data_18557 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18557 _Entry.Title ; Solution structure of Ca2+-bound CaBP7 N-terminal doman ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-29 _Entry.Accession_date 2012-06-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hannah McCue . V. . 18557 2 Pryank Patel . . . 18557 3 Andrew Herbert . P. . 18557 4 Lu-Yun Lian . . . 18557 5 Robert Burgoyne . D. . 18557 6 Lee Haynes . P. . 18557 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' . 18557 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'calcium-binding protein' . 18557 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18557 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 18557 '15N chemical shifts' 88 18557 '1H chemical shifts' 590 18557 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-19 2012-06-29 update BMRB 'update entry citation' 18557 1 . . 2012-09-25 2012-06-29 original author 'original release' 18557 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LV7 'BMRB Entry Tracking System' 18557 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18557 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22989873 _Citation.Full_citation . _Citation.Title 'Solution NMR structure of the Ca2+-bound N-terminal domain of CaBP7: a regulator of golgi trafficking.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 45 _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 38231 _Citation.Page_last 38243 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hannah McCue . V. . 18557 1 2 Pryank Patel . . . 18557 1 3 Andrew Herbert . P. . 18557 1 4 Lu-Yun Lian . . . 18557 1 5 Robert Burgoyne . D. . 18557 1 6 Lee Haynes . P. . 18557 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18557 _Assembly.ID 1 _Assembly.Name 'Ca2+-bound CaBP7 N-terminal doman' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _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 'CaBP7 N-terminal doman' 1 $CaBP7_N-terminal_Domain A . yes native no no . . . 18557 1 2 'Calcium ion 1' 2 $entity_CA B . no native no no . . . 18557 1 3 'Calcium ion 2' 2 $entity_CA C . no native no no . . . 18557 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CaBP7_N-terminal_Domain _Entity.Sf_category entity _Entity.Sf_framecode CaBP7_N-terminal_Domain _Entity.Entry_ID 18557 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CaBP7_N-terminal_Domain _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 ; MPFHPVTAALMYRGIYTVPN LLSEQRPVDIPEDELEEIRE AFKVFDRDGNGFISKQELGT AMRSLGYMPNEVELEVIIQR LDMDGDGQVDFEEFVTLLGP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11400.962 _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 PDB 2LV7 . "Solution Structure Of Ca2+-Bound Cabp7 N-Terminal Doman" . . . . . 100.00 100 100.00 100.00 1.45e-64 . . . . 18557 1 2 no EMBL CAG08146 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 64.00 179 98.44 98.44 2.05e-35 . . . . 18557 1 3 no EMBL CDQ61254 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 66.00 227 96.97 96.97 1.78e-35 . . . . 18557 1 4 no EMBL CDQ73336 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 64.00 201 98.44 98.44 2.14e-35 . . . . 18557 1 5 no GB AAH51805 . "Calcium binding protein 7 [Homo sapiens]" . . . . . 100.00 215 100.00 100.00 4.73e-65 . . . . 18557 1 6 no GB AAH81959 . "Calcium binding protein 7 [Rattus norvegicus]" . . . . . 100.00 215 100.00 100.00 4.73e-65 . . . . 18557 1 7 no GB AAI04357 . "Calcium binding protein 7 [Mus musculus]" . . . . . 100.00 215 100.00 100.00 4.73e-65 . . . . 18557 1 8 no GB AAI04358 . "Calcium binding protein 7 [Mus musculus]" . . . . . 100.00 215 100.00 100.00 4.73e-65 . . . . 18557 1 9 no GB AAL14997 . "calcium-binding protein CaBP7 [Mus musculus]" . . . . . 100.00 215 100.00 100.00 4.73e-65 . . . . 18557 1 10 no REF NP_001007731 . "calcium-binding protein 7 [Rattus norvegicus]" . . . . . 100.00 215 100.00 100.00 4.73e-65 . . . . 18557 1 11 no REF NP_620398 . "calcium-binding protein 7 [Mus musculus]" . . . . . 100.00 215 100.00 100.00 4.73e-65 . . . . 18557 1 12 no REF NP_872333 . "calcium-binding protein 7 [Homo sapiens]" . . . . . 100.00 215 100.00 100.00 4.73e-65 . . . . 18557 1 13 no REF XP_001234278 . "PREDICTED: calcium-binding protein 7 [Gallus gallus]" . . . . . 64.00 193 100.00 100.00 3.48e-36 . . . . 18557 1 14 no REF XP_002707748 . "PREDICTED: calcium-binding protein 7 [Bos taurus]" . . . . . 64.00 288 100.00 100.00 1.19e-34 . . . . 18557 1 15 no SP Q66H96 . "RecName: Full=Calcium-binding protein 7; Short=CaBP7; AltName: Full=Calneuron II; AltName: Full=Calneuron-2" . . . . . 100.00 215 100.00 100.00 4.73e-65 . . . . 18557 1 16 no SP Q866X0 . "RecName: Full=Calcium-binding protein 7; Short=CaBP7; AltName: Full=Calneuron II; AltName: Full=Calneuron-2" . . . . . 100.00 215 100.00 100.00 4.73e-65 . . . . 18557 1 17 no SP Q86V35 . "RecName: Full=Calcium-binding protein 7; Short=CaBP7; AltName: Full=Calneuron II; AltName: Full=Calneuron-2" . . . . . 100.00 215 100.00 100.00 4.73e-65 . . . . 18557 1 18 no SP Q91ZM8 . "RecName: Full=Calcium-binding protein 7; Short=CaBP7; AltName: Full=Calneuron II; AltName: Full=Calneuron-2" . . . . . 100.00 215 100.00 100.00 4.73e-65 . . . . 18557 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 . 18557 1 2 2 PRO . 18557 1 3 3 PHE . 18557 1 4 4 HIS . 18557 1 5 5 PRO . 18557 1 6 6 VAL . 18557 1 7 7 THR . 18557 1 8 8 ALA . 18557 1 9 9 ALA . 18557 1 10 10 LEU . 18557 1 11 11 MET . 18557 1 12 12 TYR . 18557 1 13 13 ARG . 18557 1 14 14 GLY . 18557 1 15 15 ILE . 18557 1 16 16 TYR . 18557 1 17 17 THR . 18557 1 18 18 VAL . 18557 1 19 19 PRO . 18557 1 20 20 ASN . 18557 1 21 21 LEU . 18557 1 22 22 LEU . 18557 1 23 23 SER . 18557 1 24 24 GLU . 18557 1 25 25 GLN . 18557 1 26 26 ARG . 18557 1 27 27 PRO . 18557 1 28 28 VAL . 18557 1 29 29 ASP . 18557 1 30 30 ILE . 18557 1 31 31 PRO . 18557 1 32 32 GLU . 18557 1 33 33 ASP . 18557 1 34 34 GLU . 18557 1 35 35 LEU . 18557 1 36 36 GLU . 18557 1 37 37 GLU . 18557 1 38 38 ILE . 18557 1 39 39 ARG . 18557 1 40 40 GLU . 18557 1 41 41 ALA . 18557 1 42 42 PHE . 18557 1 43 43 LYS . 18557 1 44 44 VAL . 18557 1 45 45 PHE . 18557 1 46 46 ASP . 18557 1 47 47 ARG . 18557 1 48 48 ASP . 18557 1 49 49 GLY . 18557 1 50 50 ASN . 18557 1 51 51 GLY . 18557 1 52 52 PHE . 18557 1 53 53 ILE . 18557 1 54 54 SER . 18557 1 55 55 LYS . 18557 1 56 56 GLN . 18557 1 57 57 GLU . 18557 1 58 58 LEU . 18557 1 59 59 GLY . 18557 1 60 60 THR . 18557 1 61 61 ALA . 18557 1 62 62 MET . 18557 1 63 63 ARG . 18557 1 64 64 SER . 18557 1 65 65 LEU . 18557 1 66 66 GLY . 18557 1 67 67 TYR . 18557 1 68 68 MET . 18557 1 69 69 PRO . 18557 1 70 70 ASN . 18557 1 71 71 GLU . 18557 1 72 72 VAL . 18557 1 73 73 GLU . 18557 1 74 74 LEU . 18557 1 75 75 GLU . 18557 1 76 76 VAL . 18557 1 77 77 ILE . 18557 1 78 78 ILE . 18557 1 79 79 GLN . 18557 1 80 80 ARG . 18557 1 81 81 LEU . 18557 1 82 82 ASP . 18557 1 83 83 MET . 18557 1 84 84 ASP . 18557 1 85 85 GLY . 18557 1 86 86 ASP . 18557 1 87 87 GLY . 18557 1 88 88 GLN . 18557 1 89 89 VAL . 18557 1 90 90 ASP . 18557 1 91 91 PHE . 18557 1 92 92 GLU . 18557 1 93 93 GLU . 18557 1 94 94 PHE . 18557 1 95 95 VAL . 18557 1 96 96 THR . 18557 1 97 97 LEU . 18557 1 98 98 LEU . 18557 1 99 99 GLY . 18557 1 100 100 PRO . 18557 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 18557 1 . PRO 2 2 18557 1 . PHE 3 3 18557 1 . HIS 4 4 18557 1 . PRO 5 5 18557 1 . VAL 6 6 18557 1 . THR 7 7 18557 1 . ALA 8 8 18557 1 . ALA 9 9 18557 1 . LEU 10 10 18557 1 . MET 11 11 18557 1 . TYR 12 12 18557 1 . ARG 13 13 18557 1 . GLY 14 14 18557 1 . ILE 15 15 18557 1 . TYR 16 16 18557 1 . THR 17 17 18557 1 . VAL 18 18 18557 1 . PRO 19 19 18557 1 . ASN 20 20 18557 1 . LEU 21 21 18557 1 . LEU 22 22 18557 1 . SER 23 23 18557 1 . GLU 24 24 18557 1 . GLN 25 25 18557 1 . ARG 26 26 18557 1 . PRO 27 27 18557 1 . VAL 28 28 18557 1 . ASP 29 29 18557 1 . ILE 30 30 18557 1 . PRO 31 31 18557 1 . GLU 32 32 18557 1 . ASP 33 33 18557 1 . GLU 34 34 18557 1 . LEU 35 35 18557 1 . GLU 36 36 18557 1 . GLU 37 37 18557 1 . ILE 38 38 18557 1 . ARG 39 39 18557 1 . GLU 40 40 18557 1 . ALA 41 41 18557 1 . PHE 42 42 18557 1 . LYS 43 43 18557 1 . VAL 44 44 18557 1 . PHE 45 45 18557 1 . ASP 46 46 18557 1 . ARG 47 47 18557 1 . ASP 48 48 18557 1 . GLY 49 49 18557 1 . ASN 50 50 18557 1 . GLY 51 51 18557 1 . PHE 52 52 18557 1 . ILE 53 53 18557 1 . SER 54 54 18557 1 . LYS 55 55 18557 1 . GLN 56 56 18557 1 . GLU 57 57 18557 1 . LEU 58 58 18557 1 . GLY 59 59 18557 1 . THR 60 60 18557 1 . ALA 61 61 18557 1 . MET 62 62 18557 1 . ARG 63 63 18557 1 . SER 64 64 18557 1 . LEU 65 65 18557 1 . GLY 66 66 18557 1 . TYR 67 67 18557 1 . MET 68 68 18557 1 . PRO 69 69 18557 1 . ASN 70 70 18557 1 . GLU 71 71 18557 1 . VAL 72 72 18557 1 . GLU 73 73 18557 1 . LEU 74 74 18557 1 . GLU 75 75 18557 1 . VAL 76 76 18557 1 . ILE 77 77 18557 1 . ILE 78 78 18557 1 . GLN 79 79 18557 1 . ARG 80 80 18557 1 . LEU 81 81 18557 1 . ASP 82 82 18557 1 . MET 83 83 18557 1 . ASP 84 84 18557 1 . GLY 85 85 18557 1 . ASP 86 86 18557 1 . GLY 87 87 18557 1 . GLN 88 88 18557 1 . VAL 89 89 18557 1 . ASP 90 90 18557 1 . PHE 91 91 18557 1 . GLU 92 92 18557 1 . GLU 93 93 18557 1 . PHE 94 94 18557 1 . VAL 95 95 18557 1 . THR 96 96 18557 1 . LEU 97 97 18557 1 . LEU 98 98 18557 1 . GLY 99 99 18557 1 . PRO 100 100 18557 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 18557 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 18557 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 18557 2 CA 'Three letter code' 18557 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 18557 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 18557 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18557 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CaBP7_N-terminal_Domain . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18557 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 18557 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CaBP7_N-terminal_Domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pE-Sumo Vector, T7, Kan' . . . . . . 18557 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 18557 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-04-05 _Chem_comp.Modified_date 2012-04-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _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 2 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _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 no _Chem_comp.Model_coordinates_db_code . _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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 18557 CA [Ca++] SMILES CACTVS 3.341 18557 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 18557 CA [Ca+2] SMILES ACDLabs 10.04 18557 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 18557 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18557 CA InChI=1S/Ca/q+2 InChI InChI 1.03 18557 CA 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 calcium 'SYSTEMATIC NAME' ACDLabs 10.04 18557 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18557 CA 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 CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18557 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C-15N_CaBP7 _Sample.Sf_category sample _Sample.Sf_framecode 13C-15N_CaBP7 _Sample.Entry_ID 18557 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CaBP7 N-terminal Domain' '[U-13C; U-15N]' . . 1 $CaBP7_N-terminal_Domain . . . 0.2 1.0 mM . . . . 18557 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18557 1 3 D2O [U-2H] . . . . . . 10 . . % . . . . 18557 1 stop_ save_ save_15N_CaBP7 _Sample.Sf_category sample _Sample.Sf_framecode 15N_CaBP7 _Sample.Entry_ID 18557 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CaBP7 N-terminal Domain' [U-15N] . . 