N 15 120.670 0.3 . 1 . . . A 69 ILE N . 25124 1 863 . 1 1 70 70 LYS H H 1 8.592 0.020 . 1 . . . A 70 LYS H . 25124 1 864 . 1 1 70 70 LYS HA H 1 3.936 0.020 . 1 . . . A 70 LYS HA . 25124 1 865 . 1 1 70 70 LYS HB2 H 1 2.057 0.020 . 2 . . . A 70 LYS HB2 . 25124 1 866 . 1 1 70 70 LYS HB3 H 1 1.827 0.020 . 2 . . . A 70 LYS HB3 . 25124 1 867 . 1 1 70 70 LYS HG2 H 1 1.674 0.020 . 2 . . . A 70 LYS HG2 . 25124 1 868 . 1 1 70 70 LYS HG3 H 1 1.645 0.020 . 2 . . . A 70 LYS HG3 . 25124 1 869 . 1 1 70 70 LYS HD2 H 1 1.831 0.020 . 2 . . . A 70 LYS HD2 . 25124 1 870 . 1 1 70 70 LYS HD3 H 1 1.783 0.020 . 2 . . . A 70 LYS HD3 . 25124 1 871 . 1 1 70 70 LYS HE2 H 1 3.114 0.020 . 2 . . . A 70 LYS HE2 . 25124 1 872 . 1 1 70 70 LYS HE3 H 1 2.948 0.020 . 2 . . . A 70 LYS HE3 . 25124 1 873 . 1 1 70 70 LYS C C 13 177.944 0.3 . 1 . . . A 70 LYS C . 25124 1 874 . 1 1 70 70 LYS CA C 13 57.351 0.3 . 1 . . . A 70 LYS CA . 25124 1 875 . 1 1 70 70 LYS CB C 13 31.440 0.3 . 1 . . . A 70 LYS CB . 25124 1 876 . 1 1 70 70 LYS CG C 13 24.410 0.3 . 1 . . . A 70 LYS CG . 25124 1 877 . 1 1 70 70 LYS CD C 13 28.408 0.3 . 1 . . . A 70 LYS CD . 25124 1 878 . 1 1 70 70 LYS CE C 13 42.380 0.3 . 1 . . . A 70 LYS CE . 25124 1 879 . 1 1 70 70 LYS N N 15 118.002 0.3 . 1 . . . A 70 LYS N . 25124 1 880 . 1 1 71 71 GLN H H 1 7.266 0.020 . 1 . . . A 71 GLN H . 25124 1 881 . 1 1 71 71 GLN HA H 1 4.063 0.020 . 1 . . . A 71 GLN HA . 25124 1 882 . 1 1 71 71 GLN HB2 H 1 2.147 0.020 . 2 . . . A 71 GLN HB2 . 25124 1 883 . 1 1 71 71 GLN HB3 H 1 2.101 0.020 . 2 . . . A 71 GLN HB3 . 25124 1 884 . 1 1 71 71 GLN HG2 H 1 2.539 0.020 . 2 . . . A 71 GLN HG2 . 25124 1 885 . 1 1 71 71 GLN HG3 H 1 2.395 0.020 . 2 . . . A 71 GLN HG3 . 25124 1 886 . 1 1 71 71 GLN HE21 H 1 6.779 0.020 . 1 . . . A 71 GLN HE21 . 25124 1 887 . 1 1 71 71 GLN HE22 H 1 7.357 0.020 . 1 . . . A 71 GLN HE22 . 25124 1 888 . 1 1 71 71 GLN C C 13 177.019 0.3 . 1 . . . A 71 GLN C . 25124 1 889 . 1 1 71 71 GLN CA C 13 58.007 0.3 . 1 . . . A 71 GLN CA . 25124 1 890 . 1 1 71 71 GLN CB C 13 29.168 0.3 . 1 . . . A 71 GLN CB . 25124 1 891 . 1 1 71 71 GLN CG C 13 33.970 0.3 . 1 . . . A 71 GLN CG . 25124 1 892 . 1 1 71 71 GLN CD C 13 179.954 0.3 . 1 . . . A 71 GLN CD . 25124 1 893 . 1 1 71 71 GLN N N 15 114.891 0.3 . 1 . . . A 71 GLN N . 25124 1 894 . 1 1 71 71 GLN NE2 N 15 111.032 0.3 . 1 . . . A 71 GLN NE2 . 25124 1 895 . 1 1 72 72 ARG H H 1 7.254 0.020 . 1 . . . A 72 ARG H . 25124 1 896 . 1 1 72 72 ARG HA H 1 4.130 0.020 . 1 . . . A 72 ARG HA . 25124 1 897 . 1 1 72 72 ARG HB2 H 1 1.536 0.020 . 2 . . . A 72 ARG HB2 . 25124 1 898 . 1 1 72 72 ARG HB3 H 1 1.515 0.020 . 2 . . . A 72 ARG HB3 . 25124 1 899 . 1 1 72 72 ARG HG2 H 1 1.567 0.020 . 2 . . . A 72 ARG HG2 . 25124 1 900 . 1 1 72 72 ARG HG3 H 1 1.451 0.020 . 2 . . . A 72 ARG HG3 . 25124 1 901 . 1 1 72 72 ARG HD2 H 1 3.117 0.020 . 2 . . . A 72 ARG HD2 . 25124 1 902 . 1 1 72 72 ARG HD3 H 1 3.013 0.020 . 2 . . . A 72 ARG HD3 . 25124 1 903 . 1 1 72 72 ARG C C 13 175.803 0.3 . 1 . . . A 72 ARG C . 25124 1 904 . 1 1 72 72 ARG CA C 13 57.174 0.3 . 1 . . . A 72 ARG CA . 25124 1 905 . 1 1 72 72 ARG CB C 13 32.638 0.3 . 1 . . . A 72 ARG CB . 25124 1 906 . 1 1 72 72 ARG CG C 13 27.368 0.3 . 1 . . . A 72 ARG CG . 25124 1 907 . 1 1 72 72 ARG CD C 13 43.321 0.3 . 1 . . . A 72 ARG CD . 25124 1 908 . 1 1 72 72 ARG N N 15 116.364 0.3 . 1 . . . A 72 ARG N . 25124 1 909 . 1 1 73 73 HIS H H 1 8.828 0.020 . 1 . . . A 73 HIS H . 25124 1 910 . 1 1 73 73 HIS HA H 1 4.994 0.020 . 1 . . . A 73 HIS HA . 25124 1 911 . 1 1 73 73 HIS HB2 H 1 2.957 0.020 . 2 . . . A 73 HIS HB2 . 25124 1 912 . 1 1 73 73 HIS HB3 H 1 2.925 0.020 . 2 . . . A 73 HIS HB3 . 25124 1 913 . 1 1 73 73 HIS HD2 H 1 6.585 0.020 . 1 . . . A 73 HIS HD2 . 25124 1 914 . 1 1 73 73 HIS HE1 H 1 7.771 0.020 . 1 . . . A 73 HIS HE1 . 25124 1 915 . 1 1 73 73 HIS CA C 13 53.252 0.3 . 1 . . . A 73 HIS CA . 25124 1 916 . 1 1 73 73 HIS CB C 13 31.026 0.3 . 1 . . . A 73 HIS CB . 25124 1 917 . 1 1 73 73 HIS CD2 C 13 121.064 0.3 . 1 . . . A 73 HIS CD2 . 25124 1 918 . 1 1 73 73 HIS CE1 C 13 139.369 0.3 . 1 . . . A 73 HIS CE1 . 25124 1 919 . 1 1 73 73 HIS N N 15 116.981 0.3 . 1 . . . A 73 HIS N . 25124 1 920 . 1 1 74 74 PRO HA H 1 4.435 0.020 . 1 . . . A 74 PRO HA . 25124 1 921 . 1 1 74 74 PRO HB2 H 1 1.939 0.020 . 2 . . . A 74 PRO HB2 . 25124 1 922 . 1 1 74 74 PRO HB3 H 1 2.496 0.020 . 2 . . . A 74 PRO HB3 . 25124 1 923 . 1 1 74 74 PRO HG2 H 1 2.048 0.020 . 2 . . . A 74 PRO HG2 . 25124 1 924 . 1 1 74 74 PRO HG3 H 1 1.947 0.020 . 2 . . . A 74 PRO HG3 . 25124 1 925 . 1 1 74 74 PRO HD2 H 1 3.639 0.020 . 2 . . . A 74 PRO HD2 . 25124 1 926 . 1 1 74 74 PRO HD3 H 1 3.245 0.020 . 2 . . . A 74 PRO HD3 . 25124 1 927 . 1 1 74 74 PRO C C 13 178.156 0.3 . 1 . . . A 74 PRO C . 25124 1 928 . 1 1 74 74 PRO CA C 13 65.284 0.3 . 1 . . . A 74 PRO CA . 25124 1 929 . 1 1 74 74 PRO CB C 13 32.130 0.3 . 1 . . . A 74 PRO CB . 25124 1 930 . 1 1 74 74 PRO CG C 13 27.270 0.3 . 1 . . . A 74 PRO CG . 25124 1 931 . 1 1 74 74 PRO CD C 13 50.060 0.3 . 1 . . . A 74 PRO CD . 25124 1 932 . 1 1 75 75 MET H H 1 8.648 0.020 . 1 . . . A 75 MET H . 25124 1 933 . 1 1 75 75 MET HA H 1 4.587 0.020 . 1 . . . A 75 MET HA . 25124 1 934 . 1 1 75 75 MET HB2 H 1 2.240 0.020 . 2 . . . A 75 MET HB2 . 25124 1 935 . 1 1 75 75 MET HB3 H 1 1.986 0.020 . 2 . . . A 75 MET HB3 . 25124 1 936 . 1 1 75 75 MET HG2 H 1 2.682 0.020 . 2 . . . A 75 MET HG2 . 25124 1 937 . 1 1 75 75 MET HG3 H 1 2.460 0.020 . 2 . . . A 75 MET HG3 . 25124 1 938 . 1 1 75 75 MET HE1 H 1 2.106 0.020 . 1 . . . A 75 MET HE1 . 25124 1 939 . 1 1 75 75 MET HE2 H 1 2.106 0.020 . 1 . . . A 75 MET HE2 . 25124 1 940 . 1 1 75 75 MET HE3 H 1 2.106 0.020 . 1 . . . A 75 MET HE3 . 25124 1 941 . 1 1 75 75 MET C C 13 176.067 0.3 . 1 . . . A 75 MET C . 25124 1 942 . 1 1 75 75 MET CA C 13 54.304 0.3 . 1 . . . A 75 MET CA . 25124 1 943 . 1 1 75 75 MET CB C 13 31.623 0.3 . 1 . . . A 75 MET CB . 25124 1 944 . 1 1 75 75 MET CG C 13 32.720 0.3 . 1 . . . A 75 MET CG . 25124 1 945 . 1 1 75 75 MET CE C 13 16.940 0.3 . 1 . . . A 75 MET CE . 25124 1 946 . 1 1 75 75 MET N N 15 114.676 0.3 . 1 . . . A 75 MET N . 25124 1 947 . 1 1 76 76 LEU H H 1 7.342 0.020 . 1 . . . A 76 LEU H . 25124 1 948 . 1 1 76 76 LEU HA H 1 4.293 0.020 . 1 . . . A 76 LEU HA . 25124 1 949 . 1 1 76 76 LEU HB2 H 1 1.802 0.020 . 2 . . . A 76 LEU HB2 . 25124 1 950 . 1 1 76 76 LEU HB3 H 1 1.286 0.020 . 2 . . . A 76 LEU HB3 . 25124 1 951 . 1 1 76 76 LEU HG H 1 1.279 0.020 . 1 . . . A 76 LEU HG . 25124 1 952 . 1 1 76 76 LEU HD11 H 1 0.402 0.020 . 2 . . . A 76 LEU HD11 . 25124 1 953 . 