data_6167 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6167 _Entry.Title ; Structural studies on the Ca-binding domain of human nucleobindin (CALNUC) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-04-02 _Entry.Accession_date 2004-04-02 _Entry.Last_release_date 2004-06-25 _Entry.Original_release_date 2004-06-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 Eva 'de Alba' . . . 6167 2 Nico Tjandra . . . 6167 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6167 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 620 6167 '13C chemical shifts' 433 6167 '15N chemical shifts' 99 6167 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-06-25 2004-04-02 original author . 6167 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6167 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Structural studies on the Ca-binding domain of human nucleobindin (CALNUC)' _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Eva 'de Alba' . . . 6167 1 2 Nico Tjandra . . . 6167 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID EF-HAND 6167 1 CALCIUM-BINDING 6167 1 NMR 6167 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Nuc _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Nuc _Assembly.Entry_ID 6167 _Assembly.ID 1 _Assembly.Name Nucleobindin _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6167 1 stop_ 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 Nucleobindin 1 $Nucleobindin . . . native . . . . . 6167 1 2 'calcium ion, 1' 2 $CA . . . native . . . . . 6167 1 3 'calcium ion, 2' 2 $CA . . . native . . . . . 6167 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1SNL . . . . . . 6167 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Nucleobindin system 6167 1 Nuc abbreviation 6167 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Calcium storage' 6167 1 DNA-binding 6167 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Nucleobindin _Entity.Sf_category entity _Entity.Sf_framecode Nucleobindin _Entity.Entry_ID 6167 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Nucleobindin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; LKEVWEELDGLDPNRFNPKT FFILHDINSDGVLDEQELEA LFTKELEKVYDPKNEEDDMR EMEEERLRMREHVMKNVDTN QDRLVTLEEFLASTQRKEF ; _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 . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12403 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Consists of twp EF-hands and it is bound to two calcium ions.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1SNL . "Nmr Solution Structure Of The Calcium-Binding Domain Of Nucleobindin (Calnuc)" . . . . . 100.00 103 100.00 100.00 1.44e-62 . . . . 6167 1 2 no DBJ BAB23644 . "unnamed protein product [Mus musculus]" . . . . . 100.00 459 100.00 100.00 1.88e-60 . . . . 6167 1 3 no DBJ BAB25383 . "unnamed protein product [Mus musculus]" . . . . . 100.00 459 100.00 100.00 2.09e-60 . . . . 6167 1 4 no DBJ BAC32214 . "unnamed protein product [Mus musculus]" . . . . . 100.00 459 100.00 100.00 1.80e-60 . . . . 6167 1 5 no DBJ BAD96525 . "nucleobindin 1 variant [Homo sapiens]" . . . . . 100.00 461 100.00 100.00 4.74e-60 . . . . 6167 1 6 no DBJ BAE24451 . "unnamed protein product [Mus musculus]" . . . . . 100.00 459 100.00 100.00 1.88e-60 . . . . 6167 1 7 no EMBL CAA85285 . "Calcium binding protein [Rattus norvegicus]" . . . . . 100.00 459 100.00 100.00 1.82e-60 . . . . 6167 1 8 no EMBL CAH89813 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 464 100.00 100.00 3.20e-60 . . . . 6167 1 9 no EMBL CAH93225 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 463 98.99 98.99 2.56e-59 . . . . 6167 1 10 no GB AAA36383 . "nucleobindin [Homo sapiens]" . . . . . 100.00 460 97.98 98.99 2.67e-58 . . . . 6167 1 11 no GB AAA39842 . "nucleobindin [Mus musculus]" . . . . . 100.00 455 100.00 100.00 1.67e-60 . . . . 6167 1 12 no GB AAB60431 . "nucleobindin [Homo sapiens]" . . . . . 100.00 461 100.00 100.00 5.22e-60 . . . . 6167 1 13 no GB AAH02356 . "Nucleobindin 1 [Homo sapiens]" . . . . . 100.00 461 100.00 100.00 4.09e-60 . . . . 6167 1 14 no GB AAH72554 . "Nucb1 protein [Mus musculus]" . . . . . 100.00 459 100.00 100.00 1.88e-60 . . . . 6167 1 15 no REF NP_001068667 . "nucleobindin-1 precursor [Bos taurus]" . . . . . 100.00 474 98.99 100.00 1.30e-59 . . . . 6167 1 16 no REF NP_001126897 . "nucleobindin-1 precursor [Pongo abelii]" . . . . . 100.00 463 98.99 98.99 2.56e-59 . . . . 6167 1 17 no REF NP_001128752 . "DKFZP459P137 protein precursor [Pongo abelii]" . . . . . 100.00 464 100.00 100.00 3.20e-60 . . . . 6167 1 18 no REF NP_001157134 . "nucleobindin-1 isoform 1 precursor [Mus musculus]" . . . . . 100.00 459 100.00 100.00 1.88e-60 . . . . 6167 1 19 no REF NP_001231417 . "nucleobindin-1 precursor [Sus scrofa]" . . . . . 100.00 457 98.99 100.00 1.17e-59 . . . . 6167 1 20 no SP Q02818 . "RecName: Full=Nucleobindin-1; AltName: Full=CALNUC; Flags: Precursor [Homo sapiens]" . . . . . 100.00 461 100.00 100.00 4.09e-60 . . . . 6167 1 21 no SP Q02819 . "RecName: Full=Nucleobindin-1; AltName: Full=CALNUC; Flags: Precursor [Mus musculus]" . . . . . 100.00 459 100.00 100.00 1.88e-60 . . . . 6167 1 22 no SP Q0P569 . "RecName: Full=Nucleobindin-1; Flags: Precursor [Bos taurus]" . . . . . 100.00 474 98.99 100.00 1.30e-59 . . . . 6167 1 23 no SP Q5R4U1 . "RecName: Full=Nucleobindin-1; Flags: Precursor [Pongo abelii]" . . . . . 100.00 463 98.99 98.99 2.56e-59 . . . . 6167 1 24 no SP Q63083 . "RecName: Full=Nucleobindin-1; AltName: Full=Bone 63 kDa calcium-binding protein; AltName: Full=CALNUC; Flags: Precursor [Rattus" . . . . . 100.00 459 100.00 100.00 1.82e-60 . . . . 6167 1 25 no TPG DAA19548 . "TPA: nucleobindin-1 precursor [Bos taurus]" . . . . . 100.00 474 98.99 100.00 1.30e-59 . . . . 6167 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Nucleobindin common 6167 1 Nuc abbreviation 6167 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 LEU . 6167 1 2 2 LYS . 6167 1 3 3 GLU . 6167 1 4 4 VAL . 6167 1 5 5 TRP . 6167 1 6 6 GLU . 6167 1 7 7 GLU . 6167 1 8 8 LEU . 6167 1 9 9 ASP . 6167 1 10 10 GLY . 6167 1 11 11 LEU . 6167 1 12 12 ASP . 6167 1 13 13 PRO . 6167 1 14 14 ASN . 6167 1 15 15 ARG . 6167 1 16 16 PHE . 6167 1 17 17 ASN . 6167 1 18 18 PRO . 6167 1 19 19 LYS . 6167 1 20 20 THR . 6167 1 21 21 PHE . 6167 1 22 22 PHE . 6167 1 23 23 ILE . 6167 1 24 24 LEU . 6167 1 25 25 HIS . 6167 1 26 26 ASP . 6167 1 27 27 ILE . 6167 1 28 28 ASN . 6167 1 29 29 SER . 6167 1 30 30 ASP . 6167 1 31 31 GLY . 6167 1 32 32 VAL . 6167 1 33 33 LEU . 6167 1 34 34 ASP . 6167 1 35 35 GLU . 6167 1 36 36 GLN . 6167 1 37 37 GLU . 6167 1 38 38 LEU . 6167 1 39 39 GLU . 6167 1 40 40 ALA . 6167 1 41 41 LEU . 6167 1 42 42 PHE . 6167 1 43 43 THR . 6167 1 44 44 LYS . 6167 1 45 45 GLU . 6167 1 46 46 LEU . 6167 1 47 47 GLU . 6167 1 48 48 LYS . 6167 1 49 49 VAL . 6167 1 50 50 TYR . 6167 1 51 51 ASP . 6167 1 52 52 PRO . 6167 1 53 53 LYS . 6167 1 54 54 ASN . 6167 1 55 55 GLU . 6167 1 56 56 GLU . 6167 1 57 57 ASP . 6167 1 58 58 ASP . 6167 1 59 59 MET . 6167 1 60 60 ARG . 6167 1 61 61 GLU . 6167 1 62 62 MET . 6167 1 63 63 GLU . 6167 1 64 64 GLU . 6167 1 65 65 GLU . 6167 1 66 66 ARG . 6167 1 67 67 LEU . 6167 1 68 68 ARG . 6167 1 69 69 MET . 6167 1 70 70 ARG . 6167 1 71 71 GLU . 6167 1 72 72 HIS . 6167 1 73 73 VAL . 6167 1 74 74 MET . 6167 1 75 75 LYS . 6167 1 76 76 ASN . 6167 1 77 77 VAL . 6167 1 78 78 ASP . 6167 1 79 79 THR . 6167 1 80 80 ASN . 6167 1 81 81 GLN . 6167 1 82 82 ASP . 6167 1 83 83 ARG . 6167 1 84 84 LEU . 6167 1 85 85 VAL . 6167 1 86 86 THR . 6167 1 87 87 LEU . 6167 1 88 88 GLU . 6167 1 89 89 GLU . 6167 1 90 90 PHE . 6167 1 91 91 LEU . 6167 1 92 92 ALA . 6167 1 93 93 SER . 6167 1 94 94 THR . 6167 1 95 95 GLN . 6167 1 96 96 ARG . 6167 1 97 97 LYS . 6167 1 98 98 GLU . 6167 1 99 99 PHE . 6167 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 . LEU 1 1 6167 1 . LYS 2 2 6167 1 . GLU 3 3 6167 1 . VAL 4 4 6167 1 . TRP 5 5 6167 1 . GLU 6 6 6167 1 . GLU 7 7 6167 1 . LEU 8 8 6167 1 . ASP 9 9 6167 1 . GLY 10 10 6167 1 . LEU 11 11 6167 1 . ASP 12 12 6167 1 . PRO 13 13 6167 1 . ASN 14 14 6167 1 . ARG 15 15 6167 1 . PHE 16 16 6167 1 . ASN 17 17 6167 1 . PRO 18 18 6167 1 . LYS 19 19 6167 1 . THR 20 20 6167 1 . PHE 21 21 6167 1 . PHE 22 22 6167 1 . ILE 23 23 6167 1 . LEU 24 24 6167 1 . HIS 25 25 6167 1 . ASP 26 26 6167 1 . ILE 27 27 6167 1 . ASN 28 28 6167 1 . SER 29 29 6167 1 . ASP 30 30 6167 1 . GLY 31 31 6167 1 . VAL 32 32 6167 1 . LEU 33 33 6167 1 . ASP 34 34 6167 1 . GLU 35 35 6167 1 . GLN 36 36 6167 1 . GLU 37 37 6167 1 . LEU 38 38 6167 1 . GLU 39 39 6167 1 . ALA 40 40 6167 1 . LEU 41 41 6167 1 . PHE 42 42 6167 1 . THR 43 43 6167 1 . LYS 44 44 6167 1 . GLU 45 45 6167 1 . LEU 46 46 6167 1 . GLU 47 47 6167 1 . LYS 48 48 6167 1 . VAL 49 49 6167 1 . TYR 50 50 6167 1 . ASP 51 51 6167 1 . PRO 52 52 6167 1 . LYS 53 53 6167 1 . ASN 54 54 6167 1 . GLU 55 55 6167 1 . GLU 56 56 6167 1 . ASP 57 57 6167 1 . ASP 58 58 6167 1 . MET 59 59 6167 1 . ARG 60 60 6167 1 . GLU 61 61 6167 1 . MET 62 62 6167 1 . GLU 63 63 6167 1 . GLU 64 64 6167 1 . GLU 65 65 6167 1 . ARG 66 66 6167 1 . LEU 67 67 6167 1 . ARG 68 68 6167 1 . MET 69 69 6167 1 . ARG 70 70 6167 1 . GLU 71 71 6167 1 . HIS 72 72 6167 1 . VAL 73 73 6167 1 . MET 74 74 6167 1 . LYS 75 75 6167 1 . ASN 76 76 6167 1 . VAL 77 77 6167 1 . ASP 78 78 6167 1 . THR 79 79 6167 1 . ASN 80 80 6167 1 . GLN 81 81 6167 1 . ASP 82 82 6167 1 . ARG 83 83 6167 1 . LEU 84 84 6167 1 . VAL 85 85 6167 1 . THR 86 86 6167 1 . LEU 87 87 6167 1 . GLU 88 88 6167 1 . GLU 89 89 6167 1 . PHE 90 90 6167 1 . LEU 91 91 6167 1 . ALA 92 92 6167 1 . SER 93 93 6167 1 . THR 94 94 6167 1 . GLN 95 95 6167 1 . ARG 96 96 6167 1 . LYS 97 97 6167 1 . GLU 98 98 6167 1 . PHE 99 99 6167 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 6167 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _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 no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . CA . 6167 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 6167 _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 $Nucleobindin . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6167 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 6167 _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 $Nucleobindin . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6167 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 6167 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _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 . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _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 . _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 ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:33:06 2011 ; _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 [Ca+2] SMILES ACDLabs 10.04 6167 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 6167 CA [Ca++] SMILES CACTVS 3.341 6167 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6167 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 6167 CA InChI=1S/Ca/q+2 InChI InChI 1.03 6167 CA BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 6167 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 6167 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6167 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 . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6167 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6167 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Nucleobindin [U-15N] . . 1 $Nucleobindin . . 1 . . mM . . . . 6167 1 2 CaCl2 . . . . . . . 5 . . mM . . . . 6167 1 3 NaN3 . . . . . . . 0.1 . . mM . . . . 6167 1 4 H2O . . . . . . . 90 . . % . . . . 6167 1 5 D2O . . . . . . . 10 . . % . . . . 6167 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6167 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Nucleobindin '[U-15N; U-13C]' . . 1 $Nucleobindin . . 1 . . mM . . . . 6167 2 2 CaCl2 . . . . . . . 5 . . mM . . . . 6167 2 3 NaN3 . . . . . . . 0.1 . . mM . . . . 6167 2 4 H2O . . . . . . . 90 . . % . . . . 6167 2 5 D2O . . . . . . . 10 . . % . . . . 6167 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 6167 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Nucleobindin '[U-15N; U-13C]' . . 1 $Nucleobindin . . 1 . . mM . . . . 6167 3 2 CaCl2 . . . . . . . 5 . . mM . . . . 6167 3 3 NaN3 . . . . . . . 0.1 . . mM . . . . 6167 3 4 D2O . . . . . . . 100 . . % . . . . 6167 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 6167 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 Nucleobindin '[U-15N; U-13C]' . . 1 $Nucleobindin . . 0.7 . . mM . . . . 6167 4 2 CaCl2 . . . . . . . 5 . . mM . . . . 6167 4 3 NaN3 . . . . . . . 0.1 . . mM . . . . 6167 4 4 H2O . . . . . . . 90 . . % . . . . 6167 4 5 D2O . . . . . . . 10 . . % . . . . 6167 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6167 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 pH 6167 1 temperature 300 0.1 K 6167 1 'ionic strength' 10 . mM 6167 1 pressure 1 . atm 6167 1 stop_ save_ ############################ # Computer software used # ############################ save_UXNMR _Software.Sf_category software _Software.Sf_framecode UXNMR _Software.Entry_ID 6167 _Software.ID 1 _Software.Name UXNMR _Software.Version 2.5 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6167 1 stop_ save_ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6167 _Software.ID 2 _Software.Name XWINNMR _Software.Version 2.5 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6167 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6167 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6167 3 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 6167 _Software.ID 4 _Software.Name PIPP _Software.Version 4.2.8 _Software.Details 'Garrett, D.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6167 4 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 6167 _Software.ID 5 _Software.Name XPLOR-NIH _Software.Version 2.9.3 _Software.Details 'Schwieters, kuszewski, Tjandra, Clore' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6167 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6167 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6167 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6167 _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 NMR_spectrometer_1 Bruker AVANCE . 800 . . . 6167 1 2 NMR_spectrometer_2 Bruker AVANCE . 600 . . . 6167 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 6167 _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 15N-HSQC . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1 2 '3D-15N separated-NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1 3 4D-15N . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1 4 '13C separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1 5 HNCO . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1 6 CBCACONH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1 7 HNCACB . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1 8 HCCONH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1 9 CCONH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1 10 '4D-13C,13C separated NOESY' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1 11 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1 12 HCACONH . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1 13 '13C-HSQC JMOD' . . . . . . . . . . . . . . . . 1 $sample_cond_1 . . . . . . . . . . . . . . . . . . . . . 6167 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6167 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6167 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6167 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6167 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6167 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6167 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 LEU CA C 13 55.9760 . . 1 . . . . . . . . 6167 1 2 . 1 1 1 1 LEU C C 13 177.7340 . . 1 . . . . . . . . 6167 1 3 . 1 1 1 1 LEU CB C 13 41.5330 . . 1 . . . . . . . . 6167 1 4 . 1 1 2 2 LYS H H 1 8.0000 . . 1 . . . . . . . . 6167 1 5 . 1 1 2 2 LYS N N 15 119.4630 . . 1 . . . . . . . . 6167 1 6 . 1 1 2 2 LYS CA C 13 57.55 . . 1 . . . . . . . . 6167 1 7 . 1 1 2 2 LYS HA H 1 4.076 . . 1 . . . . . . . . 6167 1 8 . 1 1 2 2 LYS CB C 13 33.10 . . 1 . . . . . . . . 6167 1 9 . 1 1 2 2 LYS CG C 13 24.84 . . 1 . . . . . . . . 6167 1 10 . 1 1 2 2 LYS CD C 13 29.74 . . 1 . . . . . . . . 6167 1 11 . 1 1 2 2 LYS CE C 13 41.79 . . 1 . . . . . . . . 6167 1 12 . 1 1 2 2 LYS HB2 H 1 1.749 . . 1 . . . . . . . . 6167 1 13 . 1 1 2 2 LYS HG2 H 1 1.319 . . 1 . . . . . . . . 6167 1 14 . 1 1 2 2 LYS HD2 H 1 1.745 . . 1 . . . . . . . . 6167 1 15 . 1 1 2 2 LYS HE2 H 1 2.927 . . 1 . . . . . . . . 6167 1 16 . 1 1 4 4 VAL CA C 13 63.9380 . . 1 . . . . . . . . 6167 1 17 . 1 1 4 4 VAL HA H 1 3.761 . . 1 . . . . . . . . 6167 1 18 . 1 1 4 4 VAL CB C 13 32.0190 . . 1 . . . . . . . . 6167 1 19 . 1 1 4 4 VAL HB H 1 1.827 . . 1 . . . . . . . . 6167 1 20 . 1 1 4 4 VAL CG1 C 13 21.38 . . 2 . . . . . . . . 6167 1 21 . 1 1 4 4 VAL HG11 H 1 0.684 . . 2 . . . . . . . . 6167 1 22 . 1 1 4 4 VAL HG12 H 1 0.684 . . 2 . . . . . . . . 6167 1 23 . 1 1 4 4 VAL HG13 H 1 0.684 . . 2 . . . . . . . . 6167 1 24 . 1 1 4 4 VAL CG2 C 13 21.296 . . 2 . . . . . . . . 6167 1 25 . 1 1 4 4 VAL HG21 H 1 0.635 . . 2 . . . . . . . . 6167 1 26 . 1 1 4 4 VAL HG22 H 1 0.635 . . 2 . . . . . . . . 6167 1 27 . 1 1 4 4 VAL HG23 H 1 0.635 . . 2 . . . . . . . . 6167 1 28 . 1 1 5 5 TRP H H 1 7.7530 . . 1 . . . . . . . . 6167 1 29 . 1 1 5 5 TRP N N 15 119.3700 . . 1 . . . . . . . . 6167 1 30 . 1 1 5 5 TRP CA C 13 58.22 . . 1 . . . . . . . . 6167 1 31 . 1 1 5 5 TRP HA H 1 4.466 . . 1 . . . . . . . . 6167 1 32 . 1 1 5 5 TRP CB C 13 29.659 . . 1 . . . . . . . . 6167 1 33 . 1 1 5 5 TRP CD1 C 13 126.8 . . 1 . . . . . . . . 6167 1 34 . 1 1 5 5 TRP HD1 H 1 7.128 . . 1 . . . . . . . . 6167 1 35 . 1 1 5 5 TRP NE1 N 15 128.119 . . 1 . . . . . . . . 6167 1 36 . 1 1 5 5 TRP HE1 H 1 10.046 . . 1 . . . . . . . . 6167 1 37 . 1 1 5 5 TRP CE3 C 13 122.07 . . 1 . . . . . . . . 6167 1 38 . 1 1 5 5 TRP HE3 H 1 7.80 . . 1 . . . . . . . . 6167 1 39 . 1 1 5 5 TRP CZ2 C 13 114.064 . . 1 . . . . . . . . 6167 1 40 . 1 1 5 5 TRP HZ2 H 1 7.299 . . 1 . . . . . . . . 6167 1 41 . 1 1 5 5 TRP HB2 H 1 3.784 . . 1 . . . . . . . . 6167 1 42 . 1 1 7 7 GLU H H 1 7.9030 . . 1 . . . . . . . . 6167 1 43 . 1 1 7 7 GLU CA C 13 56.8930 . . 1 . . . . . . . . 6167 1 44 . 1 1 7 7 GLU HA H 1 4.202 . . 1 . . . . . . . . 6167 1 45 . 1 1 7 7 GLU CB C 13 29.7670 . . 1 . . . . . . . . 6167 1 46 . 1 1 7 7 GLU HB3 H 1 1.881 . . 2 . . . . . . . . 6167 1 47 . 1 1 7 7 GLU CG C 13 36.10 . . 1 . . . . . . . . 6167 1 48 . 1 1 7 7 GLU HB2 H 1 2.014 . . 2 . . . . . . . . 6167 1 49 . 1 1 7 7 GLU HG2 H 1 2.161 . . 1 . . . . . . . . 6167 1 50 . 1 1 8 8 LEU H H 1 7.9150 . . 1 . . . . . . . . 6167 1 51 . 1 1 8 8 LEU N N 15 120.7610 . . 1 . . . . . . . . 6167 1 52 . 1 1 8 8 LEU CA C 13 55.599 . . 1 . . . . . . . . 6167 1 53 . 1 1 8 8 LEU HA H 1 4.236 . . 1 . . . . . . . . 6167 1 54 . 1 1 8 8 LEU C C 13 177.2190 . . 1 . . . . . . . . 6167 1 55 . 1 1 8 8 LEU CB C 13 42.31 . . 1 . . . . . . . . 6167 1 56 . 1 1 8 8 LEU HB3 H 1 1.494 . . 2 . . . . . . . . 6167 1 57 . 1 1 8 8 LEU CG C 13 26.72 . . 1 . . . . . . . . 6167 1 58 . 1 1 8 8 LEU CD1 C 13 25.20 . . 2 . . . . . . . . 6167 1 59 . 1 1 8 8 LEU HD11 H 1 0.746 . . 1 . . . . . . . . 6167 1 60 . 1 1 8 8 LEU HD12 H 1 0.746 . . 1 . . . . . . . . 6167 1 61 . 1 1 8 8 LEU HD13 H 1 0.746 . . 1 . . . . . . . . 6167 1 62 . 1 1 8 8 LEU CD2 C 13 23.40 . . 2 . . . . . . . . 6167 1 63 . 1 1 8 8 LEU HD21 H 1 0.746 . . 1 . . . . . . . . 6167 1 64 . 1 1 8 8 LEU HD22 H 1 0.746 . . 1 . . . . . . . . 6167 1 65 . 1 1 8 8 LEU HD23 H 1 0.746 . . 1 . . . . . . . . 6167 1 66 . 1 1 8 8 LEU HG H 1 1.645 . . 1 . . . . . . . . 6167 1 67 . 1 1 8 8 LEU HB2 H 1 1.628 . . 2 . . . . . . . . 6167 1 68 . 1 1 9 9 ASP H H 1 8.2140 . . 1 . . . . . . . . 6167 1 69 . 1 1 9 9 ASP N N 15 119.2700 . . 1 . . . . . . . . 6167 1 70 . 1 1 9 9 ASP CA C 13 54.7400 . . 1 . . . . . . . . 6167 1 71 . 1 1 9 9 ASP HA H 1 4.569 . . 1 . . . . . . . . 6167 1 72 . 1 1 9 9 ASP C C 13 176.8290 . . 1 . . . . . . . . 6167 1 73 . 1 1 9 9 ASP CB C 13 41.2800 . . 1 . . . . . . . . 6167 1 74 . 1 1 9 9 ASP HB2 H 1 2.690 . . 1 . . . . . . . . 6167 1 75 . 1 1 10 10 GLY H H 1 8.1470 . . 1 . . . . . . . . 6167 1 76 . 1 1 10 10 GLY N N 15 107.605 . . 1 . . . . . . . . 6167 1 77 . 1 1 10 10 GLY CA C 13 45.5800 . . 1 . . . . . . . . 6167 1 78 . 1 1 10 10 GLY C C 13 174.1950 . . 1 . . . . . . . . 6167 1 79 . 1 1 10 10 GLY HA2 H 1 3.878 . . 1 . . . . . . . . 6167 1 80 . 1 1 11 11 LEU H H 1 7.9580 . . 1 . . . . . . . . 6167 1 81 . 1 1 11 11 LEU N N 15 119.9830 . . 1 . . . . . . . . 6167 1 82 . 1 1 11 11 LEU CA C 13 54.909 . . 1 . . . . . . . . 6167 1 83 . 1 1 11 11 LEU HA H 1 4.331 . . 1 . . . . . . . . 6167 1 84 . 1 1 11 11 LEU C C 13 176.8410 . . 1 . . . . . . . . 6167 1 85 . 1 1 11 11 LEU CB C 13 42.341 . . 1 . . . . . . . . 6167 1 86 . 1 1 11 11 LEU CG C 13 27.089 . . 1 . . . . . . . . 6167 1 87 . 1 1 11 11 LEU CD1 C 13 25.32 . . 2 . . . . . . . . 6167 1 88 . 1 1 11 11 LEU HD11 H 1 0.869 . . 2 . . . . . . . . 6167 1 89 . 1 1 11 11 LEU HD12 H 1 0.869 . . 2 . . . . . . . . 6167 1 90 . 1 1 11 11 LEU HD13 H 1 0.869 . . 2 . . . . . . . . 6167 1 91 . 1 1 11 11 LEU CD2 C 13 23.34 . . 2 . . . . . . . . 6167 1 92 . 1 1 11 11 LEU HD21 H 1 0.789 . . 2 . . . . . . . . 6167 1 93 . 1 1 11 11 LEU HD22 H 1 0.789 . . 2 . . . . . . . . 6167 1 94 . 1 1 11 11 LEU HD23 H 1 0.789 . . 2 . . . . . . . . 6167 1 95 . 1 1 11 11 LEU HG H 1 1.506 . . 1 . . . . . . . . 6167 1 96 . 1 1 11 11 LEU HB2 H 1 1.55 . . 1 . . . . . . . . 6167 1 97 . 1 1 12 12 ASP H H 1 8.1890 . . 1 . . . . . . . . 6167 1 98 . 1 1 12 12 ASP N N 15 121.3760 . . 1 . . . . . . . . 6167 1 99 . 1 1 12 12 ASP CA C 13 51.6500 . . 1 . . . . . . . . 6167 1 100 . 1 1 12 12 ASP HA H 1 4.92 . . 1 . . . . . . . . 6167 1 101 . 1 1 12 12 ASP CB C 13 41.91 . . 1 . . . . . . . . 6167 1 102 . 1 1 12 12 ASP HB3 H 1 2.640 . . 2 . . . . . . . . 6167 1 103 . 1 1 12 12 ASP HB2 H 1 2.826 . . 2 . . . . . . . . 6167 1 104 . 1 1 13 13 PRO CA C 13 64.221 . . 1 . . . . . . . . 6167 1 105 . 1 1 13 13 PRO HA H 1 4.518 . . 1 . . . . . . . . 6167 1 106 . 1 1 13 13 PRO C C 13 177.4450 . . 1 . . . . . . . . 6167 1 107 . 