1 $CaBP7_N-terminal_Domain . . . 0.2 1.0 mM . . . . 18557 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18557 2 3 D2O [U-2H] . . . . . . 10 . . % . . . . 18557 2 stop_ save_ save_15N_CaBP7_D2O _Sample.Sf_category sample _Sample.Sf_framecode 15N_CaBP7_D2O _Sample.Entry_ID 18557 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CaBP7 N-terminal Domain' [U-15N] . . 1 $CaBP7_N-terminal_Domain . . 0.4 . . mM . . . . 18557 3 2 D2O [U-2H] . . . . . . 100 . . % . . . . 18557 3 stop_ save_ save_15N_CaBP7_Pf1 _Sample.Sf_category sample _Sample.Sf_framecode 15N_CaBP7_Pf1 _Sample.Entry_ID 18557 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CaBP7 N-terminal Domain' [U-15N] . . 1 $CaBP7_N-terminal_Domain . . 0.4 . . mM . . . . 18557 4 2 'Pf1 phage' 'natural abundance' . . . . . . 20 . . mg/mL . . . . 18557 4 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18557 4 4 D2O [U-2H] . . . . . . 10 . . % . . . . 18557 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_1 _Sample_condition_list.Entry_ID 18557 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM HEPES, 50 mM NaCl, 30 mM octyl-glucoside, pH 6.5' 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 18557 1 pH 6.5 . pH 18557 1 pressure 1 . atm 18557 1 temperature 303 . K 18557 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 18557 _Software.ID 1 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18557 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18557 1 'data analysis' 18557 1 'peak picking' 18557 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18557 _Software.ID 2 _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' . . 18557 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18557 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18557 _Software.ID 3 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18557 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18557 3 'structure solution' 18557 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18557 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18557 _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 18557 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18557 1 2 spectrometer_2 Bruker Avance . 800 . . . 18557 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 18557 _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 . . . . . . . . . . 2 $15N_CaBP7 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $13C-15N_CaBP7 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $13C-15N_CaBP7 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 4 '3D HNCO' no . . . . . . . . . . 1 $13C-15N_CaBP7 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 5 '3D HNCA' no . . . . . . . . . . 1 $13C-15N_CaBP7 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 6 '3D HNCACB' no . . . . . . . . . . 1 $13C-15N_CaBP7 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $13C-15N_CaBP7 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $13C-15N_CaBP7 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $13C-15N_CaBP7 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $13C-15N_CaBP7 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $13C-15N_CaBP7 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $13C-15N_CaBP7 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 13 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $13C-15N_CaBP7 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 14 '3D HN(COCA)CB' no . . . . . . . . . . 1 $13C-15N_CaBP7 isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 15 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $15N_CaBP7_D2O isotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 1 16 '2D 1H-15N HSQC' no . . . . . . . . . . 4 $15N_CaBP7_Pf1 anisotropic . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 18557 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 18557 _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 na indirect 0.251449530 . . . . . . . . . 18557 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 18557 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 18557 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 18557 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_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' . . . 18557 1 2 '2D 1H-13C HSQC' . . . 18557 1 3 '3D CBCA(CO)NH' . . . 18557 1 4 '3D HNCO' . . . 18557 1 5 '3D HNCA' . . . 18557 1 6 '3D HNCACB' . . . 18557 1 7 '3D HBHA(CO)NH' . . . 18557 1 8 '3D HN(CO)CA' . . . 18557 1 9 '3D HCCH-TOCSY' . . . 18557 1 14 '3D HN(COCA)CB' . . . 18557 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 13 13 ARG HA H 1 4.205 0.000 . 1 . . . A 13 ARG HA . 18557 1 2 . 1 1 13 13 ARG HB2 H 1 1.757 0.000 . 1 . . . A 13 ARG HB2 . 18557 1 3 . 1 1 13 13 ARG HB3 H 1 1.757 0.000 . 1 . . . A 13 ARG HB3 . 18557 1 4 . 1 1 13 13 ARG C C 13 176.671 0.000 . 1 . . . A 13 ARG C . 18557 1 5 . 1 1 14 14 GLY H H 1 7.898 0.004 . 1 . . . A 14 GLY H . 18557 1 6 . 1 1 14 14 GLY HA2 H 1 3.863 0.003 . 1 . . . A 14 GLY HA2 . 18557 1 7 . 1 1 14 14 GLY HA3 H 1 3.882 0.016 . 1 . . . A 14 GLY HA3 . 18557 1 8 . 1 1 14 14 GLY C C 13 174.063 0.019 . 1 . . . A 14 GLY C . 18557 1 9 . 1 1 14 14 GLY CA C 13 45.655 0.064 . 1 . . . A 14 GLY CA . 18557 1 10 . 1 1 14 14 GLY N N 15 107.941 0.024 . 1 . . . A 14 GLY N . 18557 1 11 . 1 1 15 15 ILE H H 1 7.764 0.005 . 1 . . . A 15 ILE H . 18557 1 12 . 1 1 15 15 ILE HA H 1 4.097 0.003 . 1 . . . A 15 ILE HA . 18557 1 13 . 1 1 15 15 ILE HB H 1 1.740 0.004 . 1 . . . A 15 ILE HB . 18557 1 14 . 1 1 15 15 ILE HG12 H 1 1.022 0.003 . 1 . . . A 15 ILE HG12 . 18557 1 15 . 1 1 15 15 ILE HG13 H 1 1.219 0.011 . 1 . . . A 15 ILE HG13 . 18557 1 16 . 1 1 15 15 ILE HG21 H 1 0.775 0.004 . 1 . . . A 15 ILE HG21 . 18557 1 17 . 1 1 15 15 ILE HG22 H 1 0.775 0.004 . 1 . . . A 15 ILE HG22 . 18557 1 18 . 1 1 15 15 ILE HG23 H 1 0.775 0.004 . 1 . . . A 15 ILE HG23 . 18557 1 19 . 1 1 15 15 ILE HD11 H 1 0.770 0.004 . 1 . . . A 15 ILE HD11 . 18557 1 20 . 1 1 15 15 ILE HD12 H 1 0.770 0.004 . 1 . . . A 15 ILE HD12 . 18557 1 21 . 1 1 15 15 ILE HD13 H 1 0.770 0.004 . 1 . . . A 15 ILE HD13 . 18557 1 22 . 1 1 15 15 ILE C C 13 175.585 0.000 . 1 . . . A 15 ILE C . 18557 1 23 . 1 1 15 15 ILE CA C 13 61.648 0.055 . 1 . . . A 15 ILE CA . 18557 1 24 . 1 1 15 15 ILE CB C 13 38.688 0.142 . 1 . . . A 15 ILE CB . 18557 1 25 . 1 1 15 15 ILE CG1 C 13 26.833 0.075 . 1 . . . A 15 ILE CG1 . 18557 1 26 . 1 1 15 15 ILE CG2 C 13 17.422 0.026 . 1 . . . A 15 ILE CG2 . 18557 1 27 . 1 1 15 15 ILE CD1 C 13 12.986 0.003 . 1 . . . A 15 ILE CD1 . 18557 1 28 . 1 1 15 15 ILE N N 15 118.783 0.068 . 1 . . . A 15 ILE N . 18557 1 29 . 1 1 16 16 TYR H H 1 7.994 0.004 . 1 . . . A 16 TYR H . 18557 1 30 . 1 1 16 16 TYR HA H 1 4.641 0.000 . 1 . . . A 16 TYR HA . 18557 1 31 . 1 1 16 16 TYR HB2 H 1 2.819 0.000 . 1 . . . A 16 TYR HB2 . 18557 1 32 . 1 1 16 16 TYR HB3 H 1 3.045 0.000 . 1 . . . A 16 TYR HB3 . 18557 1 33 . 1 1 16 16 TYR HD1 H 1 7.023 0.000 . 3 . . . A 16 TYR HD1 . 18557 1 34 . 1 1 16 16 TYR HD2 H 1 7.023 0.000 . 3 . . . A 16 TYR HD2 . 18557 1 35 . 1 1 16 16 TYR HE1 H 1 6.739 0.000 . 3 . . . A 16 TYR HE1 . 18557 1 36 . 1 1 16 16 TYR HE2 H 1 6.739 0.000 . 3 . . . A 16 TYR HE2 . 18557 1 37 . 1 1 16 16 TYR C C 13 175.515 0.003 . 1 . . . A 16 TYR C . 18557 1 38 . 1 1 16 16 TYR CA C 13 57.747 0.082 . 1 . . . A 16 TYR CA . 18557 1 39 . 1 1 16 16 TYR CB C 13 38.964 0.022 . 1 . . . A 16 TYR CB . 18557 1 40 . 1 1 16 16 TYR CD1 C 13 132.788 0.000 . 3 . . . A 16 TYR CD1 . 18557 1 41 . 1 1 16 16 TYR CD2 C 13 132.788 0.000 . 3 . . . A 16 TYR CD2 . 18557 1 42 . 1 1 16 16 TYR CE1 C 13 118.057 0.000 . 3 . . . A 16 TYR CE1 . 18557 1 43 . 1 1 16 16 TYR CE2 C 13 118.057 0.000 . 3 . . . A 16 TYR CE2 . 18557 1 44 . 1 1 16 16 TYR N N 15 121.496 0.029 . 1 . . . A 16 TYR N . 18557 1 45 . 1 1 17 17 THR H H 1 7.840 0.007 . 1 . . . A 17 THR H . 18557 1 46 . 1 1 17 17 THR C C 13 173.807 0.015 . 1 . . . A 17 THR C . 18557 1 47 . 1 1 17 17 THR CA C 13 61.575 0.046 . 1 . . . A 17 THR CA . 18557 1 48 . 1 1 17 17 THR CB C 13 70.047 0.055 . 1 . . . A 17 THR CB . 18557 1 49 . 1 1 17 17 THR N N 15 115.441 0.058 . 1 . . . A 17 THR N . 18557 1 50 . 1 1 18 18 VAL H H 1 8.021 0.006 . 1 . . . A 18 VAL H . 18557 1 51 . 1 1 18 18 VAL HA H 1 4.279 0.000 . 1 . . . A 18 VAL HA . 18557 1 52 . 1 1 18 18 VAL HB H 1 2.051 0.000 . 1 . . . A 18 VAL HB . 18557 1 53 . 1 1 18 18 VAL HG11 H 1 0.954 0.000 . 1 . . . A 18 VAL HG11 . 18557 1 54 . 1 1 18 18 VAL HG12 H 1 0.954 0.000 . 1 . . . A 18 VAL HG12 . 18557 1 55 . 1 1 18 18 VAL HG13 H 1 0.954 0.000 . 1 . . . A 18 VAL HG13 . 18557 1 56 . 1 1 18 18 VAL HG21 H 1 0.954 0.000 . 1 . . . A 18 VAL HG21 . 18557 1 57 . 1 1 18 18 VAL HG22 H 1 0.954 0.000 . 1 . . . A 18 VAL HG22 . 18557 1 58 . 1 1 18 18 VAL HG23 H 1 0.954 0.000 . 1 . . . A 18 VAL HG23 . 18557 1 59 . 1 1 18 18 VAL C C 13 174.436 0.000 . 1 . . . A 18 VAL C . 18557 1 60 . 1 1 18 18 VAL CA C 13 60.581 0.000 . 1 . . . A 18 VAL CA . 18557 1 61 . 1 1 18 18 VAL CB C 13 32.286 0.000 . 1 . . . A 18 VAL CB . 18557 1 62 . 1 1 18 18 VAL CG1 C 13 21.406 0.000 . 1 . . . A 18 VAL CG1 . 18557 1 63 . 1 1 18 18 VAL CG2 C 13 21.406 0.000 . 1 . . . A 18 VAL CG2 . 18557 1 64 . 1 1 18 18 VAL N N 15 122.970 0.035 . 1 . . . A 18 VAL N . 18557 1 65 . 1 1 19 19 PRO HA H 1 4.334 0.000 . 1 . . . A 19 PRO HA . 18557 1 66 . 1 1 19 19 PRO HB2 H 1 1.834 0.000 . 1 . . . A 19 PRO HB2 . 18557 1 67 . 1 1 19 19 PRO HB3 H 1 2.250 0.000 . 1 . . . A 19 PRO HB3 . 18557 1 68 . 1 1 19 19 PRO HD2 H 1 3.617 0.000 . 1 . . . A 19 PRO HD2 . 18557 1 69 . 1 1 19 19 PRO HD3 H 1 3.866 0.000 . 1 . . . A 19 PRO HD3 . 18557 1 70 . 1 1 19 19 PRO C C 13 176.538 0.000 . 1 . . . A 19 PRO C . 18557 1 71 . 1 1 19 19 PRO CA C 13 63.583 0.039 . 1 . . . A 19 PRO CA . 18557 1 72 . 1 1 19 19 PRO CB C 13 31.969 0.011 . 1 . . . A 19 PRO CB . 18557 1 73 . 1 1 19 19 PRO CD C 13 50.987 0.000 . 1 . . . A 19 PRO CD . 18557 1 74 . 1 1 20 20 ASN H H 1 8.318 0.003 . 1 . . . A 20 ASN H . 18557 1 75 . 1 1 20 20 ASN HA H 1 4.616 0.006 . 1 . . . A 20 ASN HA . 18557 1 76 . 1 1 20 20 ASN HB2 H 1 2.772 0.017 . 1 . . . A 20 ASN HB2 . 18557 1 77 . 1 1 20 20 ASN HB3 H 1 2.800 0.011 . 1 . . . A 20 ASN HB3 . 18557 1 78 . 1 1 20 20 ASN HD21 H 1 6.854 0.000 . 1 . . . A 20 ASN HD21 . 18557 1 79 . 1 1 20 20 ASN HD22 H 1 7.570 0.000 . 1 . . . A 20 ASN HD22 . 18557 1 80 . 1 1 20 20 ASN C C 13 175.396 0.007 . 1 . . . A 20 ASN C . 18557 1 81 . 1 1 20 20 ASN CA C 13 53.451 0.107 . 1 . . . A 20 ASN CA . 18557 1 82 . 1 1 20 20 ASN CB C 13 38.590 0.027 . 1 . . . A 20 ASN CB . 18557 1 83 . 1 1 20 20 ASN N N 15 117.540 0.025 . 1 . . . A 20 ASN N . 18557 1 84 . 1 1 20 20 ASN ND2 N 15 112.566 0.000 . 1 . . . A 20 ASN ND2 . 18557 1 85 . 1 1 21 21 LEU H H 1 8.105 0.002 . 1 . . . A 21 LEU H . 18557 1 86 . 1 1 21 21 LEU HA H 1 4.262 0.000 . 1 . . . A 21 LEU HA . 18557 1 87 . 1 1 21 21 LEU HB2 H 1 1.601 0.000 . 1 . . . A 21 LEU HB2 . 18557 1 88 . 1 1 21 21 LEU HB3 H 1 1.601 0.000 . 1 . . . A 21 LEU HB3 . 18557 1 89 . 1 1 21 21 LEU HG H 1 1.589 0.000 . 1 . . . A 21 LEU HG . 18557 1 90 . 1 1 21 21 LEU HD11 H 1 0.892 0.000 . 1 . . . A 21 LEU HD11 . 18557 1 91 . 1 1 21 21 LEU HD12 H 1 0.892 0.000 . 1 . . . A 21 LEU HD12 . 18557 1 92 . 1 1 21 21 LEU HD13 H 1 0.892 0.000 . 1 . . . A 21 LEU HD13 . 18557 1 93 . 1 1 21 21 LEU HD21 H 1 0.834 0.000 . 1 . . . A 21 LEU HD21 . 18557 1 94 . 1 1 21 21 LEU HD22 H 1 0.834 0.000 . 1 . . . A 21 LEU HD22 . 18557 1 95 . 1 1 21 21 LEU HD23 H 1 0.834 0.000 . 1 . . . A 21 LEU HD23 . 18557 1 96 . 1 1 21 21 LEU C C 13 177.326 0.015 . 1 . . . A 21 LEU C . 18557 1 97 . 1 1 21 21 LEU CA C 13 55.888 0.027 . 1 . . . A 21 LEU CA . 18557 1 98 . 