1 1 76 76 LEU HD12 H 1 0.402 0.020 . 2 . . . A 76 LEU HD12 . 25124 1 954 . 1 1 76 76 LEU HD13 H 1 0.402 0.020 . 2 . . . A 76 LEU HD13 . 25124 1 955 . 1 1 76 76 LEU HD21 H 1 0.410 0.020 . 2 . . . A 76 LEU HD21 . 25124 1 956 . 1 1 76 76 LEU HD22 H 1 0.410 0.020 . 2 . . . A 76 LEU HD22 . 25124 1 957 . 1 1 76 76 LEU HD23 H 1 0.410 0.020 . 2 . . . A 76 LEU HD23 . 25124 1 958 . 1 1 76 76 LEU CA C 13 53.472 0.3 . 1 . . . A 76 LEU CA . 25124 1 959 . 1 1 76 76 LEU CB C 13 43.540 0.3 . 1 . . . A 76 LEU CB . 25124 1 960 . 1 1 76 76 LEU CG C 13 27.000 0.3 . 1 . . . A 76 LEU CG . 25124 1 961 . 1 1 76 76 LEU CD1 C 13 25.213 0.3 . 1 . . . A 76 LEU CD1 . 25124 1 962 . 1 1 76 76 LEU CD2 C 13 25.321 0.3 . 1 . . . A 76 LEU CD2 . 25124 1 963 . 1 1 76 76 LEU N N 15 125.720 0.3 . 1 . . . A 76 LEU N . 25124 1 964 . 1 1 77 77 PRO HA H 1 4.440 0.020 . 1 . . . A 77 PRO HA . 25124 1 965 . 1 1 77 77 PRO HB2 H 1 1.360 0.020 . 2 . . . A 77 PRO HB2 . 25124 1 966 . 1 1 77 77 PRO HB3 H 1 1.693 0.020 . 2 . . . A 77 PRO HB3 . 25124 1 967 . 1 1 77 77 PRO HG2 H 1 2.108 0.020 . 2 . . . A 77 PRO HG2 . 25124 1 968 . 1 1 77 77 PRO HG3 H 1 1.696 0.020 . 2 . . . A 77 PRO HG3 . 25124 1 969 . 1 1 77 77 PRO HD2 H 1 3.976 0.020 . 2 . . . A 77 PRO HD2 . 25124 1 970 . 1 1 77 77 PRO HD3 H 1 3.893 0.020 . 2 . . . A 77 PRO HD3 . 25124 1 971 . 1 1 77 77 PRO C C 13 175.062 0.3 . 1 . . . A 77 PRO C . 25124 1 972 . 1 1 77 77 PRO CA C 13 62.841 0.3 . 1 . . . A 77 PRO CA . 25124 1 973 . 1 1 77 77 PRO CB C 13 31.903 0.3 . 1 . . . A 77 PRO CB . 25124 1 974 . 1 1 77 77 PRO CG C 13 27.743 0.3 . 1 . . . A 77 PRO CG . 25124 1 975 . 1 1 77 77 PRO CD C 13 51.131 0.3 . 1 . . . A 77 PRO CD . 25124 1 976 . 1 1 78 78 VAL H H 1 8.369 0.020 . 1 . . . A 78 VAL H . 25124 1 977 . 1 1 78 78 VAL HA H 1 5.093 0.020 . 1 . . . A 78 VAL HA . 25124 1 978 . 1 1 78 78 VAL HB H 1 1.874 0.020 . 1 . . . A 78 VAL HB . 25124 1 979 . 1 1 78 78 VAL HG11 H 1 0.797 0.020 . 2 . . . A 78 VAL HG11 . 25124 1 980 . 1 1 78 78 VAL HG12 H 1 0.797 0.020 . 2 . . . A 78 VAL HG12 . 25124 1 981 . 1 1 78 78 VAL HG13 H 1 0.797 0.020 . 2 . . . A 78 VAL HG13 . 25124 1 982 . 1 1 78 78 VAL HG21 H 1 0.918 0.020 . 2 . . . A 78 VAL HG21 . 25124 1 983 . 1 1 78 78 VAL HG22 H 1 0.918 0.020 . 2 . . . A 78 VAL HG22 . 25124 1 984 . 1 1 78 78 VAL HG23 H 1 0.918 0.020 . 2 . . . A 78 VAL HG23 . 25124 1 985 . 1 1 78 78 VAL C C 13 175.776 0.3 . 1 . . . A 78 VAL C . 25124 1 986 . 1 1 78 78 VAL CA C 13 60.083 0.3 . 1 . . . A 78 VAL CA . 25124 1 987 . 1 1 78 78 VAL CB C 13 34.245 0.3 . 1 . . . A 78 VAL CB . 25124 1 988 . 1 1 78 78 VAL CG1 C 13 21.287 0.3 . 1 . . . A 78 VAL CG1 . 25124 1 989 . 1 1 78 78 VAL CG2 C 13 21.481 0.3 . 1 . . . A 78 VAL CG2 . 25124 1 990 . 1 1 78 78 VAL N N 15 123.116 0.3 . 1 . . . A 78 VAL N . 25124 1 991 . 1 1 79 79 ILE H H 1 9.436 0.020 . 1 . . . A 79 ILE H . 25124 1 992 . 1 1 79 79 ILE HA H 1 4.499 0.020 . 1 . . . A 79 ILE HA . 25124 1 993 . 1 1 79 79 ILE HB H 1 1.616 0.020 . 1 . . . A 79 ILE HB . 25124 1 994 . 1 1 79 79 ILE HG12 H 1 1.582 0.020 . 2 . . . A 79 ILE HG12 . 25124 1 995 . 1 1 79 79 ILE HG13 H 1 0.924 0.020 . 2 . . . A 79 ILE HG13 . 25124 1 996 . 1 1 79 79 ILE HG21 H 1 0.626 0.020 . 1 . . . A 79 ILE HG21 . 25124 1 997 . 1 1 79 79 ILE HG22 H 1 0.626 0.020 . 1 . . . A 79 ILE HG22 . 25124 1 998 . 1 1 79 79 ILE HG23 H 1 0.626 0.020 . 1 . . . A 79 ILE HG23 . 25124 1 999 . 1 1 79 79 ILE HD11 H 1 0.703 0.020 . 1 . . . A 79 ILE HD11 . 25124 1 1000 . 1 1 79 79 ILE HD12 H 1 0.703 0.020 . 1 . . . A 79 ILE HD12 . 25124 1 1001 . 1 1 79 79 ILE HD13 H 1 0.703 0.020 . 1 . . . A 79 ILE HD13 . 25124 1 1002 . 1 1 79 79 ILE C C 13 174.295 0.3 . 1 . . . A 79 ILE C . 25124 1 1003 . 1 1 79 79 ILE CA C 13 60.030 0.3 . 1 . . . A 79 ILE CA . 25124 1 1004 . 1 1 79 79 ILE CB C 13 40.222 0.3 . 1 . . . A 79 ILE CB . 25124 1 1005 . 1 1 79 79 ILE CG1 C 13 29.214 0.3 . 1 . . . A 79 ILE CG1 . 25124 1 1006 . 1 1 79 79 ILE CG2 C 13 18.322 0.3 . 1 . . . A 79 ILE CG2 . 25124 1 1007 . 1 1 79 79 ILE CD1 C 13 14.765 0.3 . 1 . . . A 79 ILE CD1 . 25124 1 1008 . 1 1 79 79 ILE N N 15 129.166 0.3 . 1 . . . A 79 ILE N . 25124 1 1009 . 1 1 80 80 ILE H H 1 7.920 0.020 . 1 . . . A 80 ILE H . 25124 1 1010 . 1 1 80 80 ILE HA H 1 5.253 0.020 . 1 . . . A 80 ILE HA . 25124 1 1011 . 1 1 80 80 ILE HB H 1 1.831 0.020 . 1 . . . A 80 ILE HB . 25124 1 1012 . 1 1 80 80 ILE HG12 H 1 1.526 0.020 . 2 . . . A 80 ILE HG12 . 25124 1 1013 . 1 1 80 80 ILE HG13 H 1 1.247 0.020 . 2 . . . A 80 ILE HG13 . 25124 1 1014 . 1 1 80 80 ILE HG21 H 1 0.838 0.020 . 1 . . . A 80 ILE HG21 . 25124 1 1015 . 1 1 80 80 ILE HG22 H 1 0.838 0.020 . 1 . . . A 80 ILE HG22 . 25124 1 1016 . 1 1 80 80 ILE HG23 H 1 0.838 0.020 . 1 . . . A 80 ILE HG23 . 25124 1 1017 . 1 1 80 80 ILE HD11 H 1 0.694 0.020 . 1 . . . A 80 ILE HD11 . 25124 1 1018 . 1 1 80 80 ILE HD12 H 1 0.694 0.020 . 1 . . . A 80 ILE HD12 . 25124 1 1019 . 1 1 80 80 ILE HD13 H 1 0.694 0.020 . 1 . . . A 80 ILE HD13 . 25124 1 1020 . 1 1 80 80 ILE C C 13 173.449 0.3 . 1 . . . A 80 ILE C . 25124 1 1021 . 1 1 80 80 ILE CA C 13 56.265 0.3 . 1 . . . A 80 ILE CA . 25124 1 1022 . 1 1 80 80 ILE CB C 13 38.176 0.3 . 1 . . . A 80 ILE CB . 25124 1 1023 . 1 1 80 80 ILE CG1 C 13 27.082 0.3 . 1 . . . A 80 ILE CG1 . 25124 1 1024 . 1 1 80 80 ILE CG2 C 13 18.177 0.3 . 1 . . . A 80 ILE CG2 . 25124 1 1025 . 1 1 80 80 ILE CD1 C 13 9.407 0.3 . 1 . . . A 80 ILE CD1 . 25124 1 1026 . 1 1 80 80 ILE N N 15 128.234 0.3 . 1 . . . A 80 ILE N . 25124 1 1027 . 1 1 81 81 MET H H 1 9.028 0.020 . 1 . . . A 81 MET H . 25124 1 1028 . 1 1 81 81 MET HA H 1 5.489 0.020 . 1 . . . A 81 MET HA . 25124 1 1029 . 1 1 81 81 MET HB2 H 1 1.790 0.020 . 1 . . . A 81 MET HB2 . 25124 1 1030 . 1 1 81 81 MET HB3 H 1 1.790 0.020 . 1 . . . A 81 MET HB3 . 25124 1 1031 . 1 1 81 81 MET HG2 H 1 2.462 0.020 . 2 . . . A 81 MET HG2 . 25124 1 1032 . 1 1 81 81 MET HG3 H 1 2.325 0.020 . 2 . . . A 81 MET HG3 . 25124 1 1033 . 1 1 81 81 MET HE1 H 1 2.075 0.020 . 1 . . . A 81 MET HE1 . 25124 1 1034 . 1 1 81 81 MET HE2 H 1 2.075 0.020 . 1 . . . A 81 MET HE2 . 25124 1 1035 . 1 1 81 81 MET HE3 H 1 2.075 0.020 . 1 . . . A 81 MET HE3 . 25124 1 1036 . 1 1 81 81 MET C C 13 173.820 0.3 . 1 . . . A 81 MET C . 25124 1 1037 . 1 1 81 81 MET CA C 13 52.889 0.3 . 1 . . . A 81 MET CA . 25124 1 1038 . 1 1 81 81 MET CB C 13 36.663 0.3 . 1 . . . A 81 MET CB . 25124 1 1039 . 1 1 81 81 MET CG C 13 31.976 0.3 . 1 . . . A 81 MET CG . 25124 1 1040 . 1 1 81 81 MET CE C 13 18.392 0.3 . 1 . . . A 81 MET CE . 25124 1 1041 . 1 1 81 81 MET N N 15 124.079 0.3 . 1 . . . A 81 MET N . 25124 1 1042 . 1 1 82 82 THR H H 1 7.098 0.020 . 