1 1 13 13 PRO CB C 13 32.26 . . 1 . . . . . . . . 6167 1 108 . 1 1 13 13 PRO HB3 H 1 2.013 . . 2 . . . . . . . . 6167 1 109 . 1 1 13 13 PRO CG C 13 27.16 . . 1 . . . . . . . . 6167 1 110 . 1 1 13 13 PRO CD C 13 51.18 . . 1 . . . . . . . . 6167 1 111 . 1 1 13 13 PRO HB2 H 1 2.34 . . 2 . . . . . . . . 6167 1 112 . 1 1 13 13 PRO HG2 H 1 2.028 . . 1 . . . . . . . . 6167 1 113 . 1 1 13 13 PRO HD2 H 1 3.933 . . 1 . . . . . . . . 6167 1 114 . 1 1 14 14 ASN H H 1 8.5420 . . 1 . . . . . . . . 6167 1 115 . 1 1 14 14 ASN N N 15 115.7010 . . 1 . . . . . . . . 6167 1 116 . 1 1 14 14 ASN CA C 13 54.18 . . 1 . . . . . . . . 6167 1 117 . 1 1 14 14 ASN HA H 1 4.700 . . 1 . . . . . . . . 6167 1 118 . 1 1 14 14 ASN C C 13 175.5410 . . 1 . . . . . . . . 6167 1 119 . 1 1 14 14 ASN CB C 13 38.74 . . 1 . . . . . . . . 6167 1 120 . 1 1 14 14 ASN ND2 N 15 114.41 . . 1 . . . . . . . . 6167 1 121 . 1 1 14 14 ASN HD21 H 1 7.873 . . 2 . . . . . . . . 6167 1 122 . 1 1 14 14 ASN HD22 H 1 6.976 . . 2 . . . . . . . . 6167 1 123 . 1 1 14 14 ASN HB2 H 1 2.846 . . 1 . . . . . . . . 6167 1 124 . 1 1 15 15 ARG H H 1 7.7540 . . 1 . . . . . . . . 6167 1 125 . 1 1 15 15 ARG N N 15 118.8700 . . 1 . . . . . . . . 6167 1 126 . 1 1 15 15 ARG CA C 13 56.3570 . . 1 . . . . . . . . 6167 1 127 . 1 1 15 15 ARG HA H 1 4.304 . . 1 . . . . . . . . 6167 1 128 . 1 1 15 15 ARG CB C 13 31.3560 . . 1 . . . . . . . . 6167 1 129 . 1 1 15 15 ARG CG C 13 27.105 . . 1 . . . . . . . . 6167 1 130 . 1 1 15 15 ARG CD C 13 43.232 . . 1 . . . . . . . . 6167 1 131 . 1 1 15 15 ARG HB2 H 1 1.753 . . 1 . . . . . . . . 6167 1 132 . 1 1 15 15 ARG HG2 H 1 1.497 . . 1 . . . . . . . . 6167 1 133 . 1 1 15 15 ARG HD3 H 1 3.214 . . 1 . . . . . . . . 6167 1 134 . 1 1 16 16 PHE H H 1 7.77 . . 1 . . . . . . . . 6167 1 135 . 1 1 16 16 PHE CA C 13 57.7980 . . 1 . . . . . . . . 6167 1 136 . 1 1 16 16 PHE CB C 13 40.3260 . . 1 . . . . . . . . 6167 1 137 . 1 1 17 17 ASN H H 1 8.1658 . . 1 . . . . . . . . 6167 1 138 . 1 1 17 17 ASN N N 15 123.5323 . . 1 . . . . . . . . 6167 1 139 . 1 1 17 17 ASN CA C 13 50.37 . . 1 . . . . . . . . 6167 1 140 . 1 1 17 17 ASN HA H 1 5.04 . . 1 . . . . . . . . 6167 1 141 . 1 1 17 17 ASN CB C 13 39.463 . . 1 . . . . . . . . 6167 1 142 . 1 1 17 17 ASN HB3 H 1 2.791 . . 2 . . . . . . . . 6167 1 143 . 1 1 17 17 ASN ND2 N 15 113.06 . . 1 . . . . . . . . 6167 1 144 . 1 1 17 17 ASN HD21 H 1 7.718 . . 2 . . . . . . . . 6167 1 145 . 1 1 17 17 ASN HD22 H 1 6.991 . . 2 . . . . . . . . 6167 1 146 . 1 1 17 17 ASN HB2 H 1 3.069 . . 2 . . . . . . . . 6167 1 147 . 1 1 18 18 PRO CA C 13 65.376 . . 1 . . . . . . . . 6167 1 148 . 1 1 18 18 PRO HA H 1 4.210 . . 1 . . . . . . . . 6167 1 149 . 1 1 18 18 PRO C C 13 177.6470 . . 1 . . . . . . . . 6167 1 150 . 1 1 18 18 PRO CB C 13 32.73 . . 1 . . . . . . . . 6167 1 151 . 1 1 18 18 PRO HB3 H 1 1.981 . . 2 . . . . . . . . 6167 1 152 . 1 1 18 18 PRO CG C 13 27.44 . . 1 . . . . . . . . 6167 1 153 . 1 1 18 18 PRO CD C 13 51.05 . . 1 . . . . . . . . 6167 1 154 . 1 1 18 18 PRO HB2 H 1 2.302 . . 2 . . . . . . . . 6167 1 155 . 1 1 18 18 PRO HG2 H 1 2.020 . . 1 . . . . . . . . 6167 1 156 . 1 1 18 18 PRO HD2 H 1 3.876 . . 1 . . . . . . . . 6167 1 157 . 1 1 19 19 LYS H H 1 7.9770 . . 1 . . . . . . . . 6167 1 158 . 1 1 19 19 LYS N N 15 116.8150 . . 1 . . . . . . . . 6167 1 159 . 1 1 19 19 LYS CA C 13 60.4090 . . 1 . . . . . . . . 6167 1 160 . 1 1 19 19 LYS HA H 1 4.084 . . 1 . . . . . . . . 6167 1 161 . 1 1 19 19 LYS C C 13 177.8990 . . 1 . . . . . . . . 6167 1 162 . 1 1 19 19 LYS CB C 13 32.3620 . . 1 . . . . . . . . 6167 1 163 . 1 1 19 19 LYS HB3 H 1 1.912 . . 2 . . . . . . . . 6167 1 164 . 1 1 19 19 LYS CG C 13 25.99 . . 1 . . . . . . . . 6167 1 165 . 1 1 19 19 LYS CD C 13 29.45 . . 1 . . . . . . . . 6167 1 166 . 1 1 19 19 LYS CE C 13 42.002 . . 1 . . . . . . . . 6167 1 167 . 1 1 19 19 LYS HB2 H 1 1.996 . . 2 . . . . . . . . 6167 1 168 . 1 1 19 19 LYS HG2 H 1 1.501 . . 1 . . . . . . . . 6167 1 169 . 1 1 19 19 LYS HD2 H 1 1.761 . . 1 . . . . . . . . 6167 1 170 . 1 1 19 19 LYS HE2 H 1 2.971 . . 1 . . . . . . . . 6167 1 171 . 1 1 20 20 THR H H 1 7.5520 . . 1 . . . . . . . . 6167 1 172 . 1 1 20 20 THR N N 15 113.2420 . . 1 . . . . . . . . 6167 1 173 . 1 1 20 20 THR CA C 13 65.9950 . . 1 . . . . . . . . 6167 1 174 . 1 1 20 20 THR HA H 1 3.92 . . 1 . . . . . . . . 6167 1 175 . 1 1 20 20 THR C C 13 176.1250 . . 1 . . . . . . . . 6167 1 176 . 1 1 20 20 THR CB C 13 68.3960 . . 1 . . . . . . . . 6167 1 177 . 1 1 20 20 THR HB H 1 4.254 . . 1 . . . . . . . . 6167 1 178 . 1 1 20 20 THR CG2 C 13 22.44 . . 1 . . . . . . . . 6167 1 179 . 1 1 20 20 THR HG21 H 1 1.280 . . 1 . . . . . . . . 6167 1 180 . 1 1 20 20 THR HG22 H 1 1.280 . . 1 . . . . . . . . 6167 1 181 . 1 1 20 20 THR HG23 H 1 1.280 . . 1 . . . . . . . . 6167 1 182 . 1 1 21 21 PHE H H 1 8.0090 . . 1 . . . . . . . . 6167 1 183 . 1 1 21 21 PHE N N 15 121.9110 . . 1 . . . . . . . . 6167 1 184 . 1 1 21 21 PHE CA C 13 61.8510 . . 1 . . . . . . . . 6167 1 185 . 1 1 21 21 PHE HA H 1 4.113 . . 1 . . . . . . . . 6167 1 186 . 1 1 21 21 PHE CB C 13 40.0930 . . 1 . . . . . . . . 6167 1 187 . 1 1 21 21 PHE CD1 C 13 132.21 . . 1 . . . . . . . . 6167 1 188 . 1 1 21 21 PHE HD1 H 1 7.191 . . 1 . . . . . . . . 6167 1 189 . 1 1 21 21 PHE CD2 C 13 132.21 . . 1 . . . . . . . . 6167 1 190 . 1 1 21 21 PHE HD2 H 1 7.191 . . 1 . . . . . . . . 6167 1 191 . 1 1 21 21 PHE CE1 C 13 131.276 . . 1 . . . . . . . . 6167 1 192 . 1 1 21 21 PHE HE1 H 1 7.116 . . 1 . . . . . . . . 6167 1 193 . 1 1 21 21 PHE CE2 C 13 131.276 . . 1 . . . . . . . . 6167 1 194 . 1 1 21 21 PHE HE2 H 1 7.116 . . 1 . . . . . . . . 6167 1 195 . 1 1 21 21 PHE CZ C 13 130.22 . . 1 . . . . . . . . 6167 1 196 . 1 1 21 21 PHE HZ H 1 7.014 . . 1 . . . . . . . . 6167 1 197 . 1 1 21 21 PHE HB2 H 1 3.195 . . 1 . . . . . . . . 6167 1 198 . 1 1 22 22 PHE CA C 13 62.5860 . . 1 . . . . . . . . 6167 1 199 . 1 1 22 22 PHE HA H 1 3.3668 . . 1 . . . . . . . . 6167 1 200 . 1 1 22 22 PHE C C 13 176.7230 . . 1 . . . . . . . . 6167 1 201 . 1 1 22 22 PHE CB C 13 39.6170 . . 1 . . . . . . . . 6167 1 202 . 1 1 22 22 PHE HB3 H 1 2.798 . . 2 . . . . . . . . 6167 1 203 . 1 1 22 22 PHE CD1 C 13 131.6 . . 1 . . . . . . . . 6167 1 204 . 1 1 22 22 PHE HD1 H 1 6.687 . . 1 . . . . . . . . 6167 1 205 . 1 1 22 22 PHE CD2 C 13 131.6 . . 1 . . . . . . . . 6167 1 206 . 1 1 22 22 PHE HD2 H 1 6.687 . . 1 . . . . . . . . 6167 1 207 . 1 1 22 22 PHE CE1 C 13 130.91 . . 1 . . . . . . . . 6167 1 208 . 1 1 22 22 PHE HE1 H 1 6.939 . . 1 . . . . . . . . 6167 1 209 . 1 1 22 22 PHE CE2 C 13 130.91 . . 1 . . . . . . . . 6167 1 210 . 1 1 22 22 PHE HE2 H 1 6.939 . . 1 . . . . . . . . 6167 1 211 . 1 1 22 22 PHE CZ C 13 130.13 . . 1 . . . . . . . . 6167 1 212 . 1 1 22 22 PHE HZ H 1 7.204 . . 1 . . . . . . . . 6167 1 213 . 1 1 22 22 PHE HB2 H 1 3.363 . . 2 . . . . . . . . 6167 1 214 . 1 1 23 23 ILE H H 1 8.1150 . . 1 . . . . . . . . 6167 1 215 . 1 1 23 23 ILE N N 15 116.6680 . . 1 . . . . . . . . 6167 1 216 . 1 1 23 23 ILE CA C 13 64.8400 . . 1 . . . . . . . . 6167 1 217 . 1 1 23 23 ILE HA H 1 3.780 . . 1 . . . . . . . . 6167 1 218 . 1 1 23 23 ILE C C 13 178.8740 . . 1 . . . . . . . . 6167 1 219 . 1 1 23 23 ILE CB C 13 38.5190 . . 1 . . . . . . . . 6167 1 220 . 1 1 23 23 ILE HB H 1 1.944 . . 1 . . . . . . . . 6167 1 221 . 1 1 23 23 ILE CG2 C 13 16.91 . . 1 . . . . . . . . 6167 1 222 . 1 1 23 23 ILE HG21 H 1 0.993 . . 1 . . . . . . . . 6167 1 223 . 1 1 23 23 ILE HG22 H 1 0.993 . . 1 . . . . . . . . 6167 1 224 . 1 1 23 23 ILE HG23 H 1 0.993 . . 1 . . . . . . . . 6167 1 225 . 1 1 23 23 ILE CG1 C 13 29.25 . . 1 . . . . . . . . 6167 1 226 . 1 1 23 23 ILE HG13 H 1 1.414 . . 2 . . . . . . . . 6167 1 227 . 1 1 23 23 ILE CD1 C 13 13.75 . . 1 . . . . . . . . 6167 1 228 . 1 1 23 23 ILE HD11 H 1 0.927 . . 1 . . . . . . . . 6167 1 229 . 1 1 23 23 ILE HD12 H 1 0.927 . . 1 . . . . . . . . 6167 1 230 . 1 1 23 23 ILE HD13 H 1 0.927 . . 1 . . . . . . . . 6167 1 231 . 1 1 23 23 ILE HG12 H 1 1.947 . . 2 . . . . . . . . 6167 1 232 . 1 1 24 24 LEU H H 1 7.7070 . . 1 . . . . . . . . 6167 1 233 . 1 1 24 24 LEU N N 15 118.2200 . . 1 . . . . . . . . 6167 1 234 . 1 1 24 24 LEU CA C 13 56.75 . . 1 . . . . . . . . 6167 1 235 . 1 1 24 24 LEU HA H 1 3.848 . . 1 . . . . . . . . 6167 1 236 . 1 1 24 24 LEU C C 13 177.9870 . . 1 . . . . . . . . 6167 1 237 . 1 1 24 24 LEU CB C 13 41.784 . . 1 . . . . . . . . 6167 1 238 . 1 1 24 24 LEU HB3 H 1 1.151 . . 2 . . . . . . . . 6167 1 239 . 1 1 24 24 LEU CG C 13 26.38 . . 1 . . . . . . . . 6167 1 240 . 1 1 24 24 LEU CD1 C 13 24.344 . . 2 . . . . . . . . 6167 1 241 . 1 1 24 24 LEU HD11 H 1 0.735 . . 2 . . . . . . . . 6167 1 242 . 1 1 24 24 LEU HD12 H 1 0.735 . . 2 . . . . . . . . 6167 1 243 . 1 1 24 24 LEU HD13 H 1 0.735 . . 2 . . . . . . . . 6167 1 244 . 1 1 24 24 LEU CD2 C 13 24.096 . . 2 . . . . . . . . 6167 1 245 . 1 1 24 24 LEU HD21 H 1 0.666 . . 2 . . . . . . . . 6167 1 246 . 1 1 24 24 LEU HD22 H 1 0.666 . . 2 . . . . . . . . 6167 1 247 . 1 1 24 24 LEU HD23 H 1 0.666 . . 2 . . . . . . . . 6167 1 248 . 1 1 24 24 LEU HG H 1 1.206 . . 1 . . . . . . . . 6167 1 249 . 1 1 24 24 LEU HB2 H 1 1.436 . . 2 . . . . . . . . 6167 1 250 . 1 1 25 25 HIS H H 1 6.8640 . . 1 . . . . . . . . 6167 1 251 . 1 1 25 25 HIS N N 15 113.1480 . . 1 . . . . . . . . 6167 1 252 . 1 1 25 25 HIS CA C 13 57.7670 . . 1 . . . . . . . . 6167 1 253 . 1 1 25 25 HIS HA H 1 4.214 . . 1 . . . . . . . . 6167 1 254 . 1 1 25 25 HIS C C 13 173.7770 . . 1 . . . . . . . . 6167 1 255 . 1 1 25 25 HIS CB C 13 29.9040 . . 1 . . . . . . . . 6167 1 256 . 1 1 25 25 HIS CD2 C 13 119.816 . . 1 . . . . . . . . 6167 1 257 . 1 1 25 25 HIS HD2 H 1 7.095 . . 1 . . . . . . . . 6167 1 258 . 1 1 25 25 HIS HB2 H 1 2.072 . . 1 . . . . . . . . 6167 1 259 . 1 1 26 26 ASP H H 1 7.3660 . . 1 . . . . . . . . 6167 1 260 . 1 1 26 26 ASP N N 15 122.2690 . . 1 . . . . . . . . 6167 1 261 . 1 1 26 26 ASP CA C 13 52.1360 . . 1 . . . . . . . . 6167 1 262 . 1 1 26 26 ASP HA H 1 4.392 . . 1 . . . . . . . . 6167 1 263 . 1 1 26 26 ASP C C 13 177.4550 . . 1 . . . . . . . . 6167 1 264 . 1 1 26 26 ASP CB C 13 38.1 . . 1 . . . . . . . . 6167 1 265 . 1 1 26 26 ASP HB3 H 1 1.879 . . 2 . . . . . . . . 6167 1 266 . 1 1 26 26 ASP HB2 H 1 2.794 . . 2 . . . . . . . . 6167 1 267 . 1 1 27 27 ILE H H 1 7.2070 . . 1 . . . . . . . . 6167 1 268 . 1 1 27 27 ILE N N 15 122.8570 . . 1 . . . . . . . . 6167 1 269 . 1 1 27 27 ILE CA C 13 63.78 . . 1 . . . . . . . . 6167 1 270 . 1 1 27 27 ILE HA H 1 3.68 . . 1 . . . . . . . . 6167 1 271 . 1 1 27 27 ILE C C 13 177.4630 . . 1 . . . . . . . . 6167 1 272 . 1 1 27 27 ILE CB C 13 37.2740 . . 1 . . . . . . . . 6167 1 273 . 1 1 27 27 ILE HB H 1 1.987 . . 1 . . . . . . . . 6167 1 274 . 1 1 27 27 ILE CG2 C 13 17.39 . . 1 . . . . . . . . 6167 1 275 . 1 1 27 27 ILE HG21 H 1 0.933 . . 1 . . . . . . . . 6167 1 276 . 1 1 27 27 ILE HG22 H 1 0.933 . . 1 . . . . . . . . 6167 1 277 . 1 1 27 27 ILE HG23 H 1 0.933 . . 1 . . . . . . . . 6167 1 278 . 1 1 27 27 ILE CG1 C 13 27.808 . . 1 . . . . . . . . 6167 1 279 . 1 1 27 27 ILE HG13 H 1 1.381 . . 2 . . . . . . . . 6167 1 280 . 1 1 27 27 ILE CD1 C 13 11.67 . . 1 . . . . . . . . 6167 1 281 . 1 1 27 27 ILE HD11 H 1 0.862 . . 1 . . . . . . . . 