1 1 21 21 LEU CB C 13 42.343 0.024 . 1 . . . A 21 LEU CB . 18557 1 99 . 1 1 21 21 LEU CG C 13 26.917 0.000 . 1 . . . A 21 LEU CG . 18557 1 100 . 1 1 21 21 LEU CD1 C 13 24.905 0.000 . 1 . . . A 21 LEU CD1 . 18557 1 101 . 1 1 21 21 LEU CD2 C 13 23.824 0.000 . 1 . . . A 21 LEU CD2 . 18557 1 102 . 1 1 21 21 LEU N N 15 121.810 0.029 . 1 . . . A 21 LEU N . 18557 1 103 . 1 1 22 22 LEU H H 1 8.078 0.002 . 1 . . . A 22 LEU H . 18557 1 104 . 1 1 22 22 LEU HA H 1 4.330 0.000 . 1 . . . A 22 LEU HA . 18557 1 105 . 1 1 22 22 LEU HB2 H 1 1.629 0.000 . 1 . . . A 22 LEU HB2 . 18557 1 106 . 1 1 22 22 LEU HB3 H 1 1.629 0.000 . 1 . . . A 22 LEU HB3 . 18557 1 107 . 1 1 22 22 LEU HG H 1 1.591 0.000 . 1 . . . A 22 LEU HG . 18557 1 108 . 1 1 22 22 LEU HD11 H 1 0.895 0.000 . 1 . . . A 22 LEU HD11 . 18557 1 109 . 1 1 22 22 LEU HD12 H 1 0.895 0.000 . 1 . . . A 22 LEU HD12 . 18557 1 110 . 1 1 22 22 LEU HD13 H 1 0.895 0.000 . 1 . . . A 22 LEU HD13 . 18557 1 111 . 1 1 22 22 LEU HD21 H 1 0.837 0.000 . 1 . . . A 22 LEU HD21 . 18557 1 112 . 1 1 22 22 LEU HD22 H 1 0.837 0.000 . 1 . . . A 22 LEU HD22 . 18557 1 113 . 1 1 22 22 LEU HD23 H 1 0.837 0.000 . 1 . . . A 22 LEU HD23 . 18557 1 114 . 1 1 22 22 LEU C C 13 177.444 0.016 . 1 . . . A 22 LEU C . 18557 1 115 . 1 1 22 22 LEU CA C 13 55.351 0.078 . 1 . . . A 22 LEU CA . 18557 1 116 . 1 1 22 22 LEU CB C 13 42.043 0.063 . 1 . . . A 22 LEU CB . 18557 1 117 . 1 1 22 22 LEU CG C 13 26.966 0.000 . 1 . . . A 22 LEU CG . 18557 1 118 . 1 1 22 22 LEU CD1 C 13 24.980 0.000 . 1 . . . A 22 LEU CD1 . 18557 1 119 . 1 1 22 22 LEU CD2 C 13 23.669 0.000 . 1 . . . A 22 LEU CD2 . 18557 1 120 . 1 1 22 22 LEU N N 15 120.460 0.024 . 1 . . . A 22 LEU N . 18557 1 121 . 1 1 23 23 SER H H 1 7.979 0.006 . 1 . . . A 23 SER H . 18557 1 122 . 1 1 23 23 SER HA H 1 4.354 0.000 . 1 . . . A 23 SER HA . 18557 1 123 . 1 1 23 23 SER HB2 H 1 3.821 0.001 . 1 . . . A 23 SER HB2 . 18557 1 124 . 1 1 23 23 SER HB3 H 1 3.874 0.001 . 1 . . . A 23 SER HB3 . 18557 1 125 . 1 1 23 23 SER C C 13 174.608 0.030 . 1 . . . A 23 SER C . 18557 1 126 . 1 1 23 23 SER CA C 13 58.707 0.043 . 1 . . . A 23 SER CA . 18557 1 127 . 1 1 23 23 SER CB C 13 63.857 0.029 . 1 . . . A 23 SER CB . 18557 1 128 . 1 1 23 23 SER N N 15 115.055 0.044 . 1 . . . A 23 SER N . 18557 1 129 . 1 1 24 24 GLU H H 1 8.261 0.004 . 1 . . . A 24 GLU H . 18557 1 130 . 1 1 24 24 GLU HA H 1 4.266 0.005 . 1 . . . A 24 GLU HA . 18557 1 131 . 1 1 24 24 GLU HB2 H 1 1.958 0.054 . 1 . . . A 24 GLU HB2 . 18557 1 132 . 1 1 24 24 GLU HB3 H 1 2.042 0.015 . 1 . . . A 24 GLU HB3 . 18557 1 133 . 1 1 24 24 GLU HG2 H 1 2.228 0.020 . 1 . . . A 24 GLU HG2 . 18557 1 134 . 1 1 24 24 GLU HG3 H 1 2.233 0.013 . 1 . . . A 24 GLU HG3 . 18557 1 135 . 1 1 24 24 GLU C C 13 176.214 0.007 . 1 . . . A 24 GLU C . 18557 1 136 . 1 1 24 24 GLU CA C 13 56.688 0.046 . 1 . . . A 24 GLU CA . 18557 1 137 . 1 1 24 24 GLU CB C 13 30.256 0.063 . 1 . . . A 24 GLU CB . 18557 1 138 . 1 1 24 24 GLU CG C 13 36.270 0.003 . 1 . . . A 24 GLU CG . 18557 1 139 . 1 1 24 24 GLU N N 15 121.748 0.039 . 1 . . . A 24 GLU N . 18557 1 140 . 1 1 25 25 GLN H H 1 8.198 0.003 . 1 . . . A 25 GLN H . 18557 1 141 . 1 1 25 25 GLN HA H 1 4.290 0.004 . 1 . . . A 25 GLN HA . 18557 1 142 . 1 1 25 25 GLN HB2 H 1 1.952 0.025 . 1 . . . A 25 GLN HB2 . 18557 1 143 . 1 1 25 25 GLN HB3 H 1 2.043 0.015 . 1 . . . A 25 GLN HB3 . 18557 1 144 . 1 1 25 25 GLN HG2 H 1 2.316 0.002 . 1 . . . A 25 GLN HG2 . 18557 1 145 . 1 1 25 25 GLN HG3 H 1 2.315 0.002 . 1 . . . A 25 GLN HG3 . 18557 1 146 . 1 1 25 25 GLN HE21 H 1 6.781 0.000 . 1 . . . A 25 GLN HE21 . 18557 1 147 . 1 1 25 25 GLN HE22 H 1 7.492 0.000 . 1 . . . A 25 GLN HE22 . 18557 1 148 . 1 1 25 25 GLN C C 13 175.428 0.002 . 1 . . . A 25 GLN C . 18557 1 149 . 1 1 25 25 GLN CA C 13 55.727 0.038 . 1 . . . A 25 GLN CA . 18557 1 150 . 1 1 25 25 GLN CB C 13 29.392 0.102 . 1 . . . A 25 GLN CB . 18557 1 151 . 1 1 25 25 GLN CG C 13 33.867 0.024 . 1 . . . A 25 GLN CG . 18557 1 152 . 1 1 25 25 GLN N N 15 120.289 0.042 . 1 . . . A 25 GLN N . 18557 1 153 . 1 1 25 25 GLN NE2 N 15 112.329 0.000 . 1 . . . A 25 GLN NE2 . 18557 1 154 . 1 1 26 26 ARG H H 1 8.252 0.007 . 1 . . . A 26 ARG H . 18557 1 155 . 1 1 26 26 ARG HA H 1 4.605 0.001 . 1 . . . A 26 ARG HA . 18557 1 156 . 1 1 26 26 ARG HB2 H 1 1.708 0.003 . 1 . . . A 26 ARG HB2 . 18557 1 157 . 1 1 26 26 ARG HB3 H 1 1.821 0.002 . 1 . . . A 26 ARG HB3 . 18557 1 158 . 1 1 26 26 ARG HG2 H 1 1.642 0.002 . 1 . . . A 26 ARG HG2 . 18557 1 159 . 1 1 26 26 ARG HG3 H 1 1.642 0.002 . 1 . . . A 26 ARG HG3 . 18557 1 160 . 1 1 26 26 ARG HD2 H 1 3.185 0.005 . 1 . . . A 26 ARG HD2 . 18557 1 161 . 1 1 26 26 ARG HD3 H 1 3.185 0.004 . 1 . . . A 26 ARG HD3 . 18557 1 162 . 1 1 26 26 ARG C C 13 174.138 0.000 . 1 . . . A 26 ARG C . 18557 1 163 . 1 1 26 26 ARG CA C 13 54.006 0.028 . 1 . . . A 26 ARG CA . 18557 1 164 . 1 1 26 26 ARG CB C 13 30.367 0.088 . 1 . . . A 26 ARG CB . 18557 1 165 . 1 1 26 26 ARG CG C 13 26.896 0.000 . 1 . . . A 26 ARG CG . 18557 1 166 . 1 1 26 26 ARG CD C 13 43.420 0.044 . 1 . . . A 26 ARG CD . 18557 1 167 . 1 1 26 26 ARG N N 15 123.318 0.063 . 1 . . . A 26 ARG N . 18557 1 168 . 1 1 27 27 PRO HA H 1 4.437 0.007 . 1 . . . A 27 PRO HA . 18557 1 169 . 1 1 27 27 PRO HB2 H 1 1.902 0.003 . 1 . . . A 27 PRO HB2 . 18557 1 170 . 1 1 27 27 PRO HB3 H 1 2.261 0.003 . 1 . . . A 27 PRO HB3 . 18557 1 171 . 1 1 27 27 PRO HG2 H 1 1.991 0.000 . 1 . . . A 27 PRO HG2 . 18557 1 172 . 1 1 27 27 PRO HG3 H 1 1.991 0.000 . 1 . . . A 27 PRO HG3 . 18557 1 173 . 1 1 27 27 PRO HD2 H 1 3.787 0.000 . 1 . . . A 27 PRO HD2 . 18557 1 174 . 1 1 27 27 PRO HD3 H 1 3.610 0.000 . 1 . . . A 27 PRO HD3 . 18557 1 175 . 1 1 27 27 PRO C C 13 176.697 0.000 . 1 . . . A 27 PRO C . 18557 1 176 . 1 1 27 27 PRO CA C 13 63.150 0.008 . 1 . . . A 27 PRO CA . 18557 1 177 . 1 1 27 27 PRO CB C 13 31.937 0.000 . 1 . . . A 27 PRO CB . 18557 1 178 . 1 1 27 27 PRO CG C 13 27.336 0.000 . 1 . . . A 27 PRO CG . 18557 1 179 . 1 1 27 27 PRO CD C 13 50.629 0.000 . 1 . . . A 27 PRO CD . 18557 1 180 . 1 1 28 28 VAL H H 1 8.023 0.008 . 1 . . . A 28 VAL H . 18557 1 181 . 1 1 28 28 VAL HA H 1 4.071 0.003 . 1 . . . A 28 VAL HA . 18557 1 182 . 1 1 28 28 VAL HB H 1 2.041 0.003 . 1 . . . A 28 VAL HB . 18557 1 183 . 1 1 28 28 VAL HG11 H 1 0.907 0.003 . 1 . . . A 28 VAL HG11 . 18557 1 184 . 1 1 28 28 VAL HG12 H 1 0.907 0.003 . 1 . . . A 28 VAL HG12 . 18557 1 185 . 1 1 28 28 VAL HG13 H 1 0.907 0.003 . 1 . . . A 28 VAL HG13 . 18557 1 186 . 1 1 28 28 VAL HG21 H 1 0.906 0.003 . 1 . . . A 28 VAL HG21 . 18557 1 187 . 1 1 28 28 VAL HG22 H 1 0.906 0.003 . 1 . . . A 28 VAL HG22 . 18557 1 188 . 1 1 28 28 VAL HG23 H 1 0.906 0.003 . 1 . . . A 28 VAL HG23 . 18557 1 189 . 1 1 28 28 VAL C C 13 175.528 0.013 . 1 . . . A 28 VAL C . 18557 1 190 . 1 1 28 28 VAL CA C 13 62.220 0.079 . 1 . . . A 28 VAL CA . 18557 1 191 . 1 1 28 28 VAL CB C 13 32.908 0.088 . 1 . . . A 28 VAL CB . 18557 1 192 . 1 1 28 28 VAL CG1 C 13 20.408 0.020 . 1 . . . A 28 VAL CG1 . 18557 1 193 . 1 1 28 28 VAL CG2 C 13 21.247 0.004 . 1 . . . A 28 VAL CG2 . 18557 1 194 . 1 1 28 28 VAL N N 15 118.463 0.076 . 1 . . . A 28 VAL N . 18557 1 195 . 1 1 29 29 ASP H H 1 8.203 0.002 . 1 . . . A 29 ASP H . 18557 1 196 . 1 1 29 29 ASP HA H 1 4.629 0.004 . 1 . . . A 29 ASP HA . 18557 1 197 . 1 1 29 29 ASP HB2 H 1 2.549 0.026 . 1 . . . A 29 ASP HB2 . 18557 1 198 . 1 1 29 29 ASP HB3 H 1 2.609 0.034 . 1 . . . A 29 ASP HB3 . 18557 1 199 . 1 1 29 29 ASP C C 13 175.320 0.000 . 1 . . . A 29 ASP C . 18557 1 200 . 1 1 29 29 ASP CA C 13 54.003 0.081 . 1 . . . A 29 ASP CA . 18557 1 201 . 1 1 29 29 ASP CB C 13 41.287 0.027 . 1 . . . A 29 ASP CB . 18557 1 202 . 1 1 29 29 ASP N N 15 122.805 0.032 . 1 . . . A 29 ASP N . 18557 1 203 . 1 1 30 30 ILE H H 1 7.928 0.009 . 1 . . . A 30 ILE H . 18557 1 204 . 1 1 30 30 ILE HA H 1 4.422 0.007 . 1 . . . A 30 ILE HA . 18557 1 205 . 1 1 30 30 ILE HB H 1 1.769 0.004 . 1 . . . A 30 ILE HB . 18557 1 206 . 1 1 30 30 ILE HG12 H 1 1.067 0.005 . 1 . . . A 30 ILE HG12 . 18557 1 207 . 1 1 30 30 ILE HG13 H 1 1.502 0.003 . 1 . . . A 30 ILE HG13 . 18557 1 208 . 1 1 30 30 ILE HG21 H 1 0.925 0.002 . 1 . . . A 30 ILE HG21 . 18557 1 209 . 1 1 30 30 ILE HG22 H 1 0.925 0.002 . 1 . . . A 30 ILE HG22 . 18557 1 210 . 1 1 30 30 ILE HG23 H 1 0.925 0.002 . 1 . . . A 30 ILE HG23 . 18557 1 211 . 1 1 30 30 ILE HD11 H 1 0.781 0.001 . 1 . . . A 30 ILE HD11 . 18557 1 212 . 1 1 30 30 ILE HD12 H 1 0.781 0.001 . 1 . . . A 30 ILE HD12 . 18557 1 213 . 1 1 30 30 ILE HD13 H 1 0.781 0.001 . 1 . . . A 30 ILE HD13 . 18557 1 214 . 1 1 30 30 ILE C C 13 174.050 0.000 . 1 . . . A 30 ILE C . 18557 1 215 . 1 1 30 30 ILE CA C 13 58.639 0.034 . 1 . . . A 30 ILE CA . 18557 1 216 . 1 1 30 30 ILE CB C 13 39.461 0.134 . 1 . . . A 30 ILE CB . 18557 1 217 . 1 1 30 30 ILE CG1 C 13 27.262 0.041 . 1 . . . A 30 ILE CG1 . 18557 1 218 . 1 1 30 30 ILE CG2 C 13 17.203 0.032 . 1 . . . A 30 ILE CG2 . 18557 1 219 . 1 1 30 30 ILE CD1 C 13 13.218 0.080 . 1 . . . A 30 ILE CD1 . 18557 1 220 . 1 1 30 30 ILE N N 15 122.738 0.083 . 1 . . . A 30 ILE N . 18557 1 221 . 1 1 31 31 PRO HA H 1 4.425 0.000 . 1 . . . A 31 PRO HA . 18557 1 222 . 1 1 31 31 PRO HB2 H 1 1.989 0.000 . 1 . . . A 31 PRO HB2 . 18557 1 223 . 1 1 31 31 PRO HB3 H 1 2.387 0.000 . 1 . . . A 31 PRO HB3 . 18557 1 224 . 1 1 31 31 PRO HG2 H 1 1.980 0.000 . 1 . . . A 31 PRO HG2 . 18557 1 225 . 1 1 31 31 PRO HG3 H 1 2.069 0.000 . 1 . . . A 31 PRO HG3 . 18557 1 226 . 1 1 31 31 PRO HD2 H 1 3.877 0.000 . 1 . . . A 31 PRO HD2 . 18557 1 227 . 1 1 31 31 PRO HD3 H 1 3.668 0.000 . 1 . . . A 31 PRO HD3 . 18557 1 228 . 1 1 31 31 PRO C C 13 177.390 0.000 . 1 . . . A 31 PRO C . 18557 1 229 . 1 1 31 31 PRO CA C 13 63.089 0.026 . 1 . . . A 31 PRO CA . 18557 1 230 . 1 1 31 31 PRO CB C 13 32.513 0.023 . 1 . . . A 31 PRO CB . 18557 1 231 . 1 1 31 31 PRO CG C 13 27.755 0.000 . 1 . . . A 31 PRO CG . 18557 1 232 . 1 1 31 31 PRO CD C 13 51.206 0.000 . 1 . . . A 31 PRO CD . 18557 1 233 . 1 1 32 32 GLU H H 1 8.702 0.009 . 1 . . . A 32 GLU H . 18557 1 234 . 1 1 32 32 GLU HA H 1 4.032 0.001 . 1 . . . A 32 GLU HA . 18557 1 235 . 1 1 32 32 GLU HB2 H 1 2.040 0.002 . 1 . . . A 32 GLU HB2 . 18557 1 236 . 1 1 32 32 GLU HB3 H 1 2.040 0.002 . 1 . . . A 32 GLU HB3 . 18557 1 237 . 1 1 32 32 GLU HG2 H 1 2.330 0.000 . 1 . . . A 32 GLU HG2 . 18557 1 238 . 1 1 32 32 GLU HG3 H 1 2.330 0.000 . 1 . . . A 32 GLU HG3 . 18557 1 239 . 1 1 32 32 GLU C C 13 177.501 0.000 . 1 . . . A 32 GLU C . 18557 1 240 . 1 1 32 32 GLU CA C 13 59.050 0.026 . 1 . . . A 32 GLU CA . 18557 1 241 . 1 1 32 32 GLU CB C 13 29.833 0.001 . 1 . . . A 32 GLU CB . 18557 1 242 . 1 1 32 32 GLU CG C 13 36.268 0.000 . 1 . . . A 32 GLU CG . 18557 1 243 . 1 1 32 32 GLU N N 15 122.145 0.063 . 1 . . . A 32 GLU N . 18557 1 244 . 1 1 33 33 ASP H H 1 8.552 0.015 . 1 . . . A 33 ASP H . 18557 1 245 . 1 1 33 33 ASP HA H 1 4.475 0.000 . 1 . . . A 33 ASP HA . 18557 1 246 . 1 1 33 33 ASP HB2 H 1 2.677 0.000 . 1 . . . A 33 ASP HB2 . 18557 1 247 . 1 1 33 33 ASP HB3 H 1 2.738 0.000 . 1 . . . A 33 ASP HB3 . 18557 1 248 . 1 1 33 33 ASP C C 13 177.857 0.004 . 1 . . . A 33 ASP C . 18557 1 249 . 1 1 33 33 ASP CA C 13 55.632 0.142 . 1 . . . A 33 ASP CA . 18557 1 250 . 1 1 33 33 ASP CB C 13 40.197 0.004 . 1 . . . A 33 ASP CB . 18557 1 251 . 1 1 33 33 ASP N N 15 117.867 0.068 . 1 . . . A 33 ASP N . 18557 1 252 . 1 1 34 34 GLU H H 1 7.960 0.003 . 1 . . . A 34 GLU H . 18557 1 253 . 1 1 34 34 GLU HA H 1 4.274 0.002 . 1 . . . A 34 GLU HA . 18557 1 254 . 1 1 34 34 GLU HB2 H 1 2.013 0.000 . 1 . . . A 34 GLU HB2 . 18557 1 255 . 1 1 34 34 GLU HB3 H 1 2.110 0.000 . 1 . . . A 34 GLU HB3 . 18557 1 256 . 1 1 34 34 GLU HG2 H 1 2.288 0.000 . 1 . . . A 34 GLU HG2 . 18557 1 257 . 1 1 34 34 GLU HG3 H 1 2.332 0.000 . 1 . . . A 34 GLU HG3 . 18557 1 258 . 