1 . . . A 82 THR H . 25124 1 1043 . 1 1 82 82 THR HA H 1 5.134 0.020 . 1 . . . A 82 THR HA . 25124 1 1044 . 1 1 82 82 THR HB H 1 4.437 0.020 . 1 . . . A 82 THR HB . 25124 1 1045 . 1 1 82 82 THR HG21 H 1 1.116 0.020 . 1 . . . A 82 THR HG21 . 25124 1 1046 . 1 1 82 82 THR HG22 H 1 1.116 0.020 . 1 . . . A 82 THR HG22 . 25124 1 1047 . 1 1 82 82 THR HG23 H 1 1.116 0.020 . 1 . . . A 82 THR HG23 . 25124 1 1048 . 1 1 82 82 THR C C 13 172.550 0.3 . 1 . . . A 82 THR C . 25124 1 1049 . 1 1 82 82 THR CA C 13 60.642 0.3 . 1 . . . A 82 THR CA . 25124 1 1050 . 1 1 82 82 THR CB C 13 68.843 0.3 . 1 . . . A 82 THR CB . 25124 1 1051 . 1 1 82 82 THR CG2 C 13 18.291 0.3 . 1 . . . A 82 THR CG2 . 25124 1 1052 . 1 1 82 82 THR N N 15 108.434 0.3 . 1 . . . A 82 THR N . 25124 1 1053 . 1 1 83 83 ALA H H 1 8.590 0.020 . 1 . . . A 83 ALA H . 25124 1 1054 . 1 1 83 83 ALA HA H 1 4.678 0.020 . 1 . . . A 83 ALA HA . 25124 1 1055 . 1 1 83 83 ALA HB1 H 1 1.360 0.020 . 1 . . . A 83 ALA HB1 . 25124 1 1056 . 1 1 83 83 ALA HB2 H 1 1.360 0.020 . 1 . . . A 83 ALA HB2 . 25124 1 1057 . 1 1 83 83 ALA HB3 H 1 1.360 0.020 . 1 . . . A 83 ALA HB3 . 25124 1 1058 . 1 1 83 83 ALA C C 13 177.812 0.3 . 1 . . . A 83 ALA C . 25124 1 1059 . 1 1 83 83 ALA CA C 13 52.457 0.3 . 1 . . . A 83 ALA CA . 25124 1 1060 . 1 1 83 83 ALA CB C 13 19.396 0.3 . 1 . . . A 83 ALA CB . 25124 1 1061 . 1 1 83 83 ALA N N 15 128.991 0.3 . 1 . . . A 83 ALA N . 25124 1 1062 . 1 1 84 84 HIS H H 1 8.865 0.020 . 1 . . . A 84 HIS H . 25124 1 1063 . 1 1 84 84 HIS HA H 1 4.576 0.020 . 1 . . . A 84 HIS HA . 25124 1 1064 . 1 1 84 84 HIS HB2 H 1 3.238 0.020 . 2 . . . A 84 HIS HB2 . 25124 1 1065 . 1 1 84 84 HIS HB3 H 1 3.204 0.020 . 2 . . . A 84 HIS HB3 . 25124 1 1066 . 1 1 84 84 HIS HD2 H 1 7.178 0.020 . 1 . . . A 84 HIS HD2 . 25124 1 1067 . 1 1 84 84 HIS HE1 H 1 7.955 0.020 . 1 . . . A 84 HIS HE1 . 25124 1 1068 . 1 1 84 84 HIS C C 13 175.512 0.3 . 1 . . . A 84 HIS C . 25124 1 1069 . 1 1 84 84 HIS CA C 13 56.674 0.3 . 1 . . . A 84 HIS CA . 25124 1 1070 . 1 1 84 84 HIS CB C 13 29.589 0.3 . 1 . . . A 84 HIS CB . 25124 1 1071 . 1 1 84 84 HIS CD2 C 13 121.242 0.3 . 1 . . . A 84 HIS CD2 . 25124 1 1072 . 1 1 84 84 HIS CE1 C 13 138.606 0.3 . 1 . . . A 84 HIS CE1 . 25124 1 1073 . 1 1 84 84 HIS N N 15 121.904 0.3 . 1 . . . A 84 HIS N . 25124 1 1074 . 1 1 85 85 SER H H 1 8.016 0.020 . 1 . . . A 85 SER H . 25124 1 1075 . 1 1 85 85 SER HA H 1 4.303 0.020 . 1 . . . A 85 SER HA . 25124 1 1076 . 1 1 85 85 SER HB2 H 1 3.960 0.020 . 2 . . . A 85 SER HB2 . 25124 1 1077 . 1 1 85 85 SER HB3 H 1 3.878 0.020 . 2 . . . A 85 SER HB3 . 25124 1 1078 . 1 1 85 85 SER C C 13 174.560 0.3 . 1 . . . A 85 SER C . 25124 1 1079 . 1 1 85 85 SER CA C 13 58.970 0.3 . 1 . . . A 85 SER CA . 25124 1 1080 . 1 1 85 85 SER CB C 13 62.829 0.3 . 1 . . . A 85 SER CB . 25124 1 1081 . 1 1 85 85 SER N N 15 114.679 0.3 . 1 . . . A 85 SER N . 25124 1 1082 . 1 1 86 86 ASP H H 1 8.054 0.020 . 1 . . . A 86 ASP H . 25124 1 1083 . 1 1 86 86 ASP HA H 1 4.761 0.020 . 1 . . . A 86 ASP HA . 25124 1 1084 . 1 1 86 86 ASP HB2 H 1 2.946 0.020 . 2 . . . A 86 ASP HB2 . 25124 1 1085 . 1 1 86 86 ASP HB3 H 1 2.728 0.020 . 2 . . . A 86 ASP HB3 . 25124 1 1086 . 1 1 86 86 ASP C C 13 176.094 0.3 . 1 . . . A 86 ASP C . 25124 1 1087 . 1 1 86 86 ASP CA C 13 53.627 0.3 . 1 . . . A 86 ASP CA . 25124 1 1088 . 1 1 86 86 ASP CB C 13 40.942 0.3 . 1 . . . A 86 ASP CB . 25124 1 1089 . 1 1 86 86 ASP N N 15 122.325 0.3 . 1 . . . A 86 ASP N . 25124 1 1090 . 1 1 87 87 LEU H H 1 8.005 0.020 . 1 . . . A 87 LEU H . 25124 1 1091 . 1 1 87 87 LEU HA H 1 4.069 0.020 . 1 . . . A 87 LEU HA . 25124 1 1092 . 1 1 87 87 LEU HB2 H 1 1.706 0.020 . 2 . . . A 87 LEU HB2 . 25124 1 1093 . 1 1 87 87 LEU HB3 H 1 1.602 0.020 . 2 . . . A 87 LEU HB3 . 25124 1 1094 . 1 1 87 87 LEU HG H 1 1.689 0.020 . 1 . . . A 87 LEU HG . 25124 1 1095 . 1 1 87 87 LEU HD11 H 1 0.907 0.020 . 2 . . . A 87 LEU HD11 . 25124 1 1096 . 1 1 87 87 LEU HD12 H 1 0.907 0.020 . 2 . . . A 87 LEU HD12 . 25124 1 1097 . 1 1 87 87 LEU HD13 H 1 0.907 0.020 . 2 . . . A 87 LEU HD13 . 25124 1 1098 . 1 1 87 87 LEU HD21 H 1 0.835 0.020 . 2 . . . A 87 LEU HD21 . 25124 1 1099 . 1 1 87 87 LEU HD22 H 1 0.835 0.020 . 2 . . . A 87 LEU HD22 . 25124 1 1100 . 1 1 87 87 LEU HD23 H 1 0.835 0.020 . 2 . . . A 87 LEU HD23 . 25124 1 1101 . 1 1 87 87 LEU C C 13 177.892 0.3 . 1 . . . A 87 LEU C . 25124 1 1102 . 1 1 87 87 LEU CA C 13 57.182 0.3 . 1 . . . A 87 LEU CA . 25124 1 1103 . 1 1 87 87 LEU CB C 13 42.015 0.3 . 1 . . . A 87 LEU CB . 25124 1 1104 . 1 1 87 87 LEU CG C 13 26.882 0.3 . 1 . . . A 87 LEU CG . 25124 1 1105 . 1 1 87 87 LEU CD1 C 13 24.737 0.3 . 1 . . . A 87 LEU CD1 . 25124 1 1106 . 1 1 87 87 LEU CD2 C 13 23.808 0.3 . 1 . . . A 87 LEU CD2 . 25124 1 1107 . 1 1 87 87 LEU N N 15 122.041 0.3 . 1 . . . A 87 LEU N . 25124 1 1108 . 1 1 88 88 ASP H H 1 8.243 0.020 . 1 . . . A 88 ASP H . 25124 1 1109 . 1 1 88 88 ASP HA H 1 4.370 0.020 . 1 . . . A 88 ASP HA . 25124 1 1110 . 1 1 88 88 ASP HB2 H 1 2.678 0.020 . 2 . . . A 88 ASP HB2 . 25124 1 1111 . 1 1 88 88 ASP HB3 H 1 2.603 0.020 . 2 . . . A 88 ASP HB3 . 25124 1 1112 . 1 1 88 88 ASP C C 13 178.103 0.3 . 1 . . . A 88 ASP C . 25124 1 1113 . 1 1 88 88 ASP CA C 13 56.342 0.3 . 1 . . . A 88 ASP CA . 25124 1 1114 . 1 1 88 88 ASP CB C 13 40.280 0.3 . 1 . . . A 88 ASP CB . 25124 1 1115 . 1 1 88 88 ASP N N 15 118.050 0.3 . 1 . . . A 88 ASP N . 25124 1 1116 . 1 1 89 89 ALA H H 1 7.890 0.020 . 1 . . . A 89 ALA H . 25124 1 1117 . 1 1 89 89 ALA HA H 1 4.038 0.020 . 1 . . . A 89 ALA HA . 25124 1 1118 . 1 1 89 89 ALA HB1 H 1 1.446 0.020 . 1 . . . A 89 ALA HB1 . 25124 1 1119 . 1 1 89 89 ALA HB2 H 1 1.446 0.020 . 1 . . . A 89 ALA HB2 . 25124 1 1120 . 1 1 89 89 ALA HB3 H 1 1.446 0.020 . 1 . . . A 89 ALA HB3 . 25124 1 1121 . 1 1 89 89 ALA C C 13 178.526 0.3 . 1 . . . A 89 ALA C . 25124 1 1122 . 1 1 89 89 ALA CA C 13 54.655 0.3 . 1 . . . A 89 ALA CA . 25124 1 1123 . 1 1 89 89 ALA CB C 13 18.809 0.3 . 1 . . . A 89 ALA CB . 25124 1 1124 . 1 1 89 89 ALA N N 15 122.780 0.3 . 1 . . . A 89 ALA N . 25124 1 1125 . 1 1 90 90 ALA H H 1 7.513 0.020 . 1 . . . A 90 ALA H . 25124 1 1126 . 1 1 90 90 ALA HA H 1 3.254 0.020 . 1 . . . A 90 ALA HA . 25124 1 1127 . 1 1 90 90 ALA HB1 H 1 0.936 0.020 . 1 . . . A 90 ALA HB1 . 25124 1 1128 . 1 1 90 90 ALA HB2 H 1 0.936 0.020 . 1 . . . A 90 ALA HB2 . 25124 1 1129 . 1 1 90 90 ALA HB3 H 1 0.936 0.020 . 1 . . . A 90 ALA HB3 . 25124 1 1130 . 1 1 90 90 ALA C C 13 178.976 0.3 . 1 . . . A 90 ALA C . 25124 1 1131 . 1 1 90 90 ALA CA C 13 55.050 0.3 . 1 . . . A 90 ALA CA . 25124 1 1132 . 1 1 90 90 ALA CB C 13 17.725 0.3 . 