6167 1 282 . 1 1 27 27 ILE HD12 H 1 0.862 . . 1 . . . . . . . . 6167 1 283 . 1 1 27 27 ILE HD13 H 1 0.862 . . 1 . . . . . . . . 6167 1 284 . 1 1 27 27 ILE HG12 H 1 1.57 . . 2 . . . . . . . . 6167 1 285 . 1 1 28 28 ASN H H 1 7.8150 . . 1 . . . . . . . . 6167 1 286 . 1 1 28 28 ASN N N 15 114.3420 . . 1 . . . . . . . . 6167 1 287 . 1 1 28 28 ASN CA C 13 51.5140 . . 1 . . . . . . . . 6167 1 288 . 1 1 28 28 ASN HA H 1 4.784 . . 1 . . . . . . . . 6167 1 289 . 1 1 28 28 ASN C C 13 174.8020 . . 1 . . . . . . . . 6167 1 290 . 1 1 28 28 ASN CB C 13 37.1580 . . 1 . . . . . . . . 6167 1 291 . 1 1 28 28 ASN HB3 H 1 2.766 . . 2 . . . . . . . . 6167 1 292 . 1 1 28 28 ASN ND2 N 15 112.36 . . 1 . . . . . . . . 6167 1 293 . 1 1 28 28 ASN HD21 H 1 7.783 . . 2 . . . . . . . . 6167 1 294 . 1 1 28 28 ASN HD22 H 1 6.709 . . 2 . . . . . . . . 6167 1 295 . 1 1 28 28 ASN HB2 H 1 3.287 . . 2 . . . . . . . . 6167 1 296 . 1 1 29 29 SER H H 1 7.8160 . . 1 . . . . . . . . 6167 1 297 . 1 1 29 29 SER N N 15 111.9930 . . 1 . . . . . . . . 6167 1 298 . 1 1 29 29 SER CA C 13 58.9840 . . 1 . . . . . . . . 6167 1 299 . 1 1 29 29 SER HA H 1 4.020 . . 1 . . . . . . . . 6167 1 300 . 1 1 29 29 SER C C 13 174.0370 . . 1 . . . . . . . . 6167 1 301 . 1 1 29 29 SER CB C 13 61.7130 . . 1 . . . . . . . . 6167 1 302 . 1 1 29 29 SER HB3 H 1 3.850 . . 2 . . . . . . . . 6167 1 303 . 1 1 29 29 SER HB2 H 1 4.094 . . 2 . . . . . . . . 6167 1 304 . 1 1 30 30 ASP H H 1 8.2240 . . 1 . . . . . . . . 6167 1 305 . 1 1 30 30 ASP N N 15 118.1340 . . 1 . . . . . . . . 6167 1 306 . 1 1 30 30 ASP CA C 13 52.6870 . . 1 . . . . . . . . 6167 1 307 . 1 1 30 30 ASP HA H 1 4.710 . . 1 . . . . . . . . 6167 1 308 . 1 1 30 30 ASP C C 13 178.0890 . . 1 . . . . . . . . 6167 1 309 . 1 1 30 30 ASP CB C 13 40.6 . . 1 . . . . . . . . 6167 1 310 . 1 1 30 30 ASP HB3 H 1 2.402 . . 2 . . . . . . . . 6167 1 311 . 1 1 30 30 ASP HB2 H 1 3.096 . . 2 . . . . . . . . 6167 1 312 . 1 1 31 31 GLY H H 1 10.5890 . . 1 . . . . . . . . 6167 1 313 . 1 1 31 31 GLY N N 15 112.5070 . . 1 . . . . . . . . 6167 1 314 . 1 1 31 31 GLY CA C 13 45.5650 . . 1 . . . . . . . . 6167 1 315 . 1 1 31 31 GLY HA3 H 1 3.694 . . 2 . . . . . . . . 6167 1 316 . 1 1 31 31 GLY C C 13 173.7380 . . 1 . . . . . . . . 6167 1 317 . 1 1 31 31 GLY HA2 H 1 4.374 . . 2 . . . . . . . . 6167 1 318 . 1 1 32 32 VAL H H 1 7.9320 . . 1 . . . . . . . . 6167 1 319 . 1 1 32 32 VAL N N 15 114.1340 . . 1 . . . . . . . . 6167 1 320 . 1 1 32 32 VAL CA C 13 58.93 . . 1 . . . . . . . . 6167 1 321 . 1 1 32 32 VAL HA H 1 5.240 . . 1 . . . . . . . . 6167 1 322 . 1 1 32 32 VAL C C 13 174.5720 . . 1 . . . . . . . . 6167 1 323 . 1 1 32 32 VAL CB C 13 36.28 . . 1 . . . . . . . . 6167 1 324 . 1 1 32 32 VAL HB H 1 1.852 . . 1 . . . . . . . . 6167 1 325 . 1 1 32 32 VAL CG1 C 13 22.775 . . 2 . . . . . . . . 6167 1 326 . 1 1 32 32 VAL HG11 H 1 0.882 . . 2 . . . . . . . . 6167 1 327 . 1 1 32 32 VAL HG12 H 1 0.882 . . 2 . . . . . . . . 6167 1 328 . 1 1 32 32 VAL HG13 H 1 0.882 . . 2 . . . . . . . . 6167 1 329 . 1 1 32 32 VAL CG2 C 13 20.307 . . 2 . . . . . . . . 6167 1 330 . 1 1 32 32 VAL HG21 H 1 0.845 . . 2 . . . . . . . . 6167 1 331 . 1 1 32 32 VAL HG22 H 1 0.845 . . 2 . . . . . . . . 6167 1 332 . 1 1 32 32 VAL HG23 H 1 0.845 . . 2 . . . . . . . . 6167 1 333 . 1 1 33 33 LEU H H 1 9.4830 . . 1 . . . . . . . . 6167 1 334 . 1 1 33 33 LEU N N 15 124.9480 . . 1 . . . . . . . . 6167 1 335 . 1 1 33 33 LEU CA C 13 52.698 . . 1 . . . . . . . . 6167 1 336 . 1 1 33 33 LEU HA H 1 5.382 . . 1 . . . . . . . . 6167 1 337 . 1 1 33 33 LEU C C 13 176.0850 . . 1 . . . . . . . . 6167 1 338 . 1 1 33 33 LEU CB C 13 42.0650 . . 1 . . . . . . . . 6167 1 339 . 1 1 33 33 LEU HB3 H 1 0.928 . . 2 . . . . . . . . 6167 1 340 . 1 1 33 33 LEU CG C 13 25.54 . . 1 . . . . . . . . 6167 1 341 . 1 1 33 33 LEU CD1 C 13 25.33 . . 2 . . . . . . . . 6167 1 342 . 1 1 33 33 LEU HD11 H 1 0.244 . . 2 . . . . . . . . 6167 1 343 . 1 1 33 33 LEU HD12 H 1 0.244 . . 2 . . . . . . . . 6167 1 344 . 1 1 33 33 LEU HD13 H 1 0.244 . . 2 . . . . . . . . 6167 1 345 . 1 1 33 33 LEU CD2 C 13 22.19 . . 2 . . . . . . . . 6167 1 346 . 1 1 33 33 LEU HD21 H 1 0.060 . . 2 . . . . . . . . 6167 1 347 . 1 1 33 33 LEU HD22 H 1 0.060 . . 2 . . . . . . . . 6167 1 348 . 1 1 33 33 LEU HD23 H 1 0.060 . . 2 . . . . . . . . 6167 1 349 . 1 1 33 33 LEU HG H 1 1.057 . . 1 . . . . . . . . 6167 1 350 . 1 1 33 33 LEU HB2 H 1 1.818 . . 2 . . . . . . . . 6167 1 351 . 1 1 34 34 ASP H H 1 8.6190 . . 1 . . . . . . . . 6167 1 352 . 1 1 34 34 ASP N N 15 123.5900 . . 1 . . . . . . . . 6167 1 353 . 1 1 34 34 ASP CA C 13 51.48 . . 1 . . . . . . . . 6167 1 354 . 1 1 34 34 ASP HA H 1 4.959 . . 1 . . . . . . . . 6167 1 355 . 1 1 34 34 ASP C C 13 175.8680 . . 1 . . . . . . . . 6167 1 356 . 1 1 34 34 ASP CB C 13 41.88 . . 1 . . . . . . . . 6167 1 357 . 1 1 34 34 ASP HB3 H 1 2.502 . . 2 . . . . . . . . 6167 1 358 . 1 1 34 34 ASP HB2 H 1 3.339 . . 2 . . . . . . . . 6167 1 359 . 1 1 35 35 GLU H H 1 8.6510 . . 1 . . . . . . . . 6167 1 360 . 1 1 35 35 GLU N N 15 115.5820 . . 1 . . . . . . . . 6167 1 361 . 1 1 35 35 GLU CA C 13 60.9100 . . 1 . . . . . . . . 6167 1 362 . 1 1 35 35 GLU HA H 1 3.952 . . 1 . . . . . . . . 6167 1 363 . 1 1 35 35 GLU C C 13 178.7580 . . 1 . . . . . . . . 6167 1 364 . 1 1 35 35 GLU CB C 13 30.2700 . . 1 . . . . . . . . 6167 1 365 . 1 1 35 35 GLU HB3 H 1 2.148 . . 2 . . . . . . . . 6167 1 366 . 1 1 35 35 GLU CG C 13 37.23 . . 1 . . . . . . . . 6167 1 367 . 1 1 35 35 GLU HG3 H 1 2.329 . . 2 . . . . . . . . 6167 1 368 . 1 1 35 35 GLU HB2 H 1 2.199 . . 2 . . . . . . . . 6167 1 369 . 1 1 35 35 GLU HG2 H 1 2.543 . . 2 . . . . . . . . 6167 1 370 . 1 1 36 36 GLN H H 1 8.0310 . . 1 . . . . . . . . 6167 1 371 . 1 1 36 36 GLN N N 15 117.9620 . . 1 . . . . . . . . 6167 1 372 . 1 1 36 36 GLN CA C 13 59.25 . . 1 . . . . . . . . 6167 1 373 . 1 1 36 36 GLN HA H 1 4.133 . . 1 . . . . . . . . 6167 1 374 . 1 1 36 36 GLN C C 13 179.9140 . . 1 . . . . . . . . 6167 1 375 . 1 1 36 36 GLN CB C 13 28.1100 . . 1 . . . . . . . . 6167 1 376 . 1 1 36 36 GLN HB3 H 1 2.171 . . 2 . . . . . . . . 6167 1 377 . 1 1 36 36 GLN CG C 13 34.44 . . 1 . . . . . . . . 6167 1 378 . 1 1 36 36 GLN NE2 N 15 112.20 . . 1 . . . . . . . . 6167 1 379 . 1 1 36 36 GLN HE21 H 1 7.601 . . 2 . . . . . . . . 6167 1 380 . 1 1 36 36 GLN HE22 H 1 6.813 . . 2 . . . . . . . . 6167 1 381 . 1 1 36 36 GLN HB2 H 1 2.26 . . 2 . . . . . . . . 6167 1 382 . 1 1 36 36 GLN HG2 H 1 2.428 . . 1 . . . . . . . . 6167 1 383 . 1 1 37 37 GLU H H 1 8.6930 . . 1 . . . . . . . . 6167 1 384 . 1 1 37 37 GLU N N 15 122.6510 . . 1 . . . . . . . . 6167 1 385 . 1 1 37 37 GLU CA C 13 58.6700 . . 1 . . . . . . . . 6167 1 386 . 1 1 37 37 GLU HA H 1 4.082 . . 1 . . . . . . . . 6167 1 387 . 1 1 37 37 GLU C C 13 180.9700 . . 1 . . . . . . . . 6167 1 388 . 1 1 37 37 GLU CB C 13 29.8280 . . 1 . . . . . . . . 6167 1 389 . 1 1 37 37 GLU HB3 H 1 1.953 . . 2 . . . . . . . . 6167 1 390 . 1 1 37 37 GLU CG C 13 36.792 . . 1 . . . . . . . . 6167 1 391 . 1 1 37 37 GLU HG3 H 1 2.22 . . 2 . . . . . . . . 6167 1 392 . 1 1 37 37 GLU HB2 H 1 2.38 . . 2 . . . . . . . . 6167 1 393 . 1 1 37 37 GLU HG2 H 1 2.849 . . 2 . . . . . . . . 6167 1 394 . 1 1 38 38 LEU H H 1 8.9080 . . 1 . . . . . . . . 6167 1 395 . 1 1 38 38 LEU N N 15 121.1250 . . 1 . . . . . . . . 6167 1 396 . 1 1 38 38 LEU CA C 13 57.57 . . 1 . . . . . . . . 6167 1 397 . 1 1 38 38 LEU HA H 1 3.674 . . 1 . . . . . . . . 6167 1 398 . 1 1 38 38 LEU C C 13 176.9350 . . 1 . . . . . . . . 6167 1 399 . 1 1 38 38 LEU CB C 13 41.7 . . 1 . . . . . . . . 6167 1 400 . 1 1 38 38 LEU HB3 H 1 1.185 . . 2 . . . . . . . . 6167 1 401 . 1 1 38 38 LEU CG C 13 27.02 . . 1 . . . . . . . . 6167 1 402 . 1 1 38 38 LEU CD1 C 13 23.876 . . 2 . . . . . . . . 6167 1 403 . 1 1 38 38 LEU HD11 H 1 0.834 . . 2 . . . . . . . . 6167 1 404 . 1 1 38 38 LEU HD12 H 1 0.834 . . 2 . . . . . . . . 6167 1 405 . 1 1 38 38 LEU HD13 H 1 0.834 . . 2 . . . . . . . . 6167 1 406 . 1 1 38 38 LEU CD2 C 13 25.925 . . 2 . . . . . . . . 6167 1 407 . 1 1 38 38 LEU HD21 H 1 0.830 . . 2 . . . . . . . . 6167 1 408 . 1 1 38 38 LEU HD22 H 1 0.830 . . 2 . . . . . . . . 6167 1 409 . 1 1 38 38 LEU HD23 H 1 0.830 . . 2 . . . . . . . . 6167 1 410 . 1 1 38 38 LEU HG H 1 1.539 . . 1 . . . . . . . . 6167 1 411 . 1 1 38 38 LEU HB2 H 1 1.857 . . 2 . . . . . . . . 6167 1 412 . 1 1 39 39 GLU H H 1 7.8270 . . 1 . . . . . . . . 6167 1 413 . 1 1 39 39 GLU N N 15 116.2290 . . 1 . . . . . . . . 6167 1 414 . 1 1 39 39 GLU CA C 13 59.22 . . 1 . . . . . . . . 6167 1 415 . 1 1 39 39 GLU HA H 1 3.921 . . 1 . . . . . . . . 6167 1 416 . 1 1 39 39 GLU C C 13 179.6310 . . 1 . . . . . . . . 6167 1 417 . 1 1 39 39 GLU CB C 13 28.9640 . . 1 . . . . . . . . 6167 1 418 . 1 1 39 39 GLU CG C 13 36.032 . . 1 . . . . . . . . 6167 1 419 . 1 1 39 39 GLU HB2 H 1 2.132 . . 1 . . . . . . . . 6167 1 420 . 1 1 39 39 GLU HG2 H 1 2.507 . . 1 . . . . . . . . 6167 1 421 . 1 1 40 40 ALA H H 1 7.5500 . . 1 . . . . . . . . 6167 1 422 . 1 1 40 40 ALA N N 15 120.4720 . . 1 . . . . . . . . 6167 1 423 . 1 1 40 40 ALA CA C 13 54.74 . . 1 . . . . . . . . 6167 1 424 . 1 1 40 40 ALA HA H 1 4.208 . . 1 . . . . . . . . 6167 1 425 . 1 1 40 40 ALA C C 13 179.7800 . . 1 . . . . . . . . 6167 1 426 . 1 1 40 40 ALA CB C 13 18.135 . . 1 . . . . . . . . 6167 1 427 . 1 1 40 40 ALA HB1 H 1 1.538 . . 1 . . . . . . . . 6167 1 428 . 1 1 40 40 ALA HB2 H 1 1.538 . . 1 . . . . . . . . 6167 1 429 . 1 1 40 40 ALA HB3 H 1 1.538 . . 1 . . . . . . . . 6167 1 430 . 1 1 41 41 LEU H H 1 7.5610 . . 1 . . . . . . . . 6167 1 431 . 1 1 41 41 LEU N N 15 122.0020 . . 1 . . . . . . . . 6167 1 432 . 1 1 41 41 LEU CA C 13 59.09 . . 1 . . . . . . . . 6167 1 433 . 1 1 41 41 LEU HA H 1 3.911 . . 1 . . . . . . . . 6167 1 434 . 1 1 41 41 LEU C C 13 178.8350 . . 1 . . . . . . . . 6167 1 435 . 1 1 41 41 LEU CB C 13 41.619 . . 1 . . . . . . . . 6167 1 436 . 1 1 41 41 LEU HB3 H 1 1.384 . . 2 . . . . . . . . 6167 1 437 . 1 1 41 41 LEU CG C 13 26.94 . . 1 . . . . . . . . 6167 1 438 . 1 1 41 41 LEU CD1 C 13 24.878 . . 2 . . . . . . . . 6167 1 439 . 1 1 41 41 LEU HD11 H 1 0.734 . . 2 . . . . . . . . 6167 1 440 . 1 1 41 41 LEU HD12 H 1 0.734 . . 2 . . . . . . . . 6167 1 441 . 1 1 41 41 LEU HD13 H 1 0.734 . . 2 . . . . . . . . 6167 1 442 . 1 1 41 41 LEU CD2 C 13 26.003 . . 2 . . . . . . . . 6167 1 443 . 1 1 41 41 LEU HD21 H 1 0.437 . . 2 . . . . . . . . 6167 1 444 . 1 1 41 41 LEU HD22 H 1 0.437 . . 2 . . . . . . . . 6167 1 445 . 1 1 41 41 LEU HD23 H 1 0.437 . . 2 . . . . . . . . 6167 1 446 . 1 1 41 41 LEU HG H 1 1.125 . . 1 . . . . . . . . 6167 1 447 . 1 1 41 41 LEU HB2 H 1 1.824 . . 2 . . . . . . . . 6167 1 448 . 1 1 42 42 PHE H H 1 8.5180 . . 1 . . . . . . . . 6167 1 449 . 1 1 42 42 PHE N N 15 118.0200 . . 1 . . . . . . . . 6167 1 450 . 1 1 42 42 PHE CA C 13 58.62 . . 1 . . . . . . . . 6167 1 451 . 1 1 42 42 PHE HA H 1 4.518 . . 1 . . . . . . . . 6167 1 452 . 1 1 42 42 PHE C C 13 178.2740 . . 1 . . . . . . . . 6167 1 453 . 1 1 42 42 PHE CB C 13 37.2490 . . 1 . . . . . . . . 6167 1 454 . 1 1 42 42 PHE CD1 C 13 131.5 . . 1 . . . . . . . . 6167 1 455 . 1 1 42 42 PHE HD1 H 1 7.264 . . 1 . . . . . . . . 6167 1 456 . 1 1 42 42 PHE CD2 C 13 131.5 . . 