data_4876 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4876 _Entry.Title ; 1H,13C,15N assignment of Ca2+-bound state of Canine Milk Lysozyme at 30deg ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-10-24 _Entry.Accession_date 2000-10-24 _Entry.Last_release_date 2000-10-24 _Entry.Original_release_date 2000-10-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Yoshihiro Kobashigawa . . . . 4876 2 Katsutoshi Nitta . . . . 4876 3 Sakae Tsuda . . . . 4876 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4876 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 244 4876 '15N chemical shifts' 125 4876 '1H chemical shifts' 260 4876 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 . . 2001-04-30 . original BMRB . 4876 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4883 'Ca2+-free state of Canine Milk Lysozyme at 20 deg' 4876 BMRB 4887 'Ca2+-bound state of Canine Milk Lysozyme at 20 deg' 4876 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4876 _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 ; Letter to the Editor: Assignment of 1H, 13C, and 15N Resonances of Canine Milk Lysozyme ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 4 _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 387 _Citation.Page_last 388 _Citation.Year 2001 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yoshihiro Kobashigawa . . . . 4876 1 2 Kazunori Miura . . . . 4876 1 3 Makoto Demura . . . . 4876 1 4 Nobuaki Nemoto . . . . 4876 1 5 Takumi Koshiba . . . . 4876 1 6 Katsutoshi Nitta . . . . 4876 1 7 Sakae Tsuda . . . . 4876 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_canine_milk_lysozyme _Assembly.Sf_category assembly _Assembly.Sf_framecode canine_milk_lysozyme _Assembly.Entry_ID 4876 _Assembly.ID 1 _Assembly.Name 'Ca2+-bound state of canine milk lysozyme' _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 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.2.1.17. _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 4876 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 'canine milk lysozyme' 1 $CML . . . native . . . . . 4876 1 2 Ca 2 $CA . . . native . . . . . 4876 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 128 128 SG . . . . . . . . . . . . 4876 1 2 disulfide single . 1 . 1 CYS 31 31 SG . 1 . 1 CYS 116 116 SG . . . . . . . . . . . . 4876 1 3 disulfide single . 1 . 1 CYS 66 66 SG . 1 . 1 CYS 81 81 SG . . . . . . . . . . . . 4876 1 4 disulfide single . 1 . 1 CYS 77 77 SG . 1 . 1 CYS 95 95 SG . . . . . . . . . . . . 4876 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 yes PDB 1QQY . . . . . . 