1 . . . A 90 ALA CB . 25124 1 1133 . 1 1 90 90 ALA N N 15 120.040 0.3 . 1 . . . A 90 ALA N . 25124 1 1134 . 1 1 91 91 VAL H H 1 7.877 0.020 . 1 . . . A 91 VAL H . 25124 1 1135 . 1 1 91 91 VAL HA H 1 3.637 0.020 . 1 . . . A 91 VAL HA . 25124 1 1136 . 1 1 91 91 VAL HB H 1 2.053 0.020 . 1 . . . A 91 VAL HB . 25124 1 1137 . 1 1 91 91 VAL HG11 H 1 0.905 0.020 . 2 . . . A 91 VAL HG11 . 25124 1 1138 . 1 1 91 91 VAL HG12 H 1 0.905 0.020 . 2 . . . A 91 VAL HG12 . 25124 1 1139 . 1 1 91 91 VAL HG13 H 1 0.905 0.020 . 2 . . . A 91 VAL HG13 . 25124 1 1140 . 1 1 91 91 VAL HG21 H 1 0.952 0.020 . 2 . . . A 91 VAL HG21 . 25124 1 1141 . 1 1 91 91 VAL HG22 H 1 0.952 0.020 . 2 . . . A 91 VAL HG22 . 25124 1 1142 . 1 1 91 91 VAL HG23 H 1 0.952 0.020 . 2 . . . A 91 VAL HG23 . 25124 1 1143 . 1 1 91 91 VAL C C 13 178.632 0.3 . 1 . . . A 91 VAL C . 25124 1 1144 . 1 1 91 91 VAL CA C 13 65.971 0.3 . 1 . . . A 91 VAL CA . 25124 1 1145 . 1 1 91 91 VAL CB C 13 31.623 0.3 . 1 . . . A 91 VAL CB . 25124 1 1146 . 1 1 91 91 VAL CG1 C 13 21.050 0.3 . 1 . . . A 91 VAL CG1 . 25124 1 1147 . 1 1 91 91 VAL CG2 C 13 22.376 0.3 . 1 . . . A 91 VAL CG2 . 25124 1 1148 . 1 1 91 91 VAL N N 15 116.635 0.3 . 1 . . . A 91 VAL N . 25124 1 1149 . 1 1 92 92 SER H H 1 7.912 0.020 . 1 . . . A 92 SER H . 25124 1 1150 . 1 1 92 92 SER HA H 1 4.215 0.020 . 1 . . . A 92 SER HA . 25124 1 1151 . 1 1 92 92 SER HB2 H 1 3.949 0.020 . 2 . . . A 92 SER HB2 . 25124 1 1152 . 1 1 92 92 SER HB3 H 1 3.855 0.020 . 2 . . . A 92 SER HB3 . 25124 1 1153 . 1 1 92 92 SER C C 13 175.961 0.3 . 1 . . . A 92 SER C . 25124 1 1154 . 1 1 92 92 SER CA C 13 61.401 0.3 . 1 . . . A 92 SER CA . 25124 1 1155 . 1 1 92 92 SER CB C 13 62.966 0.3 . 1 . . . A 92 SER CB . 25124 1 1156 . 1 1 92 92 SER N N 15 115.439 0.3 . 1 . . . A 92 SER N . 25124 1 1157 . 1 1 93 93 ALA H H 1 8.199 0.020 . 1 . . . A 93 ALA H . 25124 1 1158 . 1 1 93 93 ALA HA H 1 3.786 0.020 . 1 . . . A 93 ALA HA . 25124 1 1159 . 1 1 93 93 ALA HB1 H 1 1.259 0.020 . 1 . . . A 93 ALA HB1 . 25124 1 1160 . 1 1 93 93 ALA HB2 H 1 1.259 0.020 . 1 . . . A 93 ALA HB2 . 25124 1 1161 . 1 1 93 93 ALA HB3 H 1 1.259 0.020 . 1 . . . A 93 ALA HB3 . 25124 1 1162 . 1 1 93 93 ALA C C 13 179.293 0.3 . 1 . . . A 93 ALA C . 25124 1 1163 . 1 1 93 93 ALA CA C 13 55.172 0.3 . 1 . . . A 93 ALA CA . 25124 1 1164 . 1 1 93 93 ALA CB C 13 17.161 0.3 . 1 . . . A 93 ALA CB . 25124 1 1165 . 1 1 93 93 ALA N N 15 122.647 0.3 . 1 . . . A 93 ALA N . 25124 1 1166 . 1 1 94 94 TYR H H 1 8.065 0.020 . 1 . . . A 94 TYR H . 25124 1 1167 . 1 1 94 94 TYR HA H 1 4.283 0.020 . 1 . . . A 94 TYR HA . 25124 1 1168 . 1 1 94 94 TYR HB2 H 1 3.108 0.020 . 2 . . . A 94 TYR HB2 . 25124 1 1169 . 1 1 94 94 TYR HB3 H 1 2.969 0.020 . 2 . . . A 94 TYR HB3 . 25124 1 1170 . 1 1 94 94 TYR HD1 H 1 7.026 0.020 . 1 . . . A 94 TYR HD1 . 25124 1 1171 . 1 1 94 94 TYR HD2 H 1 7.026 0.020 . 1 . . . A 94 TYR HD2 . 25124 1 1172 . 1 1 94 94 TYR HE1 H 1 6.673 0.020 . 1 . . . A 94 TYR HE1 . 25124 1 1173 . 1 1 94 94 TYR HE2 H 1 6.673 0.020 . 1 . . . A 94 TYR HE2 . 25124 1 1174 . 1 1 94 94 TYR C C 13 179.954 0.3 . 1 . . . A 94 TYR C . 25124 1 1175 . 1 1 94 94 TYR CA C 13 61.216 0.3 . 1 . . . A 94 TYR CA . 25124 1 1176 . 1 1 94 94 TYR CB C 13 37.716 0.3 . 1 . . . A 94 TYR CB . 25124 1 1177 . 1 1 94 94 TYR CD1 C 13 133.055 0.3 . 1 . . . A 94 TYR CD1 . 25124 1 1178 . 1 1 94 94 TYR CD2 C 13 133.055 0.3 . 1 . . . A 94 TYR CD2 . 25124 1 1179 . 1 1 94 94 TYR CE1 C 13 117.945 0.3 . 1 . . . A 94 TYR CE1 . 25124 1 1180 . 1 1 94 94 TYR CE2 C 13 117.945 0.3 . 1 . . . A 94 TYR CE2 . 25124 1 1181 . 1 1 94 94 TYR N N 15 117.796 0.3 . 1 . . . A 94 TYR N . 25124 1 1182 . 1 1 95 95 GLN H H 1 8.513 0.020 . 1 . . . A 95 GLN H . 25124 1 1183 . 1 1 95 95 GLN HA H 1 4.005 0.020 . 1 . . . A 95 GLN HA . 25124 1 1184 . 1 1 95 95 GLN HB2 H 1 2.278 0.020 . 2 . . . A 95 GLN HB2 . 25124 1 1185 . 1 1 95 95 GLN HB3 H 1 2.135 0.020 . 2 . . . A 95 GLN HB3 . 25124 1 1186 . 1 1 95 95 GLN HG2 H 1 2.611 0.020 . 1 . . . A 95 GLN HG2 . 25124 1 1187 . 1 1 95 95 GLN HG3 H 1 2.611 0.020 . 1 . . . A 95 GLN HG3 . 25124 1 1188 . 1 1 95 95 GLN HE21 H 1 6.776 0.020 . 1 . . . A 95 GLN HE21 . 25124 1 1189 . 1 1 95 95 GLN HE22 H 1 7.408 0.020 . 1 . . . A 95 GLN HE22 . 25124 1 1190 . 1 1 95 95 GLN C C 13 177.680 0.3 . 1 . . . A 95 GLN C . 25124 1 1191 . 1 1 95 95 GLN CA C 13 58.471 0.3 . 1 . . . A 95 GLN CA . 25124 1 1192 . 1 1 95 95 GLN CB C 13 28.334 0.3 . 1 . . . A 95 GLN CB . 25124 1 1193 . 1 1 95 95 GLN CG C 13 34.175 0.3 . 1 . . . A 95 GLN CG . 25124 1 1194 . 1 1 95 95 GLN N N 15 120.057 0.3 . 1 . . . A 95 GLN N . 25124 1 1195 . 1 1 95 95 GLN NE2 N 15 110.973 0.3 . 1 . . . A 95 GLN NE2 . 25124 1 1196 . 1 1 96 96 GLN H H 1 7.774 0.020 . 1 . . . A 96 GLN H . 25124 1 1197 . 1 1 96 96 GLN HA H 1 4.321 0.020 . 1 . . . A 96 GLN HA . 25124 1 1198 . 1 1 96 96 GLN HB2 H 1 2.362 0.020 . 2 . . . A 96 GLN HB2 . 25124 1 1199 . 1 1 96 96 GLN HB3 H 1 1.909 0.020 . 2 . . . A 96 GLN HB3 . 25124 1 1200 . 1 1 96 96 GLN HG2 H 1 2.444 0.020 . 1 . . . A 96 GLN HG2 . 25124 1 1201 . 1 1 96 96 GLN HG3 H 1 2.444 0.020 . 1 . . . A 96 GLN HG3 . 25124 1 1202 . 1 1 96 96 GLN HE21 H 1 6.778 0.020 . 1 . . . A 96 GLN HE21 . 25124 1 1203 . 1 1 96 96 GLN HE22 H 1 7.303 0.020 . 1 . . . A 96 GLN HE22 . 25124 1 1204 . 1 1 96 96 GLN C C 13 175.538 0.3 . 1 . . . A 96 GLN C . 25124 1 1205 . 1 1 96 96 GLN CA C 13 55.379 0.3 . 1 . . . A 96 GLN CA . 25124 1 1206 . 1 1 96 96 GLN CB C 13 28.915 0.3 . 1 . . . A 96 GLN CB . 25124 1 1207 . 1 1 96 96 GLN CG C 13 34.350 0.3 . 1 . . . A 96 GLN CG . 25124 1 1208 . 1 1 96 96 GLN CD C 13 178.870 0.3 . 1 . . . A 96 GLN CD . 25124 1 1209 . 1 1 96 96 GLN N N 15 115.323 0.3 . 1 . . . A 96 GLN N . 25124 1 1210 . 1 1 96 96 GLN NE2 N 15 111.550 0.3 . 1 . . . A 96 GLN NE2 . 25124 1 1211 . 1 1 97 97 GLY H H 1 7.576 0.020 . 1 . . . A 97 GLY H . 25124 1 1212 . 1 1 97 97 GLY HA2 H 1 4.294 0.020 . 2 . . . A 97 GLY HA2 . 25124 1 1213 . 1 1 97 97 GLY HA3 H 1 3.810 0.020 . 2 . . . A 97 GLY HA3 . 25124 1 1214 . 1 1 97 97 GLY C C 13 175.168 0.3 . 1 . . . A 97 GLY C . 25124 1 1215 . 1 1 97 97 GLY CA C 13 45.491 0.3 . 1 . . . A 97 GLY CA . 25124 1 1216 . 1 1 97 97 GLY N N 15 104.173 0.3 . 1 . . . A 97 GLY N . 25124 1 1217 . 1 1 98 98 ALA H H 1 8.358 0.020 . 1 . . . A 98 ALA H . 25124 1 1218 . 1 1 98 98 ALA HA H 1 4.266 0.020 . 1 . . . A 98 ALA HA . 25124 1 1219 . 1 1 98 98 ALA HB1 H 1 1.200 0.020 . 1 . . . A 98 ALA HB1 . 25124 1 1220 . 1 1 98 98 ALA HB2 H 1 1.200 0.020 . 1 . . . A 98 ALA HB2 . 25124 1 1221 . 1 1 98 98 ALA HB3 H 1 1.200 0.020 . 1 . . . A 98 ALA HB3 . 