1 . . . . . . . . 6167 1 457 . 1 1 42 42 PHE HD2 H 1 7.264 . . 1 . . . . . . . . 6167 1 458 . 1 1 42 42 PHE CE1 C 13 130.62 . . 1 . . . . . . . . 6167 1 459 . 1 1 42 42 PHE HE1 H 1 7.228 . . 1 . . . . . . . . 6167 1 460 . 1 1 42 42 PHE CE2 C 13 130.62 . . 1 . . . . . . . . 6167 1 461 . 1 1 42 42 PHE HE2 H 1 7.228 . . 1 . . . . . . . . 6167 1 462 . 1 1 42 42 PHE CZ C 13 128.55 . . 1 . . . . . . . . 6167 1 463 . 1 1 42 42 PHE HZ H 1 7.091 . . 1 . . . . . . . . 6167 1 464 . 1 1 42 42 PHE HB2 H 1 3.366 . . 1 . . . . . . . . 6167 1 465 . 1 1 43 43 THR H H 1 8.3710 . . 1 . . . . . . . . 6167 1 466 . 1 1 43 43 THR N N 15 115.0950 . . 1 . . . . . . . . 6167 1 467 . 1 1 43 43 THR CA C 13 67.1960 . . 1 . . . . . . . . 6167 1 468 . 1 1 43 43 THR HA H 1 3.931 . . 1 . . . . . . . . 6167 1 469 . 1 1 43 43 THR C C 13 175.4070 . . 1 . . . . . . . . 6167 1 470 . 1 1 43 43 THR CB C 13 69.0890 . . 1 . . . . . . . . 6167 1 471 . 1 1 43 43 THR HB H 1 4.396 . . 1 . . . . . . . . 6167 1 472 . 1 1 43 43 THR CG2 C 13 22.341 . . 1 . . . . . . . . 6167 1 473 . 1 1 43 43 THR HG21 H 1 1.267 . . 1 . . . . . . . . 6167 1 474 . 1 1 43 43 THR HG22 H 1 1.267 . . 1 . . . . . . . . 6167 1 475 . 1 1 43 43 THR HG23 H 1 1.267 . . 1 . . . . . . . . 6167 1 476 . 1 1 44 44 LYS H H 1 7.9810 . . 1 . . . . . . . . 6167 1 477 . 1 1 44 44 LYS N N 15 120.0940 . . 1 . . . . . . . . 6167 1 478 . 1 1 44 44 LYS CA C 13 59.1780 . . 1 . . . . . . . . 6167 1 479 . 1 1 44 44 LYS HA H 1 4.138 . . 1 . . . . . . . . 6167 1 480 . 1 1 44 44 LYS C C 13 179.6370 . . 1 . . . . . . . . 6167 1 481 . 1 1 44 44 LYS CB C 13 32.4670 . . 1 . . . . . . . . 6167 1 482 . 1 1 44 44 LYS CG C 13 25.374 . . 1 . . . . . . . . 6167 1 483 . 1 1 44 44 LYS CD C 13 29.067 . . 1 . . . . . . . . 6167 1 484 . 1 1 44 44 LYS CE C 13 41.99 . . 1 . . . . . . . . 6167 1 485 . 1 1 44 44 LYS HB2 H 1 2.051 . . 1 . . . . . . . . 6167 1 486 . 1 1 44 44 LYS HG2 H 1 1.659 . . 1 . . . . . . . . 6167 1 487 . 1 1 44 44 LYS HD2 H 1 1.793 . . 1 . . . . . . . . 6167 1 488 . 1 1 44 44 LYS HE2 H 1 2.992 . . 1 . . . . . . . . 6167 1 489 . 1 1 45 45 GLU H H 1 8.2930 . . 1 . . . . . . . . 6167 1 490 . 1 1 45 45 GLU N N 15 117.3090 . . 1 . . . . . . . . 6167 1 491 . 1 1 45 45 GLU CA C 13 58.6380 . . 1 . . . . . . . . 6167 1 492 . 1 1 45 45 GLU HA H 1 4.262 . . 1 . . . . . . . . 6167 1 493 . 1 1 45 45 GLU C C 13 179.5040 . . 1 . . . . . . . . 6167 1 494 . 1 1 45 45 GLU CB C 13 29.6650 . . 1 . . . . . . . . 6167 1 495 . 1 1 45 45 GLU CG C 13 36.491 . . 1 . . . . . . . . 6167 1 496 . 1 1 45 45 GLU HG3 H 1 2.364 . . 2 . . . . . . . . 6167 1 497 . 1 1 45 45 GLU HB2 H 1 2.178 . . 1 . . . . . . . . 6167 1 498 . 1 1 45 45 GLU HG2 H 1 2.527 . . 2 . . . . . . . . 6167 1 499 . 1 1 46 46 LEU H H 1 8.7010 . . 1 . . . . . . . . 6167 1 500 . 1 1 46 46 LEU N N 15 119.8120 . . 1 . . . . . . . . 6167 1 501 . 1 1 46 46 LEU CA C 13 57.6990 . . 1 . . . . . . . . 6167 1 502 . 1 1 46 46 LEU HA H 1 4.291 . . 1 . . . . . . . . 6167 1 503 . 1 1 46 46 LEU C C 13 179.5120 . . 1 . . . . . . . . 6167 1 504 . 1 1 46 46 LEU CB C 13 42.1330 . . 1 . . . . . . . . 6167 1 505 . 1 1 46 46 LEU HB3 H 1 1.574 . . 2 . . . . . . . . 6167 1 506 . 1 1 46 46 LEU CG C 13 27.24 . . 1 . . . . . . . . 6167 1 507 . 1 1 46 46 LEU CD1 C 13 23.99 . . 2 . . . . . . . . 6167 1 508 . 1 1 46 46 LEU HD11 H 1 1.037 . . 2 . . . . . . . . 6167 1 509 . 1 1 46 46 LEU HD12 H 1 1.037 . . 2 . . . . . . . . 6167 1 510 . 1 1 46 46 LEU HD13 H 1 1.037 . . 2 . . . . . . . . 6167 1 511 . 1 1 46 46 LEU CD2 C 13 25.81 . . 2 . . . . . . . . 6167 1 512 . 1 1 46 46 LEU HD21 H 1 0.875 . . 2 . . . . . . . . 6167 1 513 . 1 1 46 46 LEU HD22 H 1 0.875 . . 2 . . . . . . . . 6167 1 514 . 1 1 46 46 LEU HD23 H 1 0.875 . . 2 . . . . . . . . 6167 1 515 . 1 1 46 46 LEU HG H 1 1.977 . . 1 . . . . . . . . 6167 1 516 . 1 1 46 46 LEU HB2 H 1 2.155 . . 2 . . . . . . . . 6167 1 517 . 1 1 47 47 GLU H H 1 8.3520 . . 1 . . . . . . . . 6167 1 518 . 1 1 47 47 GLU N N 15 118.3330 . . 1 . . . . . . . . 6167 1 519 . 1 1 47 47 GLU CA C 13 58.270 . . 1 . . . . . . . . 6167 1 520 . 1 1 47 47 GLU HA H 1 4.367 . . 1 . . . . . . . . 6167 1 521 . 1 1 47 47 GLU C C 13 177.5020 . . 1 . . . . . . . . 6167 1 522 . 1 1 47 47 GLU CB C 13 29.4110 . . 1 . . . . . . . . 6167 1 523 . 1 1 47 47 GLU CG C 13 37.201 . . 1 . . . . . . . . 6167 1 524 . 1 1 47 47 GLU HG3 H 1 2.310 . . 2 . . . . . . . . 6167 1 525 . 1 1 47 47 GLU HB2 H 1 2.156 . . 1 . . . . . . . . 6167 1 526 . 1 1 47 47 GLU HG2 H 1 2.647 . . 2 . . . . . . . . 6167 1 527 . 1 1 48 48 LYS H H 1 7.3960 . . 1 . . . . . . . . 6167 1 528 . 1 1 48 48 LYS N N 15 116.4800 . . 1 . . . . . . . . 6167 1 529 . 1 1 48 48 LYS CA C 13 58.16 . . 1 . . . . . . . . 6167 1 530 . 1 1 48 48 LYS HA H 1 4.260 . . 1 . . . . . . . . 6167 1 531 . 1 1 48 48 LYS C C 13 177.4060 . . 1 . . . . . . . . 6167 1 532 . 1 1 48 48 LYS CB C 13 33.2820 . . 1 . . . . . . . . 6167 1 533 . 1 1 48 48 LYS HB3 H 1 1.97 . . 2 . . . . . . . . 6167 1 534 . 1 1 48 48 LYS CG C 13 25.67 . . 1 . . . . . . . . 6167 1 535 . 1 1 48 48 LYS HG3 H 1 1.516 . . 2 . . . . . . . . 6167 1 536 . 1 1 48 48 LYS CD C 13 29.67 . . 1 . . . . . . . . 6167 1 537 . 1 1 48 48 LYS CE C 13 42.08 . . 1 . . . . . . . . 6167 1 538 . 1 1 48 48 LYS HB2 H 1 1.99 . . 2 . . . . . . . . 6167 1 539 . 1 1 48 48 LYS HG2 H 1 1.783 . . 2 . . . . . . . . 6167 1 540 . 1 1 48 48 LYS HD2 H 1 1.750 . . 1 . . . . . . . . 6167 1 541 . 1 1 48 48 LYS HE2 H 1 2.999 . . 1 . . . . . . . . 6167 1 542 . 1 1 49 49 VAL H H 1 7.4420 . . 1 . . . . . . . . 6167 1 543 . 1 1 49 49 VAL N N 15 114.7650 . . 1 . . . . . . . . 6167 1 544 . 1 1 49 49 VAL CA C 13 62.684 . . 1 . . . . . . . . 6167 1 545 . 1 1 49 49 VAL HA H 1 4.063 . . 1 . . . . . . . . 6167 1 546 . 1 1 49 49 VAL C C 13 175.3330 . . 1 . . . . . . . . 6167 1 547 . 1 1 49 49 VAL CB C 13 33.651 . . 1 . . . . . . . . 6167 1 548 . 1 1 49 49 VAL HB H 1 1.904 . . 1 . . . . . . . . 6167 1 549 . 1 1 49 49 VAL CG1 C 13 20.98 . . 2 . . . . . . . . 6167 1 550 . 1 1 49 49 VAL HG11 H 1 0.845 . . 2 . . . . . . . . 6167 1 551 . 1 1 49 49 VAL HG12 H 1 0.845 . . 2 . . . . . . . . 6167 1 552 . 1 1 49 49 VAL HG13 H 1 0.845 . . 2 . . . . . . . . 6167 1 553 . 1 1 49 49 VAL CG2 C 13 21.23 . . 2 . . . . . . . . 6167 1 554 . 1 1 49 49 VAL HG21 H 1 0.492 . . 2 . . . . . . . . 6167 1 555 . 1 1 49 49 VAL HG22 H 1 0.492 . . 2 . . . . . . . . 6167 1 556 . 1 1 49 49 VAL HG23 H 1 0.492 . . 2 . . . . . . . . 6167 1 557 . 1 1 50 50 TYR H H 1 8.1360 . . 1 . . . . . . . . 6167 1 558 . 1 1 50 50 TYR N N 15 120.4350 . . 1 . . . . . . . . 6167 1 559 . 1 1 50 50 TYR CA C 13 58.1570 . . 1 . . . . . . . . 6167 1 560 . 1 1 50 50 TYR HA H 1 4.577 . . 1 . . . . . . . . 6167 1 561 . 1 1 50 50 TYR C C 13 174.5320 . . 1 . . . . . . . . 6167 1 562 . 1 1 50 50 TYR CB C 13 40.6090 . . 1 . . . . . . . . 6167 1 563 . 1 1 50 50 TYR HB3 H 1 2.883 . . 2 . . . . . . . . 6167 1 564 . 1 1 50 50 TYR CD1 C 13 133.375 . . 1 . . . . . . . . 6167 1 565 . 1 1 50 50 TYR HD1 H 1 7.221 . . 1 . . . . . . . . 6167 1 566 . 1 1 50 50 TYR CD2 C 13 133.375 . . 1 . . . . . . . . 6167 1 567 . 1 1 50 50 TYR HD2 H 1 7.221 . . 1 . . . . . . . . 6167 1 568 . 1 1 50 50 TYR CE1 C 13 117.838 . . 1 . . . . . . . . 6167 1 569 . 1 1 50 50 TYR HE1 H 1 6.741 . . 1 . . . . . . . . 6167 1 570 . 1 1 50 50 TYR CE2 C 13 117.838 . . 1 . . . . . . . . 6167 1 571 . 1 1 50 50 TYR HE2 H 1 6.741 . . 1 . . . . . . . . 6167 1 572 . 1 1 50 50 TYR HB2 H 1 2.978 . . 2 . . . . . . . . 6167 1 573 . 1 1 51 51 ASP H H 1 9.0960 . . 1 . . . . . . . . 6167 1 574 . 1 1 51 51 ASP N N 15 121.3730 . . 1 . . . . . . . . 6167 1 575 . 1 1 51 51 ASP CA C 13 51.41 . . 1 . . . . . . . . 6167 1 576 . 1 1 51 51 ASP HA H 1 5.035 . . 1 . . . . . . . . 6167 1 577 . 1 1 51 51 ASP CB C 13 41.88 . . 1 . . . . . . . . 6167 1 578 . 1 1 51 51 ASP HB3 H 1 2.582 . . 2 . . . . . . . . 6167 1 579 . 1 1 51 51 ASP HB2 H 1 2.911 . . 2 . . . . . . . . 6167 1 580 . 1 1 52 52 PRO CA C 13 63.9190 . . 1 . . . . . . . . 6167 1 581 . 1 1 52 52 PRO HA H 1 4.487 . . 1 . . . . . . . . 6167 1 582 . 1 1 52 52 PRO C C 13 177.4080 . . 1 . . . . . . . . 6167 1 583 . 1 1 52 52 PRO CB C 13 32.44 . . 1 . . . . . . . . 6167 1 584 . 1 1 52 52 PRO HB3 H 1 2.075 . . 2 . . . . . . . . 6167 1 585 . 1 1 52 52 PRO CG C 13 27.44 . . 1 . . . . . . . . 6167 1 586 . 1 1 52 52 PRO CD C 13 50.93 . . 1 . . . . . . . . 6167 1 587 . 1 1 52 52 PRO HD3 H 1 3.699 . . 2 . . . . . . . . 6167 1 588 . 1 1 52 52 PRO HB2 H 1 2.296 . . 2 . . . . . . . . 6167 1 589 . 1 1 52 52 PRO HG2 H 1 2.052 . . 1 . . . . . . . . 6167 1 590 . 1 1 52 52 PRO HD2 H 1 3.97 . . 2 . . . . . . . . 6167 1 591 . 1 1 53 53 LYS H H 1 8.4030 . . 1 . . . . . . . . 6167 1 592 . 1 1 53 53 LYS N N 15 117.8060 . . 1 . . . . . . . . 6167 1 593 . 1 1 53 53 LYS CA C 13 57.16 . . 1 . . . . . . . . 6167 1 594 . 1 1 53 53 LYS HA H 1 4.266 . . 1 . . . . . . . . 6167 1 595 . 1 1 53 53 LYS C C 13 176.9520 . . 1 . . . . . . . . 6167 1 596 . 1 1 53 53 LYS CB C 13 32.25 . . 1 . . . . . . . . 6167 1 597 . 1 1 53 53 LYS CG C 13 24.97 . . 1 . . . . . . . . 6167 1 598 . 1 1 53 53 LYS CD C 13 28.81 . . 1 . . . . . . . . 6167 1 599 . 1 1 53 53 LYS CE C 13 41.65 . . 1 . . . . . . . . 6167 1 600 . 1 1 53 53 LYS HB2 H 1 1.878 . . 1 . . . . . . . . 6167 1 601 . 1 1 53 53 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 6167 1 602 . 1 1 53 53 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 6167 1 603 . 1 1 53 53 LYS HE2 H 1 3.038 . . 1 . . . . . . . . 6167 1 604 . 1 1 54 54 ASN H H 1 7.7770 . . 1 . . . . . . . . 6167 1 605 . 1 1 54 54 ASN N N 15 116.3320 . . 1 . . . . . . . . 6167 1 606 . 1 1 54 54 ASN CA C 13 53.00 . . 1 . . . . . . . . 6167 1 607 . 1 1 54 54 ASN HA H 1 4.829 . . 1 . . . . . . . . 6167 1 608 . 1 1 54 54 ASN C C 13 175.1370 . . 1 . . . . . . . . 6167 1 609 . 1 1 54 54 ASN CB C 13 39.4990 . . 1 . . . . . . . . 6167 1 610 . 1 1 54 54 ASN HB3 H 1 2.797 . . 2 . . . . . . . . 6167 1 611 . 1 1 54 54 ASN ND2 N 15 114.55 . . 1 . . . . . . . . 6167 1 612 . 1 1 54 54 ASN HD21 H 1 8.065 . . 2 . . . . . . . . 6167 1 613 . 1 1 54 54 ASN HD22 H 1 6.950 . . 2 . . . . . . . . 6167 1 614 . 1 1 54 54 ASN HB2 H 1 3.010 . . 2 . . . . . . . . 6167 1 615 . 1 1 55 55 GLU H H 1 8.2860 . . 1 . . . . . . . . 6167 1 616 . 1 1 55 55 GLU N N 15 120.5590 . . 1 . . . . . . . . 6167 1 617 . 1 1 55 55 GLU CA C 13 56.73 . . 1 . . . . . . . . 6167 1 618 . 1 1 55 55 GLU HA H 1 4.436 . . 1 . . . . . . . . 6167 1 619 . 1 1 55 55 GLU C C 13 176.6170 . . 1 . . . . . . . . 6167 1 620 . 1 1 55 55 GLU CB C 13 30.08 . . 1 . . . . . . . . 6167 1 621 . 1 1 55 55 GLU CG C 13 36.30 . . 1 . . . . . . . . 6167 1 622 . 1 1 55 55 GLU HB2 H 1 2.118 . . 1 . . . . . . . . 6167 1 623 . 1 1 55 55 GLU HG2 H 1 2.313 . . 1 . . . . . . . . 6167 1 624 . 1 1 56 56 GLU H H 1 8.6190 . . 1 . . . . . . . . 6167 1 625 . 1 1 56 56 GLU N N 15 122.0130 . . 1 . . . . . . . . 6167 1 626 . 1 1 56 56 GLU CA C 13 58.2630 . . 1 . . . . . . . . 6167 1 627 . 1 1 56 56 GLU HA H 1 4.252 . . 1 . . . . . . . . 6167 1 628 . 1 1 56 56 GLU C C 13 177.7490 . . 1 . . . . . . . . 6167 1 629 . 1 1 56 56 GLU CB C 13 29.8360 . . 1 . . . . . . . . 6167 1 630 . 1 1 56 56 GLU CG C 13 36.247 . . 1 . . . . . . . . 