1 1 34 34 GLU C C 13 177.910 0.067 . 1 . . . A 34 GLU C . 18557 1 259 . 1 1 34 34 GLU CA C 13 58.319 0.044 . 1 . . . A 34 GLU CA . 18557 1 260 . 1 1 34 34 GLU CB C 13 29.543 0.032 . 1 . . . A 34 GLU CB . 18557 1 261 . 1 1 34 34 GLU CG C 13 36.254 0.000 . 1 . . . A 34 GLU CG . 18557 1 262 . 1 1 34 34 GLU N N 15 121.510 0.026 . 1 . . . A 34 GLU N . 18557 1 263 . 1 1 35 35 LEU H H 1 8.173 0.008 . 1 . . . A 35 LEU H . 18557 1 264 . 1 1 35 35 LEU HA H 1 4.222 0.007 . 1 . . . A 35 LEU HA . 18557 1 265 . 1 1 35 35 LEU HB2 H 1 1.720 0.017 . 1 . . . A 35 LEU HB2 . 18557 1 266 . 1 1 35 35 LEU HB3 H 1 1.799 0.017 . 1 . . . A 35 LEU HB3 . 18557 1 267 . 1 1 35 35 LEU HG H 1 1.669 0.009 . 1 . . . A 35 LEU HG . 18557 1 268 . 1 1 35 35 LEU HD11 H 1 0.952 0.001 . 1 . . . A 35 LEU HD11 . 18557 1 269 . 1 1 35 35 LEU HD12 H 1 0.952 0.001 . 1 . . . A 35 LEU HD12 . 18557 1 270 . 1 1 35 35 LEU HD13 H 1 0.952 0.001 . 1 . . . A 35 LEU HD13 . 18557 1 271 . 1 1 35 35 LEU HD21 H 1 1.015 0.002 . 1 . . . A 35 LEU HD21 . 18557 1 272 . 1 1 35 35 LEU HD22 H 1 1.015 0.002 . 1 . . . A 35 LEU HD22 . 18557 1 273 . 1 1 35 35 LEU HD23 H 1 1.015 0.002 . 1 . . . A 35 LEU HD23 . 18557 1 274 . 1 1 35 35 LEU C C 13 178.655 0.006 . 1 . . . A 35 LEU C . 18557 1 275 . 1 1 35 35 LEU CA C 13 57.147 0.022 . 1 . . . A 35 LEU CA . 18557 1 276 . 1 1 35 35 LEU CB C 13 41.908 0.082 . 1 . . . A 35 LEU CB . 18557 1 277 . 1 1 35 35 LEU CG C 13 27.143 0.078 . 1 . . . A 35 LEU CG . 18557 1 278 . 1 1 35 35 LEU CD1 C 13 24.515 0.038 . 1 . . . A 35 LEU CD1 . 18557 1 279 . 1 1 35 35 LEU CD2 C 13 24.535 0.028 . 1 . . . A 35 LEU CD2 . 18557 1 280 . 1 1 35 35 LEU N N 15 120.088 0.055 . 1 . . . A 35 LEU N . 18557 1 281 . 1 1 36 36 GLU H H 1 8.078 0.003 . 1 . . . A 36 GLU H . 18557 1 282 . 1 1 36 36 GLU HA H 1 4.141 0.004 . 1 . . . A 36 GLU HA . 18557 1 283 . 1 1 36 36 GLU HB2 H 1 2.123 0.005 . 1 . . . A 36 GLU HB2 . 18557 1 284 . 1 1 36 36 GLU HB3 H 1 2.243 0.004 . 1 . . . A 36 GLU HB3 . 18557 1 285 . 1 1 36 36 GLU HG2 H 1 2.365 0.006 . 1 . . . A 36 GLU HG2 . 18557 1 286 . 1 1 36 36 GLU HG3 H 1 2.466 0.002 . 1 . . . A 36 GLU HG3 . 18557 1 287 . 1 1 36 36 GLU C C 13 178.810 0.000 . 1 . . . A 36 GLU C . 18557 1 288 . 1 1 36 36 GLU CA C 13 59.693 0.043 . 1 . . . A 36 GLU CA . 18557 1 289 . 1 1 36 36 GLU CB C 13 29.176 0.115 . 1 . . . A 36 GLU CB . 18557 1 290 . 1 1 36 36 GLU CG C 13 36.213 0.065 . 1 . . . A 36 GLU CG . 18557 1 291 . 1 1 36 36 GLU N N 15 119.002 0.026 . 1 . . . A 36 GLU N . 18557 1 292 . 1 1 37 37 GLU H H 1 7.987 0.009 . 1 . . . A 37 GLU H . 18557 1 293 . 1 1 37 37 GLU C C 13 179.250 0.018 . 1 . . . A 37 GLU C . 18557 1 294 . 1 1 37 37 GLU CA C 13 59.696 0.012 . 1 . . . A 37 GLU CA . 18557 1 295 . 1 1 37 37 GLU CB C 13 29.149 0.016 . 1 . . . A 37 GLU CB . 18557 1 296 . 1 1 37 37 GLU N N 15 118.559 0.023 . 1 . . . A 37 GLU N . 18557 1 297 . 1 1 38 38 ILE H H 1 8.036 0.002 . 1 . . . A 38 ILE H . 18557 1 298 . 1 1 38 38 ILE HA H 1 3.974 0.006 . 1 . . . A 38 ILE HA . 18557 1 299 . 1 1 38 38 ILE HB H 1 2.197 0.003 . 1 . . . A 38 ILE HB . 18557 1 300 . 1 1 38 38 ILE HG12 H 1 1.919 0.005 . 1 . . . A 38 ILE HG12 . 18557 1 301 . 1 1 38 38 ILE HG13 H 1 1.919 0.005 . 1 . . . A 38 ILE HG13 . 18557 1 302 . 1 1 38 38 ILE HG21 H 1 1.193 0.004 . 1 . . . A 38 ILE HG21 . 18557 1 303 . 1 1 38 38 ILE HG22 H 1 1.193 0.004 . 1 . . . A 38 ILE HG22 . 18557 1 304 . 1 1 38 38 ILE HG23 H 1 1.193 0.004 . 1 . . . A 38 ILE HG23 . 18557 1 305 . 1 1 38 38 ILE HD11 H 1 0.869 0.002 . 1 . . . A 38 ILE HD11 . 18557 1 306 . 1 1 38 38 ILE HD12 H 1 0.869 0.002 . 1 . . . A 38 ILE HD12 . 18557 1 307 . 1 1 38 38 ILE HD13 H 1 0.869 0.002 . 1 . . . A 38 ILE HD13 . 18557 1 308 . 1 1 38 38 ILE C C 13 178.265 0.003 . 1 . . . A 38 ILE C . 18557 1 309 . 1 1 38 38 ILE CA C 13 64.950 0.056 . 1 . . . A 38 ILE CA . 18557 1 310 . 1 1 38 38 ILE CB C 13 37.855 0.072 . 1 . . . A 38 ILE CB . 18557 1 311 . 1 1 38 38 ILE CG1 C 13 29.580 0.027 . 1 . . . A 38 ILE CG1 . 18557 1 312 . 1 1 38 38 ILE CG2 C 13 19.056 0.051 . 1 . . . A 38 ILE CG2 . 18557 1 313 . 1 1 38 38 ILE CD1 C 13 13.648 0.018 . 1 . . . A 38 ILE CD1 . 18557 1 314 . 1 1 38 38 ILE N N 15 120.209 0.035 . 1 . . . A 38 ILE N . 18557 1 315 . 1 1 39 39 ARG H H 1 8.655 0.017 . 1 . . . A 39 ARG H . 18557 1 316 . 1 1 39 39 ARG HA H 1 4.048 0.000 . 1 . . . A 39 ARG HA . 18557 1 317 . 1 1 39 39 ARG HB2 H 1 1.833 0.000 . 1 . . . A 39 ARG HB2 . 18557 1 318 . 1 1 39 39 ARG HB3 H 1 1.833 0.000 . 1 . . . A 39 ARG HB3 . 18557 1 319 . 1 1 39 39 ARG HG2 H 1 1.497 0.000 . 1 . . . A 39 ARG HG2 . 18557 1 320 . 1 1 39 39 ARG HG3 H 1 1.278 0.000 . 1 . . . A 39 ARG HG3 . 18557 1 321 . 1 1 39 39 ARG HD2 H 1 2.896 0.000 . 1 . . . A 39 ARG HD2 . 18557 1 322 . 1 1 39 39 ARG HD3 H 1 2.896 0.000 . 1 . . . A 39 ARG HD3 . 18557 1 323 . 1 1 39 39 ARG C C 13 178.955 0.002 . 1 . . . A 39 ARG C . 18557 1 324 . 1 1 39 39 ARG CA C 13 60.265 0.011 . 1 . . . A 39 ARG CA . 18557 1 325 . 1 1 39 39 ARG CB C 13 29.858 0.016 . 1 . . . A 39 ARG CB . 18557 1 326 . 1 1 39 39 ARG CG C 13 28.238 0.000 . 1 . . . A 39 ARG CG . 18557 1 327 . 1 1 39 39 ARG CD C 13 43.024 0.000 . 1 . . . A 39 ARG CD . 18557 1 328 . 1 1 39 39 ARG N N 15 121.871 0.117 . 1 . . . A 39 ARG N . 18557 1 329 . 1 1 40 40 GLU H H 1 8.102 0.003 . 1 . . . A 40 GLU H . 18557 1 330 . 1 1 40 40 GLU C C 13 179.089 0.015 . 1 . . . A 40 GLU C . 18557 1 331 . 1 1 40 40 GLU CA C 13 59.137 0.052 . 1 . . . A 40 GLU CA . 18557 1 332 . 1 1 40 40 GLU CB C 13 29.006 0.038 . 1 . . . A 40 GLU CB . 18557 1 333 . 1 1 40 40 GLU N N 15 118.410 0.054 . 1 . . . A 40 GLU N . 18557 1 334 . 1 1 41 41 ALA H H 1 7.923 0.016 . 1 . . . A 41 ALA H . 18557 1 335 . 1 1 41 41 ALA HA H 1 4.125 0.006 . 1 . . . A 41 ALA HA . 18557 1 336 . 1 1 41 41 ALA HB1 H 1 1.744 0.001 . 1 . . . A 41 ALA HB1 . 18557 1 337 . 1 1 41 41 ALA HB2 H 1 1.744 0.001 . 1 . . . A 41 ALA HB2 . 18557 1 338 . 1 1 41 41 ALA HB3 H 1 1.744 0.001 . 1 . . . A 41 ALA HB3 . 18557 1 339 . 1 1 41 41 ALA C C 13 178.587 0.004 . 1 . . . A 41 ALA C . 18557 1 340 . 1 1 41 41 ALA CA C 13 55.184 0.037 . 1 . . . A 41 ALA CA . 18557 1 341 . 1 1 41 41 ALA CB C 13 18.110 0.021 . 1 . . . A 41 ALA CB . 18557 1 342 . 1 1 41 41 ALA N N 15 121.651 0.078 . 1 . . . A 41 ALA N . 18557 1 343 . 1 1 42 42 PHE H H 1 8.378 0.009 . 1 . . . A 42 PHE H . 18557 1 344 . 1 1 42 42 PHE HA H 1 3.303 0.002 . 1 . . . A 42 PHE HA . 18557 1 345 . 1 1 42 42 PHE HB2 H 1 2.893 0.000 . 1 . . . A 42 PHE HB2 . 18557 1 346 . 1 1 42 42 PHE HB3 H 1 3.257 0.002 . 1 . . . A 42 PHE HB3 . 18557 1 347 . 1 1 42 42 PHE HD1 H 1 7.182 0.000 . 3 . . . A 42 PHE HD1 . 18557 1 348 . 1 1 42 42 PHE HD2 H 1 7.182 0.000 . 3 . . . A 42 PHE HD2 . 18557 1 349 . 1 1 42 42 PHE HE1 H 1 7.052 0.000 . 3 . . . A 42 PHE HE1 . 18557 1 350 . 1 1 42 42 PHE HE2 H 1 7.052 0.000 . 3 . . . A 42 PHE HE2 . 18557 1 351 . 1 1 42 42 PHE HZ H 1 7.137 0.000 . 1 . . . A 42 PHE HZ . 18557 1 352 . 1 1 42 42 PHE C C 13 177.197 0.001 . 1 . . . A 42 PHE C . 18557 1 353 . 1 1 42 42 PHE CA C 13 62.185 0.063 . 1 . . . A 42 PHE CA . 18557 1 354 . 1 1 42 42 PHE CB C 13 39.546 0.042 . 1 . . . A 42 PHE CB . 18557 1 355 . 1 1 42 42 PHE CD1 C 13 131.631 0.000 . 3 . . . A 42 PHE CD1 . 18557 1 356 . 1 1 42 42 PHE CD2 C 13 131.631 0.000 . 3 . . . A 42 PHE CD2 . 18557 1 357 . 1 1 42 42 PHE CE1 C 13 128.854 0.000 . 3 . . . A 42 PHE CE1 . 18557 1 358 . 1 1 42 42 PHE CE2 C 13 128.854 0.000 . 3 . . . A 42 PHE CE2 . 18557 1 359 . 1 1 42 42 PHE CZ C 13 130.329 0.000 . 1 . . . A 42 PHE CZ . 18557 1 360 . 1 1 42 42 PHE N N 15 118.389 0.050 . 1 . . . A 42 PHE N . 18557 1 361 . 1 1 43 43 LYS H H 1 7.847 0.008 . 1 . . . A 43 LYS H . 18557 1 362 . 1 1 43 43 LYS HA H 1 3.824 0.004 . 1 . . . A 43 LYS HA . 18557 1 363 . 1 1 43 43 LYS HB2 H 1 1.896 0.005 . 1 . . . A 43 LYS HB2 . 18557 1 364 . 1 1 43 43 LYS HB3 H 1 1.898 0.003 . 1 . . . A 43 LYS HB3 . 18557 1 365 . 1 1 43 43 LYS HG2 H 1 1.526 0.007 . 1 . . . A 43 LYS HG2 . 18557 1 366 . 1 1 43 43 LYS HG3 H 1 1.765 0.005 . 1 . . . A 43 LYS HG3 . 18557 1 367 . 1 1 43 43 LYS HD2 H 1 1.655 0.004 . 1 . . . A 43 LYS HD2 . 18557 1 368 . 1 1 43 43 LYS HD3 H 1 1.655 0.004 . 1 . . . A 43 LYS HD3 . 18557 1 369 . 1 1 43 43 LYS HE2 H 1 2.870 0.010 . 1 . . . A 43 LYS HE2 . 18557 1 370 . 1 1 43 43 LYS HE3 H 1 2.902 0.003 . 1 . . . A 43 LYS HE3 . 18557 1 371 . 1 1 43 43 LYS C C 13 177.831 0.013 . 1 . . . A 43 LYS C . 18557 1 372 . 1 1 43 43 LYS CA C 13 59.288 0.059 . 1 . . . A 43 LYS CA . 18557 1 373 . 1 1 43 43 LYS CB C 13 32.673 0.098 . 1 . . . A 43 LYS CB . 18557 1 374 . 1 1 43 43 LYS CG C 13 25.662 0.074 . 1 . . . A 43 LYS CG . 18557 1 375 . 1 1 43 43 LYS CD C 13 29.705 0.018 . 1 . . . A 43 LYS CD . 18557 1 376 . 1 1 43 43 LYS CE C 13 42.252 0.000 . 1 . . . A 43 LYS CE . 18557 1 377 . 1 1 43 43 LYS N N 15 116.288 0.057 . 1 . . . A 43 LYS N . 18557 1 378 . 1 1 44 44 VAL H H 1 7.314 0.006 . 1 . . . A 44 VAL H . 18557 1 379 . 1 1 44 44 VAL HA H 1 3.441 0.003 . 1 . . . A 44 VAL HA . 18557 1 380 . 1 1 44 44 VAL HB H 1 2.049 0.004 . 1 . . . A 44 VAL HB . 18557 1 381 . 1 1 44 44 VAL HG11 H 1 0.528 0.001 . 1 . . . A 44 VAL HG11 . 18557 1 382 . 1 1 44 44 VAL HG12 H 1 0.528 0.001 . 1 . . . A 44 VAL HG12 . 18557 1 383 . 1 1 44 44 VAL HG13 H 1 0.528 0.001 . 1 . . . A 44 VAL HG13 . 18557 1 384 . 1 1 44 44 VAL HG21 H 1 0.986 0.003 . 1 . . . A 44 VAL HG21 . 18557 1 385 . 1 1 44 44 VAL HG22 H 1 0.986 0.003 . 1 . . . A 44 VAL HG22 . 18557 1 386 . 1 1 44 44 VAL HG23 H 1 0.986 0.003 . 1 . . . A 44 VAL HG23 . 18557 1 387 . 1 1 44 44 VAL C C 13 177.091 0.000 . 1 . . . A 44 VAL C . 18557 1 388 . 1 1 44 44 VAL CA C 13 65.616 0.056 . 1 . . . A 44 VAL CA . 18557 1 389 . 1 1 44 44 VAL CB C 13 31.123 0.065 . 1 . . . A 44 VAL CB . 18557 1 390 . 1 1 44 44 VAL CG1 C 13 20.928 0.008 . 1 . . . A 44 VAL CG1 . 18557 1 391 . 1 1 44 44 VAL CG2 C 13 22.818 0.022 . 1 . . . A 44 VAL CG2 . 18557 1 392 . 1 1 44 44 VAL N N 15 117.688 0.056 . 1 . . . A 44 VAL N . 18557 1 393 . 1 1 45 45 PHE H H 1 7.002 0.008 . 1 . . . A 45 PHE H . 18557 1 394 . 1 1 45 45 PHE HA H 1 4.128 0.003 . 1 . . . A 45 PHE HA . 18557 1 395 . 1 1 45 45 PHE HB2 H 1 2.573 0.003 . 1 . . . A 45 PHE HB2 . 18557 1 396 . 1 1 45 45 PHE HB3 H 1 2.666 0.007 . 1 . . . A 45 PHE HB3 . 18557 1 397 . 1 1 45 45 PHE HD1 H 1 6.534 0.000 . 3 . . . A 45 PHE HD1 . 18557 1 398 . 1 1 45 45 PHE HD2 H 1 6.486 0.000 . 3 . . . A 45 PHE HD2 . 18557 1 399 . 1 1 45 45 PHE HE1 H 1 6.969 0.000 . 3 . . . A 45 PHE HE1 . 18557 1 400 . 1 1 45 45 PHE HE2 H 1 6.941 0.000 . 3 . . . A 45 PHE HE2 . 18557 1 401 . 1 1 45 45 PHE C C 13 176.994 0.000 . 1 . . . A 45 PHE C . 18557 1 402 . 1 1 45 45 PHE CA C 13 59.599 0.036 . 1 . . . A 45 PHE CA . 18557 1 403 . 1 1 45 45 PHE CB C 13 40.661 0.045 . 1 . . . A 45 PHE CB . 18557 1 404 . 1 1 45 45 PHE CE1 C 13 131.410 0.000 . 3 . . . A 45 PHE CE1 . 18557 1 405 . 1 1 45 45 PHE CE2 C 13 131.410 0.000 . 3 . . . A 45 PHE CE2 . 18557 1 406 . 1 1 45 45 PHE N N 15 115.636 0.057 . 1 . . . A 45 PHE N . 18557 1 407 . 1 1 46 46 ASP H H 1 7.896 0.004 . 1 . . . A 46 ASP H . 18557 1 408 . 1 1 46 46 ASP HA H 1 4.527 0.001 . 1 . . . A 46 ASP HA . 18557 1 409 . 1 1 46 46 ASP HB2 H 1 1.416 0.000 . 1 . . . A 46 ASP HB2 . 18557 1 410 . 1 1 46 46 ASP HB3 H 1 2.283 0.002 . 1 . . . A 46 ASP HB3 . 18557 1 411 . 1 1 46 46 ASP C C 13 177.090 0.000 . 1 . . . A 46 ASP C . 18557 1 412 . 1 1 46 46 ASP CA C 13 52.276 0.049 . 1 . . . A 46 ASP CA . 18557 1 413 . 1 1 46 46 ASP CB C 13 38.772 0.026 . 1 . . . A 46 ASP CB . 18557 1 414 . 1 1 46 46 ASP N N 15 118.004 0.050 . 1 . . . A 46 ASP N . 18557 1 415 . 1 1 47 47 ARG H H 1 7.464 0.008 . 1 . . . A 47 ARG H . 18557 1 416 . 1 1 47 47 ARG HA H 1 3.918 0.002 . 1 . . . A 47 ARG HA . 18557 1 417 . 1 1 47 47 ARG HB2 H 1 1.842 0.026 . 1 . . . A 47 ARG HB2 . 