25124 1 1222 . 1 1 98 98 ALA C C 13 176.067 0.3 . 1 . . . A 98 ALA C . 25124 1 1223 . 1 1 98 98 ALA CA C 13 53.008 0.3 . 1 . . . A 98 ALA CA . 25124 1 1224 . 1 1 98 98 ALA CB C 13 18.556 0.3 . 1 . . . A 98 ALA CB . 25124 1 1225 . 1 1 98 98 ALA N N 15 123.484 0.3 . 1 . . . A 98 ALA N . 25124 1 1226 . 1 1 99 99 PHE H H 1 9.477 0.020 . 1 . . . A 99 PHE H . 25124 1 1227 . 1 1 99 99 PHE HA H 1 4.259 0.020 . 1 . . . A 99 PHE HA . 25124 1 1228 . 1 1 99 99 PHE HB2 H 1 3.374 0.020 . 2 . . . A 99 PHE HB2 . 25124 1 1229 . 1 1 99 99 PHE HB3 H 1 2.510 0.020 . 2 . . . A 99 PHE HB3 . 25124 1 1230 . 1 1 99 99 PHE HD1 H 1 7.117 0.020 . 1 . . . A 99 PHE HD1 . 25124 1 1231 . 1 1 99 99 PHE HD2 H 1 7.117 0.020 . 1 . . . A 99 PHE HD2 . 25124 1 1232 . 1 1 99 99 PHE HE1 H 1 6.932 0.020 . 1 . . . A 99 PHE HE1 . 25124 1 1233 . 1 1 99 99 PHE HE2 H 1 6.932 0.020 . 1 . . . A 99 PHE HE2 . 25124 1 1234 . 1 1 99 99 PHE HZ H 1 6.982 0.020 . 1 . . . A 99 PHE HZ . 25124 1 1235 . 1 1 99 99 PHE C C 13 175.432 0.3 . 1 . . . A 99 PHE C . 25124 1 1236 . 1 1 99 99 PHE CA C 13 60.274 0.3 . 1 . . . A 99 PHE CA . 25124 1 1237 . 1 1 99 99 PHE CB C 13 40.375 0.3 . 1 . . . A 99 PHE CB . 25124 1 1238 . 1 1 99 99 PHE CD1 C 13 131.782 0.3 . 1 . . . A 99 PHE CD1 . 25124 1 1239 . 1 1 99 99 PHE CD2 C 13 131.782 0.3 . 1 . . . A 99 PHE CD2 . 25124 1 1240 . 1 1 99 99 PHE CE1 C 13 133.675 0.3 . 1 . . . A 99 PHE CE1 . 25124 1 1241 . 1 1 99 99 PHE CE2 C 13 133.675 0.3 . 1 . . . A 99 PHE CE2 . 25124 1 1242 . 1 1 99 99 PHE CZ C 13 129.722 0.3 . 1 . . . A 99 PHE CZ . 25124 1 1243 . 1 1 99 99 PHE N N 15 123.551 0.3 . 1 . . . A 99 PHE N . 25124 1 1244 . 1 1 100 100 ASP H H 1 7.683 0.020 . 1 . . . A 100 ASP H . 25124 1 1245 . 1 1 100 100 ASP HA H 1 4.547 0.020 . 1 . . . A 100 ASP HA . 25124 1 1246 . 1 1 100 100 ASP HB2 H 1 2.530 0.020 . 2 . . . A 100 ASP HB2 . 25124 1 1247 . 1 1 100 100 ASP HB3 H 1 2.412 0.020 . 2 . . . A 100 ASP HB3 . 25124 1 1248 . 1 1 100 100 ASP C C 13 173.053 0.3 . 1 . . . A 100 ASP C . 25124 1 1249 . 1 1 100 100 ASP CA C 13 52.527 0.3 . 1 . . . A 100 ASP CA . 25124 1 1250 . 1 1 100 100 ASP CB C 13 44.789 0.3 . 1 . . . A 100 ASP CB . 25124 1 1251 . 1 1 100 100 ASP N N 15 110.678 0.3 . 1 . . . A 100 ASP N . 25124 1 1252 . 1 1 101 101 TYR H H 1 9.874 0.020 . 1 . . . A 101 TYR H . 25124 1 1253 . 1 1 101 101 TYR HA H 1 5.425 0.020 . 1 . . . A 101 TYR HA . 25124 1 1254 . 1 1 101 101 TYR HB2 H 1 2.805 0.020 . 2 . . . A 101 TYR HB2 . 25124 1 1255 . 1 1 101 101 TYR HB3 H 1 2.521 0.020 . 2 . . . A 101 TYR HB3 . 25124 1 1256 . 1 1 101 101 TYR HD1 H 1 6.764 0.020 . 1 . . . A 101 TYR HD1 . 25124 1 1257 . 1 1 101 101 TYR HD2 H 1 6.764 0.020 . 1 . . . A 101 TYR HD2 . 25124 1 1258 . 1 1 101 101 TYR HE1 H 1 6.537 0.020 . 1 . . . A 101 TYR HE1 . 25124 1 1259 . 1 1 101 101 TYR HE2 H 1 6.537 0.020 . 1 . . . A 101 TYR HE2 . 25124 1 1260 . 1 1 101 101 TYR C C 13 172.550 0.3 . 1 . . . A 101 TYR C . 25124 1 1261 . 1 1 101 101 TYR CA C 13 55.865 0.3 . 1 . . . A 101 TYR CA . 25124 1 1262 . 1 1 101 101 TYR CB C 13 41.760 0.3 . 1 . . . A 101 TYR CB . 25124 1 1263 . 1 1 101 101 TYR CD1 C 13 132.916 0.3 . 1 . . . A 101 TYR CD1 . 25124 1 1264 . 1 1 101 101 TYR CD2 C 13 132.916 0.3 . 1 . . . A 101 TYR CD2 . 25124 1 1265 . 1 1 101 101 TYR CE1 C 13 117.622 0.3 . 1 . . . A 101 TYR CE1 . 25124 1 1266 . 1 1 101 101 TYR CE2 C 13 117.622 0.3 . 1 . . . A 101 TYR CE2 . 25124 1 1267 . 1 1 101 101 TYR N N 15 122.174 0.3 . 1 . . . A 101 TYR N . 25124 1 1268 . 1 1 102 102 LEU H H 1 8.974 0.020 . 1 . . . A 102 LEU H . 25124 1 1269 . 1 1 102 102 LEU HA H 1 4.677 0.020 . 1 . . . A 102 LEU HA . 25124 1 1270 . 1 1 102 102 LEU HB2 H 1 1.434 0.020 . 2 . . . A 102 LEU HB2 . 25124 1 1271 . 1 1 102 102 LEU HB3 H 1 0.772 0.020 . 2 . . . A 102 LEU HB3 . 25124 1 1272 . 1 1 102 102 LEU HG H 1 1.202 0.020 . 1 . . . A 102 LEU HG . 25124 1 1273 . 1 1 102 102 LEU HD11 H 1 0.547 0.020 . 2 . . . A 102 LEU HD11 . 25124 1 1274 . 1 1 102 102 LEU HD12 H 1 0.547 0.020 . 2 . . . A 102 LEU HD12 . 25124 1 1275 . 1 1 102 102 LEU HD13 H 1 0.547 0.020 . 2 . . . A 102 LEU HD13 . 25124 1 1276 . 1 1 102 102 LEU HD21 H 1 0.127 0.020 . 2 . . . A 102 LEU HD21 . 25124 1 1277 . 1 1 102 102 LEU HD22 H 1 0.127 0.020 . 2 . . . A 102 LEU HD22 . 25124 1 1278 . 1 1 102 102 LEU HD23 H 1 0.127 0.020 . 2 . . . A 102 LEU HD23 . 25124 1 1279 . 1 1 102 102 LEU CA C 13 50.418 0.3 . 1 . . . A 102 LEU CA . 25124 1 1280 . 1 1 102 102 LEU CB C 13 45.066 0.3 . 1 . . . A 102 LEU CB . 25124 1 1281 . 1 1 102 102 LEU CG C 13 26.142 0.3 . 1 . . . A 102 LEU CG . 25124 1 1282 . 1 1 102 102 LEU CD1 C 13 23.035 0.3 . 1 . . . A 102 LEU CD1 . 25124 1 1283 . 1 1 102 102 LEU CD2 C 13 24.916 0.3 . 1 . . . A 102 LEU CD2 . 25124 1 1284 . 1 1 102 102 LEU N N 15 129.337 0.3 . 1 . . . A 102 LEU N . 25124 1 1285 . 1 1 103 103 PRO HA H 1 4.552 0.020 . 1 . . . A 103 PRO HA . 25124 1 1286 . 1 1 103 103 PRO HB2 H 1 1.846 0.020 . 2 . . . A 103 PRO HB2 . 25124 1 1287 . 1 1 103 103 PRO HB3 H 1 2.258 0.020 . 2 . . . A 103 PRO HB3 . 25124 1 1288 . 1 1 103 103 PRO HG2 H 1 2.153 0.020 . 2 . . . A 103 PRO HG2 . 25124 1 1289 . 1 1 103 103 PRO HG3 H 1 1.866 0.020 . 2 . . . A 103 PRO HG3 . 25124 1 1290 . 1 1 103 103 PRO HD2 H 1 3.681 0.020 . 2 . . . A 103 PRO HD2 . 25124 1 1291 . 1 1 103 103 PRO HD3 H 1 3.466 0.020 . 2 . . . A 103 PRO HD3 . 25124 1 1292 . 1 1 103 103 PRO C C 13 176.067 0.3 . 1 . . . A 103 PRO C . 25124 1 1293 . 1 1 103 103 PRO CA C 13 61.951 0.3 . 1 . . . A 103 PRO CA . 25124 1 1294 . 1 1 103 103 PRO CB C 13 31.829 0.3 . 1 . . . A 103 PRO CB . 25124 1 1295 . 1 1 103 103 PRO CG C 13 27.288 0.3 . 1 . . . A 103 PRO CG . 25124 1 1296 . 1 1 103 103 PRO CD C 13 50.400 0.3 . 1 . . . A 103 PRO CD . 25124 1 1297 . 1 1 104 104 LYS H H 1 8.013 0.020 . 1 . . . A 104 LYS H . 25124 1 1298 . 1 1 104 104 LYS HA H 1 4.459 0.020 . 1 . . . A 104 LYS HA . 25124 1 1299 . 1 1 104 104 LYS HB2 H 1 1.769 0.020 . 2 . . . A 104 LYS HB2 . 25124 1 1300 . 1 1 104 104 LYS HB3 H 1 1.282 0.020 . 2 . . . A 104 LYS HB3 . 25124 1 1301 . 1 1 104 104 LYS HG2 H 1 1.424 0.020 . 2 . . . A 104 LYS HG2 . 25124 1 1302 . 1 1 104 104 LYS HG3 H 1 1.345 0.020 . 2 . . . A 104 LYS HG3 . 25124 1 1303 . 1 1 104 104 LYS HD2 H 1 1.824 0.020 . 2 . . . A 104 LYS HD2 . 25124 1 1304 . 1 1 104 104 LYS HD3 H 1 1.581 0.020 . 2 . . . A 104 LYS HD3 . 25124 1 1305 . 1 1 104 104 LYS HE2 H 1 2.839 0.020 . 2 . . . A 104 LYS HE2 . 25124 1 1306 . 1 1 104 104 LYS HE3 H 1 2.671 0.020 . 2 . . . A 104 LYS HE3 . 25124 1 1307 . 1 1 104 104 LYS CA C 13 53.204 0.3 . 1 . . . A 104 LYS CA . 25124 1 1308 . 1 1 104 104 LYS CB C 13 34.500 0.3 . 