4876 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Ca2+-bound state of canine milk lysozyme' system 4876 1 'canine milk lysozyme' abbreviation 4876 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CML _Entity.Sf_category entity _Entity.Sf_framecode CML _Entity.Entry_ID 4876 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'canine milk lysozyme' _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 ; SKIFSKCELARKLKSMGMDG FHGYSLANWVCMAEYESNFN TQAFNGRNSNGSSDYGIFQL NSKWWCKSNSHSSANACNIM CSKFLDDNIDDDIACAKRVV KDPNGMSAWVAWVKHCKGKD LSKYLASCNL ; _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 130 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 . no BMRB 4883 . 'canine milk lysozyme' . . . . . 100.00 130 100.00 100.00 9.48e-70 . . . . 4876 1 . no BMRB 4887 . 'canine milk lysozyme' . . . . . 100.00 130 100.00 100.00 9.48e-70 . . . . 4876 1 . no PDB 1EL1 . 'X-Ray Crystal Structure Analysis Of Canine Milk Lysozyme (Holo-Type)' . . . . . 100.00 130 100.00 100.00 9.48e-70 . . . . 4876 1 . no PDB 1I56 . 'Solution Structure Of Ca2+-Bound State Of Canine Milk Lysozyme' . . . . . 100.00 130 100.00 100.00 9.48e-70 . . . . 4876 1 . no PDB 1QQY . 'X-Ray Crystal Structure Analysis Of Canine Milk Lysozyme (Apo-Type)' . . . . . 99.23 130 100.00 100.00 2.47e-69 . . . . 4876 1 . no PDB 2CWI . 'X-Ray Crystal Structure Analysis Of Recombinant Wild-Type Canine Milk Lysozyme (Apo-Type)' . . . . . 99.23 129 100.00 100.00 2.54e-69 . . . . 4876 1 . no GenBank AAB31794 . 'type c lysozyme, alpha-lactalbumin, LZ {EC 3.2.1.17} [dogs, milk, Peptide, 129 aa]' . . . . . 99.23 129 100.00 100.00 2.54e-69 . . . . 4876 1 . no REF XP_851313 . 'PREDICTED: similar to lysozyme [Canis familiaris]' . . . . . 100.00 148 99.23 100.00 5.60e-70 . . . . 4876 1 . no SWISS-PROT P81708 . 'Lysozyme C, milk isozyme (1,4-beta-N-acetylmuramidase C)' . . . . . 99.23 129 100.00 100.00 2.54e-69 . . . . 4876 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CML abbreviation 4876 1 'canine milk lysozyme' common 4876 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 0 SER . 4876 1 2 1 LYS . 4876 1 3 2 ILE . 4876 1 4 3 PHE . 4876 1 5 4 SER . 4876 1 6 5 LYS . 4876 1 7 6 CYS . 4876 1 8 7 GLU . 4876 1 9 8 LEU . 4876 1 10 9 ALA . 4876 1 11 10 ARG . 4876 1 12 11 LYS . 4876 1 13 12 LEU . 4876 1 14 13 LYS . 4876 1 15 14 SER . 4876 1 16 15 MET . 4876 1 17 16 GLY . 4876 1 18 17 MET . 4876 1 19 18 ASP . 4876 1 20 19 GLY . 4876 1 21 20 PHE . 4876 1 22 21 HIS . 4876 1 23 22 GLY . 4876 1 24 23 TYR . 4876 1 25 24 SER . 4876 1 26 25 LEU . 4876 1 27 26 ALA . 4876 1 28 27 ASN . 4876 1 29 28 TRP . 4876 1 30 29 VAL . 4876 1 31 30 CYS . 4876 1 32 31 MET . 4876 1 33 32 ALA . 4876 1 34 33 GLU . 4876 1 35 34 TYR . 4876 1 36 35 GLU . 4876 1 37 36 SER . 4876 1 38 37 ASN . 4876 1 39 38 PHE . 4876 1 40 39 ASN . 4876 1 41 40 THR . 4876 1 42 41 GLN . 4876 1 43 42 ALA . 4876 1 44 43 PHE . 4876 1 45 44 ASN . 4876 1 46 45 GLY . 4876 1 47 46 ARG . 4876 1 48 47 ASN . 4876 1 49 48 SER . 4876 1 50 49 ASN . 4876 1 51 50 GLY . 