18557 1 418 . 1 1 47 47 ARG HB3 H 1 1.964 0.020 . 1 . . . A 47 ARG HB3 . 18557 1 419 . 1 1 47 47 ARG HG2 H 1 1.706 0.002 . 1 . . . A 47 ARG HG2 . 18557 1 420 . 1 1 47 47 ARG HG3 H 1 1.795 0.003 . 1 . . . A 47 ARG HG3 . 18557 1 421 . 1 1 47 47 ARG HD2 H 1 3.252 0.003 . 1 . . . A 47 ARG HD2 . 18557 1 422 . 1 1 47 47 ARG HD3 H 1 3.260 0.006 . 1 . . . A 47 ARG HD3 . 18557 1 423 . 1 1 47 47 ARG C C 13 177.991 0.001 . 1 . . . A 47 ARG C . 18557 1 424 . 1 1 47 47 ARG CA C 13 58.738 0.043 . 1 . . . A 47 ARG CA . 18557 1 425 . 1 1 47 47 ARG CB C 13 30.379 0.023 . 1 . . . A 47 ARG CB . 18557 1 426 . 1 1 47 47 ARG CG C 13 27.224 0.055 . 1 . . . A 47 ARG CG . 18557 1 427 . 1 1 47 47 ARG CD C 13 42.935 0.052 . 1 . . . A 47 ARG CD . 18557 1 428 . 1 1 47 47 ARG N N 15 124.447 0.035 . 1 . . . A 47 ARG N . 18557 1 429 . 1 1 48 48 ASP H H 1 8.244 0.005 . 1 . . . A 48 ASP H . 18557 1 430 . 1 1 48 48 ASP HA H 1 4.590 0.001 . 1 . . . A 48 ASP HA . 18557 1 431 . 1 1 48 48 ASP HB2 H 1 2.666 0.005 . 1 . . . A 48 ASP HB2 . 18557 1 432 . 1 1 48 48 ASP HB3 H 1 3.104 0.002 . 1 . . . A 48 ASP HB3 . 18557 1 433 . 1 1 48 48 ASP C C 13 177.802 0.000 . 1 . . . A 48 ASP C . 18557 1 434 . 1 1 48 48 ASP CA C 13 53.027 0.040 . 1 . . . A 48 ASP CA . 18557 1 435 . 1 1 48 48 ASP CB C 13 39.677 0.033 . 1 . . . A 48 ASP CB . 18557 1 436 . 1 1 48 48 ASP N N 15 114.297 0.042 . 1 . . . A 48 ASP N . 18557 1 437 . 1 1 49 49 GLY H H 1 7.726 0.010 . 1 . . . A 49 GLY H . 18557 1 438 . 1 1 49 49 GLY HA2 H 1 3.849 0.000 . 1 . . . A 49 GLY HA2 . 18557 1 439 . 1 1 49 49 GLY HA3 H 1 3.849 0.000 . 1 . . . A 49 GLY HA3 . 18557 1 440 . 1 1 49 49 GLY C C 13 175.103 0.005 . 1 . . . A 49 GLY C . 18557 1 441 . 1 1 49 49 GLY CA C 13 47.184 0.026 . 1 . . . A 49 GLY CA . 18557 1 442 . 1 1 49 49 GLY N N 15 109.148 0.106 . 1 . . . A 49 GLY N . 18557 1 443 . 1 1 50 50 ASN H H 1 8.355 0.004 . 1 . . . A 50 ASN H . 18557 1 444 . 1 1 50 50 ASN HA H 1 4.638 0.003 . 1 . . . A 50 ASN HA . 18557 1 445 . 1 1 50 50 ASN HB2 H 1 2.686 0.002 . 1 . . . A 50 ASN HB2 . 18557 1 446 . 1 1 50 50 ASN HB3 H 1 3.434 0.000 . 1 . . . A 50 ASN HB3 . 18557 1 447 . 1 1 50 50 ASN C C 13 175.950 0.002 . 1 . . . A 50 ASN C . 18557 1 448 . 1 1 50 50 ASN CA C 13 52.757 0.063 . 1 . . . A 50 ASN CA . 18557 1 449 . 1 1 50 50 ASN CB C 13 38.201 0.049 . 1 . . . A 50 ASN CB . 18557 1 450 . 1 1 50 50 ASN N N 15 119.674 0.042 . 1 . . . A 50 ASN N . 18557 1 451 . 1 1 51 51 GLY H H 1 10.604 0.004 . 1 . . . A 51 GLY H . 18557 1 452 . 1 1 51 51 GLY HA2 H 1 3.420 0.003 . 1 . . . A 51 GLY HA2 . 18557 1 453 . 1 1 51 51 GLY HA3 H 1 4.036 0.005 . 1 . . . A 51 GLY HA3 . 18557 1 454 . 1 1 51 51 GLY C C 13 172.492 0.007 . 1 . . . A 51 GLY C . 18557 1 455 . 1 1 51 51 GLY CA C 13 45.034 0.073 . 1 . . . A 51 GLY CA . 18557 1 456 . 1 1 51 51 GLY N N 15 112.680 0.055 . 1 . . . A 51 GLY N . 18557 1 457 . 1 1 52 52 PHE H H 1 7.650 0.004 . 1 . . . A 52 PHE H . 18557 1 458 . 1 1 52 52 PHE HA H 1 5.113 0.004 . 1 . . . A 52 PHE HA . 18557 1 459 . 1 1 52 52 PHE HB2 H 1 2.611 0.001 . 1 . . . A 52 PHE HB2 . 18557 1 460 . 1 1 52 52 PHE HB3 H 1 2.611 0.001 . 1 . . . A 52 PHE HB3 . 18557 1 461 . 1 1 52 52 PHE HD1 H 1 6.958 0.000 . 3 . . . A 52 PHE HD1 . 18557 1 462 . 1 1 52 52 PHE HD2 H 1 6.965 0.000 . 3 . . . A 52 PHE HD2 . 18557 1 463 . 1 1 52 52 PHE HE1 H 1 7.453 0.000 . 3 . . . A 52 PHE HE1 . 18557 1 464 . 1 1 52 52 PHE HE2 H 1 7.453 0.000 . 3 . . . A 52 PHE HE2 . 18557 1 465 . 1 1 52 52 PHE HZ H 1 7.349 0.000 . 1 . . . A 52 PHE HZ . 18557 1 466 . 1 1 52 52 PHE C C 13 174.798 0.014 . 1 . . . A 52 PHE C . 18557 1 467 . 1 1 52 52 PHE CA C 13 56.069 0.041 . 1 . . . A 52 PHE CA . 18557 1 468 . 1 1 52 52 PHE CB C 13 43.748 0.030 . 1 . . . A 52 PHE CB . 18557 1 469 . 1 1 52 52 PHE CD1 C 13 132.287 0.000 . 3 . . . A 52 PHE CD1 . 18557 1 470 . 1 1 52 52 PHE CD2 C 13 132.288 0.000 . 3 . . . A 52 PHE CD2 . 18557 1 471 . 1 1 52 52 PHE CE1 C 13 131.220 0.000 . 3 . . . A 52 PHE CE1 . 18557 1 472 . 1 1 52 52 PHE CE2 C 13 131.220 0.000 . 3 . . . A 52 PHE CE2 . 18557 1 473 . 1 1 52 52 PHE CZ C 13 129.682 0.000 . 1 . . . A 52 PHE CZ . 18557 1 474 . 1 1 52 52 PHE N N 15 116.085 0.040 . 1 . . . A 52 PHE N . 18557 1 475 . 1 1 53 53 ILE H H 1 10.246 0.012 . 1 . . . A 53 ILE H . 18557 1 476 . 1 1 53 53 ILE HA H 1 4.678 0.003 . 1 . . . A 53 ILE HA . 18557 1 477 . 1 1 53 53 ILE HB H 1 1.835 0.004 . 1 . . . A 53 ILE HB . 18557 1 478 . 1 1 53 53 ILE HG12 H 1 1.218 0.004 . 1 . . . A 53 ILE HG12 . 18557 1 479 . 1 1 53 53 ILE HG13 H 1 0.133 0.000 . 1 . . . A 53 ILE HG13 . 18557 1 480 . 1 1 53 53 ILE HG21 H 1 0.871 0.005 . 1 . . . A 53 ILE HG21 . 18557 1 481 . 1 1 53 53 ILE HG22 H 1 0.871 0.005 . 1 . . . A 53 ILE HG22 . 18557 1 482 . 1 1 53 53 ILE HG23 H 1 0.871 0.005 . 1 . . . A 53 ILE HG23 . 18557 1 483 . 1 1 53 53 ILE HD11 H 1 0.271 0.002 . 1 . . . A 53 ILE HD11 . 18557 1 484 . 1 1 53 53 ILE HD12 H 1 0.271 0.002 . 1 . . . A 53 ILE HD12 . 18557 1 485 . 1 1 53 53 ILE HD13 H 1 0.271 0.002 . 1 . . . A 53 ILE HD13 . 18557 1 486 . 1 1 53 53 ILE C C 13 175.631 0.015 . 1 . . . A 53 ILE C . 18557 1 487 . 1 1 53 53 ILE CA C 13 60.999 0.079 . 1 . . . A 53 ILE CA . 18557 1 488 . 1 1 53 53 ILE CB C 13 38.741 0.094 . 1 . . . A 53 ILE CB . 18557 1 489 . 1 1 53 53 ILE CG1 C 13 26.829 0.000 . 1 . . . A 53 ILE CG1 . 18557 1 490 . 1 1 53 53 ILE CG2 C 13 17.424 0.064 . 1 . . . A 53 ILE CG2 . 18557 1 491 . 1 1 53 53 ILE CD1 C 13 15.128 0.049 . 1 . . . A 53 ILE CD1 . 18557 1 492 . 1 1 53 53 ILE N N 15 127.451 0.046 . 1 . . . A 53 ILE N . 18557 1 493 . 1 1 54 54 SER H H 1 8.997 0.006 . 1 . . . A 54 SER H . 18557 1 494 . 1 1 54 54 SER HA H 1 4.874 0.006 . 1 . . . A 54 SER HA . 18557 1 495 . 1 1 54 54 SER HB2 H 1 4.006 0.003 . 1 . . . A 54 SER HB2 . 18557 1 496 . 1 1 54 54 SER HB3 H 1 4.470 0.000 . 1 . . . A 54 SER HB3 . 18557 1 497 . 1 1 54 54 SER C C 13 175.242 0.013 . 1 . . . A 54 SER C . 18557 1 498 . 1 1 54 54 SER CA C 13 56.035 0.035 . 1 . . . A 54 SER CA . 18557 1 499 . 1 1 54 54 SER CB C 13 66.800 0.043 . 1 . . . A 54 SER CB . 18557 1 500 . 1 1 54 54 SER N N 15 123.910 0.074 . 1 . . . A 54 SER N . 18557 1 501 . 1 1 55 55 LYS H H 1 9.411 0.003 . 1 . . . A 55 LYS H . 18557 1 502 . 1 1 55 55 LYS HA H 1 3.833 0.003 . 1 . . . A 55 LYS HA . 18557 1 503 . 1 1 55 55 LYS HB2 H 1 1.872 0.005 . 1 . . . A 55 LYS HB2 . 18557 1 504 . 1 1 55 55 LYS HB3 H 1 1.916 0.011 . 1 . . . A 55 LYS HB3 . 18557 1 505 . 1 1 55 55 LYS HG2 H 1 1.389 0.001 . 1 . . . A 55 LYS HG2 . 18557 1 506 . 1 1 55 55 LYS HG3 H 1 1.425 0.003 . 1 . . . A 55 LYS HG3 . 18557 1 507 . 1 1 55 55 LYS HD2 H 1 1.757 0.003 . 1 . . . A 55 LYS HD2 . 18557 1 508 . 1 1 55 55 LYS HD3 H 1 1.757 0.003 . 1 . . . A 55 LYS HD3 . 18557 1 509 . 1 1 55 55 LYS HE2 H 1 2.956 0.003 . 1 . . . A 55 LYS HE2 . 18557 1 510 . 1 1 55 55 LYS HE3 H 1 2.956 0.003 . 1 . . . A 55 LYS HE3 . 18557 1 511 . 1 1 55 55 LYS C C 13 178.337 0.003 . 1 . . . A 55 LYS C . 18557 1 512 . 1 1 55 55 LYS CA C 13 61.105 0.051 . 1 . . . A 55 LYS CA . 18557 1 513 . 1 1 55 55 LYS CB C 13 32.230 0.004 . 1 . . . A 55 LYS CB . 18557 1 514 . 1 1 55 55 LYS CG C 13 25.796 0.000 . 1 . . . A 55 LYS CG . 18557 1 515 . 1 1 55 55 LYS CD C 13 28.953 0.000 . 1 . . . A 55 LYS CD . 18557 1 516 . 1 1 55 55 LYS CE C 13 41.882 0.035 . 1 . . . A 55 LYS CE . 18557 1 517 . 1 1 55 55 LYS N N 15 121.549 0.052 . 1 . . . A 55 LYS N . 18557 1 518 . 1 1 56 56 GLN H H 1 8.380 0.003 . 1 . . . A 56 GLN H . 18557 1 519 . 1 1 56 56 GLN HA H 1 4.115 0.001 . 1 . . . A 56 GLN HA . 18557 1 520 . 1 1 56 56 GLN HB2 H 1 2.022 0.015 . 1 . . . A 56 GLN HB2 . 18557 1 521 . 1 1 56 56 GLN HB3 H 1 2.109 0.034 . 1 . . . A 56 GLN HB3 . 18557 1 522 . 1 1 56 56 GLN HG2 H 1 2.455 0.003 . 1 . . . A 56 GLN HG2 . 18557 1 523 . 1 1 56 56 GLN HG3 H 1 2.455 0.003 . 1 . . . A 56 GLN HG3 . 18557 1 524 . 1 1 56 56 GLN HE21 H 1 7.600 0.000 . 1 . . . A 56 GLN HE21 . 18557 1 525 . 1 1 56 56 GLN HE22 H 1 6.696 0.000 . 1 . . . A 56 GLN HE22 . 18557 1 526 . 1 1 56 56 GLN C C 13 179.732 0.009 . 1 . . . A 56 GLN C . 18557 1 527 . 1 1 56 56 GLN CA C 13 59.340 0.032 . 1 . . . A 56 GLN CA . 18557 1 528 . 1 1 56 56 GLN CB C 13 28.183 0.095 . 1 . . . A 56 GLN CB . 18557 1 529 . 1 1 56 56 GLN CG C 13 34.223 0.005 . 1 . . . A 56 GLN CG . 18557 1 530 . 1 1 56 56 GLN N N 15 117.231 0.030 . 1 . . . A 56 GLN N . 18557 1 531 . 1 1 56 56 GLN NE2 N 15 111.385 0.000 . 1 . . . A 56 GLN NE2 . 18557 1 532 . 1 1 57 57 GLU H H 1 8.036 0.004 . 1 . . . A 57 GLU H . 18557 1 533 . 1 1 57 57 GLU HA H 1 3.995 0.000 . 1 . . . A 57 GLU HA . 18557 1 534 . 1 1 57 57 GLU HB2 H 1 2.556 0.000 . 1 . . . A 57 GLU HB2 . 18557 1 535 . 1 1 57 57 GLU HB3 H 1 2.556 0.000 . 1 . . . A 57 GLU HB3 . 18557 1 536 . 1 1 57 57 GLU HG2 H 1 2.325 0.000 . 1 . . . A 57 GLU HG2 . 18557 1 537 . 1 1 57 57 GLU HG3 H 1 2.325 0.000 . 1 . . . A 57 GLU HG3 . 18557 1 538 . 1 1 57 57 GLU C C 13 179.709 0.000 . 1 . . . A 57 GLU C . 18557 1 539 . 1 1 57 57 GLU CA C 13 59.311 0.035 . 1 . . . A 57 GLU CA . 18557 1 540 . 1 1 57 57 GLU CB C 13 29.294 0.007 . 1 . . . A 57 GLU CB . 18557 1 541 . 1 1 57 57 GLU CG C 13 37.925 0.000 . 1 . . . A 57 GLU CG . 18557 1 542 . 1 1 57 57 GLU N N 15 121.718 0.041 . 1 . . . A 57 GLU N . 18557 1 543 . 1 1 58 58 LEU H H 1 8.803 0.006 . 1 . . . A 58 LEU H . 18557 1 544 . 1 1 58 58 LEU HA H 1 4.099 0.003 . 1 . . . A 58 LEU HA . 18557 1 545 . 1 1 58 58 LEU HB2 H 1 1.538 0.005 . 1 . . . A 58 LEU HB2 . 18557 1 546 . 1 1 58 58 LEU HB3 H 1 2.029 0.003 . 1 . . . A 58 LEU HB3 . 18557 1 547 . 1 1 58 58 LEU HG H 1 1.593 0.001 . 1 . . . A 58 LEU HG . 18557 1 548 . 1 1 58 58 LEU HD11 H 1 0.835 0.003 . 1 . . . A 58 LEU HD11 . 18557 1 549 . 1 1 58 58 LEU HD12 H 1 0.835 0.003 . 1 . . . A 58 LEU HD12 . 18557 1 550 . 1 1 58 58 LEU HD13 H 1 0.835 0.003 . 1 . . . A 58 LEU HD13 . 18557 1 551 . 1 1 58 58 LEU HD21 H 1 0.862 0.007 . 1 . . . A 58 LEU HD21 . 18557 1 552 . 1 1 58 58 LEU HD22 H 1 0.862 0.007 . 1 . . . A 58 LEU HD22 . 18557 1 553 . 1 1 58 58 LEU HD23 H 1 0.862 0.007 . 1 . . . A 58 LEU HD23 . 18557 1 554 . 1 1 58 58 LEU C C 13 178.793 0.017 . 1 . . . A 58 LEU C . 18557 1 555 . 1 1 58 58 LEU CA C 13 58.548 0.093 . 1 . . . A 58 LEU CA . 18557 1 556 . 1 1 58 58 LEU CB C 13 41.715 0.047 . 1 . . . A 58 LEU CB . 18557 1 557 . 1 1 58 58 LEU CD1 C 13 26.346 0.059 . 1 . . . A 58 LEU CD1 . 18557 1 558 . 1 1 58 58 LEU CD2 C 13 23.798 0.058 . 1 . . . A 58 LEU CD2 . 18557 1 559 . 1 1 58 58 LEU N N 15 122.066 0.044 . 1 . . . A 58 LEU N . 18557 1 560 . 1 1 59 59 GLY H H 1 8.429 0.009 . 1 . . . A 59 GLY H . 18557 1 561 . 1 1 59 59 GLY HA2 H 1 4.040 0.004 . 1 . . . A 59 GLY HA2 . 18557 1 562 . 1 1 59 59 GLY HA3 H 1 3.657 0.005 . 1 . . . A 59 GLY HA3 . 18557 1 563 . 1 1 59 59 GLY C C 13 175.604 0.009 . 1 . . . A 59 GLY C . 18557 1 564 . 1 1 59 59 GLY CA C 13 48.466 0.044 . 1 . . . A 59 GLY CA . 18557 1 565 . 1 1 59 59 GLY N N 15 105.377 0.044 . 1 . . . A 59 GLY N . 18557 1 566 . 1 1 60 60 THR H H 1 8.209 0.002 . 1 . . . A 60 THR H . 18557 1 567 . 1 1 60 60 THR HA H 1 3.897 0.003 . 1 . . . A 60 THR HA . 18557 1 568 . 1 1 60 60 THR HB H 1 4.228 0.004 . 1 . . . A 60 THR HB . 18557 1 569 . 1 1 60 60 THR HG21 H 1 1.235 0.003 . 1 . . . A 60 THR HG21 . 18557 1 570 . 1 1 60 60 THR HG22 H 1 1.235 0.003 . 1 . . . A 60 THR HG22 . 18557 1 571 . 1 1 60 60 THR HG23 H 1 1.235 0.003 . 1 . . . A 60 THR HG23 . 18557 1 572 . 1 1 60 60 THR C C 13 176.850 0.000 . 1 . . . A 60 THR C . 18557 1 573 . 1 1 60 60 THR CA C 13 66.929 0.076 . 1 . . . A 60 THR CA . 18557 1 574 . 1 1 60 60 THR CB C 13 68.832 0.043 . 1 . . . A 60 THR CB . 18557 1 575 . 1 1 60 60 THR CG2 C 13 21.644 0.022 . 1 . . . A 60 THR CG2 . 18557 1 576 . 1 1 60 60 THR N N 15 118.926 0.042 . 1 . . . A 60 THR N . 18557 1 577 . 1 1 61 61 ALA H H 1 8.441 0.010 . 1 . . . A 61 ALA H . 