1 . . . A 104 LYS CB . 25124 1 1309 . 1 1 104 104 LYS CG C 13 25.630 0.3 . 1 . . . A 104 LYS CG . 25124 1 1310 . 1 1 104 104 LYS CD C 13 31.217 0.3 . 1 . . . A 104 LYS CD . 25124 1 1311 . 1 1 104 104 LYS CE C 13 41.502 0.3 . 1 . . . A 104 LYS CE . 25124 1 1312 . 1 1 104 104 LYS N N 15 118.403 0.3 . 1 . . . A 104 LYS N . 25124 1 1313 . 1 1 105 105 PRO HA H 1 4.258 0.020 . 1 . . . A 105 PRO HA . 25124 1 1314 . 1 1 105 105 PRO HB2 H 1 2.198 0.020 . 1 . . . A 105 PRO HB2 . 25124 1 1315 . 1 1 105 105 PRO HB3 H 1 2.198 0.020 . 1 . . . A 105 PRO HB3 . 25124 1 1316 . 1 1 105 105 PRO HG2 H 1 1.890 0.020 . 1 . . . A 105 PRO HG2 . 25124 1 1317 . 1 1 105 105 PRO HG3 H 1 1.890 0.020 . 1 . . . A 105 PRO HG3 . 25124 1 1318 . 1 1 105 105 PRO HD2 H 1 3.625 0.020 . 2 . . . A 105 PRO HD2 . 25124 1 1319 . 1 1 105 105 PRO HD3 H 1 3.445 0.020 . 2 . . . A 105 PRO HD3 . 25124 1 1320 . 1 1 105 105 PRO C C 13 174.930 0.3 . 1 . . . A 105 PRO C . 25124 1 1321 . 1 1 105 105 PRO CA C 13 62.213 0.3 . 1 . . . A 105 PRO CA . 25124 1 1322 . 1 1 105 105 PRO CB C 13 34.151 0.3 . 1 . . . A 105 PRO CB . 25124 1 1323 . 1 1 105 105 PRO CG C 13 24.807 0.3 . 1 . . . A 105 PRO CG . 25124 1 1324 . 1 1 105 105 PRO CD C 13 50.240 0.3 . 1 . . . A 105 PRO CD . 25124 1 1325 . 1 1 106 106 PHE H H 1 7.399 0.020 . 1 . . . A 106 PHE H . 25124 1 1326 . 1 1 106 106 PHE HA H 1 5.169 0.020 . 1 . . . A 106 PHE HA . 25124 1 1327 . 1 1 106 106 PHE HB2 H 1 3.326 0.020 . 2 . . . A 106 PHE HB2 . 25124 1 1328 . 1 1 106 106 PHE HB3 H 1 3.097 0.020 . 2 . . . A 106 PHE HB3 . 25124 1 1329 . 1 1 106 106 PHE HD1 H 1 6.918 0.020 . 1 . . . A 106 PHE HD1 . 25124 1 1330 . 1 1 106 106 PHE HD2 H 1 6.918 0.020 . 1 . . . A 106 PHE HD2 . 25124 1 1331 . 1 1 106 106 PHE HE1 H 1 7.114 0.020 . 1 . . . A 106 PHE HE1 . 25124 1 1332 . 1 1 106 106 PHE HE2 H 1 7.114 0.020 . 1 . . . A 106 PHE HE2 . 25124 1 1333 . 1 1 106 106 PHE HZ H 1 7.047 0.020 . 1 . . . A 106 PHE HZ . 25124 1 1334 . 1 1 106 106 PHE C C 13 175.194 0.3 . 1 . . . A 106 PHE C . 25124 1 1335 . 1 1 106 106 PHE CA C 13 53.244 0.3 . 1 . . . A 106 PHE CA . 25124 1 1336 . 1 1 106 106 PHE CB C 13 40.477 0.3 . 1 . . . A 106 PHE CB . 25124 1 1337 . 1 1 106 106 PHE CD1 C 13 133.609 0.3 . 1 . . . A 106 PHE CD1 . 25124 1 1338 . 1 1 106 106 PHE CD2 C 13 133.609 0.3 . 1 . . . A 106 PHE CD2 . 25124 1 1339 . 1 1 106 106 PHE CE1 C 13 130.470 0.3 . 1 . . . A 106 PHE CE1 . 25124 1 1340 . 1 1 106 106 PHE CE2 C 13 130.470 0.3 . 1 . . . A 106 PHE CE2 . 25124 1 1341 . 1 1 106 106 PHE CZ C 13 128.581 0.3 . 1 . . . A 106 PHE CZ . 25124 1 1342 . 1 1 106 106 PHE N N 15 116.796 0.3 . 1 . . . A 106 PHE N . 25124 1 1343 . 1 1 107 107 ASP H H 1 9.047 0.020 . 1 . . . A 107 ASP H . 25124 1 1344 . 1 1 107 107 ASP HA H 1 4.823 0.020 . 1 . . . A 107 ASP HA . 25124 1 1345 . 1 1 107 107 ASP HB2 H 1 2.807 0.020 . 2 . . . A 107 ASP HB2 . 25124 1 1346 . 1 1 107 107 ASP HB3 H 1 2.667 0.020 . 2 . . . A 107 ASP HB3 . 25124 1 1347 . 1 1 107 107 ASP C C 13 177.812 0.3 . 1 . . . A 107 ASP C . 25124 1 1348 . 1 1 107 107 ASP CA C 13 53.392 0.3 . 1 . . . A 107 ASP CA . 25124 1 1349 . 1 1 107 107 ASP CB C 13 42.455 0.3 . 1 . . . A 107 ASP CB . 25124 1 1350 . 1 1 107 107 ASP N N 15 122.212 0.3 . 1 . . . A 107 ASP N . 25124 1 1351 . 1 1 108 108 ILE H H 1 8.898 0.020 . 1 . . . A 108 ILE H . 25124 1 1352 . 1 1 108 108 ILE HA H 1 3.949 0.020 . 1 . . . A 108 ILE HA . 25124 1 1353 . 1 1 108 108 ILE HB H 1 1.963 0.020 . 1 . . . A 108 ILE HB . 25124 1 1354 . 1 1 108 108 ILE HG12 H 1 1.476 0.020 . 2 . . . A 108 ILE HG12 . 25124 1 1355 . 1 1 108 108 ILE HG13 H 1 1.405 0.020 . 2 . . . A 108 ILE HG13 . 25124 1 1356 . 1 1 108 108 ILE HG21 H 1 0.954 0.020 . 1 . . . A 108 ILE HG21 . 25124 1 1357 . 1 1 108 108 ILE HG22 H 1 0.954 0.020 . 1 . . . A 108 ILE HG22 . 25124 1 1358 . 1 1 108 108 ILE HG23 H 1 0.954 0.020 . 1 . . . A 108 ILE HG23 . 25124 1 1359 . 1 1 108 108 ILE HD11 H 1 0.925 0.020 . 1 . . . A 108 ILE HD11 . 25124 1 1360 . 1 1 108 108 ILE HD12 H 1 0.925 0.020 . 1 . . . A 108 ILE HD12 . 25124 1 1361 . 1 1 108 108 ILE HD13 H 1 0.925 0.020 . 1 . . . A 108 ILE HD13 . 25124 1 1362 . 1 1 108 108 ILE C C 13 176.226 0.3 . 1 . . . A 108 ILE C . 25124 1 1363 . 1 1 108 108 ILE CA C 13 63.105 0.3 . 1 . . . A 108 ILE CA . 25124 1 1364 . 1 1 108 108 ILE CB C 13 37.665 0.3 . 1 . . . A 108 ILE CB . 25124 1 1365 . 1 1 108 108 ILE CG1 C 13 28.655 0.3 . 1 . . . A 108 ILE CG1 . 25124 1 1366 . 1 1 108 108 ILE CG2 C 13 18.785 0.3 . 1 . . . A 108 ILE CG2 . 25124 1 1367 . 1 1 108 108 ILE CD1 C 13 13.628 0.3 . 1 . . . A 108 ILE CD1 . 25124 1 1368 . 1 1 108 108 ILE N N 15 127.963 0.3 . 1 . . . A 108 ILE N . 25124 1 1369 . 1 1 109 109 ASP H H 1 8.098 0.020 . 1 . . . A 109 ASP H . 25124 1 1370 . 1 1 109 109 ASP HA H 1 4.393 0.020 . 1 . . . A 109 ASP HA . 25124 1 1371 . 1 1 109 109 ASP HB2 H 1 2.746 0.020 . 2 . . . A 109 ASP HB2 . 25124 1 1372 . 1 1 109 109 ASP HB3 H 1 2.600 0.020 . 2 . . . A 109 ASP HB3 . 25124 1 1373 . 1 1 109 109 ASP C C 13 179.848 0.3 . 1 . . . A 109 ASP C . 25124 1 1374 . 1 1 109 109 ASP CA C 13 57.483 0.3 . 1 . . . A 109 ASP CA . 25124 1 1375 . 1 1 109 109 ASP CB C 13 39.986 0.3 . 1 . . . A 109 ASP CB . 25124 1 1376 . 1 1 109 109 ASP N N 15 119.804 0.3 . 1 . . . A 109 ASP N . 25124 1 1377 . 1 1 110 110 GLU H H 1 8.059 0.020 . 1 . . . A 110 GLU H . 25124 1 1378 . 1 1 110 110 GLU HA H 1 4.085 0.020 . 1 . . . A 110 GLU HA . 25124 1 1379 . 1 1 110 110 GLU HB2 H 1 2.221 0.020 . 2 . . . A 110 GLU HB2 . 25124 1 1380 . 1 1 110 110 GLU HB3 H 1 2.151 0.020 . 2 . . . A 110 GLU HB3 . 25124 1 1381 . 1 1 110 110 GLU HG2 H 1 2.384 0.020 . 2 . . . A 110 GLU HG2 . 25124 1 1382 . 1 1 110 110 GLU HG3 H 1 2.246 0.020 . 2 . . . A 110 GLU HG3 . 25124 1 1383 . 1 1 110 110 GLU C C 13 178.976 0.3 . 1 . . . A 110 GLU C . 25124 1 1384 . 1 1 110 110 GLU CA C 13 58.790 0.3 . 1 . . . A 110 GLU CA . 25124 1 1385 . 1 1 110 110 GLU CB C 13 29.330 0.3 . 1 . . . A 110 GLU CB . 25124 1 1386 . 1 1 110 110 GLU CG C 13 36.270 0.3 . 1 . . . A 110 GLU CG . 25124 1 1387 . 1 1 110 110 GLU N N 15 121.667 0.3 . 1 . . . A 110 GLU N . 25124 1 1388 . 1 1 111 111 ALA H H 1 7.903 0.020 . 1 . . . A 111 ALA H . 25124 1 1389 . 1 1 111 111 ALA HA H 1 3.758 0.020 . 1 . . . A 111 ALA HA . 25124 1 1390 . 1 1 111 111 ALA HB1 H 1 0.963 0.020 . 1 . . . A 111 ALA HB1 . 25124 1 1391 . 1 1 111 111 ALA HB2 H 1 0.963 0.020 . 1 . . . A 111 ALA HB2 . 25124 1 1392 . 1 1 111 111 ALA HB3 H 1 0.963 0.020 . 1 . . . A 111 ALA HB3 . 25124 1 1393 . 1 1 111 111 ALA C C 13 178.605 0.3 . 1 . . . A 111 ALA C . 25124 1 1394 . 1 1 111 111 ALA CA C 13 55.320 0.3 . 