4876 1 52 51 SER . 4876 1 53 52 SER . 4876 1 54 53 ASP . 4876 1 55 54 TYR . 4876 1 56 55 GLY . 4876 1 57 56 ILE . 4876 1 58 57 PHE . 4876 1 59 58 GLN . 4876 1 60 59 LEU . 4876 1 61 60 ASN . 4876 1 62 61 SER . 4876 1 63 62 LYS . 4876 1 64 63 TRP . 4876 1 65 64 TRP . 4876 1 66 65 CYS . 4876 1 67 66 LYS . 4876 1 68 67 SER . 4876 1 69 68 ASN . 4876 1 70 69 SER . 4876 1 71 70 HIS . 4876 1 72 71 SER . 4876 1 73 72 SER . 4876 1 74 73 ALA . 4876 1 75 74 ASN . 4876 1 76 75 ALA . 4876 1 77 76 CYS . 4876 1 78 77 ASN . 4876 1 79 78 ILE . 4876 1 80 79 MET . 4876 1 81 80 CYS . 4876 1 82 81 SER . 4876 1 83 82 LYS . 4876 1 84 83 PHE . 4876 1 85 84 LEU . 4876 1 86 85 ASP . 4876 1 87 86 ASP . 4876 1 88 87 ASN . 4876 1 89 88 ILE . 4876 1 90 89 ASP . 4876 1 91 90 ASP . 4876 1 92 91 ASP . 4876 1 93 92 ILE . 4876 1 94 93 ALA . 4876 1 95 94 CYS . 4876 1 96 95 ALA . 4876 1 97 96 LYS . 4876 1 98 97 ARG . 4876 1 99 98 VAL . 4876 1 100 99 VAL . 4876 1 101 100 LYS . 4876 1 102 101 ASP . 4876 1 103 102 PRO . 4876 1 104 103 ASN . 4876 1 105 104 GLY . 4876 1 106 105 MET . 4876 1 107 106 SER . 4876 1 108 107 ALA . 4876 1 109 108 TRP . 4876 1 110 109 VAL . 4876 1 111 110 ALA . 4876 1 112 111 TRP . 4876 1 113 112 VAL . 4876 1 114 113 LYS . 4876 1 115 114 HIS . 4876 1 116 115 CYS . 4876 1 117 116 LYS . 4876 1 118 117 GLY . 4876 1 119 118 LYS . 4876 1 120 119 ASP . 4876 1 121 120 LEU . 4876 1 122 121 SER . 4876 1 123 122 LYS . 4876 1 124 123 TYR . 4876 1 125 124 LEU . 4876 1 126 125 ALA . 4876 1 127 126 SER . 4876 1 128 127 CYS . 4876 1 129 128 ASN . 4876 1 130 129 LEU . 4876 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 . SER 1 1 4876 1 . LYS 2 2 4876 1 . ILE 3 3 4876 1 . PHE 4 4 4876 1 . SER 5 5 4876 1 . LYS 6 6 4876 1 . CYS 7 7 4876 1 . GLU 8 8 4876 1 . LEU 9 9 4876 1 . ALA 10 10 4876 1 . ARG 11 11 4876 1 . LYS 12 12 4876 1 . LEU 13 13 4876 1 . LYS 14 14 4876 1 . SER 15 15 4876 1 . MET 16 16 4876 1 . GLY 17 17 4876 1 . MET 18 18 4876 1 . ASP 19 19 4876 1 . GLY 20 20 4876 1 . PHE 21 21 4876 1 . HIS 22 22 4876 1 . GLY 23 23 4876 1 . TYR 24 24 4876 1 . SER 25 25 4876 1 . LEU 26 26 4876 1 . ALA 27 27 4876 1 . ASN 28 28 4876 1 . TRP 29 29 4876 1 . VAL 30 30 4876 1 . CYS 31 31 4876 1 . MET 32 32 4876 1 . ALA 33 33 4876 1 . GLU 34 34 4876 1 . TYR 35 35 4876 1 . GLU 36 36 4876 1 . SER 37 37 4876 1 . ASN 38 38 4876 1 . PHE 39 39 4876 1 . ASN 40 40 4876 1 . THR 41 41 4876 1 . GLN 42 42 4876 1 . ALA 43 43 4876 1 . PHE 44 44 4876 1 . ASN 45 45 4876 1 . GLY 46 46 4876 1 . ARG 47 47 4876 1 . ASN 48 48 4876 1 . SER 49 49 4876 1 . ASN 50 50 4876 1 . GLY 51 51 4876 1 . SER 52 52 4876 1 . SER 53 53 4876 1 . ASP 54 54 4876 1 . TYR 55 55 4876 1 . GLY 56 56 4876 1 . ILE 57 57 4876 1 . PHE 58 58 4876 1 . GLN 59 59 4876 1 . LEU 60 60 4876 1 . ASN 61 61 4876 1 . SER 62 62 4876 1 . LYS 63 63 