18557 1 578 . 1 1 61 61 ALA HA H 1 3.987 0.002 . 1 . . . A 61 ALA HA . 18557 1 579 . 1 1 61 61 ALA HB1 H 1 1.266 0.003 . 1 . . . A 61 ALA HB1 . 18557 1 580 . 1 1 61 61 ALA HB2 H 1 1.266 0.003 . 1 . . . A 61 ALA HB2 . 18557 1 581 . 1 1 61 61 ALA HB3 H 1 1.266 0.003 . 1 . . . A 61 ALA HB3 . 18557 1 582 . 1 1 61 61 ALA C C 13 180.280 0.003 . 1 . . . A 61 ALA C . 18557 1 583 . 1 1 61 61 ALA CA C 13 55.316 0.042 . 1 . . . A 61 ALA CA . 18557 1 584 . 1 1 61 61 ALA CB C 13 18.893 0.019 . 1 . . . A 61 ALA CB . 18557 1 585 . 1 1 61 61 ALA N N 15 124.853 0.042 . 1 . . . A 61 ALA N . 18557 1 586 . 1 1 62 62 MET H H 1 8.495 0.009 . 1 . . . A 62 MET H . 18557 1 587 . 1 1 62 62 MET HA H 1 4.035 0.003 . 1 . . . A 62 MET HA . 18557 1 588 . 1 1 62 62 MET HB2 H 1 2.169 0.017 . 1 . . . A 62 MET HB2 . 18557 1 589 . 1 1 62 62 MET HB3 H 1 2.225 0.009 . 1 . . . A 62 MET HB3 . 18557 1 590 . 1 1 62 62 MET HG2 H 1 2.401 0.003 . 1 . . . A 62 MET HG2 . 18557 1 591 . 1 1 62 62 MET HG3 H 1 2.879 0.005 . 1 . . . A 62 MET HG3 . 18557 1 592 . 1 1 62 62 MET C C 13 178.687 0.007 . 1 . . . A 62 MET C . 18557 1 593 . 1 1 62 62 MET CA C 13 60.307 0.025 . 1 . . . A 62 MET CA . 18557 1 594 . 1 1 62 62 MET CB C 13 32.448 0.061 . 1 . . . A 62 MET CB . 18557 1 595 . 1 1 62 62 MET CG C 13 34.173 0.089 . 1 . . . A 62 MET CG . 18557 1 596 . 1 1 62 62 MET N N 15 115.771 0.070 . 1 . . . A 62 MET N . 18557 1 597 . 1 1 63 63 ARG H H 1 8.289 0.002 . 1 . . . A 63 ARG H . 18557 1 598 . 1 1 63 63 ARG HA H 1 4.659 0.000 . 1 . . . A 63 ARG HA . 18557 1 599 . 1 1 63 63 ARG HB2 H 1 1.962 0.000 . 1 . . . A 63 ARG HB2 . 18557 1 600 . 1 1 63 63 ARG HB3 H 1 1.962 0.000 . 1 . . . A 63 ARG HB3 . 18557 1 601 . 1 1 63 63 ARG HG2 H 1 1.938 0.000 . 1 . . . A 63 ARG HG2 . 18557 1 602 . 1 1 63 63 ARG HG3 H 1 1.848 0.000 . 1 . . . A 63 ARG HG3 . 18557 1 603 . 1 1 63 63 ARG HD2 H 1 3.306 0.000 . 1 . . . A 63 ARG HD2 . 18557 1 604 . 1 1 63 63 ARG HD3 H 1 3.182 0.000 . 1 . . . A 63 ARG HD3 . 18557 1 605 . 1 1 63 63 ARG C C 13 181.324 0.002 . 1 . . . A 63 ARG C . 18557 1 606 . 1 1 63 63 ARG CA C 13 59.302 0.042 . 1 . . . A 63 ARG CA . 18557 1 607 . 1 1 63 63 ARG CB C 13 30.003 0.057 . 1 . . . A 63 ARG CB . 18557 1 608 . 1 1 63 63 ARG CG C 13 28.500 0.000 . 1 . . . A 63 ARG CG . 18557 1 609 . 1 1 63 63 ARG CD C 13 43.793 0.000 . 1 . . . A 63 ARG CD . 18557 1 610 . 1 1 63 63 ARG N N 15 119.355 0.044 . 1 . . . A 63 ARG N . 18557 1 611 . 1 1 64 64 SER H H 1 8.093 0.005 . 1 . . . A 64 SER H . 18557 1 612 . 1 1 64 64 SER HA H 1 4.309 0.003 . 1 . . . A 64 SER HA . 18557 1 613 . 1 1 64 64 SER HB2 H 1 4.007 0.020 . 1 . . . A 64 SER HB2 . 18557 1 614 . 1 1 64 64 SER HB3 H 1 4.071 0.025 . 1 . . . A 64 SER HB3 . 18557 1 615 . 1 1 64 64 SER C C 13 174.970 0.000 . 1 . . . A 64 SER C . 18557 1 616 . 1 1 64 64 SER CA C 13 61.709 0.011 . 1 . . . A 64 SER CA . 18557 1 617 . 1 1 64 64 SER CB C 13 62.951 0.034 . 1 . . . A 64 SER CB . 18557 1 618 . 1 1 64 64 SER N N 15 117.896 0.055 . 1 . . . A 64 SER N . 18557 1 619 . 1 1 65 65 LEU H H 1 7.454 0.007 . 1 . . . A 65 LEU H . 18557 1 620 . 1 1 65 65 LEU HA H 1 4.404 0.005 . 1 . . . A 65 LEU HA . 18557 1 621 . 1 1 65 65 LEU HB2 H 1 1.830 0.004 . 1 . . . A 65 LEU HB2 . 18557 1 622 . 1 1 65 65 LEU HB3 H 1 1.980 0.004 . 1 . . . A 65 LEU HB3 . 18557 1 623 . 1 1 65 65 LEU HG H 1 1.829 0.003 . 1 . . . A 65 LEU HG . 18557 1 624 . 1 1 65 65 LEU HD11 H 1 0.900 0.003 . 1 . . . A 65 LEU HD11 . 18557 1 625 . 1 1 65 65 LEU HD12 H 1 0.900 0.003 . 1 . . . A 65 LEU HD12 . 18557 1 626 . 1 1 65 65 LEU HD13 H 1 0.900 0.003 . 1 . . . A 65 LEU HD13 . 18557 1 627 . 1 1 65 65 LEU HD21 H 1 0.895 0.007 . 1 . . . A 65 LEU HD21 . 18557 1 628 . 1 1 65 65 LEU HD22 H 1 0.895 0.007 . 1 . . . A 65 LEU HD22 . 18557 1 629 . 1 1 65 65 LEU HD23 H 1 0.895 0.007 . 1 . . . A 65 LEU HD23 . 18557 1 630 . 1 1 65 65 LEU C C 13 176.362 0.008 . 1 . . . A 65 LEU C . 18557 1 631 . 1 1 65 65 LEU CA C 13 54.916 0.049 . 1 . . . A 65 LEU CA . 18557 1 632 . 1 1 65 65 LEU CB C 13 42.793 0.101 . 1 . . . A 65 LEU CB . 18557 1 633 . 1 1 65 65 LEU CG C 13 26.795 0.000 . 1 . . . A 65 LEU CG . 18557 1 634 . 1 1 65 65 LEU CD1 C 13 22.904 0.034 . 1 . . . A 65 LEU CD1 . 18557 1 635 . 1 1 65 65 LEU CD2 C 13 25.736 0.011 . 1 . . . A 65 LEU CD2 . 18557 1 636 . 1 1 65 65 LEU N N 15 120.370 0.075 . 1 . . . A 65 LEU N . 18557 1 637 . 1 1 66 66 GLY H H 1 7.686 0.006 . 1 . . . A 66 GLY H . 18557 1 638 . 1 1 66 66 GLY HA2 H 1 3.629 0.004 . 1 . . . A 66 GLY HA2 . 18557 1 639 . 1 1 66 66 GLY HA3 H 1 4.228 0.004 . 1 . . . A 66 GLY HA3 . 18557 1 640 . 1 1 66 66 GLY C C 13 173.842 0.010 . 1 . . . A 66 GLY C . 18557 1 641 . 1 1 66 66 GLY CA C 13 45.127 0.075 . 1 . . . A 66 GLY CA . 18557 1 642 . 1 1 66 66 GLY N N 15 104.949 0.083 . 1 . . . A 66 GLY N . 18557 1 643 . 1 1 67 67 TYR H H 1 7.926 0.007 . 1 . . . A 67 TYR H . 18557 1 644 . 1 1 67 67 TYR HA H 1 4.609 0.004 . 1 . . . A 67 TYR HA . 18557 1 645 . 1 1 67 67 TYR HB2 H 1 2.618 0.004 . 1 . . . A 67 TYR HB2 . 18557 1 646 . 1 1 67 67 TYR HB3 H 1 2.876 0.008 . 1 . . . A 67 TYR HB3 . 18557 1 647 . 1 1 67 67 TYR HD1 H 1 7.053 0.000 . 3 . . . A 67 TYR HD1 . 18557 1 648 . 1 1 67 67 TYR HD2 H 1 7.053 0.000 . 3 . . . A 67 TYR HD2 . 18557 1 649 . 1 1 67 67 TYR HE1 H 1 6.742 0.000 . 3 . . . A 67 TYR HE1 . 18557 1 650 . 1 1 67 67 TYR HE2 H 1 6.742 0.000 . 3 . . . A 67 TYR HE2 . 18557 1 651 . 1 1 67 67 TYR C C 13 173.803 0.002 . 1 . . . A 67 TYR C . 18557 1 652 . 1 1 67 67 TYR CA C 13 57.398 0.010 . 1 . . . A 67 TYR CA . 18557 1 653 . 1 1 67 67 TYR CB C 13 40.620 0.020 . 1 . . . A 67 TYR CB . 18557 1 654 . 1 1 67 67 TYR CD1 C 13 132.696 0.000 . 3 . . . A 67 TYR CD1 . 18557 1 655 . 1 1 67 67 TYR CD2 C 13 132.696 0.000 . 3 . . . A 67 TYR CD2 . 18557 1 656 . 1 1 67 67 TYR CE1 C 13 118.015 0.000 . 3 . . . A 67 TYR CE1 . 18557 1 657 . 1 1 67 67 TYR CE2 C 13 118.015 0.000 . 3 . . . A 67 TYR CE2 . 18557 1 658 . 1 1 67 67 TYR N N 15 121.112 0.055 . 1 . . . A 67 TYR N . 18557 1 659 . 1 1 68 68 MET H H 1 8.343 0.007 . 1 . . . A 68 MET H . 18557 1 660 . 1 1 68 68 MET C C 13 173.306 0.000 . 1 . . . A 68 MET C . 18557 1 661 . 1 1 68 68 MET CA C 13 52.101 0.000 . 1 . . . A 68 MET CA . 18557 1 662 . 1 1 68 68 MET N N 15 120.954 0.069 . 1 . . . A 68 MET N . 18557 1 663 . 1 1 69 69 PRO HA H 1 4.724 0.000 . 1 . . . A 69 PRO HA . 18557 1 664 . 1 1 69 69 PRO HB2 H 1 2.022 0.000 . 1 . . . A 69 PRO HB2 . 18557 1 665 . 1 1 69 69 PRO HB3 H 1 2.022 0.000 . 1 . . . A 69 PRO HB3 . 18557 1 666 . 1 1 69 69 PRO HG2 H 1 1.991 0.000 . 1 . . . A 69 PRO HG2 . 18557 1 667 . 1 1 69 69 PRO HG3 H 1 1.991 0.000 . 1 . . . A 69 PRO HG3 . 18557 1 668 . 1 1 69 69 PRO HD2 H 1 3.874 0.000 . 1 . . . A 69 PRO HD2 . 18557 1 669 . 1 1 69 69 PRO HD3 H 1 3.628 0.000 . 1 . . . A 69 PRO HD3 . 18557 1 670 . 1 1 69 69 PRO C C 13 176.991 0.000 . 1 . . . A 69 PRO C . 18557 1 671 . 1 1 69 69 PRO CA C 13 62.282 0.044 . 1 . . . A 69 PRO CA . 18557 1 672 . 1 1 69 69 PRO CB C 13 32.110 0.009 . 1 . . . A 69 PRO CB . 18557 1 673 . 1 1 69 69 PRO CG C 13 27.460 0.000 . 1 . . . A 69 PRO CG . 18557 1 674 . 1 1 69 69 PRO CD C 13 51.237 0.000 . 1 . . . A 69 PRO CD . 18557 1 675 . 1 1 70 70 ASN H H 1 8.883 0.013 . 1 . . . A 70 ASN H . 18557 1 676 . 1 1 70 70 ASN HA H 1 4.865 0.002 . 1 . . . A 70 ASN HA . 18557 1 677 . 1 1 70 70 ASN HB2 H 1 2.874 0.005 . 1 . . . A 70 ASN HB2 . 18557 1 678 . 1 1 70 70 ASN HB3 H 1 3.196 0.005 . 1 . . . A 70 ASN HB3 . 18557 1 679 . 1 1 70 70 ASN HD21 H 1 6.873 0.000 . 1 . . . A 70 ASN HD21 . 18557 1 680 . 1 1 70 70 ASN HD22 H 1 7.590 0.000 . 1 . . . A 70 ASN HD22 . 18557 1 681 . 1 1 70 70 ASN C C 13 175.517 0.005 . 1 . . . A 70 ASN C . 18557 1 682 . 1 1 70 70 ASN CA C 13 51.519 0.047 . 1 . . . A 70 ASN CA . 18557 1 683 . 1 1 70 70 ASN CB C 13 39.224 0.038 . 1 . . . A 70 ASN CB . 18557 1 684 . 1 1 70 70 ASN N N 15 120.181 0.059 . 1 . . . A 70 ASN N . 18557 1 685 . 1 1 70 70 ASN ND2 N 15 112.898 0.000 . 1 . . . A 70 ASN ND2 . 18557 1 686 . 1 1 71 71 GLU H H 1 8.580 0.002 . 1 . . . A 71 GLU H . 18557 1 687 . 1 1 71 71 GLU HA H 1 3.930 0.008 . 1 . . . A 71 GLU HA . 18557 1 688 . 1 1 71 71 GLU HB2 H 1 2.058 0.001 . 1 . . . A 71 GLU HB2 . 18557 1 689 . 1 1 71 71 GLU HB3 H 1 2.058 0.001 . 1 . . . A 71 GLU HB3 . 18557 1 690 . 1 1 71 71 GLU HG2 H 1 2.348 0.001 . 1 . . . A 71 GLU HG2 . 18557 1 691 . 1 1 71 71 GLU HG3 H 1 2.348 0.001 . 1 . . . A 71 GLU HG3 . 18557 1 692 . 1 1 71 71 GLU C C 13 178.846 0.003 . 1 . . . A 71 GLU C . 18557 1 693 . 1 1 71 71 GLU CA C 13 60.308 0.029 . 1 . . . A 71 GLU CA . 18557 1 694 . 1 1 71 71 GLU CB C 13 29.570 0.049 . 1 . . . A 71 GLU CB . 18557 1 695 . 1 1 71 71 GLU CG C 13 36.294 0.000 . 1 . . . A 71 GLU CG . 18557 1 696 . 1 1 71 71 GLU N N 15 118.483 0.025 . 1 . . . A 71 GLU N . 18557 1 697 . 1 1 72 72 VAL H H 1 7.823 0.005 . 1 . . . A 72 VAL H . 18557 1 698 . 1 1 72 72 VAL HA H 1 3.780 0.002 . 1 . . . A 72 VAL HA . 18557 1 699 . 1 1 72 72 VAL HB H 1 2.115 0.004 . 1 . . . A 72 VAL HB . 18557 1 700 . 1 1 72 72 VAL HG11 H 1 0.931 0.000 . 1 . . . A 72 VAL HG11 . 18557 1 701 . 1 1 72 72 VAL HG12 H 1 0.931 0.000 . 1 . . . A 72 VAL HG12 . 18557 1 702 . 1 1 72 72 VAL HG13 H 1 0.931 0.000 . 1 . . . A 72 VAL HG13 . 18557 1 703 . 1 1 72 72 VAL HG21 H 1 0.968 0.033 . 1 . . . A 72 VAL HG21 . 18557 1 704 . 1 1 72 72 VAL HG22 H 1 0.968 0.033 . 1 . . . A 72 VAL HG22 . 18557 1 705 . 1 1 72 72 VAL HG23 H 1 0.968 0.033 . 1 . . . A 72 VAL HG23 . 18557 1 706 . 1 1 72 72 VAL C C 13 178.074 0.032 . 1 . . . A 72 VAL C . 18557 1 707 . 1 1 72 72 VAL CA C 13 65.943 0.078 . 1 . . . A 72 VAL CA . 18557 1 708 . 1 1 72 72 VAL CB C 13 31.589 0.047 . 1 . . . A 72 VAL CB . 18557 1 709 . 1 1 72 72 VAL CG1 C 13 21.277 0.000 . 1 . . . A 72 VAL CG1 . 18557 1 710 . 1 1 72 72 VAL CG2 C 13 22.221 0.005 . 1 . . . A 72 VAL CG2 . 18557 1 711 . 1 1 72 72 VAL N N 15 119.427 0.088 . 1 . . . A 72 VAL N . 18557 1 712 . 1 1 73 73 GLU H H 1 8.039 0.002 . 1 . . . A 73 GLU H . 18557 1 713 . 1 1 73 73 GLU HA H 1 3.887 0.003 . 1 . . . A 73 GLU HA . 18557 1 714 . 1 1 73 73 GLU HB2 H 1 1.858 0.007 . 1 . . . A 73 GLU HB2 . 18557 1 715 . 1 1 73 73 GLU HB3 H 1 2.253 0.004 . 1 . . . A 73 GLU HB3 . 18557 1 716 . 1 1 73 73 GLU HG2 H 1 2.220 0.004 . 1 . . . A 73 GLU HG2 . 18557 1 717 . 1 1 73 73 GLU HG3 H 1 2.434 0.004 . 1 . . . A 73 GLU HG3 . 18557 1 718 . 1 1 73 73 GLU C C 13 178.999 0.075 . 1 . . . A 73 GLU C . 18557 1 719 . 1 1 73 73 GLU CA C 13 59.341 0.087 . 1 . . . A 73 GLU CA . 18557 1 720 . 1 1 73 73 GLU CB C 13 29.890 0.054 . 1 . . . A 73 GLU CB . 18557 1 721 . 1 1 73 73 GLU CG C 13 37.243 0.064 . 1 . . . A 73 GLU CG . 18557 1 722 . 1 1 73 73 GLU N N 15 120.005 0.020 . 1 . . . A 73 GLU N . 18557 1 723 . 1 1 74 74 LEU H H 1 7.887 0.012 . 1 . . . A 74 LEU H . 18557 1 724 . 1 1 74 74 LEU HA H 1 3.965 0.003 . 1 . . . A 74 LEU HA . 18557 1 725 . 1 1 74 74 LEU HB2 H 1 1.379 0.003 . 1 . . . A 74 LEU HB2 . 18557 1 726 . 1 1 74 74 LEU HB3 H 1 1.903 0.006 . 1 . . . A 74 LEU HB3 . 18557 1 727 . 1 1 74 74 LEU HG H 1 1.775 0.002 . 1 . . . A 74 LEU HG . 18557 1 728 . 1 1 74 74 LEU HD11 H 1 0.806 0.002 . 1 . . . A 74 LEU HD11 . 18557 1 729 . 1 1 74 74 LEU HD12 H 1 0.806 0.002 . 1 . . . A 74 LEU HD12 . 18557 1 730 . 1 1 74 74 LEU HD13 H 1 0.806 0.002 . 1 . . . A 74 LEU HD13 . 18557 1 731 . 1 1 74 74 LEU HD21 H 1 0.873 0.001 . 1 . . . A 74 LEU HD21 . 18557 1 732 . 1 1 74 74 LEU HD22 H 1 0.873 0.001 . 1 . . . A 74 LEU HD22 . 18557 1 733 . 1 1 74 74 LEU HD23 H 1 0.873 0.001 . 1 . . . A 74 LEU HD23 . 18557 1 734 . 1 1 74 74 LEU C C 13 178.167 0.012 . 1 . . . A 74 LEU C . 18557 1 735 . 1 1 74 74 LEU CA C 13 57.902 0.078 . 1 . . . A 74 LEU CA . 18557 1 736 . 1 1 74 74 LEU CB C 13 42.337 0.051 . 1 . . . A 74 LEU CB . 18557 1 737 . 1 1 74 74 LEU CG C 13 26.783 0.065 . 1 . . . A 74 LEU CG . 