1 . . . A 111 ALA CA . 25124 1 1395 . 1 1 111 111 ALA CB C 13 18.174 0.3 . 1 . . . A 111 ALA CB . 25124 1 1396 . 1 1 111 111 ALA N N 15 122.208 0.3 . 1 . . . A 111 ALA N . 25124 1 1397 . 1 1 112 112 VAL H H 1 8.032 0.020 . 1 . . . A 112 VAL H . 25124 1 1398 . 1 1 112 112 VAL HA H 1 3.194 0.020 . 1 . . . A 112 VAL HA . 25124 1 1399 . 1 1 112 112 VAL HB H 1 2.061 0.020 . 1 . . . A 112 VAL HB . 25124 1 1400 . 1 1 112 112 VAL HG11 H 1 0.797 0.020 . 2 . . . A 112 VAL HG11 . 25124 1 1401 . 1 1 112 112 VAL HG12 H 1 0.797 0.020 . 2 . . . A 112 VAL HG12 . 25124 1 1402 . 1 1 112 112 VAL HG13 H 1 0.797 0.020 . 2 . . . A 112 VAL HG13 . 25124 1 1403 . 1 1 112 112 VAL HG21 H 1 0.904 0.020 . 2 . . . A 112 VAL HG21 . 25124 1 1404 . 1 1 112 112 VAL HG22 H 1 0.904 0.020 . 2 . . . A 112 VAL HG22 . 25124 1 1405 . 1 1 112 112 VAL HG23 H 1 0.904 0.020 . 2 . . . A 112 VAL HG23 . 25124 1 1406 . 1 1 112 112 VAL C C 13 177.230 0.3 . 1 . . . A 112 VAL C . 25124 1 1407 . 1 1 112 112 VAL CA C 13 67.154 0.3 . 1 . . . A 112 VAL CA . 25124 1 1408 . 1 1 112 112 VAL CB C 13 31.538 0.3 . 1 . . . A 112 VAL CB . 25124 1 1409 . 1 1 112 112 VAL CG1 C 13 21.338 0.3 . 1 . . . A 112 VAL CG1 . 25124 1 1410 . 1 1 112 112 VAL CG2 C 13 22.912 0.3 . 1 . . . A 112 VAL CG2 . 25124 1 1411 . 1 1 112 112 VAL N N 15 116.429 0.3 . 1 . . . A 112 VAL N . 25124 1 1412 . 1 1 113 113 ALA H H 1 7.723 0.020 . 1 . . . A 113 ALA H . 25124 1 1413 . 1 1 113 113 ALA HA H 1 4.159 0.020 . 1 . . . A 113 ALA HA . 25124 1 1414 . 1 1 113 113 ALA HB1 H 1 1.461 0.020 . 1 . . . A 113 ALA HB1 . 25124 1 1415 . 1 1 113 113 ALA HB2 H 1 1.461 0.020 . 1 . . . A 113 ALA HB2 . 25124 1 1416 . 1 1 113 113 ALA HB3 H 1 1.461 0.020 . 1 . . . A 113 ALA HB3 . 25124 1 1417 . 1 1 113 113 ALA C C 13 180.589 0.3 . 1 . . . A 113 ALA C . 25124 1 1418 . 1 1 113 113 ALA CA C 13 54.902 0.3 . 1 . . . A 113 ALA CA . 25124 1 1419 . 1 1 113 113 ALA CB C 13 17.980 0.3 . 1 . . . A 113 ALA CB . 25124 1 1420 . 1 1 113 113 ALA N N 15 120.198 0.3 . 1 . . . A 113 ALA N . 25124 1 1421 . 1 1 114 114 LEU H H 1 7.928 0.020 . 1 . . . A 114 LEU H . 25124 1 1422 . 1 1 114 114 LEU HA H 1 4.102 0.020 . 1 . . . A 114 LEU HA . 25124 1 1423 . 1 1 114 114 LEU HB2 H 1 1.774 0.020 . 1 . . . A 114 LEU HB2 . 25124 1 1424 . 1 1 114 114 LEU HB3 H 1 1.774 0.020 . 1 . . . A 114 LEU HB3 . 25124 1 1425 . 1 1 114 114 LEU HG H 1 1.280 0.020 . 1 . . . A 114 LEU HG . 25124 1 1426 . 1 1 114 114 LEU HD11 H 1 0.982 0.020 . 2 . . . A 114 LEU HD11 . 25124 1 1427 . 1 1 114 114 LEU HD12 H 1 0.982 0.020 . 2 . . . A 114 LEU HD12 . 25124 1 1428 . 1 1 114 114 LEU HD13 H 1 0.982 0.020 . 2 . . . A 114 LEU HD13 . 25124 1 1429 . 1 1 114 114 LEU HD21 H 1 0.878 0.020 . 2 . . . A 114 LEU HD21 . 25124 1 1430 . 1 1 114 114 LEU HD22 H 1 0.878 0.020 . 2 . . . A 114 LEU HD22 . 25124 1 1431 . 1 1 114 114 LEU HD23 H 1 0.878 0.020 . 2 . . . A 114 LEU HD23 . 25124 1 1432 . 1 1 114 114 LEU C C 13 178.605 0.3 . 1 . . . A 114 LEU C . 25124 1 1433 . 1 1 114 114 LEU CA C 13 58.181 0.3 . 1 . . . A 114 LEU CA . 25124 1 1434 . 1 1 114 114 LEU CB C 13 42.032 0.3 . 1 . . . A 114 LEU CB . 25124 1 1435 . 1 1 114 114 LEU CG C 13 27.132 0.3 . 1 . . . A 114 LEU CG . 25124 1 1436 . 1 1 114 114 LEU CD1 C 13 24.719 0.3 . 1 . . . A 114 LEU CD1 . 25124 1 1437 . 1 1 114 114 LEU CD2 C 13 26.095 0.3 . 1 . . . A 114 LEU CD2 . 25124 1 1438 . 1 1 114 114 LEU N N 15 120.742 0.3 . 1 . . . A 114 LEU N . 25124 1 1439 . 1 1 115 115 VAL H H 1 7.846 0.020 . 1 . . . A 115 VAL H . 25124 1 1440 . 1 1 115 115 VAL HA H 1 3.250 0.020 . 1 . . . A 115 VAL HA . 25124 1 1441 . 1 1 115 115 VAL HB H 1 2.176 0.020 . 1 . . . A 115 VAL HB . 25124 1 1442 . 1 1 115 115 VAL HG11 H 1 0.748 0.020 . 2 . . . A 115 VAL HG11 . 25124 1 1443 . 1 1 115 115 VAL HG12 H 1 0.748 0.020 . 2 . . . A 115 VAL HG12 . 25124 1 1444 . 1 1 115 115 VAL HG13 H 1 0.748 0.020 . 2 . . . A 115 VAL HG13 . 25124 1 1445 . 1 1 115 115 VAL HG21 H 1 0.884 0.020 . 2 . . . A 115 VAL HG21 . 25124 1 1446 . 1 1 115 115 VAL HG22 H 1 0.884 0.020 . 2 . . . A 115 VAL HG22 . 25124 1 1447 . 1 1 115 115 VAL HG23 H 1 0.884 0.020 . 2 . . . A 115 VAL HG23 . 25124 1 1448 . 1 1 115 115 VAL C C 13 177.548 0.3 . 1 . . . A 115 VAL C . 25124 1 1449 . 1 1 115 115 VAL CA C 13 67.168 0.3 . 1 . . . A 115 VAL CA . 25124 1 1450 . 1 1 115 115 VAL CB C 13 30.760 0.3 . 1 . . . A 115 VAL CB . 25124 1 1451 . 1 1 115 115 VAL CG1 C 13 22.845 0.3 . 1 . . . A 115 VAL CG1 . 25124 1 1452 . 1 1 115 115 VAL CG2 C 13 23.923 0.3 . 1 . . . A 115 VAL CG2 . 25124 1 1453 . 1 1 115 115 VAL N N 15 119.478 0.3 . 1 . . . A 115 VAL N . 25124 1 1454 . 1 1 116 116 GLU H H 1 8.462 0.020 . 1 . . . A 116 GLU H . 25124 1 1455 . 1 1 116 116 GLU HA H 1 3.809 0.020 . 1 . . . A 116 GLU HA . 25124 1 1456 . 1 1 116 116 GLU HB2 H 1 2.148 0.020 . 2 . . . A 116 GLU HB2 . 25124 1 1457 . 1 1 116 116 GLU HB3 H 1 1.984 0.020 . 2 . . . A 116 GLU HB3 . 25124 1 1458 . 1 1 116 116 GLU HG2 H 1 2.475 0.020 . 2 . . . A 116 GLU HG2 . 25124 1 1459 . 1 1 116 116 GLU HG3 H 1 2.060 0.020 . 2 . . . A 116 GLU HG3 . 25124 1 1460 . 1 1 116 116 GLU C C 13 179.557 0.3 . 1 . . . A 116 GLU C . 25124 1 1461 . 1 1 116 116 GLU CA C 13 59.974 0.3 . 1 . . . A 116 GLU CA . 25124 1 1462 . 1 1 116 116 GLU CB C 13 29.084 0.3 . 1 . . . A 116 GLU CB . 25124 1 1463 . 1 1 116 116 GLU CG C 13 36.450 0.3 . 1 . . . A 116 GLU CG . 25124 1 1464 . 1 1 116 116 GLU N N 15 117.570 0.3 . 1 . . . A 116 GLU N . 25124 1 1465 . 1 1 117 117 ARG H H 1 8.090 0.020 . 1 . . . A 117 ARG H . 25124 1 1466 . 1 1 117 117 ARG HA H 1 4.109 0.020 . 1 . . . A 117 ARG HA . 25124 1 1467 . 1 1 117 117 ARG HB2 H 1 2.134 0.020 . 1 . . . A 117 ARG HB2 . 25124 1 1468 . 1 1 117 117 ARG HB3 H 1 2.134 0.020 . 1 . . . A 117 ARG HB3 . 25124 1 1469 . 1 1 117 117 ARG HG2 H 1 1.924 0.020 . 2 . . . A 117 ARG HG2 . 25124 1 1470 . 1 1 117 117 ARG HG3 H 1 1.709 0.020 . 2 . . . A 117 ARG HG3 . 25124 1 1471 . 1 1 117 117 ARG HD2 H 1 3.297 0.020 . 1 . . . A 117 ARG HD2 . 25124 1 1472 . 1 1 117 117 ARG HD3 H 1 3.297 0.020 . 1 . . . A 117 ARG HD3 . 25124 1 1473 . 1 1 117 117 ARG C C 13 178.500 0.3 . 1 . . . A 117 ARG C . 25124 1 1474 . 1 1 117 117 ARG CA C 13 59.411 0.3 . 1 . . . A 117 ARG CA . 25124 1 1475 . 1 1 117 117 ARG CB C 13 30.414 0.3 . 1 . . . A 117 ARG CB . 25124 1 1476 . 1 1 117 117 ARG CG C 13 28.244 0.3 . 1 . . . A 117 ARG CG . 25124 1 1477 . 1 1 117 117 ARG CD C 13 44.024 0.3 . 1 . . . A 117 ARG CD . 25124 1 1478 . 1 1 117 117 ARG N N 15 120.263 0.3 . 1 . . . A 117 ARG N . 25124 1 1479 . 1 1 118 118 ALA H H 1 8.005 0.020 . 1 . . . A 118 ALA H . 25124 1 1480 . 