6167 1 631 . 1 1 56 56 GLU HB2 H 1 2.106 . . 1 . . . . . . . . 6167 1 632 . 1 1 56 56 GLU HG2 H 1 2.346 . . 1 . . . . . . . . 6167 1 633 . 1 1 57 57 ASP H H 1 8.4840 . . 1 . . . . . . . . 6167 1 634 . 1 1 57 57 ASP N N 15 119.4070 . . 1 . . . . . . . . 6167 1 635 . 1 1 57 57 ASP CA C 13 55.67 . . 1 . . . . . . . . 6167 1 636 . 1 1 57 57 ASP HA H 1 4.632 . . 1 . . . . . . . . 6167 1 637 . 1 1 57 57 ASP C C 13 176.8220 . . 1 . . . . . . . . 6167 1 638 . 1 1 57 57 ASP CB C 13 40.97 . . 1 . . . . . . . . 6167 1 639 . 1 1 57 57 ASP HB2 H 1 2.785 . . 1 . . . . . . . . 6167 1 640 . 1 1 58 58 ASP H H 1 8.1040 . . 1 . . . . . . . . 6167 1 641 . 1 1 58 58 ASP N N 15 120.2110 . . 1 . . . . . . . . 6167 1 642 . 1 1 58 58 ASP CA C 13 55.6440 . . 1 . . . . . . . . 6167 1 643 . 1 1 58 58 ASP HA H 1 4.63 . . 1 . . . . . . . . 6167 1 644 . 1 1 58 58 ASP C C 13 177.4360 . . 1 . . . . . . . . 6167 1 645 . 1 1 58 58 ASP CB C 13 40.7770 . . 1 . . . . . . . . 6167 1 646 . 1 1 58 58 ASP HB3 H 1 2.776 . . 2 . . . . . . . . 6167 1 647 . 1 1 58 58 ASP HB2 H 1 2.915 . . 2 . . . . . . . . 6167 1 648 . 1 1 59 59 MET H H 1 8.1820 . . 1 . . . . . . . . 6167 1 649 . 1 1 59 59 MET N N 15 119.7640 . . 1 . . . . . . . . 6167 1 650 . 1 1 59 59 MET CA C 13 57.9830 . . 1 . . . . . . . . 6167 1 651 . 1 1 59 59 MET HA H 1 4.23 . . 1 . . . . . . . . 6167 1 652 . 1 1 59 59 MET CB C 13 32.201 . . 1 . . . . . . . . 6167 1 653 . 1 1 59 59 MET CG C 13 32.219 . . 1 . . . . . . . . 6167 1 654 . 1 1 59 59 MET HG3 H 1 2.186 . . 2 . . . . . . . . 6167 1 655 . 1 1 59 59 MET CE C 13 17.75 . . 1 . . . . . . . . 6167 1 656 . 1 1 59 59 MET HE1 H 1 2.131 . . 1 . . . . . . . . 6167 1 657 . 1 1 59 59 MET HE2 H 1 2.131 . . 1 . . . . . . . . 6167 1 658 . 1 1 59 59 MET HE3 H 1 2.131 . . 1 . . . . . . . . 6167 1 659 . 1 1 59 59 MET HB2 H 1 2.186 . . 1 . . . . . . . . 6167 1 660 . 1 1 59 59 MET HG2 H 1 2.635 . . 2 . . . . . . . . 6167 1 661 . 1 1 60 60 ARG H H 1 7.9870 . . 1 . . . . . . . . 6167 1 662 . 1 1 60 60 ARG N N 15 119.4160 . . 1 . . . . . . . . 6167 1 663 . 1 1 60 60 ARG CA C 13 59.04 . . 1 . . . . . . . . 6167 1 664 . 1 1 60 60 ARG HA H 1 4.093 . . 1 . . . . . . . . 6167 1 665 . 1 1 60 60 ARG C C 13 178.8610 . . 1 . . . . . . . . 6167 1 666 . 1 1 60 60 ARG CB C 13 29.78 . . 1 . . . . . . . . 6167 1 667 . 1 1 60 60 ARG CG C 13 27.24 . . 1 . . . . . . . . 6167 1 668 . 1 1 60 60 ARG CD C 13 43.14 . . 1 . . . . . . . . 6167 1 669 . 1 1 60 60 ARG HB2 H 1 1.948 . . 1 . . . . . . . . 6167 1 670 . 1 1 60 60 ARG HG2 H 1 1.722 . . 1 . . . . . . . . 6167 1 671 . 1 1 60 60 ARG HD3 H 1 3.266 . . 1 . . . . . . . . 6167 1 672 . 1 1 61 61 GLU H H 1 8.1290 . . 1 . . . . . . . . 6167 1 673 . 1 1 61 61 GLU N N 15 119.2950 . . 1 . . . . . . . . 6167 1 674 . 1 1 61 61 GLU CA C 13 59.1640 . . 1 . . . . . . . . 6167 1 675 . 1 1 61 61 GLU HA H 1 4.004 . . 1 . . . . . . . . 6167 1 676 . 1 1 61 61 GLU C C 13 178.5550 . . 1 . . . . . . . . 6167 1 677 . 1 1 61 61 GLU CB C 13 29.4260 . . 1 . . . . . . . . 6167 1 678 . 1 1 61 61 GLU CG C 13 36.614 . . 1 . . . . . . . . 6167 1 679 . 1 1 61 61 GLU HG3 H 1 2.320 . . 2 . . . . . . . . 6167 1 680 . 1 1 61 61 GLU HB2 H 1 2.027 . . 1 . . . . . . . . 6167 1 681 . 1 1 61 61 GLU HG2 H 1 2.406 . . 2 . . . . . . . . 6167 1 682 . 1 1 62 62 MET H H 1 7.9860 . . 1 . . . . . . . . 6167 1 683 . 1 1 62 62 MET N N 15 119.0490 . . 1 . . . . . . . . 6167 1 684 . 1 1 62 62 MET CA C 13 59.09 . . 1 . . . . . . . . 6167 1 685 . 1 1 62 62 MET HA H 1 3.483 . . 1 . . . . . . . . 6167 1 686 . 1 1 62 62 MET C C 13 177.7220 . . 1 . . . . . . . . 6167 1 687 . 1 1 62 62 MET CB C 13 32.5940 . . 1 . . . . . . . . 6167 1 688 . 1 1 62 62 MET HB3 H 1 1.66 . . 2 . . . . . . . . 6167 1 689 . 1 1 62 62 MET CG C 13 32.557 . . 1 . . . . . . . . 6167 1 690 . 1 1 62 62 MET HG3 H 1 2.326 . . 2 . . . . . . . . 6167 1 691 . 1 1 62 62 MET CE C 13 17.982 . . 1 . . . . . . . . 6167 1 692 . 1 1 62 62 MET HE1 H 1 1.962 . . 1 . . . . . . . . 6167 1 693 . 1 1 62 62 MET HE2 H 1 1.962 . . 1 . . . . . . . . 6167 1 694 . 1 1 62 62 MET HE3 H 1 1.962 . . 1 . . . . . . . . 6167 1 695 . 1 1 62 62 MET HB2 H 1 2.018 . . 2 . . . . . . . . 6167 1 696 . 1 1 62 62 MET HG2 H 1 2.401 . . 2 . . . . . . . . 6167 1 697 . 1 1 63 63 GLU H H 1 7.8090 . . 1 . . . . . . . . 6167 1 698 . 1 1 63 63 GLU N N 15 117.8500 . . 1 . . . . . . . . 6167 1 699 . 1 1 63 63 GLU CA C 13 58.6720 . . 1 . . . . . . . . 6167 1 700 . 1 1 63 63 GLU HA H 1 4.117 . . 1 . . . . . . . . 6167 1 701 . 1 1 63 63 GLU C C 13 179.4360 . . 1 . . . . . . . . 6167 1 702 . 1 1 63 63 GLU CB C 13 28.9450 . . 1 . . . . . . . . 6167 1 703 . 1 1 63 63 GLU CG C 13 35.80 . . 1 . . . . . . . . 6167 1 704 . 1 1 63 63 GLU HB2 H 1 2.129 . . 1 . . . . . . . . 6167 1 705 . 1 1 63 63 GLU HG2 H 1 2.412 . . 1 . . . . . . . . 6167 1 706 . 1 1 64 64 GLU H H 1 7.9880 . . 1 . . . . . . . . 6167 1 707 . 1 1 64 64 GLU N N 15 119.8680 . . 1 . . . . . . . . 6167 1 708 . 1 1 64 64 GLU CA C 13 59.5130 . . 1 . . . . . . . . 6167 1 709 . 1 1 64 64 GLU HA H 1 4.071 . . 1 . . . . . . . . 6167 1 710 . 1 1 64 64 GLU C C 13 179.5030 . . 1 . . . . . . . . 6167 1 711 . 1 1 64 64 GLU CB C 13 29.3090 . . 1 . . . . . . . . 6167 1 712 . 1 1 64 64 GLU HB3 H 1 2.07 . . 2 . . . . . . . . 6167 1 713 . 1 1 64 64 GLU CG C 13 36.43 . . 1 . . . . . . . . 6167 1 714 . 1 1 64 64 GLU HG3 H 1 2.435 . . 2 . . . . . . . . 6167 1 715 . 1 1 64 64 GLU HB2 H 1 2.165 . . 2 . . . . . . . . 6167 1 716 . 1 1 64 64 GLU HG2 H 1 2.289 . . 2 . . . . . . . . 6167 1 717 . 1 1 65 65 GLU H H 1 8.1620 . . 1 . . . . . . . . 6167 1 718 . 1 1 65 65 GLU N N 15 120.4500 . . 1 . . . . . . . . 6167 1 719 . 1 1 65 65 GLU CA C 13 58.9350 . . 1 . . . . . . . . 6167 1 720 . 1 1 65 65 GLU HA H 1 4.189 . . 1 . . . . . . . . 6167 1 721 . 1 1 65 65 GLU C C 13 178.6560 . . 1 . . . . . . . . 6167 1 722 . 1 1 65 65 GLU CB C 13 28.9820 . . 1 . . . . . . . . 6167 1 723 . 1 1 65 65 GLU CG C 13 36.072 . . 1 . . . . . . . . 6167 1 724 . 1 1 65 65 GLU HB2 H 1 2.142 . . 1 . . . . . . . . 6167 1 725 . 1 1 65 65 GLU HG2 H 1 2.427 . . 1 . . . . . . . . 6167 1 726 . 1 1 66 66 ARG H H 1 8.4210 . . 1 . . . . . . . . 6167 1 727 . 1 1 66 66 ARG N N 15 121.0210 . . 1 . . . . . . . . 6167 1 728 . 1 1 66 66 ARG CA C 13 60.60 . . 1 . . . . . . . . 6167 1 729 . 1 1 66 66 ARG HA H 1 3.586 . . 1 . . . . . . . . 6167 1 730 . 1 1 66 66 ARG C C 13 178.0160 . . 1 . . . . . . . . 6167 1 731 . 1 1 66 66 ARG CB C 13 30.62 . . 1 . . . . . . . . 6167 1 732 . 1 1 66 66 ARG CG C 13 27.32 . . 1 . . . . . . . . 6167 1 733 . 1 1 66 66 ARG HG3 H 1 1.446 . . 2 . . . . . . . . 6167 1 734 . 1 1 66 66 ARG CD C 13 43.51 . . 1 . . . . . . . . 6167 1 735 . 1 1 66 66 ARG HB2 H 1 1.975 . . 1 . . . . . . . . 6167 1 736 . 1 1 66 66 ARG HG2 H 1 1.644 . . 2 . . . . . . . . 6167 1 737 . 1 1 66 66 ARG HD3 H 1 3.256 . . 1 . . . . . . . . 6167 1 738 . 1 1 67 67 LEU H H 1 7.6460 . . 1 . . . . . . . . 6167 1 739 . 1 1 67 67 LEU N N 15 117.5070 . . 1 . . . . . . . . 6167 1 740 . 1 1 67 67 LEU CA C 13 58.22 . . 1 . . . . . . . . 6167 1 741 . 1 1 67 67 LEU HA H 1 3.984 . . 1 . . . . . . . . 6167 1 742 . 1 1 67 67 LEU C C 13 179.4590 . . 1 . . . . . . . . 6167 1 743 . 1 1 67 67 LEU CB C 13 41.429 . . 1 . . . . . . . . 6167 1 744 . 1 1 67 67 LEU CG C 13 27.195 . . 1 . . . . . . . . 6167 1 745 . 1 1 67 67 LEU CD1 C 13 24.938 . . 2 . . . . . . . . 6167 1 746 . 1 1 67 67 LEU HD11 H 1 0.963 . . 2 . . . . . . . . 6167 1 747 . 1 1 67 67 LEU HD12 H 1 0.963 . . 2 . . . . . . . . 6167 1 748 . 1 1 67 67 LEU HD13 H 1 0.963 . . 2 . . . . . . . . 6167 1 749 . 1 1 67 67 LEU CD2 C 13 23.939 . . 2 . . . . . . . . 6167 1 750 . 1 1 67 67 LEU HD21 H 1 0.925 . . 2 . . . . . . . . 6167 1 751 . 1 1 67 67 LEU HD22 H 1 0.925 . . 2 . . . . . . . . 6167 1 752 . 1 1 67 67 LEU HD23 H 1 0.925 . . 2 . . . . . . . . 6167 1 753 . 1 1 67 67 LEU HG H 1 1.807 . . 1 . . . . . . . . 6167 1 754 . 1 1 67 67 LEU HB2 H 1 1.750 . . 1 . . . . . . . . 6167 1 755 . 1 1 68 68 ARG H H 1 7.7330 . . 1 . . . . . . . . 6167 1 756 . 1 1 68 68 ARG N N 15 118.9620 . . 1 . . . . . . . . 6167 1 757 . 1 1 68 68 ARG CA C 13 59.5590 . . 1 . . . . . . . . 6167 1 758 . 1 1 68 68 ARG HA H 1 4.042 . . 1 . . . . . . . . 6167 1 759 . 1 1 68 68 ARG C C 13 180.0190 . . 1 . . . . . . . . 6167 1 760 . 1 1 68 68 ARG CB C 13 30.3690 . . 1 . . . . . . . . 6167 1 761 . 1 1 68 68 ARG HB3 H 1 1.864 . . 2 . . . . . . . . 6167 1 762 . 1 1 68 68 ARG CG C 13 28.104 . . 1 . . . . . . . . 6167 1 763 . 1 1 68 68 ARG HG3 H 1 1.588 . . 2 . . . . . . . . 6167 1 764 . 1 1 68 68 ARG CD C 13 43.235 . . 1 . . . . . . . . 6167 1 765 . 1 1 68 68 ARG HB2 H 1 1.992 . . 2 . . . . . . . . 6167 1 766 . 1 1 68 68 ARG HG2 H 1 1.783 . . 2 . . . . . . . . 6167 1 767 . 1 1 68 68 ARG HD2 H 1 3.203 . . 1 . . . . . . . . 6167 1 768 . 1 1 69 69 MET H H 1 8.3200 . . 1 . . . . . . . . 6167 1 769 . 1 1 69 69 MET N N 15 120.5200 . . 1 . . . . . . . . 6167 1 770 . 1 1 69 69 MET CA C 13 59.75 . . 1 . . . . . . . . 6167 1 771 . 1 1 69 69 MET HA H 1 3.89 . . 1 . . . . . . . . 6167 1 772 . 1 1 69 69 MET C C 13 177.2120 . . 1 . . . . . . . . 6167 1 773 . 1 1 69 69 MET CB C 13 32.0680 . . 1 . . . . . . . . 6167 1 774 . 1 1 69 69 MET HB3 H 1 1.257 . . 2 . . . . . . . . 6167 1 775 . 1 1 69 69 MET CG C 13 32.20 . . 1 . . . . . . . . 6167 1 776 . 1 1 69 69 MET CE C 13 17.259 . . 1 . . . . . . . . 6167 1 777 . 1 1 69 69 MET HE1 H 1 2.029 . . 1 . . . . . . . . 6167 1 778 . 1 1 69 69 MET HE2 H 1 2.029 . . 1 . . . . . . . . 6167 1 779 . 1 1 69 69 MET HE3 H 1 2.029 . . 1 . . . . . . . . 6167 1 780 . 1 1 69 69 MET HB2 H 1 1.527 . . 2 . . . . . . . . 6167 1 781 . 1 1 69 69 MET HG2 H 1 2.651 . . 1 . . . . . . . . 6167 1 782 . 1 1 70 70 ARG H H 1 8.0720 . . 1 . . . . . . . . 6167 1 783 . 1 1 70 70 ARG N N 15 119.3120 . . 1 . . . . . . . . 6167 1 784 . 1 1 70 70 ARG CA C 13 60.28 . . 1 . . . . . . . . 6167 1 785 . 1 1 70 70 ARG HA H 1 3.854 . . 1 . . . . . . . . 6167 1 786 . 1 1 70 70 ARG C C 13 178.7670 . . 1 . . . . . . . . 6167 1 787 . 1 1 70 70 ARG CB C 13 30.79 . . 1 . . . . . . . . 6167 1 788 . 1 1 70 70 ARG CG C 13 27.63 . . 1 . . . . . . . . 6167 1 789 . 1 1 70 70 ARG CD C 13 44.07 . . 1 . . . . . . . . 6167 1 790 . 1 1 70 70 ARG HD3 H 1 3.163 . . 2 . . . . . . . . 6167 1 791 . 1 1 70 70 ARG HB2 H 1 1.939 . . 1 . . . . . . . . 6167 1 792 . 1 1 70 70 ARG HG2 H 1 1.791 . . 1 . . . . . . . . 6167 1 793 . 1 1 70 70 ARG HD2 H 1 3.316 . . 2 . . . . . . . . 6167 1 794 . 1 1 71 71 GLU H H 1 8.2780 . . 1 . . . . . . . . 6167 1 795 . 1 1 71 71 GLU N N 15 118.0560 . . 1 . . . . . . . . 6167 1 796 . 1 1 71 71 GLU CA C 13 59.4620 . . 1 . . . . . . . . 6167 1 797 . 1 1 71 71 GLU HA H 1 4.024 . . 1 . . . . . . . . 6167 1 798 . 1 1 71 71 GLU C C 13 178.3120 . . 1 . . . . . . . . 6167 1 799 . 1 1 71 71 GLU CB C 13 29.3980 . . 1 . . . . . . . . 6167 1 800 . 1 1 71 71 GLU CG C 13 36.52 . . 1 . . . . . . . . 6167 1 801 . 1 1 71 71 GLU HG3 H 1 2.247 . . 2 . . . . . . . . 6167 1 802 . 1 1 71 71 GLU HB2 H 1 2.110 . . 1 . . . . . . . . 6167 1 803 . 1 1 71 71 GLU HG2 H 1 2.385 . . 2 . . . . . . . . 6167 1 804 . 1 1 72 72 HIS H H 1 8.0830 . . 1 . . . . . . . . 6167 1 805 . 1 1 72 72 HIS N N 15 118.3720 . . 1 . . . . . . . . 6167 1 806 . 