18557 1 738 . 1 1 74 74 LEU CD1 C 13 23.737 0.041 . 1 . . . A 74 LEU CD1 . 18557 1 739 . 1 1 74 74 LEU CD2 C 13 25.354 0.060 . 1 . . . A 74 LEU CD2 . 18557 1 740 . 1 1 74 74 LEU N N 15 116.496 0.071 . 1 . . . A 74 LEU N . 18557 1 741 . 1 1 75 75 GLU H H 1 7.641 0.003 . 1 . . . A 75 GLU H . 18557 1 742 . 1 1 75 75 GLU HA H 1 3.970 0.001 . 1 . . . A 75 GLU HA . 18557 1 743 . 1 1 75 75 GLU HB2 H 1 2.152 0.002 . 1 . . . A 75 GLU HB2 . 18557 1 744 . 1 1 75 75 GLU HB3 H 1 2.152 0.002 . 1 . . . A 75 GLU HB3 . 18557 1 745 . 1 1 75 75 GLU HG2 H 1 2.277 0.007 . 1 . . . A 75 GLU HG2 . 18557 1 746 . 1 1 75 75 GLU HG3 H 1 2.388 0.005 . 1 . . . A 75 GLU HG3 . 18557 1 747 . 1 1 75 75 GLU C C 13 178.733 0.006 . 1 . . . A 75 GLU C . 18557 1 748 . 1 1 75 75 GLU CA C 13 59.316 0.049 . 1 . . . A 75 GLU CA . 18557 1 749 . 1 1 75 75 GLU CB C 13 29.223 0.043 . 1 . . . A 75 GLU CB . 18557 1 750 . 1 1 75 75 GLU CG C 13 36.130 0.081 . 1 . . . A 75 GLU CG . 18557 1 751 . 1 1 75 75 GLU N N 15 117.709 0.069 . 1 . . . A 75 GLU N . 18557 1 752 . 1 1 76 76 VAL H H 1 8.025 0.002 . 1 . . . A 76 VAL H . 18557 1 753 . 1 1 76 76 VAL HA H 1 3.635 0.003 . 1 . . . A 76 VAL HA . 18557 1 754 . 1 1 76 76 VAL HB H 1 2.196 0.003 . 1 . . . A 76 VAL HB . 18557 1 755 . 1 1 76 76 VAL HG11 H 1 0.911 0.002 . 1 . . . A 76 VAL HG11 . 18557 1 756 . 1 1 76 76 VAL HG12 H 1 0.911 0.002 . 1 . . . A 76 VAL HG12 . 18557 1 757 . 1 1 76 76 VAL HG13 H 1 0.911 0.002 . 1 . . . A 76 VAL HG13 . 18557 1 758 . 1 1 76 76 VAL HG21 H 1 1.066 0.001 . 1 . . . A 76 VAL HG21 . 18557 1 759 . 1 1 76 76 VAL HG22 H 1 1.066 0.001 . 1 . . . A 76 VAL HG22 . 18557 1 760 . 1 1 76 76 VAL HG23 H 1 1.066 0.001 . 1 . . . A 76 VAL HG23 . 18557 1 761 . 1 1 76 76 VAL C C 13 178.493 0.031 . 1 . . . A 76 VAL C . 18557 1 762 . 1 1 76 76 VAL CA C 13 66.518 0.087 . 1 . . . A 76 VAL CA . 18557 1 763 . 1 1 76 76 VAL CB C 13 31.631 0.072 . 1 . . . A 76 VAL CB . 18557 1 764 . 1 1 76 76 VAL CG1 C 13 21.410 0.042 . 1 . . . A 76 VAL CG1 . 18557 1 765 . 1 1 76 76 VAL CG2 C 13 22.822 0.020 . 1 . . . A 76 VAL CG2 . 18557 1 766 . 1 1 76 76 VAL N N 15 119.366 0.029 . 1 . . . A 76 VAL N . 18557 1 767 . 1 1 77 77 ILE H H 1 7.798 0.007 . 1 . . . A 77 ILE H . 18557 1 768 . 1 1 77 77 ILE HA H 1 3.491 0.003 . 1 . . . A 77 ILE HA . 18557 1 769 . 1 1 77 77 ILE HB H 1 1.868 0.012 . 1 . . . A 77 ILE HB . 18557 1 770 . 1 1 77 77 ILE HG12 H 1 1.883 0.007 . 1 . . . A 77 ILE HG12 . 18557 1 771 . 1 1 77 77 ILE HG13 H 1 1.883 0.007 . 1 . . . A 77 ILE HG13 . 18557 1 772 . 1 1 77 77 ILE HG21 H 1 0.779 0.004 . 1 . . . A 77 ILE HG21 . 18557 1 773 . 1 1 77 77 ILE HG22 H 1 0.779 0.004 . 1 . . . A 77 ILE HG22 . 18557 1 774 . 1 1 77 77 ILE HG23 H 1 0.779 0.004 . 1 . . . A 77 ILE HG23 . 18557 1 775 . 1 1 77 77 ILE HD11 H 1 0.782 0.002 . 1 . . . A 77 ILE HD11 . 18557 1 776 . 1 1 77 77 ILE HD12 H 1 0.782 0.002 . 1 . . . A 77 ILE HD12 . 18557 1 777 . 1 1 77 77 ILE HD13 H 1 0.782 0.002 . 1 . . . A 77 ILE HD13 . 18557 1 778 . 1 1 77 77 ILE C C 13 177.684 0.000 . 1 . . . A 77 ILE C . 18557 1 779 . 1 1 77 77 ILE CA C 13 65.857 0.053 . 1 . . . A 77 ILE CA . 18557 1 780 . 1 1 77 77 ILE CB C 13 37.932 0.065 . 1 . . . A 77 ILE CB . 18557 1 781 . 1 1 77 77 ILE CG1 C 13 29.454 0.000 . 1 . . . A 77 ILE CG1 . 18557 1 782 . 1 1 77 77 ILE CG2 C 13 18.178 0.024 . 1 . . . A 77 ILE CG2 . 18557 1 783 . 1 1 77 77 ILE CD1 C 13 13.814 0.000 . 1 . . . A 77 ILE CD1 . 18557 1 784 . 1 1 77 77 ILE N N 15 119.508 0.050 . 1 . . . A 77 ILE N . 18557 1 785 . 1 1 78 78 ILE H H 1 7.903 0.003 . 1 . . . A 78 ILE H . 18557 1 786 . 1 1 78 78 ILE HA H 1 3.484 0.003 . 1 . . . A 78 ILE HA . 18557 1 787 . 1 1 78 78 ILE HB H 1 1.959 0.003 . 1 . . . A 78 ILE HB . 18557 1 788 . 1 1 78 78 ILE HG12 H 1 1.287 0.004 . 1 . . . A 78 ILE HG12 . 18557 1 789 . 1 1 78 78 ILE HG13 H 1 1.430 0.005 . 1 . . . A 78 ILE HG13 . 18557 1 790 . 1 1 78 78 ILE HG21 H 1 0.800 0.002 . 1 . . . A 78 ILE HG21 . 18557 1 791 . 1 1 78 78 ILE HG22 H 1 0.800 0.002 . 1 . . . A 78 ILE HG22 . 18557 1 792 . 1 1 78 78 ILE HG23 H 1 0.800 0.002 . 1 . . . A 78 ILE HG23 . 18557 1 793 . 1 1 78 78 ILE HD11 H 1 0.692 0.002 . 1 . . . A 78 ILE HD11 . 18557 1 794 . 1 1 78 78 ILE HD12 H 1 0.692 0.002 . 1 . . . A 78 ILE HD12 . 18557 1 795 . 1 1 78 78 ILE HD13 H 1 0.692 0.002 . 1 . . . A 78 ILE HD13 . 18557 1 796 . 1 1 78 78 ILE C C 13 177.460 0.000 . 1 . . . A 78 ILE C . 18557 1 797 . 1 1 78 78 ILE CA C 13 64.336 0.035 . 1 . . . A 78 ILE CA . 18557 1 798 . 1 1 78 78 ILE CB C 13 36.635 0.074 . 1 . . . A 78 ILE CB . 18557 1 799 . 1 1 78 78 ILE CG1 C 13 29.060 0.052 . 1 . . . A 78 ILE CG1 . 18557 1 800 . 1 1 78 78 ILE CG2 C 13 17.106 0.172 . 1 . . . A 78 ILE CG2 . 18557 1 801 . 1 1 78 78 ILE CD1 C 13 11.283 0.025 . 1 . . . A 78 ILE CD1 . 18557 1 802 . 1 1 78 78 ILE N N 15 117.840 0.019 . 1 . . . A 78 ILE N . 18557 1 803 . 1 1 79 79 GLN H H 1 8.260 0.002 . 1 . . . A 79 GLN H . 18557 1 804 . 1 1 79 79 GLN HA H 1 4.044 0.005 . 1 . . . A 79 GLN HA . 18557 1 805 . 1 1 79 79 GLN HB2 H 1 2.152 0.018 . 1 . . . A 79 GLN HB2 . 18557 1 806 . 1 1 79 79 GLN HB3 H 1 2.153 0.021 . 1 . . . A 79 GLN HB3 . 18557 1 807 . 1 1 79 79 GLN HG2 H 1 2.446 0.007 . 1 . . . A 79 GLN HG2 . 18557 1 808 . 1 1 79 79 GLN HG3 H 1 2.601 0.007 . 1 . . . A 79 GLN HG3 . 18557 1 809 . 1 1 79 79 GLN HE21 H 1 7.600 0.000 . 1 . . . A 79 GLN HE21 . 18557 1 810 . 1 1 79 79 GLN HE22 H 1 6.696 0.000 . 1 . . . A 79 GLN HE22 . 18557 1 811 . 1 1 79 79 GLN C C 13 178.447 0.000 . 1 . . . A 79 GLN C . 18557 1 812 . 1 1 79 79 GLN CA C 13 58.952 0.037 . 1 . . . A 79 GLN CA . 18557 1 813 . 1 1 79 79 GLN CB C 13 28.208 0.062 . 1 . . . A 79 GLN CB . 18557 1 814 . 1 1 79 79 GLN CG C 13 34.310 0.043 . 1 . . . A 79 GLN CG . 18557 1 815 . 1 1 79 79 GLN N N 15 117.508 0.046 . 1 . . . A 79 GLN N . 18557 1 816 . 1 1 79 79 GLN NE2 N 15 111.387 0.000 . 1 . . . A 79 GLN NE2 . 18557 1 817 . 1 1 80 80 ARG H H 1 7.694 0.004 . 1 . . . A 80 ARG H . 18557 1 818 . 1 1 80 80 ARG HA H 1 4.101 0.000 . 1 . . . A 80 ARG HA . 18557 1 819 . 1 1 80 80 ARG HB2 H 1 1.931 0.000 . 1 . . . A 80 ARG HB2 . 18557 1 820 . 1 1 80 80 ARG HB3 H 1 1.931 0.000 . 1 . . . A 80 ARG HB3 . 18557 1 821 . 1 1 80 80 ARG HG2 H 1 1.696 0.000 . 1 . . . A 80 ARG HG2 . 18557 1 822 . 1 1 80 80 ARG HG3 H 1 1.696 0.000 . 1 . . . A 80 ARG HG3 . 18557 1 823 . 1 1 80 80 ARG HD2 H 1 3.180 0.000 . 1 . . . A 80 ARG HD2 . 18557 1 824 . 1 1 80 80 ARG HD3 H 1 3.091 0.000 . 1 . . . A 80 ARG HD3 . 18557 1 825 . 1 1 80 80 ARG C C 13 177.386 0.000 . 1 . . . A 80 ARG C . 18557 1 826 . 1 1 80 80 ARG CA C 13 57.603 0.035 . 1 . . . A 80 ARG CA . 18557 1 827 . 1 1 80 80 ARG CB C 13 29.997 0.008 . 1 . . . A 80 ARG CB . 18557 1 828 . 1 1 80 80 ARG CG C 13 27.332 0.000 . 1 . . . A 80 ARG CG . 18557 1 829 . 1 1 80 80 ARG CD C 13 42.324 0.000 . 1 . . . A 80 ARG CD . 18557 1 830 . 1 1 80 80 ARG N N 15 116.671 0.047 . 1 . . . A 80 ARG N . 18557 1 831 . 1 1 81 81 LEU H H 1 7.426 0.007 . 1 . . . A 81 LEU H . 18557 1 832 . 1 1 81 81 LEU HA H 1 4.310 0.006 . 1 . . . A 81 LEU HA . 18557 1 833 . 1 1 81 81 LEU HB2 H 1 1.434 0.004 . 1 . . . A 81 LEU HB2 . 18557 1 834 . 1 1 81 81 LEU HB3 H 1 1.435 0.000 . 1 . . . A 81 LEU HB3 . 18557 1 835 . 1 1 81 81 LEU HG H 1 1.806 0.005 . 1 . . . A 81 LEU HG . 18557 1 836 . 1 1 81 81 LEU HD11 H 1 0.765 0.002 . 1 . . . A 81 LEU HD11 . 18557 1 837 . 1 1 81 81 LEU HD12 H 1 0.765 0.002 . 1 . . . A 81 LEU HD12 . 18557 1 838 . 1 1 81 81 LEU HD13 H 1 0.765 0.002 . 1 . . . A 81 LEU HD13 . 18557 1 839 . 1 1 81 81 LEU HD21 H 1 0.766 0.003 . 1 . . . A 81 LEU HD21 . 18557 1 840 . 1 1 81 81 LEU HD22 H 1 0.766 0.003 . 1 . . . A 81 LEU HD22 . 18557 1 841 . 1 1 81 81 LEU HD23 H 1 0.766 0.003 . 1 . . . A 81 LEU HD23 . 18557 1 842 . 1 1 81 81 LEU C C 13 176.855 0.024 . 1 . . . A 81 LEU C . 18557 1 843 . 1 1 81 81 LEU CA C 13 55.475 0.090 . 1 . . . A 81 LEU CA . 18557 1 844 . 1 1 81 81 LEU CB C 13 44.925 0.077 . 1 . . . A 81 LEU CB . 18557 1 845 . 1 1 81 81 LEU CD1 C 13 26.108 0.011 . 1 . . . A 81 LEU CD1 . 18557 1 846 . 1 1 81 81 LEU CD2 C 13 26.108 0.011 . 1 . . . A 81 LEU CD2 . 18557 1 847 . 1 1 81 81 LEU N N 15 117.108 0.060 . 1 . . . A 81 LEU N . 18557 1 848 . 1 1 82 82 ASP H H 1 8.102 0.010 . 1 . . . A 82 ASP H . 18557 1 849 . 1 1 82 82 ASP HA H 1 4.506 0.001 . 1 . . . A 82 ASP HA . 18557 1 850 . 1 1 82 82 ASP HB2 H 1 2.408 0.000 . 1 . . . A 82 ASP HB2 . 18557 1 851 . 1 1 82 82 ASP HB3 H 1 2.835 0.000 . 1 . . . A 82 ASP HB3 . 18557 1 852 . 1 1 82 82 ASP C C 13 176.387 0.004 . 1 . . . A 82 ASP C . 18557 1 853 . 1 1 82 82 ASP CA C 13 54.386 0.049 . 1 . . . A 82 ASP CA . 18557 1 854 . 1 1 82 82 ASP CB C 13 40.649 0.037 . 1 . . . A 82 ASP CB . 18557 1 855 . 1 1 82 82 ASP N N 15 116.730 0.047 . 1 . . . A 82 ASP N . 18557 1 856 . 1 1 83 83 MET H H 1 8.606 0.007 . 1 . . . A 83 MET H . 18557 1 857 . 1 1 83 83 MET HA H 1 4.418 0.005 . 1 . . . A 83 MET HA . 18557 1 858 . 1 1 83 83 MET HB2 H 1 2.142 0.012 . 1 . . . A 83 MET HB2 . 18557 1 859 . 1 1 83 83 MET HB3 H 1 2.188 0.014 . 1 . . . A 83 MET HB3 . 18557 1 860 . 1 1 83 83 MET HG2 H 1 2.601 0.002 . 1 . . . A 83 MET HG2 . 18557 1 861 . 1 1 83 83 MET HG3 H 1 2.793 0.002 . 1 . . . A 83 MET HG3 . 18557 1 862 . 1 1 83 83 MET C C 13 177.552 0.007 . 1 . . . A 83 MET C . 18557 1 863 . 1 1 83 83 MET CA C 13 57.062 0.043 . 1 . . . A 83 MET CA . 18557 1 864 . 1 1 83 83 MET CB C 13 34.343 0.065 . 1 . . . A 83 MET CB . 18557 1 865 . 1 1 83 83 MET CG C 13 32.370 0.063 . 1 . . . A 83 MET CG . 18557 1 866 . 1 1 83 83 MET N N 15 126.897 0.041 . 1 . . . A 83 MET N . 18557 1 867 . 1 1 84 84 ASP H H 1 8.375 0.028 . 1 . . . A 84 ASP H . 18557 1 868 . 1 1 84 84 ASP HA H 1 4.654 0.005 . 1 . . . A 84 ASP HA . 18557 1 869 . 1 1 84 84 ASP HB2 H 1 2.677 0.001 . 1 . . . A 84 ASP HB2 . 18557 1 870 . 1 1 84 84 ASP HB3 H 1 3.058 0.001 . 1 . . . A 84 ASP HB3 . 18557 1 871 . 1 1 84 84 ASP C C 13 178.169 0.000 . 1 . . . A 84 ASP C . 18557 1 872 . 1 1 84 84 ASP CA C 13 53.301 0.035 . 1 . . . A 84 ASP CA . 18557 1 873 . 1 1 84 84 ASP CB C 13 40.383 0.041 . 1 . . . A 84 ASP CB . 18557 1 874 . 1 1 84 84 ASP N N 15 116.512 0.076 . 1 . . . A 84 ASP N . 18557 1 875 . 1 1 85 85 GLY H H 1 7.668 0.008 . 1 . . . A 85 GLY H . 18557 1 876 . 1 1 85 85 GLY HA2 H 1 3.833 0.004 . 1 . . . A 85 GLY HA2 . 18557 1 877 . 1 1 85 85 GLY HA3 H 1 3.961 0.009 . 1 . . . A 85 GLY HA3 . 18557 1 878 . 1 1 85 85 GLY C C 13 175.234 0.011 . 1 . . . A 85 GLY C . 18557 1 879 . 1 1 85 85 GLY CA C 13 47.376 0.110 . 1 . . . A 85 GLY CA . 18557 1 880 . 1 1 85 85 GLY N N 15 108.932 0.065 . 1 . . . A 85 GLY N . 18557 1 881 . 1 1 86 86 ASP H H 1 8.371 0.007 . 1 . . . A 86 ASP H . 18557 1 882 . 1 1 86 86 ASP HA H 1 4.488 0.001 . 1 . . . A 86 ASP HA . 18557 1 883 . 1 1 86 86 ASP HB2 H 1 2.492 0.003 . 1 . . . A 86 ASP HB2 . 18557 1 884 . 1 1 86 86 ASP HB3 H 1 2.913 0.006 . 1 . . . A 86 ASP HB3 . 18557 1 885 . 1 1 86 86 ASP C C 13 177.714 0.010 . 1 . . . A 86 ASP C . 18557 1 886 . 1 1 86 86 ASP CA C 13 53.563 0.051 . 1 . . . A 86 ASP CA . 18557 1 887 . 1 1 86 86 ASP CB C 13 40.230 0.000 . 1 . . . A 86 ASP CB . 18557 1 888 . 1 1 86 86 ASP N N 15 120.761 0.055 . 1 . . . A 86 ASP N . 18557 1 889 . 1 1 87 87 GLY H H 1 10.190 0.005 . 1 . . . A 87 GLY H . 18557 1 890 . 1 1 87 87 GLY HA2 H 1 3.427 0.004 . 1 . . . A 87 GLY HA2 . 18557 1 891 . 1 1 87 87 GLY HA3 H 1 4.025 0.002 . 1 . . . A 87 GLY HA3 . 18557 1 892 . 1 1 87 87 GLY C C 13 172.835 0.002 . 1 . . . A 87 GLY C . 18557 1 893 . 1 1 87 87 GLY CA C 13 45.909 0.021 . 1 . . . A 87 GLY CA . 18557 1 894 . 1 1 87 87 GLY N N 15 112.859 0.046 . 1 . . . A 87 GLY N . 18557 1 895 . 1 1 88 88 GLN H H 1 7.986 0.004 . 1 . . . A 88 GLN H . 18557 1 896 . 1 1 88 88 GLN HA H 1 4.916 0.001 . 1 . . . A 88 GLN HA . 18557 1 897 . 1 1 88 88 GLN HB2 H 1 1.786 0.002 . 