4876 1 . TRP 64 64 4876 1 . TRP 65 65 4876 1 . CYS 66 66 4876 1 . LYS 67 67 4876 1 . SER 68 68 4876 1 . ASN 69 69 4876 1 . SER 70 70 4876 1 . HIS 71 71 4876 1 . SER 72 72 4876 1 . SER 73 73 4876 1 . ALA 74 74 4876 1 . ASN 75 75 4876 1 . ALA 76 76 4876 1 . CYS 77 77 4876 1 . ASN 78 78 4876 1 . ILE 79 79 4876 1 . MET 80 80 4876 1 . CYS 81 81 4876 1 . SER 82 82 4876 1 . LYS 83 83 4876 1 . PHE 84 84 4876 1 . LEU 85 85 4876 1 . ASP 86 86 4876 1 . ASP 87 87 4876 1 . ASN 88 88 4876 1 . ILE 89 89 4876 1 . ASP 90 90 4876 1 . ASP 91 91 4876 1 . ASP 92 92 4876 1 . ILE 93 93 4876 1 . ALA 94 94 4876 1 . CYS 95 95 4876 1 . ALA 96 96 4876 1 . LYS 97 97 4876 1 . ARG 98 98 4876 1 . VAL 99 99 4876 1 . VAL 100 100 4876 1 . LYS 101 101 4876 1 . ASP 102 102 4876 1 . PRO 103 103 4876 1 . ASN 104 104 4876 1 . GLY 105 105 4876 1 . MET 106 106 4876 1 . SER 107 107 4876 1 . ALA 108 108 4876 1 . TRP 109 109 4876 1 . VAL 110 110 4876 1 . ALA 111 111 4876 1 . TRP 112 112 4876 1 . VAL 113 113 4876 1 . LYS 114 114 4876 1 . HIS 115 115 4876 1 . CYS 116 116 4876 1 . LYS 117 117 4876 1 . GLY 118 118 4876 1 . LYS 119 119 4876 1 . ASP 120 120 4876 1 . LEU 121 121 4876 1 . SER 122 122 4876 1 . LYS 123 123 4876 1 . TYR 124 124 4876 1 . LEU 125 125 4876 1 . ALA 126 126 4876 1 . SER 127 127 4876 1 . CYS 128 128 4876 1 . ASN 129 129 4876 1 . LEU 130 130 4876 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 4876 _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 . 4876 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 4876 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CML . 9615 organism . 'Canis familiaris' dog . . Eukaryota Metazoa Canis familiaris . . . . . . . . . . . . . 4876 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 4876 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CML . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . pet22(b) . . . 4876 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 4876 _Chem_comp.ID CA _Chem_comp.Provenance PDB _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.Atom_nomenclature_source . _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 Wed Jun 15 15:31:50 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 BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 4876 CA InChI=1S/Ca/q+2 InChI InChI 1.03 4876 CA [Ca++] SMILES CACTVS 3.341 4876 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 4876 CA [Ca+2] SMILES ACDLabs 10.04 4876 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 4876 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4876 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 4876 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4876 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 . 4876 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 4876 _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 'canine milk lysozyme' '[U-15N; U-13C]' . . 