1 1 72 72 HIS CA C 13 59.79 . . 1 . . . . . . . . 6167 1 807 . 1 1 72 72 HIS HA H 1 4.295 . . 1 . . . . . . . . 6167 1 808 . 1 1 72 72 HIS C C 13 178.5560 . . 1 . . . . . . . . 6167 1 809 . 1 1 72 72 HIS CB C 13 30.82 . . 1 . . . . . . . . 6167 1 810 . 1 1 72 72 HIS CD2 C 13 119.816 . . 1 . . . . . . . . 6167 1 811 . 1 1 72 72 HIS HD2 H 1 7.095 . . 1 . . . . . . . . 6167 1 812 . 1 1 72 72 HIS HB2 H 1 3.289 . . 1 . . . . . . . . 6167 1 813 . 1 1 73 73 VAL H H 1 8.2080 . . 1 . . . . . . . . 6167 1 814 . 1 1 73 73 VAL N N 15 118.2260 . . 1 . . . . . . . . 6167 1 815 . 1 1 73 73 VAL CA C 13 66.44 . . 1 . . . . . . . . 6167 1 816 . 1 1 73 73 VAL HA H 1 3.499 . . 1 . . . . . . . . 6167 1 817 . 1 1 73 73 VAL C C 13 178.0790 . . 1 . . . . . . . . 6167 1 818 . 1 1 73 73 VAL CB C 13 31.59 . . 1 . . . . . . . . 6167 1 819 . 1 1 73 73 VAL HB H 1 2.415 . . 1 . . . . . . . . 6167 1 820 . 1 1 73 73 VAL CG1 C 13 24.37 . . 2 . . . . . . . . 6167 1 821 . 1 1 73 73 VAL HG11 H 1 1.330 . . 2 . . . . . . . . 6167 1 822 . 1 1 73 73 VAL HG12 H 1 1.330 . . 2 . . . . . . . . 6167 1 823 . 1 1 73 73 VAL HG13 H 1 1.330 . . 2 . . . . . . . . 6167 1 824 . 1 1 73 73 VAL CG2 C 13 22.49 . . 2 . . . . . . . . 6167 1 825 . 1 1 73 73 VAL HG21 H 1 1.104 . . 2 . . . . . . . . 6167 1 826 . 1 1 73 73 VAL HG22 H 1 1.104 . . 2 . . . . . . . . 6167 1 827 . 1 1 73 73 VAL HG23 H 1 1.104 . . 2 . . . . . . . . 6167 1 828 . 1 1 74 74 MET H H 1 8.4380 . . 1 . . . . . . . . 6167 1 829 . 1 1 74 74 MET N N 15 117.1610 . . 1 . . . . . . . . 6167 1 830 . 1 1 74 74 MET CA C 13 57.65 . . 1 . . . . . . . . 6167 1 831 . 1 1 74 74 MET HA H 1 4.414 . . 1 . . . . . . . . 6167 1 832 . 1 1 74 74 MET C C 13 177.7960 . . 1 . . . . . . . . 6167 1 833 . 1 1 74 74 MET CB C 13 31.62 . . 1 . . . . . . . . 6167 1 834 . 1 1 74 74 MET CG C 13 32.90 . . 1 . . . . . . . . 6167 1 835 . 1 1 74 74 MET CE C 13 17.478 . . 1 . . . . . . . . 6167 1 836 . 1 1 74 74 MET HE1 H 1 2.064 . . 1 . . . . . . . . 6167 1 837 . 1 1 74 74 MET HE2 H 1 2.064 . . 1 . . . . . . . . 6167 1 838 . 1 1 74 74 MET HE3 H 1 2.064 . . 1 . . . . . . . . 6167 1 839 . 1 1 74 74 MET HB2 H 1 2.216 . . 1 . . . . . . . . 6167 1 840 . 1 1 74 74 MET HG2 H 1 2.833 . . 1 . . . . . . . . 6167 1 841 . 1 1 75 75 LYS H H 1 8.2550 . . 1 . . . . . . . . 6167 1 842 . 1 1 75 75 LYS N N 15 114.8420 . . 1 . . . . . . . . 6167 1 843 . 1 1 75 75 LYS CA C 13 58.16 . . 1 . . . . . . . . 6167 1 844 . 1 1 75 75 LYS HA H 1 4.288 . . 1 . . . . . . . . 6167 1 845 . 1 1 75 75 LYS C C 13 177.7530 . . 1 . . . . . . . . 6167 1 846 . 1 1 75 75 LYS CB C 13 33.4760 . . 1 . . . . . . . . 6167 1 847 . 1 1 75 75 LYS HB3 H 1 1.679 . . 2 . . . . . . . . 6167 1 848 . 1 1 75 75 LYS CG C 13 25.251 . . 1 . . . . . . . . 6167 1 849 . 1 1 75 75 LYS HG3 H 1 1.346 . . 2 . . . . . . . . 6167 1 850 . 1 1 75 75 LYS CD C 13 29.03 . . 1 . . . . . . . . 6167 1 851 . 1 1 75 75 LYS CE C 13 42.15 . . 1 . . . . . . . . 6167 1 852 . 1 1 75 75 LYS HB2 H 1 1.804 . . 2 . . . . . . . . 6167 1 853 . 1 1 75 75 LYS HG2 H 1 1.476 . . 2 . . . . . . . . 6167 1 854 . 1 1 75 75 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 6167 1 855 . 1 1 75 75 LYS HE2 H 1 2.954 . . 1 . . . . . . . . 6167 1 856 . 1 1 76 76 ASN H H 1 7.9060 . . 1 . . . . . . . . 6167 1 857 . 1 1 76 76 ASN N N 15 112.2550 . . 1 . . . . . . . . 6167 1 858 . 1 1 76 76 ASN CA C 13 54.1750 . . 1 . . . . . . . . 6167 1 859 . 1 1 76 76 ASN HA H 1 4.814 . . 1 . . . . . . . . 6167 1 860 . 1 1 76 76 ASN C C 13 175.0980 . . 1 . . . . . . . . 6167 1 861 . 1 1 76 76 ASN CB C 13 40.122 . . 1 . . . . . . . . 6167 1 862 . 1 1 76 76 ASN HB3 H 1 2.247 . . 2 . . . . . . . . 6167 1 863 . 1 1 76 76 ASN ND2 N 15 115.16 . . 1 . . . . . . . . 6167 1 864 . 1 1 76 76 ASN HD21 H 1 7.663 . . 2 . . . . . . . . 6167 1 865 . 1 1 76 76 ASN HD22 H 1 7.002 . . 2 . . . . . . . . 6167 1 866 . 1 1 76 76 ASN HB2 H 1 2.557 . . 2 . . . . . . . . 6167 1 867 . 1 1 77 77 VAL H H 1 7.4510 . . 1 . . . . . . . . 6167 1 868 . 1 1 77 77 VAL N N 15 117.7580 . . 1 . . . . . . . . 6167 1 869 . 1 1 77 77 VAL CA C 13 63.87 . . 1 . . . . . . . . 6167 1 870 . 1 1 77 77 VAL HA H 1 4.240 . . 1 . . . . . . . . 6167 1 871 . 1 1 77 77 VAL C C 13 176.8590 . . 1 . . . . . . . . 6167 1 872 . 1 1 77 77 VAL CB C 13 32.67 . . 1 . . . . . . . . 6167 1 873 . 1 1 77 77 VAL HB H 1 2.502 . . 1 . . . . . . . . 6167 1 874 . 1 1 77 77 VAL CG1 C 13 22.31 . . 2 . . . . . . . . 6167 1 875 . 1 1 77 77 VAL HG11 H 1 1.167 . . 2 . . . . . . . . 6167 1 876 . 1 1 77 77 VAL HG12 H 1 1.167 . . 2 . . . . . . . . 6167 1 877 . 1 1 77 77 VAL HG13 H 1 1.167 . . 2 . . . . . . . . 6167 1 878 . 1 1 77 77 VAL CG2 C 13 21.69 . . 2 . . . . . . . . 6167 1 879 . 1 1 77 77 VAL HG21 H 1 0.861 . . 2 . . . . . . . . 6167 1 880 . 1 1 77 77 VAL HG22 H 1 0.861 . . 2 . . . . . . . . 6167 1 881 . 1 1 77 77 VAL HG23 H 1 0.861 . . 2 . . . . . . . . 6167 1 882 . 1 1 78 78 ASP H H 1 8.0180 . . 1 . . . . . . . . 6167 1 883 . 1 1 78 78 ASP N N 15 117.4370 . . 1 . . . . . . . . 6167 1 884 . 1 1 78 78 ASP CA C 13 52.8540 . . 1 . . . . . . . . 6167 1 885 . 1 1 78 78 ASP HA H 1 4.828 . . 1 . . . . . . . . 6167 1 886 . 1 1 78 78 ASP C C 13 177.3170 . . 1 . . . . . . . . 6167 1 887 . 1 1 78 78 ASP CB C 13 39.4410 . . 1 . . . . . . . . 6167 1 888 . 1 1 78 78 ASP HB3 H 1 2.221 . . 2 . . . . . . . . 6167 1 889 . 1 1 78 78 ASP HB2 H 1 2.991 . . 2 . . . . . . . . 6167 1 890 . 1 1 79 79 THR H H 1 8.1640 . . 1 . . . . . . . . 6167 1 891 . 1 1 79 79 THR N N 15 118.8490 . . 1 . . . . . . . . 6167 1 892 . 1 1 79 79 THR CA C 13 65.140 . . 1 . . . . . . . . 6167 1 893 . 1 1 79 79 THR HA H 1 3.989 . . 1 . . . . . . . . 6167 1 894 . 1 1 79 79 THR C C 13 175.7740 . . 1 . . . . . . . . 6167 1 895 . 1 1 79 79 THR CB C 13 69.026 . . 1 . . . . . . . . 6167 1 896 . 1 1 79 79 THR HB H 1 4.309 . . 1 . . . . . . . . 6167 1 897 . 1 1 79 79 THR CG2 C 13 22.560 . . 1 . . . . . . . . 6167 1 898 . 1 1 79 79 THR HG21 H 1 1.255 . . 1 . . . . . . . . 6167 1 899 . 1 1 79 79 THR HG22 H 1 1.255 . . 1 . . . . . . . . 6167 1 900 . 1 1 79 79 THR HG23 H 1 1.255 . . 1 . . . . . . . . 6167 1 901 . 1 1 80 80 ASN H H 1 7.795 . . 1 . . . . . . . . 6167 1 902 . 1 1 80 80 ASN N N 15 115.47 . . 1 . . . . . . . . 6167 1 903 . 1 1 80 80 ASN CA C 13 52.1100 . . 1 . . . . . . . . 6167 1 904 . 1 1 80 80 ASN HA H 1 4.858 . . 1 . . . . . . . . 6167 1 905 . 1 1 80 80 ASN C C 13 174.8400 . . 1 . . . . . . . . 6167 1 906 . 1 1 80 80 ASN CB C 13 36.973 . . 1 . . . . . . . . 6167 1 907 . 1 1 80 80 ASN HB3 H 1 2.811 . . 2 . . . . . . . . 6167 1 908 . 1 1 80 80 ASN ND2 N 15 112.26 . . 1 . . . . . . . . 6167 1 909 . 1 1 80 80 ASN HD21 H 1 7.781 . . 2 . . . . . . . . 6167 1 910 . 1 1 80 80 ASN HD22 H 1 6.605 . . 2 . . . . . . . . 6167 1 911 . 1 1 80 80 ASN HB2 H 1 3.254 . . 2 . . . . . . . . 6167 1 912 . 1 1 81 81 GLN H H 1 7.7580 . . 1 . . . . . . . . 6167 1 913 . 1 1 81 81 GLN N N 15 113.1880 . . 1 . . . . . . . . 6167 1 914 . 1 1 81 81 GLN CA C 13 57.2890 . . 1 . . . . . . . . 6167 1 915 . 1 1 81 81 GLN HA H 1 4.120 . . 1 . . . . . . . . 6167 1 916 . 1 1 81 81 GLN C C 13 174.9250 . . 1 . . . . . . . . 6167 1 917 . 1 1 81 81 GLN CB C 13 26.3370 . . 1 . . . . . . . . 6167 1 918 . 1 1 81 81 GLN CG C 13 34.416 . . 1 . . . . . . . . 6167 1 919 . 1 1 81 81 GLN NE2 N 15 113.64 . . 1 . . . . . . . . 6167 1 920 . 1 1 81 81 GLN HE21 H 1 7.572 . . 2 . . . . . . . . 6167 1 921 . 1 1 81 81 GLN HE22 H 1 6.875 . . 2 . . . . . . . . 6167 1 922 . 1 1 81 81 GLN HB2 H 1 2.216 . . 1 . . . . . . . . 6167 1 923 . 1 1 81 81 GLN HG2 H 1 2.298 . . 1 . . . . . . . . 6167 1 924 . 1 1 82 82 ASP H H 1 8.1550 . . 1 . . . . . . . . 6167 1 925 . 1 1 82 82 ASP N N 15 117.6890 . . 1 . . . . . . . . 6167 1 926 . 1 1 82 82 ASP CA C 13 52.9770 . . 1 . . . . . . . . 6167 1 927 . 1 1 82 82 ASP HA H 1 4.669 . . 1 . . . . . . . . 6167 1 928 . 1 1 82 82 ASP C C 13 176.3730 . . 1 . . . . . . . . 6167 1 929 . 1 1 82 82 ASP CB C 13 40.483 . . 1 . . . . . . . . 6167 1 930 . 1 1 82 82 ASP HB3 H 1 2.374 . . 2 . . . . . . . . 6167 1 931 . 1 1 82 82 ASP HB2 H 1 3.079 . . 2 . . . . . . . . 6167 1 932 . 1 1 83 83 ARG H H 1 10.1770 . . 1 . . . . . . . . 6167 1 933 . 1 1 83 83 ARG N N 15 115.4740 . . 1 . . . . . . . . 6167 1 934 . 1 1 83 83 ARG CA C 13 57.82 . . 1 . . . . . . . . 6167 1 935 . 1 1 83 83 ARG HA H 1 3.614 . . 1 . . . . . . . . 6167 1 936 . 1 1 83 83 ARG C C 13 174.1010 . . 1 . . . . . . . . 6167 1 937 . 1 1 83 83 ARG CB C 13 26.6470 . . 1 . . . . . . . . 6167 1 938 . 1 1 83 83 ARG HB3 H 1 2.051 . . 2 . . . . . . . . 6167 1 939 . 1 1 83 83 ARG CG C 13 28.02 . . 1 . . . . . . . . 6167 1 940 . 1 1 83 83 ARG CD C 13 43.22 . . 1 . . . . . . . . 6167 1 941 . 1 1 83 83 ARG HB2 H 1 2.170 . . 2 . . . . . . . . 6167 1 942 . 1 1 83 83 ARG HG2 H 1 1.547 . . 1 . . . . . . . . 6167 1 943 . 1 1 83 83 ARG HD2 H 1 3.22 . . 1 . . . . . . . . 6167 1 944 . 1 1 84 84 LEU H H 1 7.8780 . . 1 . . . . . . . . 6167 1 945 . 1 1 84 84 LEU N N 15 117.1480 . . 1 . . . . . . . . 6167 1 946 . 1 1 84 84 LEU CA C 13 52.90 . . 1 . . . . . . . . 6167 1 947 . 1 1 84 84 LEU HA H 1 4.867 . . 1 . . . . . . . . 6167 1 948 . 1 1 84 84 LEU C C 13 176.9290 . . 1 . . . . . . . . 6167 1 949 . 1 1 84 84 LEU CB C 13 44.46 . . 1 . . . . . . . . 6167 1 950 . 1 1 84 84 LEU HB3 H 1 1.031 . . 2 . . . . . . . . 6167 1 951 . 1 1 84 84 LEU CG C 13 25.91 . . 1 . . . . . . . . 6167 1 952 . 1 1 84 84 LEU CD1 C 13 23.27 . . 2 . . . . . . . . 6167 1 953 . 1 1 84 84 LEU HD11 H 1 0.929 . . 2 . . . . . . . . 6167 1 954 . 1 1 84 84 LEU HD12 H 1 0.929 . . 2 . . . . . . . . 6167 1 955 . 1 1 84 84 LEU HD13 H 1 0.929 . . 2 . . . . . . . . 6167 1 956 . 1 1 84 84 LEU CD2 C 13 25.51 . . 2 . . . . . . . . 6167 1 957 . 1 1 84 84 LEU HD21 H 1 0.846 . . 2 . . . . . . . . 6167 1 958 . 1 1 84 84 LEU HD22 H 1 0.846 . . 2 . . . . . . . . 6167 1 959 . 1 1 84 84 LEU HD23 H 1 0.846 . . 2 . . . . . . . . 6167 1 960 . 1 1 84 84 LEU HG H 1 1.572 . . 1 . . . . . . . . 6167 1 961 . 1 1 84 84 LEU HB2 H 1 1.874 . . 2 . . . . . . . . 6167 1 962 . 1 1 85 85 VAL H H 1 9.0760 . . 1 . . . . . . . . 6167 1 963 . 1 1 85 85 VAL N N 15 124.8280 . . 1 . . . . . . . . 6167 1 964 . 1 1 85 85 VAL CA C 13 61.18 . . 1 . . . . . . . . 6167 1 965 . 1 1 85 85 VAL HA H 1 5.218 . . 1 . . . . . . . . 6167 1 966 . 1 1 85 85 VAL C C 13 176.4370 . . 1 . . . . . . . . 6167 1 967 . 1 1 85 85 VAL CB C 13 33.57 . . 1 . . . . . . . . 6167 1 968 . 1 1 85 85 VAL HB H 1 2.309 . . 1 . . . . . . . . 6167 1 969 . 1 1 85 85 VAL CG1 C 13 22.71 . . 2 . . . . . . . . 6167 1 970 . 1 1 85 85 VAL HG11 H 1 1.295 . . 2 . . . . . . . . 6167 1 971 . 1 1 85 85 VAL HG12 H 1 1.295 . . 2 . . . . . . . . 6167 1 972 . 1 1 85 85 VAL HG13 H 1 1.295 . . 2 . . . . . . . . 6167 1 973 . 1 1 85 85 VAL CG2 C 13 22.36 . . 2 . . . . . . . . 6167 1 974 . 1 1 85 85 VAL HG21 H 1 0.947 . . 2 . . . . . . . . 6167 1 975 . 1 1 85 85 VAL HG22 H 1 0.947 . . 2 . . . . . . . . 6167 1 976 . 1 1 85 85 VAL HG23 H 1 0.947 . . 2 . . . . . . . . 6167 1 977 . 1 1 86 86 THR H H 1 9.1300 . . 1 . . . . . . . . 6167 1 978 . 1 1 86 86 THR N N 15 119.0240 . . 1 . . . . . . . . 6167 1 979 . 1 1 86 86 THR CA C 13 60.8370 . . 1 . . . . . . . . 6167 1 980 . 1 1 86 86 THR HA H 1 4.878 . . 