1 . . . A 88 GLN HB2 . 18557 1 898 . 1 1 88 88 GLN HB3 H 1 1.989 0.004 . 1 . . . A 88 GLN HB3 . 18557 1 899 . 1 1 88 88 GLN HG2 H 1 1.924 0.003 . 1 . . . A 88 GLN HG2 . 18557 1 900 . 1 1 88 88 GLN HG3 H 1 1.987 0.000 . 1 . . . A 88 GLN HG3 . 18557 1 901 . 1 1 88 88 GLN HE21 H 1 5.817 0.000 . 1 . . . A 88 GLN HE21 . 18557 1 902 . 1 1 88 88 GLN HE22 H 1 6.455 0.000 . 1 . . . A 88 GLN HE22 . 18557 1 903 . 1 1 88 88 GLN C C 13 174.918 0.003 . 1 . . . A 88 GLN C . 18557 1 904 . 1 1 88 88 GLN CA C 13 53.080 0.035 . 1 . . . A 88 GLN CA . 18557 1 905 . 1 1 88 88 GLN CB C 13 32.559 0.050 . 1 . . . A 88 GLN CB . 18557 1 906 . 1 1 88 88 GLN CG C 13 33.373 0.000 . 1 . . . A 88 GLN CG . 18557 1 907 . 1 1 88 88 GLN N N 15 115.726 0.060 . 1 . . . A 88 GLN N . 18557 1 908 . 1 1 88 88 GLN NE2 N 15 108.951 0.002 . 1 . . . A 88 GLN NE2 . 18557 1 909 . 1 1 89 89 VAL H H 1 8.970 0.004 . 1 . . . A 89 VAL H . 18557 1 910 . 1 1 89 89 VAL HA H 1 5.269 0.005 . 1 . . . A 89 VAL HA . 18557 1 911 . 1 1 89 89 VAL HB H 1 2.218 0.004 . 1 . . . A 89 VAL HB . 18557 1 912 . 1 1 89 89 VAL HG11 H 1 0.843 0.003 . 1 . . . A 89 VAL HG11 . 18557 1 913 . 1 1 89 89 VAL HG12 H 1 0.843 0.003 . 1 . . . A 89 VAL HG12 . 18557 1 914 . 1 1 89 89 VAL HG13 H 1 0.843 0.003 . 1 . . . A 89 VAL HG13 . 18557 1 915 . 1 1 89 89 VAL HG21 H 1 1.238 0.002 . 1 . . . A 89 VAL HG21 . 18557 1 916 . 1 1 89 89 VAL HG22 H 1 1.238 0.002 . 1 . . . A 89 VAL HG22 . 18557 1 917 . 1 1 89 89 VAL HG23 H 1 1.238 0.002 . 1 . . . A 89 VAL HG23 . 18557 1 918 . 1 1 89 89 VAL C C 13 175.782 0.001 . 1 . . . A 89 VAL C . 18557 1 919 . 1 1 89 89 VAL CA C 13 61.428 0.041 . 1 . . . A 89 VAL CA . 18557 1 920 . 1 1 89 89 VAL CB C 13 34.135 0.104 . 1 . . . A 89 VAL CB . 18557 1 921 . 1 1 89 89 VAL CG1 C 13 22.036 0.014 . 1 . . . A 89 VAL CG1 . 18557 1 922 . 1 1 89 89 VAL CG2 C 13 22.021 0.036 . 1 . . . A 89 VAL CG2 . 18557 1 923 . 1 1 89 89 VAL N N 15 124.457 0.042 . 1 . . . A 89 VAL N . 18557 1 924 . 1 1 90 90 ASP H H 1 9.517 0.006 . 1 . . . A 90 ASP H . 18557 1 925 . 1 1 90 90 ASP HA H 1 5.387 0.005 . 1 . . . A 90 ASP HA . 18557 1 926 . 1 1 90 90 ASP HB2 H 1 3.003 0.021 . 1 . . . A 90 ASP HB2 . 18557 1 927 . 1 1 90 90 ASP HB3 H 1 3.049 0.014 . 1 . . . A 90 ASP HB3 . 18557 1 928 . 1 1 90 90 ASP C C 13 176.157 0.023 . 1 . . . A 90 ASP C . 18557 1 929 . 1 1 90 90 ASP CA C 13 52.050 0.075 . 1 . . . A 90 ASP CA . 18557 1 930 . 1 1 90 90 ASP CB C 13 41.695 0.064 . 1 . . . A 90 ASP CB . 18557 1 931 . 1 1 90 90 ASP N N 15 129.744 0.142 . 1 . . . A 90 ASP N . 18557 1 932 . 1 1 91 91 PHE H H 1 8.488 0.016 . 1 . . . A 91 PHE H . 18557 1 933 . 1 1 91 91 PHE HA H 1 3.478 0.004 . 1 . . . A 91 PHE HA . 18557 1 934 . 1 1 91 91 PHE HB2 H 1 2.103 0.007 . 1 . . . A 91 PHE HB2 . 18557 1 935 . 1 1 91 91 PHE HB3 H 1 2.488 0.004 . 1 . . . A 91 PHE HB3 . 18557 1 936 . 1 1 91 91 PHE HD1 H 1 6.540 0.000 . 3 . . . A 91 PHE HD1 . 18557 1 937 . 1 1 91 91 PHE HD2 H 1 6.540 0.000 . 3 . . . A 91 PHE HD2 . 18557 1 938 . 1 1 91 91 PHE HE1 H 1 7.068 0.000 . 3 . . . A 91 PHE HE1 . 18557 1 939 . 1 1 91 91 PHE HE2 H 1 7.068 0.000 . 3 . . . A 91 PHE HE2 . 18557 1 940 . 1 1 91 91 PHE HZ H 1 6.975 0.000 . 1 . . . A 91 PHE HZ . 18557 1 941 . 1 1 91 91 PHE C C 13 176.180 0.000 . 1 . . . A 91 PHE C . 18557 1 942 . 1 1 91 91 PHE CA C 13 62.287 0.063 . 1 . . . A 91 PHE CA . 18557 1 943 . 1 1 91 91 PHE CB C 13 38.850 0.074 . 1 . . . A 91 PHE CB . 18557 1 944 . 1 1 91 91 PHE CD1 C 13 131.629 0.000 . 3 . . . A 91 PHE CD1 . 18557 1 945 . 1 1 91 91 PHE CD2 C 13 131.629 0.000 . 3 . . . A 91 PHE CD2 . 18557 1 946 . 1 1 91 91 PHE CE1 C 13 130.568 0.000 . 3 . . . A 91 PHE CE1 . 18557 1 947 . 1 1 91 91 PHE CE2 C 13 130.568 0.000 . 3 . . . A 91 PHE CE2 . 18557 1 948 . 1 1 91 91 PHE CZ C 13 128.641 0.000 . 1 . . . A 91 PHE CZ . 18557 1 949 . 1 1 91 91 PHE N N 15 118.749 0.093 . 1 . . . A 91 PHE N . 18557 1 950 . 1 1 92 92 GLU H H 1 7.952 0.017 . 1 . . . A 92 GLU H . 18557 1 951 . 1 1 92 92 GLU HA H 1 3.699 0.003 . 1 . . . A 92 GLU HA . 18557 1 952 . 1 1 92 92 GLU HB2 H 1 2.009 0.033 . 1 . . . A 92 GLU HB2 . 18557 1 953 . 1 1 92 92 GLU HB3 H 1 2.112 0.019 . 1 . . . A 92 GLU HB3 . 18557 1 954 . 1 1 92 92 GLU HG2 H 1 2.282 0.004 . 1 . . . A 92 GLU HG2 . 18557 1 955 . 1 1 92 92 GLU HG3 H 1 2.282 0.004 . 1 . . . A 92 GLU HG3 . 18557 1 956 . 1 1 92 92 GLU C C 13 179.940 0.003 . 1 . . . A 92 GLU C . 18557 1 957 . 1 1 92 92 GLU CA C 13 60.007 0.031 . 1 . . . A 92 GLU CA . 18557 1 958 . 1 1 92 92 GLU CB C 13 28.833 0.134 . 1 . . . A 92 GLU CB . 18557 1 959 . 1 1 92 92 GLU CG C 13 37.027 0.143 . 1 . . . A 92 GLU CG . 18557 1 960 . 1 1 92 92 GLU N N 15 117.468 0.073 . 1 . . . A 92 GLU N . 18557 1 961 . 1 1 93 93 GLU H H 1 8.510 0.035 . 1 . . . A 93 GLU H . 18557 1 962 . 1 1 93 93 GLU HA H 1 3.996 0.000 . 1 . . . A 93 GLU HA . 18557 1 963 . 1 1 93 93 GLU HB2 H 1 2.575 0.000 . 1 . . . A 93 GLU HB2 . 18557 1 964 . 1 1 93 93 GLU HB3 H 1 2.575 0.000 . 1 . . . A 93 GLU HB3 . 18557 1 965 . 1 1 93 93 GLU HG2 H 1 2.325 0.000 . 1 . . . A 93 GLU HG2 . 18557 1 966 . 1 1 93 93 GLU HG3 H 1 2.325 0.000 . 1 . . . A 93 GLU HG3 . 18557 1 967 . 1 1 93 93 GLU C C 13 178.502 0.003 . 1 . . . A 93 GLU C . 18557 1 968 . 1 1 93 93 GLU CA C 13 58.941 0.022 . 1 . . . A 93 GLU CA . 18557 1 969 . 1 1 93 93 GLU CB C 13 29.603 0.046 . 1 . . . A 93 GLU CB . 18557 1 970 . 1 1 93 93 GLU CG C 13 37.925 0.000 . 1 . . . A 93 GLU CG . 18557 1 971 . 1 1 93 93 GLU N N 15 121.140 0.173 . 1 . . . A 93 GLU N . 18557 1 972 . 1 1 94 94 PHE H H 1 8.576 0.008 . 1 . . . A 94 PHE H . 18557 1 973 . 1 1 94 94 PHE HA H 1 3.958 0.004 . 1 . . . A 94 PHE HA . 18557 1 974 . 1 1 94 94 PHE HB2 H 1 3.150 0.010 . 1 . . . A 94 PHE HB2 . 18557 1 975 . 1 1 94 94 PHE HB3 H 1 3.256 0.015 . 1 . . . A 94 PHE HB3 . 18557 1 976 . 1 1 94 94 PHE HD1 H 1 6.917 0.000 . 3 . . . A 94 PHE HD1 . 18557 1 977 . 1 1 94 94 PHE HD2 H 1 6.905 0.000 . 3 . . . A 94 PHE HD2 . 18557 1 978 . 1 1 94 94 PHE HE1 H 1 7.110 0.000 . 3 . . . A 94 PHE HE1 . 18557 1 979 . 1 1 94 94 PHE HE2 H 1 7.104 0.000 . 3 . . . A 94 PHE HE2 . 18557 1 980 . 1 1 94 94 PHE C C 13 176.388 0.009 . 1 . . . A 94 PHE C . 18557 1 981 . 1 1 94 94 PHE CA C 13 61.673 0.037 . 1 . . . A 94 PHE CA . 18557 1 982 . 1 1 94 94 PHE CB C 13 40.862 0.012 . 1 . . . A 94 PHE CB . 18557 1 983 . 1 1 94 94 PHE CD1 C 13 131.876 0.000 . 3 . . . A 94 PHE CD1 . 18557 1 984 . 1 1 94 94 PHE CD2 C 13 131.876 0.000 . 3 . . . A 94 PHE CD2 . 18557 1 985 . 1 1 94 94 PHE CE1 C 13 130.984 0.000 . 3 . . . A 94 PHE CE1 . 18557 1 986 . 1 1 94 94 PHE CE2 C 13 130.984 0.000 . 3 . . . A 94 PHE CE2 . 18557 1 987 . 1 1 94 94 PHE N N 15 122.340 0.052 . 1 . . . A 94 PHE N . 18557 1 988 . 1 1 95 95 VAL H H 1 8.176 0.023 . 1 . . . A 95 VAL H . 18557 1 989 . 1 1 95 95 VAL HA H 1 3.321 0.005 . 1 . . . A 95 VAL HA . 18557 1 990 . 1 1 95 95 VAL HB H 1 1.744 0.003 . 1 . . . A 95 VAL HB . 18557 1 991 . 1 1 95 95 VAL HG11 H 1 0.528 0.001 . 1 . . . A 95 VAL HG11 . 18557 1 992 . 1 1 95 95 VAL HG12 H 1 0.528 0.001 . 1 . . . A 95 VAL HG12 . 18557 1 993 . 1 1 95 95 VAL HG13 H 1 0.528 0.001 . 1 . . . A 95 VAL HG13 . 18557 1 994 . 1 1 95 95 VAL HG21 H 1 0.645 0.001 . 1 . . . A 95 VAL HG21 . 18557 1 995 . 1 1 95 95 VAL HG22 H 1 0.645 0.001 . 1 . . . A 95 VAL HG22 . 18557 1 996 . 1 1 95 95 VAL HG23 H 1 0.645 0.001 . 1 . . . A 95 VAL HG23 . 18557 1 997 . 1 1 95 95 VAL C C 13 178.018 0.000 . 1 . . . A 95 VAL C . 18557 1 998 . 1 1 95 95 VAL CA C 13 65.595 0.088 . 1 . . . A 95 VAL CA . 18557 1 999 . 1 1 95 95 VAL CB C 13 31.342 0.085 . 1 . . . A 95 VAL CB . 18557 1 1000 . 1 1 95 95 VAL CG1 C 13 22.779 0.028 . 1 . . . A 95 VAL CG1 . 18557 1 1001 . 1 1 95 95 VAL CG2 C 13 21.663 0.027 . 1 . . . A 95 VAL CG2 . 18557 1 1002 . 1 1 95 95 VAL N N 15 114.536 0.145 . 1 . . . A 95 VAL N . 18557 1 1003 . 1 1 96 96 THR H H 1 7.563 0.022 . 1 . . . A 96 THR H . 18557 1 1004 . 1 1 96 96 THR HA H 1 3.899 0.001 . 1 . . . A 96 THR HA . 18557 1 1005 . 1 1 96 96 THR HB H 1 4.254 0.009 . 1 . . . A 96 THR HB . 18557 1 1006 . 1 1 96 96 THR HG21 H 1 1.289 0.001 . 1 . . . A 96 THR HG21 . 18557 1 1007 . 1 1 96 96 THR HG22 H 1 1.289 0.001 . 1 . . . A 96 THR HG22 . 18557 1 1008 . 1 1 96 96 THR HG23 H 1 1.289 0.001 . 1 . . . A 96 THR HG23 . 18557 1 1009 . 1 1 96 96 THR C C 13 176.095 0.000 . 1 . . . A 96 THR C . 18557 1 1010 . 1 1 96 96 THR CA C 13 65.976 0.026 . 1 . . . A 96 THR CA . 18557 1 1011 . 1 1 96 96 THR CB C 13 68.921 0.108 . 1 . . . A 96 THR CB . 18557 1 1012 . 1 1 96 96 THR CG2 C 13 21.465 0.006 . 1 . . . A 96 THR CG2 . 18557 1 1013 . 1 1 96 96 THR N N 15 114.915 0.145 . 1 . . . A 96 THR N . 18557 1 1014 . 1 1 97 97 LEU H H 1 7.506 0.011 . 1 . . . A 97 LEU H . 18557 1 1015 . 1 1 97 97 LEU HA H 1 4.036 0.006 . 1 . . . A 97 LEU HA . 18557 1 1016 . 1 1 97 97 LEU HB2 H 1 1.426 0.005 . 1 . . . A 97 LEU HB2 . 18557 1 1017 . 1 1 97 97 LEU HB3 H 1 1.544 0.002 . 1 . . . A 97 LEU HB3 . 18557 1 1018 . 1 1 97 97 LEU HG H 1 1.588 0.004 . 1 . . . A 97 LEU HG . 18557 1 1019 . 1 1 97 97 LEU HD11 H 1 0.657 0.002 . 1 . . . A 97 LEU HD11 . 18557 1 1020 . 1 1 97 97 LEU HD12 H 1 0.657 0.002 . 1 . . . A 97 LEU HD12 . 18557 1 1021 . 1 1 97 97 LEU HD13 H 1 0.657 0.002 . 1 . . . A 97 LEU HD13 . 18557 1 1022 . 1 1 97 97 LEU HD21 H 1 0.731 0.003 . 1 . . . A 97 LEU HD21 . 18557 1 1023 . 1 1 97 97 LEU HD22 H 1 0.731 0.003 . 1 . . . A 97 LEU HD22 . 18557 1 1024 . 1 1 97 97 LEU HD23 H 1 0.731 0.003 . 1 . . . A 97 LEU HD23 . 18557 1 1025 . 1 1 97 97 LEU C C 13 177.225 0.011 . 1 . . . A 97 LEU C . 18557 1 1026 . 1 1 97 97 LEU CA C 13 56.945 0.037 . 1 . . . A 97 LEU CA . 18557 1 1027 . 1 1 97 97 LEU CB C 13 42.154 0.076 . 1 . . . A 97 LEU CB . 18557 1 1028 . 1 1 97 97 LEU CG C 13 27.045 0.001 . 1 . . . A 97 LEU CG . 18557 1 1029 . 1 1 97 97 LEU CD1 C 13 24.860 0.055 . 1 . . . A 97 LEU CD1 . 18557 1 1030 . 1 1 97 97 LEU CD2 C 13 24.322 0.084 . 1 . . . A 97 LEU CD2 . 18557 1 1031 . 1 1 97 97 LEU N N 15 120.919 0.039 . 1 . . . A 97 LEU N . 18557 1 1032 . 1 1 98 98 LEU H H 1 7.357 0.014 . 1 . . . A 98 LEU H . 18557 1 1033 . 1 1 98 98 LEU HA H 1 4.157 0.005 . 1 . . . A 98 LEU HA . 18557 1 1034 . 1 1 98 98 LEU HB2 H 1 1.504 0.004 . 1 . . . A 98 LEU HB2 . 18557 1 1035 . 1 1 98 98 LEU HB3 H 1 1.504 0.004 . 1 . . . A 98 LEU HB3 . 18557 1 1036 . 1 1 98 98 LEU HG H 1 1.418 0.004 . 1 . . . A 98 LEU HG . 18557 1 1037 . 1 1 98 98 LEU HD11 H 1 0.560 0.001 . 1 . . . A 98 LEU HD11 . 18557 1 1038 . 1 1 98 98 LEU HD12 H 1 0.560 0.001 . 1 . . . A 98 LEU HD12 . 18557 1 1039 . 1 1 98 98 LEU HD13 H 1 0.560 0.001 . 1 . . . A 98 LEU HD13 . 18557 1 1040 . 1 1 98 98 LEU HD21 H 1 0.663 0.004 . 1 . . . A 98 LEU HD21 . 18557 1 1041 . 1 1 98 98 LEU HD22 H 1 0.663 0.004 . 1 . . . A 98 LEU HD22 . 18557 1 1042 . 1 1 98 98 LEU HD23 H 1 0.663 0.004 . 1 . . . A 98 LEU HD23 . 18557 1 1043 . 1 1 98 98 LEU C C 13 177.054 0.061 . 1 . . . A 98 LEU C . 18557 1 1044 . 1 1 98 98 LEU CA C 13 55.257 0.082 . 1 . . . A 98 LEU CA . 18557 1 1045 . 1 1 98 98 LEU CB C 13 42.099 0.064 . 1 . . . A 98 LEU CB . 18557 1 1046 . 1 1 98 98 LEU CG C 13 27.225 0.084 . 1 . . . A 98 LEU CG . 18557 1 1047 . 1 1 98 98 LEU CD1 C 13 25.442 0.026 . 1 . . . A 98 LEU CD1 . 18557 1 1048 . 1 1 98 98 LEU CD2 C 13 23.325 0.044 . 1 . . . A 98 LEU CD2 . 18557 1 1049 . 1 1 98 98 LEU N N 15 116.105 0.079 . 1 . . . A 98 LEU N . 18557 1 1050 . 1 1 99 99 GLY H H 1 7.654 0.027 . 1 . . . A 99 GLY H . 18557 1 1051 . 1 1 99 99 GLY HA2 H 1 3.880 0.005 . 1 . . . A 99 GLY HA2 . 18557 1 1052 . 1 1 99 99 GLY HA3 H 1 4.094 0.004 . 1 . . . A 99 GLY HA3 . 18557 1 1053 . 1 1 99 99 GLY C C 13 170.687 0.000 . 1 . . . A 99 GLY C . 18557 1 1054 . 1 1 99 99 GLY CA C 13 44.970 0.010 . 1 . . . A 99 GLY CA . 18557 1 1055 . 1 1 99 99 GLY N N 15 107.039 0.125 . 1 . . . A 99 GLY N . 18557 1 stop_ save_