1 $CML . . 1.0 . . mM . . . . 4876 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4876 _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 4.5 0.2 n/a 4876 1 temperature 303 1 K 4876 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4876 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4876 _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 Varian Inova . 500 . . . 4876 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 4876 _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 experiment_1 . . . . . . . . . . . 1 $sample1 . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4876 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 4876 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . 4876 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . 4876 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 4876 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_shift_set1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set1 _Assigned_chem_shift_list.Entry_ID 4876 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 experiment_1 1 $sample1 . 4876 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.Ambiguity_set_ID _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 SER HA H 1 4.08 0.03 . 1 . . . . . . . . . 4876 1 2 . 1 1 1 1 SER CA C 13 57.04 0.50 . 1 . . . . . . . . . 4876 1 3 . 1 1 1 1 SER CB C 13 62.81 0.50 . 1 . . . . . . . . . 4876 1 4 . 1 1 2 2 LYS H H 1 8.77 0.03 . 1 . . . . . . . . . 4876 1 5 . 1 1 2 2 LYS HA H 1 4.37 0.03 . 1 . . . . . . . . . 4876 1 6 . 1 1 2 2 LYS CA C 13 56.67 0.50 . 1 . . . . . . . . . 4876 1 7 . 1 1 2 2 LYS CB C 13 33.17 0.50 . 1 . . . . . . . . . 4876 1 8 . 1 1 2 2 LYS N N 15 123.51 0.25 . 1 . . . . . . . . . 4876 1 9 . 1 1 3 3 ILE H H 1 8.78 0.03 . 1 . . . . . . . . . 4876 1 10 . 1 1 3 3 ILE HA H 1 4.88 0.03 . 1 . . . . . . . . . 4876 1 11 . 1 1 3 3 ILE CA C 13 60.04 0.50 . 1 . . . . . . . . . 4876 1 12 . 1 1 3 3 ILE CB C 13 39.29 0.50 . 1 . . . . . . . . . 4876 1 13 . 1 1 3 3 ILE N N 15 130.16 0.25 . 1 . . . . . . . . . 4876 1 14 . 1 1 4 4 PHE H H 1 8.70 0.03 . 1 . . . . . . . . . 4876 1 15 . 1 1 4 4 PHE HA H 1 4.39 0.03 . 1 . . . . . . . . . 4876 1 16 . 1 1 4 4 PHE CA C 13 58.49 0.50 . 1 . . . . . . . . . 4876 1 17 . 1 1 4 4 PHE CB C 13 41.58 0.50 . 1 . . . . . . . . . 4876 1 18 . 1 1 4 4 PHE N N 15 126.42 0.25 . 1 . . . . . . . . . 4876 1 19 . 1 1 5 5 SER H H 1 7.86 0.03 . 1 . . . . . . . . . 4876 1 20 . 1 1 5 5 SER HA H 1 4.53 0.03 . 1 . . . . . . . . . 4876 1 21 . 1 1 5 5 SER CA C 13 65.00 0.50 . 1 . . . . . . . . . 4876 1 22 . 1 1 5 5 SER CB C 13 56.44 0.50 . 1 . . . . . . . . . 4876 1 23 . 1 1 5 5 SER N N 15 112.60 0.25 . 1 . . . . . . . . . 4876 1 24 . 1 1 6 6 LYS H H 1 8.60 0.03 . 1 . . . . . . . . . 