1 1 118 118 ALA HA H 1 3.467 0.020 . 1 . . . A 118 ALA HA . 25124 1 1481 . 1 1 118 118 ALA HB1 H 1 0.940 0.020 . 1 . . . A 118 ALA HB1 . 25124 1 1482 . 1 1 118 118 ALA HB2 H 1 0.940 0.020 . 1 . . . A 118 ALA HB2 . 25124 1 1483 . 1 1 118 118 ALA HB3 H 1 0.940 0.020 . 1 . . . A 118 ALA HB3 . 25124 1 1484 . 1 1 118 118 ALA C C 13 178.632 0.3 . 1 . . . A 118 ALA C . 25124 1 1485 . 1 1 118 118 ALA CA C 13 54.739 0.3 . 1 . . . A 118 ALA CA . 25124 1 1486 . 1 1 118 118 ALA CB C 13 18.280 0.3 . 1 . . . A 118 ALA CB . 25124 1 1487 . 1 1 118 118 ALA N N 15 122.157 0.3 . 1 . . . A 118 ALA N . 25124 1 1488 . 1 1 119 119 ILE H H 1 7.788 0.020 . 1 . . . A 119 ILE H . 25124 1 1489 . 1 1 119 119 ILE HA H 1 3.706 0.020 . 1 . . . A 119 ILE HA . 25124 1 1490 . 1 1 119 119 ILE HB H 1 1.848 0.020 . 1 . . . A 119 ILE HB . 25124 1 1491 . 1 1 119 119 ILE HG12 H 1 1.598 0.020 . 2 . . . A 119 ILE HG12 . 25124 1 1492 . 1 1 119 119 ILE HG13 H 1 0.905 0.020 . 2 . . . A 119 ILE HG13 . 25124 1 1493 . 1 1 119 119 ILE HG21 H 1 0.792 0.020 . 1 . . . A 119 ILE HG21 . 25124 1 1494 . 1 1 119 119 ILE HG22 H 1 0.792 0.020 . 1 . . . A 119 ILE HG22 . 25124 1 1495 . 1 1 119 119 ILE HG23 H 1 0.792 0.020 . 1 . . . A 119 ILE HG23 . 25124 1 1496 . 1 1 119 119 ILE HD11 H 1 0.632 0.020 . 1 . . . A 119 ILE HD11 . 25124 1 1497 . 1 1 119 119 ILE HD12 H 1 0.632 0.020 . 1 . . . A 119 ILE HD12 . 25124 1 1498 . 1 1 119 119 ILE HD13 H 1 0.632 0.020 . 1 . . . A 119 ILE HD13 . 25124 1 1499 . 1 1 119 119 ILE C C 13 177.442 0.3 . 1 . . . A 119 ILE C . 25124 1 1500 . 1 1 119 119 ILE CA C 13 63.910 0.3 . 1 . . . A 119 ILE CA . 25124 1 1501 . 1 1 119 119 ILE CB C 13 37.939 0.3 . 1 . . . A 119 ILE CB . 25124 1 1502 . 1 1 119 119 ILE CG1 C 13 28.939 0.3 . 1 . . . A 119 ILE CG1 . 25124 1 1503 . 1 1 119 119 ILE CG2 C 13 17.223 0.3 . 1 . . . A 119 ILE CG2 . 25124 1 1504 . 1 1 119 119 ILE CD1 C 13 14.054 0.3 . 1 . . . A 119 ILE CD1 . 25124 1 1505 . 1 1 119 119 ILE N N 15 115.429 0.3 . 1 . . . A 119 ILE N . 25124 1 1506 . 1 1 120 120 SER H H 1 7.881 0.020 . 1 . . . A 120 SER H . 25124 1 1507 . 1 1 120 120 SER HA H 1 4.285 0.020 . 1 . . . A 120 SER HA . 25124 1 1508 . 1 1 120 120 SER HB2 H 1 3.941 0.020 . 1 . . . A 120 SER HB2 . 25124 1 1509 . 1 1 120 120 SER HB3 H 1 3.941 0.020 . 1 . . . A 120 SER HB3 . 25124 1 1510 . 1 1 120 120 SER C C 13 175.142 0.3 . 1 . . . A 120 SER C . 25124 1 1511 . 1 1 120 120 SER CA C 13 59.871 0.3 . 1 . . . A 120 SER CA . 25124 1 1512 . 1 1 120 120 SER CB C 13 63.522 0.3 . 1 . . . A 120 SER CB . 25124 1 1513 . 1 1 120 120 SER N N 15 114.902 0.3 . 1 . . . A 120 SER N . 25124 1 1514 . 1 1 121 121 HIS H H 1 7.960 0.020 . 1 . . . A 121 HIS H . 25124 1 1515 . 1 1 121 121 HIS HA H 1 4.439 0.020 . 1 . . . A 121 HIS HA . 25124 1 1516 . 1 1 121 121 HIS HB2 H 1 3.214 0.020 . 2 . . . A 121 HIS HB2 . 25124 1 1517 . 1 1 121 121 HIS HB3 H 1 3.145 0.020 . 2 . . . A 121 HIS HB3 . 25124 1 1518 . 1 1 121 121 HIS HD2 H 1 6.750 0.020 . 1 . . . A 121 HIS HD2 . 25124 1 1519 . 1 1 121 121 HIS HE1 H 1 8.157 0.020 . 1 . . . A 121 HIS HE1 . 25124 1 1520 . 1 1 121 121 HIS C C 13 174.957 0.3 . 1 . . . A 121 HIS C . 25124 1 1521 . 1 1 121 121 HIS CA C 13 57.362 0.3 . 1 . . . A 121 HIS CA . 25124 1 1522 . 1 1 121 121 HIS CB C 13 29.496 0.3 . 1 . . . A 121 HIS CB . 25124 1 1523 . 1 1 121 121 HIS CD2 C 13 120.498 0.3 . 1 . . . A 121 HIS CD2 . 25124 1 1524 . 1 1 121 121 HIS CE1 C 13 137.472 0.3 . 1 . . . A 121 HIS CE1 . 25124 1 1525 . 1 1 121 121 HIS N N 15 119.927 0.3 . 1 . . . A 121 HIS N . 25124 1 1526 . 1 1 122 122 TYR H H 1 7.776 0.020 . 1 . . . A 122 TYR H . 25124 1 1527 . 1 1 122 122 TYR HA H 1 4.455 0.020 . 1 . . . A 122 TYR HA . 25124 1 1528 . 1 1 122 122 TYR HB2 H 1 3.108 0.020 . 2 . . . A 122 TYR HB2 . 25124 1 1529 . 1 1 122 122 TYR HB3 H 1 2.914 0.020 . 2 . . . A 122 TYR HB3 . 25124 1 1530 . 1 1 122 122 TYR HD1 H 1 7.201 0.020 . 1 . . . A 122 TYR HD1 . 25124 1 1531 . 1 1 122 122 TYR HD2 H 1 7.201 0.020 . 1 . . . A 122 TYR HD2 . 25124 1 1532 . 1 1 122 122 TYR HE1 H 1 6.774 0.020 . 1 . . . A 122 TYR HE1 . 25124 1 1533 . 1 1 122 122 TYR HE2 H 1 6.774 0.020 . 1 . . . A 122 TYR HE2 . 25124 1 1534 . 1 1 122 122 TYR C C 13 175.353 0.3 . 1 . . . A 122 TYR C . 25124 1 1535 . 1 1 122 122 TYR CA C 13 58.528 0.3 . 1 . . . A 122 TYR CA . 25124 1 1536 . 1 1 122 122 TYR CB C 13 38.726 0.3 . 1 . . . A 122 TYR CB . 25124 1 1537 . 1 1 122 122 TYR CD1 C 13 133.390 0.3 . 1 . . . A 122 TYR CD1 . 25124 1 1538 . 1 1 122 122 TYR CD2 C 13 133.390 0.3 . 1 . . . A 122 TYR CD2 . 25124 1 1539 . 1 1 122 122 TYR CE1 C 13 118.295 0.3 . 1 . . . A 122 TYR CE1 . 25124 1 1540 . 1 1 122 122 TYR CE2 C 13 118.295 0.3 . 1 . . . A 122 TYR CE2 . 25124 1 1541 . 1 1 122 122 TYR N N 15 118.745 0.3 . 1 . . . A 122 TYR N . 25124 1 1542 . 1 1 123 123 GLN H H 1 7.904 0.020 . 1 . . . A 123 GLN H . 25124 1 1543 . 1 1 123 123 GLN HA H 1 4.294 0.020 . 1 . . . A 123 GLN HA . 25124 1 1544 . 1 1 123 123 GLN HB2 H 1 2.080 0.020 . 2 . . . A 123 GLN HB2 . 25124 1 1545 . 1 1 123 123 GLN HB3 H 1 1.954 0.020 . 2 . . . A 123 GLN HB3 . 25124 1 1546 . 1 1 123 123 GLN HG2 H 1 2.314 0.020 . 1 . . . A 123 GLN HG2 . 25124 1 1547 . 1 1 123 123 GLN HG3 H 1 2.314 0.020 . 1 . . . A 123 GLN HG3 . 25124 1 1548 . 1 1 123 123 GLN HE21 H 1 6.791 0.020 . 1 . . . A 123 GLN HE21 . 25124 1 1549 . 1 1 123 123 GLN HE22 H 1 7.521 0.020 . 1 . . . A 123 GLN HE22 . 25124 1 1550 . 1 1 123 123 GLN C C 13 174.560 0.3 . 1 . . . A 123 GLN C . 25124 1 1551 . 1 1 123 123 GLN CA C 13 55.658 0.3 . 1 . . . A 123 GLN CA . 25124 1 1552 . 1 1 123 123 GLN CB C 13 29.877 0.3 . 1 . . . A 123 GLN CB . 25124 1 1553 . 1 1 123 123 GLN CG C 13 34.030 0.3 . 1 . . . A 123 GLN CG . 25124 1 1554 . 1 1 123 123 GLN N N 15 121.424 0.3 . 1 . . . A 123 GLN N . 25124 1 1555 . 1 1 123 123 GLN NE2 N 15 112.143 0.3 . 1 . . . A 123 GLN NE2 . 25124 1 1556 . 1 1 124 124 GLU H H 1 7.868 0.020 . 1 . . . A 124 GLU H . 25124 1 1557 . 1 1 124 124 GLU HA H 1 4.065 0.020 . 1 . . . A 124 GLU HA . 25124 1 1558 . 1 1 124 124 GLU HB2 H 1 1.883 0.020 . 1 . . . A 124 GLU HB2 . 25124 1 1559 . 1 1 124 124 GLU HB3 H 1 1.883 0.020 . 1 . . . A 124 GLU HB3 . 25124 1 1560 . 1 1 124 124 GLU HG2 H 1 2.216 0.020 . 1 . . . A 124 GLU HG2 . 25124 1 1561 . 1 1 124 124 GLU HG3 H 1 2.216 0.020 . 1 . . . A 124 GLU HG3 . 25124 1 1562 . 1 1 124 124 GLU CA C 13 58.065 0.3 . 1 . . . A 124 GLU CA . 25124 1 1563 . 1 1 124 124 GLU CB C 13 31.056 0.3 . 1 . . . A 124 GLU CB . 25124 1 1564 . 1 1 124 124 GLU CG C 13 36.685 0.3 . 1 . . . A 124 GLU CG . 25124 1 1565 . 1 1 124 124 GLU N N 15 127.422 0.3 . 1 . . . A 124 GLU N . 25124 1 stop_ save_