1 . . . . . . . . 6167 1 981 . 1 1 86 86 THR C C 13 175.2760 . . 1 . . . . . . . . 6167 1 982 . 1 1 86 86 THR CB C 13 71.3150 . . 1 . . . . . . . . 6167 1 983 . 1 1 86 86 THR HB H 1 4.878 . . 1 . . . . . . . . 6167 1 984 . 1 1 86 86 THR HG1 H 1 5.871 . . 1 . . . . . . . . 6167 1 985 . 1 1 86 86 THR CG2 C 13 22.605 . . 1 . . . . . . . . 6167 1 986 . 1 1 86 86 THR HG21 H 1 1.410 . . 1 . . . . . . . . 6167 1 987 . 1 1 86 86 THR HG22 H 1 1.410 . . 1 . . . . . . . . 6167 1 988 . 1 1 86 86 THR HG23 H 1 1.410 . . 1 . . . . . . . . 6167 1 989 . 1 1 87 87 LEU H H 1 8.0660 . . 1 . . . . . . . . 6167 1 990 . 1 1 87 87 LEU N N 15 122.5810 . . 1 . . . . . . . . 6167 1 991 . 1 1 87 87 LEU CA C 13 58.480 . . 1 . . . . . . . . 6167 1 992 . 1 1 87 87 LEU HA H 1 3.109 . . 1 . . . . . . . . 6167 1 993 . 1 1 87 87 LEU C C 13 178.0990 . . 1 . . . . . . . . 6167 1 994 . 1 1 87 87 LEU CB C 13 40.51 . . 1 . . . . . . . . 6167 1 995 . 1 1 87 87 LEU HB3 H 1 0.718 . . 2 . . . . . . . . 6167 1 996 . 1 1 87 87 LEU CG C 13 26.771 . . 1 . . . . . . . . 6167 1 997 . 1 1 87 87 LEU CD1 C 13 25.75 . . 2 . . . . . . . . 6167 1 998 . 1 1 87 87 LEU HD11 H 1 0.830 . . 2 . . . . . . . . 6167 1 999 . 1 1 87 87 LEU HD12 H 1 0.830 . . 2 . . . . . . . . 6167 1 1000 . 1 1 87 87 LEU HD13 H 1 0.830 . . 2 . . . . . . . . 6167 1 1001 . 1 1 87 87 LEU CD2 C 13 23.05 . . 2 . . . . . . . . 6167 1 1002 . 1 1 87 87 LEU HD21 H 1 0.488 . . 2 . . . . . . . . 6167 1 1003 . 1 1 87 87 LEU HD22 H 1 0.488 . . 2 . . . . . . . . 6167 1 1004 . 1 1 87 87 LEU HD23 H 1 0.488 . . 2 . . . . . . . . 6167 1 1005 . 1 1 87 87 LEU HG H 1 1.315 . . 1 . . . . . . . . 6167 1 1006 . 1 1 87 87 LEU HB2 H 1 1.541 . . 2 . . . . . . . . 6167 1 1007 . 1 1 88 88 GLU H H 1 8.5720 . . 1 . . . . . . . . 6167 1 1008 . 1 1 88 88 GLU N N 15 116.9870 . . 1 . . . . . . . . 6167 1 1009 . 1 1 88 88 GLU CA C 13 60.4880 . . 1 . . . . . . . . 6167 1 1010 . 1 1 88 88 GLU HA H 1 3.906 . . 1 . . . . . . . . 6167 1 1011 . 1 1 88 88 GLU C C 13 180.1320 . . 1 . . . . . . . . 6167 1 1012 . 1 1 88 88 GLU CB C 13 29.1280 . . 1 . . . . . . . . 6167 1 1013 . 1 1 88 88 GLU HB3 H 1 1.977 . . 2 . . . . . . . . 6167 1 1014 . 1 1 88 88 GLU CG C 13 36.821 . . 1 . . . . . . . . 6167 1 1015 . 1 1 88 88 GLU HB2 H 1 2.079 . . 2 . . . . . . . . 6167 1 1016 . 1 1 88 88 GLU HG2 H 1 2.273 . . 1 . . . . . . . . 6167 1 1017 . 1 1 89 89 GLU H H 1 8.0890 . . 1 . . . . . . . . 6167 1 1018 . 1 1 89 89 GLU N N 15 119.9300 . . 1 . . . . . . . . 6167 1 1019 . 1 1 89 89 GLU CA C 13 58.943 . . 1 . . . . . . . . 6167 1 1020 . 1 1 89 89 GLU HA H 1 4.153 . . 1 . . . . . . . . 6167 1 1021 . 1 1 89 89 GLU C C 13 180.4480 . . 1 . . . . . . . . 6167 1 1022 . 1 1 89 89 GLU CB C 13 29.4590 . . 1 . . . . . . . . 6167 1 1023 . 1 1 89 89 GLU HB3 H 1 2.408 . . 2 . . . . . . . . 6167 1 1024 . 1 1 89 89 GLU CG C 13 36.945 . . 1 . . . . . . . . 6167 1 1025 . 1 1 89 89 GLU HB2 H 1 2.607 . . 2 . . . . . . . . 6167 1 1026 . 1 1 89 89 GLU HG2 H 1 2.591 . . 1 . . . . . . . . 6167 1 1027 . 1 1 90 90 PHE H H 1 8.9790 . . 1 . . . . . . . . 6167 1 1028 . 1 1 90 90 PHE N N 15 121.5900 . . 1 . . . . . . . . 6167 1 1029 . 1 1 90 90 PHE CA C 13 62.13 . . 1 . . . . . . . . 6167 1 1030 . 1 1 90 90 PHE HA H 1 4.168 . . 1 . . . . . . . . 6167 1 1031 . 1 1 90 90 PHE C C 13 179.1340 . . 1 . . . . . . . . 6167 1 1032 . 1 1 90 90 PHE CB C 13 40.18 . . 1 . . . . . . . . 6167 1 1033 . 1 1 90 90 PHE CD1 C 13 132.26 . . 1 . . . . . . . . 6167 1 1034 . 1 1 90 90 PHE HD1 H 1 7.203 . . 1 . . . . . . . . 6167 1 1035 . 1 1 90 90 PHE CD2 C 13 132.26 . . 1 . . . . . . . . 6167 1 1036 . 1 1 90 90 PHE HD2 H 1 7.203 . . 1 . . . . . . . . 6167 1 1037 . 1 1 90 90 PHE CE1 C 13 131.767 . . 1 . . . . . . . . 6167 1 1038 . 1 1 90 90 PHE HE1 H 1 6.645 . . 1 . . . . . . . . 6167 1 1039 . 1 1 90 90 PHE CE2 C 13 131.767 . . 1 . . . . . . . . 6167 1 1040 . 1 1 90 90 PHE HE2 H 1 6.645 . . 1 . . . . . . . . 6167 1 1041 . 1 1 90 90 PHE CZ C 13 130.947 . . 1 . . . . . . . . 6167 1 1042 . 1 1 90 90 PHE HZ H 1 7.118 . . 1 . . . . . . . . 6167 1 1043 . 1 1 90 90 PHE HB2 H 1 3.289 . . 1 . . . . . . . . 6167 1 1044 . 1 1 91 91 LEU H H 1 9.4180 . . 1 . . . . . . . . 6167 1 1045 . 1 1 91 91 LEU N N 15 120.1810 . . 1 . . . . . . . . 6167 1 1046 . 1 1 91 91 LEU CA C 13 57.71 . . 1 . . . . . . . . 6167 1 1047 . 1 1 91 91 LEU HA H 1 3.911 . . 1 . . . . . . . . 6167 1 1048 . 1 1 91 91 LEU C C 13 180.0150 . . 1 . . . . . . . . 6167 1 1049 . 1 1 91 91 LEU CB C 13 40.846 . . 1 . . . . . . . . 6167 1 1050 . 1 1 91 91 LEU HB3 H 1 1.494 . . 2 . . . . . . . . 6167 1 1051 . 1 1 91 91 LEU CG C 13 26.79 . . 1 . . . . . . . . 6167 1 1052 . 1 1 91 91 LEU CD1 C 13 25.58 . . 2 . . . . . . . . 6167 1 1053 . 1 1 91 91 LEU HD11 H 1 0.859 . . 2 . . . . . . . . 6167 1 1054 . 1 1 91 91 LEU HD12 H 1 0.859 . . 2 . . . . . . . . 6167 1 1055 . 1 1 91 91 LEU HD13 H 1 0.859 . . 2 . . . . . . . . 6167 1 1056 . 1 1 91 91 LEU CD2 C 13 22.54 . . 2 . . . . . . . . 6167 1 1057 . 1 1 91 91 LEU HD21 H 1 0.843 . . 2 . . . . . . . . 6167 1 1058 . 1 1 91 91 LEU HD22 H 1 0.843 . . 2 . . . . . . . . 6167 1 1059 . 1 1 91 91 LEU HD23 H 1 0.843 . . 2 . . . . . . . . 6167 1 1060 . 1 1 91 91 LEU HG H 1 1.926 . . 1 . . . . . . . . 6167 1 1061 . 1 1 91 91 LEU HB2 H 1 1.884 . . 2 . . . . . . . . 6167 1 1062 . 1 1 92 92 ALA H H 1 8.0800 . . 1 . . . . . . . . 6167 1 1063 . 1 1 92 92 ALA N N 15 121.0150 . . 1 . . . . . . . . 6167 1 1064 . 1 1 92 92 ALA CA C 13 54.73 . . 1 . . . . . . . . 6167 1 1065 . 1 1 92 92 ALA HA H 1 4.211 . . 1 . . . . . . . . 6167 1 1066 . 1 1 92 92 ALA C C 13 179.8250 . . 1 . . . . . . . . 6167 1 1067 . 1 1 92 92 ALA CB C 13 18.07 . . 1 . . . . . . . . 6167 1 1068 . 1 1 92 92 ALA HB1 H 1 1.559 . . 1 . . . . . . . . 6167 1 1069 . 1 1 92 92 ALA HB2 H 1 1.559 . . 1 . . . . . . . . 6167 1 1070 . 1 1 92 92 ALA HB3 H 1 1.559 . . 1 . . . . . . . . 6167 1 1071 . 1 1 93 93 SER H H 1 7.6090 . . 1 . . . . . . . . 6167 1 1072 . 1 1 93 93 SER N N 15 111.6280 . . 1 . . . . . . . . 6167 1 1073 . 1 1 93 93 SER CA C 13 60.4500 . . 1 . . . . . . . . 6167 1 1074 . 1 1 93 93 SER HA H 1 4.538 . . 1 . . . . . . . . 6167 1 1075 . 1 1 93 93 SER C C 13 175.2690 . . 1 . . . . . . . . 6167 1 1076 . 1 1 93 93 SER CB C 13 64.4420 . . 1 . . . . . . . . 6167 1 1077 . 1 1 93 93 SER HB2 H 1 4.133 . . 1 . . . . . . . . 6167 1 1078 . 1 1 94 94 THR H H 1 7.4890 . . 1 . . . . . . . . 6167 1 1079 . 1 1 94 94 THR N N 15 111.3940 . . 1 . . . . . . . . 6167 1 1080 . 1 1 94 94 THR CA C 13 62.4990 . . 1 . . . . . . . . 6167 1 1081 . 1 1 94 94 THR HA H 1 4.424 . . 1 . . . . . . . . 6167 1 1082 . 1 1 94 94 THR C C 13 174.6860 . . 1 . . . . . . . . 6167 1 1083 . 1 1 94 94 THR CB C 13 69.7740 . . 1 . . . . . . . . 6167 1 1084 . 1 1 94 94 THR HB H 1 4.238 . . 1 . . . . . . . . 6167 1 1085 . 1 1 94 94 THR CG2 C 13 21.68 . . 1 . . . . . . . . 6167 1 1086 . 1 1 94 94 THR HG21 H 1 0.833 . . 1 . . . . . . . . 6167 1 1087 . 1 1 94 94 THR HG22 H 1 0.833 . . 1 . . . . . . . . 6167 1 1088 . 1 1 94 94 THR HG23 H 1 0.833 . . 1 . . . . . . . . 6167 1 1089 . 1 1 95 95 GLN H H 1 7.5930 . . 1 . . . . . . . . 6167 1 1090 . 1 1 95 95 GLN N N 15 120.2990 . . 1 . . . . . . . . 6167 1 1091 . 1 1 95 95 GLN CA C 13 55.99 . . 1 . . . . . . . . 6167 1 1092 . 1 1 95 95 GLN HA H 1 4.378 . . 1 . . . . . . . . 6167 1 1093 . 1 1 95 95 GLN C C 13 175.7560 . . 1 . . . . . . . . 6167 1 1094 . 1 1 95 95 GLN CB C 13 29.4090 . . 1 . . . . . . . . 6167 1 1095 . 1 1 95 95 GLN HB3 H 1 2.073 . . 2 . . . . . . . . 6167 1 1096 . 1 1 95 95 GLN CG C 13 33.785 . . 1 . . . . . . . . 6167 1 1097 . 1 1 95 95 GLN NE2 N 15 111.56 . . 1 . . . . . . . . 6167 1 1098 . 1 1 95 95 GLN HE21 H 1 7.414 . . 2 . . . . . . . . 6167 1 1099 . 1 1 95 95 GLN HE22 H 1 6.798 . . 2 . . . . . . . . 6167 1 1100 . 1 1 95 95 GLN HB2 H 1 2.189 . . 2 . . . . . . . . 6167 1 1101 . 1 1 95 95 GLN HG2 H 1 2.431 . . 1 . . . . . . . . 6167 1 1102 . 1 1 96 96 ARG H H 1 8.1090 . . 1 . . . . . . . . 6167 1 1103 . 1 1 96 96 ARG N N 15 121.5670 . . 1 . . . . . . . . 6167 1 1104 . 1 1 96 96 ARG CA C 13 56.22 . . 1 . . . . . . . . 6167 1 1105 . 1 1 96 96 ARG HA H 1 4.336 . . 1 . . . . . . . . 6167 1 1106 . 1 1 96 96 ARG C C 13 175.9520 . . 1 . . . . . . . . 6167 1 1107 . 1 1 96 96 ARG CB C 13 30.91 . . 1 . . . . . . . . 6167 1 1108 . 1 1 96 96 ARG CG C 13 27.35 . . 1 . . . . . . . . 6167 1 1109 . 1 1 96 96 ARG HG3 H 1 1.642 . . 2 . . . . . . . . 6167 1 1110 . 1 1 96 96 ARG CD C 13 43.37 . . 1 . . . . . . . . 6167 1 1111 . 1 1 96 96 ARG HB2 H 1 1.831 . . 1 . . . . . . . . 6167 1 1112 . 1 1 96 96 ARG HG2 H 1 1.68 . . 2 . . . . . . . . 6167 1 1113 . 1 1 96 96 ARG HD3 H 1 3.204 . . 1 . . . . . . . . 6167 1 1114 . 1 1 97 97 LYS H H 1 8.361 . . 1 . . . . . . . . 6167 1 1115 . 1 1 97 97 LYS N N 15 122.4208 . . 1 . . . . . . . . 6167 1 1116 . 1 1 97 97 LYS CA C 13 56.0510 . . 1 . . . . . . . . 6167 1 1117 . 1 1 97 97 LYS HA H 1 4.295 . . 1 . . . . . . . . 6167 1 1118 . 1 1 97 97 LYS C C 13 176.0880 . . 1 . . . . . . . . 6167 1 1119 . 1 1 97 97 LYS CB C 13 32.9360 . . 1 . . . . . . . . 6167 1 1120 . 1 1 97 97 LYS CG C 13 24.60 . . 1 . . . . . . . . 6167 1 1121 . 1 1 97 97 LYS CD C 13 29.23 . . 1 . . . . . . . . 6167 1 1122 . 1 1 97 97 LYS CE C 13 41.86 . . 1 . . . . . . . . 6167 1 1123 . 1 1 97 97 LYS HB2 H 1 1.717 . . 1 . . . . . . . . 6167 1 1124 . 1 1 97 97 LYS HG2 H 1 1.323 . . 1 . . . . . . . . 6167 1 1125 . 1 1 97 97 LYS HD2 H 1 1.597 . . 1 . . . . . . . . 6167 1 1126 . 1 1 97 97 LYS HE2 H 1 2.912 . . 1 . . . . . . . . 6167 1 1127 . 1 1 98 98 GLU H H 1 8.2640 . . 1 . . . . . . . . 6167 1 1128 . 1 1 98 98 GLU N N 15 121.3650 . . 1 . . . . . . . . 6167 1 1129 . 1 1 98 98 GLU CA C 13 56.4750 . . 1 . . . . . . . . 6167 1 1130 . 1 1 98 98 GLU HA H 1 4.293 . . 1 . . . . . . . . 6167 1 1131 . 1 1 98 98 GLU C C 13 174.9670 . . 1 . . . . . . . . 6167 1 1132 . 1 1 98 98 GLU CB C 13 30.7120 . . 1 . . . . . . . . 6167 1 1133 . 1 1 98 98 GLU HB3 H 1 1.855 . . 2 . . . . . . . . 6167 1 1134 . 1 1 98 98 GLU CG C 13 36.13 . . 1 . . . . . . . . 6167 1 1135 . 1 1 98 98 GLU HG3 H 1 2.179 . . 2 . . . . . . . . 6167 1 1136 . 1 1 98 98 GLU HB2 H 1 2.014 . . 2 . . . . . . . . 6167 1 1137 . 1 1 98 98 GLU HG2 H 1 2.210 . . 2 . . . . . . . . 6167 1 1138 . 1 1 99 99 PHE H H 1 7.6910 . . 1 . . . . . . . . 6167 1 1139 . 1 1 99 99 PHE N N 15 124.8790 . . 1 . . . . . . . . 6167 1 1140 . 1 1 99 99 PHE CA C 13 59.13 . . 1 . . . . . . . . 6167 1 1141 . 1 1 99 99 PHE HA H 1 4.423 . . 1 . . . . . . . . 6167 1 1142 . 1 1 99 99 PHE CB C 13 40.6 . . 1 . . . . . . . . 6167 1 1143 . 1 1 99 99 PHE HB3 H 1 3.146 . . 2 . . . . . . . . 6167 1 1144 . 1 1 99 99 PHE CD1 C 13 132.053 . . 1 . . . . . . . . 6167 1 1145 . 1 1 99 99 PHE HD1 H 1 7.22 . . 1 . . . . . . . . 6167 1 1146 . 1 1 99 99 PHE CD2 C 13 132.053 . . 1 . . . . . . . . 6167 1 1147 . 1 1 99 99 PHE HD2 H 1 7.22 . . 1 . . . . . . . . 6167 1 1148 . 1 1 99 99 PHE HE1 H 1 7.157 . . 1 . . . . . . . . 6167 1 1149 . 1 1 99 99 PHE HE2 H 1 7.157 . . 1 . . . . . . . . 6167 1 1150 . 1 1 99 99 PHE CZ C 13 129.55 . . 1 . . . . . . . . 6167 1 1151 . 1 1 99 99 PHE HZ H 1 6.369 . . 1 . . . . . . . . 6167 1 1152 . 1 1 99 99 PHE HB2 H 1 3.017 . . 2 . . . . . . . . 6167 1 stop_ save_