4876 1 25 . 1 1 6 6 LYS HA H 1 4.65 0.03 . 1 . . . . . . . . . 4876 1 26 . 1 1 6 6 LYS CA C 13 60.25 0.50 . 1 . . . . . . . . . 4876 1 27 . 1 1 6 6 LYS CB C 13 31.92 0.50 . 1 . . . . . . . . . 4876 1 28 . 1 1 6 6 LYS N N 15 122.88 0.25 . 1 . . . . . . . . . 4876 1 29 . 1 1 7 7 CYS H H 1 8.62 0.03 . 1 . . . . . . . . . 4876 1 30 . 1 1 7 7 CYS HA H 1 4.51 0.03 . 1 . . . . . . . . . 4876 1 31 . 1 1 7 7 CYS CA C 13 54.94 0.50 . 1 . . . . . . . . . 4876 1 32 . 1 1 7 7 CYS CB C 13 34.36 0.50 . 1 . . . . . . . . . 4876 1 33 . 1 1 7 7 CYS N N 15 113.20 0.25 . 1 . . . . . . . . . 4876 1 34 . 1 1 8 8 GLU H H 1 7.72 0.03 . 1 . . . . . . . . . 4876 1 35 . 1 1 8 8 GLU HA H 1 4.02 0.03 . 1 . . . . . . . . . 4876 1 36 . 1 1 8 8 GLU CA C 13 58.78 0.50 . 1 . . . . . . . . . 4876 1 37 . 1 1 8 8 GLU CB C 13 30.48 0.50 . 1 . . . . . . . . . 4876 1 38 . 1 1 8 8 GLU N N 15 123.27 0.25 . 1 . . . . . . . . . 4876 1 39 . 1 1 9 9 LEU H H 1 8.62 0.03 . 1 . . . . . . . . . 4876 1 40 . 1 1 9 9 LEU HA H 1 3.79 0.03 . 1 . . . . . . . . . 4876 1 41 . 1 1 9 9 LEU CA C 13 57.18 0.50 . 1 . . . . . . . . . 4876 1 42 . 1 1 9 9 LEU CB C 13 39.94 0.50 . 1 . . . . . . . . . 4876 1 43 . 1 1 9 9 LEU N N 15 119.82 0.25 . 1 . . . . . . . . . 4876 1 44 . 1 1 10 10 ALA H H 1 8.56 0.03 . 1 . . . . . . . . . 4876 1 45 . 1 1 10 10 ALA HA H 1 4.53 0.03 . 1 . . . . . . . . . 4876 1 46 . 1 1 10 10 ALA CA C 13 55.83 0.50 . 1 . . . . . . . . . 4876 1 47 . 1 1 10 10 ALA CB C 13 19.43 0.50 . 1 . . . . . . . . . 4876 1 48 . 1 1 10 10 ALA N N 15 121.17 0.25 . 1 . . . . . . . . . 4876 1 49 . 1 1 11 11 ARG H H 1 8.09 0.03 . 1 . . . . . . . . . 4876 1 50 . 1 1 11 11 ARG HA H 1 3.86 0.03 . 1 . . . . . . . . . 4876 1 51 . 1 1 11 11 ARG CA C 13 60.06 0.50 . 1 . . . . . . . . . 4876 1 52 . 1 1 11 11 ARG CB C 13 30.74 0.50 . 1 . . . . . . . . . 4876 1 53 . 1 1 11 11 ARG N N 15 116.21 0.25 . 1 . . . . . . . . . 4876 1 54 . 1 1 12 12 LYS H H 1 7.84 0.03 . 1 . . . . . . . . . 4876 1 55 . 1 1 12 12 LYS HA H 1 4.25 0.03 . 1 . . . . . . . . . 4876 1 56 . 1 1 12 12 LYS CA C 13 57.95 0.50 . 1 . . . . . . . . . 4876 1 57 . 1 1 12 12 LYS CB C 13 31.03 0.50 . 1 . . . . . . . . . 4876 1 58 . 1 1 12 12 LYS N N 15 121.40 0.25 . 1 . . . . . . . . . 4876 1 59 . 1 1 13 13 LEU H H 1 9.05 0.03 . 1 . . . . . . . . . 4876 1 60 . 1 1 13 13 LEU HA H 1 3.63 0.03 . 1 . . . . . . . . . 4876 1 61 . 1 1 13 13 LEU CA C 13 57.76 0.50 . 1 . . . . . . . . . 4876 1 62 . 1 1 13 13 LEU CB C 13 39.48 0.50 . 1 . . . . . . . . . 4876 1 63 . 1 1 13 13 LEU N N 15 117.58 0.25 . 1 . . . . . . . . . 4876 1 64 . 1 1 14 14 LYS H H 1 8.70 0.03 . 1 . . . . . . . . . 4876 1 65 . 1 1 14 14 LYS HA H 1 3.96 0.03 . 1 . . . . . . . . . 4876 1 66 . 1 1 14 14 LYS CA C 13 59.20 0.50 . 1 . . . . . . . . . 4876 1 67 . 1 1 14 14 LYS CB C 13 32.51 0.50 . 1 . . . . . . . . . 4876 1 68 . 1 1 14 14 LYS N N 15 121.91 0.25 . 1 . . . . . . . . . 4876 1 69 . 1 1 15 15 SER H H 1 8.03 0.03 . 1 . . . . . . . . . 4876 1 70 . 1 1 15 15 SER HA H 1 4.37 0.03 . 1 . . . . . . . . . 4876 1 71 . 1 1 15 15 SER CA C 13 63.53 0.50 . 1 . . . . . . . . . 4876 1 72 . 1 1 15 15 SER CB C 13 61.14 0.50 . 1 . . . . . . . . . 4876 1 73 . 1 1 15 15 SER N N 15 115.93 0.25 . 1 . . . . . . . . . 4876 1 74 . 1 1 16 16 MET H H 1 7.17 0.03 . 1 . . . . . . . . . 4876 1 75 . 1 1 16 16 MET HA H 1 4.74 0.03 . 1 . . . . . . . . . 4876 1 76 . 1 1 16 16 MET CA C 13 53.66 0.50 . 1 . . . . . . . . . 4876 1 77 . 1 1 16 16 MET CB C 13 32.00 0.50 . 1 . . . . . . . . . 4876 1 78 . 1 1 16 16 MET N N 15 118.12 0.25 . 1 . . . . . . . . . 4876 1 79 . 1 1 17 17 GLY H H 1 7.62 0.03 . 1 . . . . . . . . . 4876 1 80 . 1 1 17 17 GLY HA2 H 1 3.98 0.03 . 1 . . . . . . . . . 4876 1 81 . 1 1 17 17 GLY HA3 H 1 3.98 0.03 . 1 . . . . . . . . . 4876 1 82 . 1 1 17 17 GLY CA C 13 46.82 0.50 . 1 . . . . . . . . . 4876 1 83 . 1 1 17 17 GLY N N 15 106.44 0.25 . 1 . . . . . . . . . 4876 1 84 . 1 1 18 18 MET H H 1 7.31 0.03 . 1 . . . . . . . . . 4876 1 85 . 1 1 18 18 MET HA H 1 4.10 0.03 . 1 . . . . . . . . . 4876 1 86 . 1 1 18 18 MET CA C 13 55.24 0.50 . 1 . . . . . . . . . 4876 1 87 . 1 1 18 18 MET CB C 13 31.58 0.50 . 1 . . . . . . . . . 4876 1 88 . 1 1 18 18 MET N N 15 112.96 0.25 . 1 . . . . . . . . . 4876 1 89 . 1 1 19 19 ASP H H 1 8.90 0.03 . 1 . . . . . . . . . 4876 1 90 . 1 1 19 19 ASP HA H 1 4.43 0.03 . 1 . . . . . . . . . 4876 1 91 . 1 1 19 19 ASP CA C 13 55.40 0.50 . 1 . . . . . . . . . 4876 1 92 . 1 1 19 19 ASP CB C 13 40.90 0.50 . 1 . . . . . . . . . 4876 1 93 . 1 1 19 19 ASP N N 15 118.10 0.25 . 1 . . . . . . . . . 4876 1 94 . 1 1 20 20 GLY H H 1 8.67 0.03 . 1 . . . . . . . . . 4876 1 95 . 1 1 20 20 GLY HA2 H 1 3.29 0.03 . 1 . . . . . . . . . 4876 1 96 . 1 1 20 20 GLY HA3 H 1 4.35 0.03 . 1 . . . . . . . . . 4876 1 97 . 1 1 20 20 GLY CA C 13 45.48 0.50 . 1 . . . . . . . . . 4876 1 98 . 1 1 20 20 GLY N N 15 119.36 0.25 . 1 . . . . . . . . . 4876 1 99 . 1 1 21 21 PHE H H 1 8.19 0.03 . 1 . . . . . . . . . 4876 1 100 . 1 1 21 21 PHE HA H 1 4.20 0.03 . 1 . . . . . . . . . 4876 1 101 . 1 1 21 21 PHE CA C 13 60.69 0.50 . 1 . . . . . . . . . 4876 1 102 . 1 1 21 21 PHE CB C 13 39.19 0.50 . 1 . . . . . . . . . 4876 1 103 . 1 1 21 21 PHE N N 15 125.89 0.25 . 1 . . . . . . . . . 4876 1 104 . 1 1 22 22 HIS H H 1 9.22 0.03 . 1 . . . . . . . . . 4876 1 105 . 1 1 22 22 HIS HA H 1 3.86 0.03 . 1 . . . . . . . . . 4876 1 106 . 1 1 22 22 HIS CA C 13 56.10 0.50 . 1 . . . . . . . . . 4876 1 107 . 1 1 22 22 HIS CB C 13 29.10 0.50 . 1 . . . . . . . . . 4876 1 108 . 1 1 22 22 HIS N N 15 128.26 0.25 . 1 . . . . . . . . . 4876 1 109 . 1 1 23 23 GLY H H 1 7.94 0.03 . 1 . . . . . . . . . 4876 1 110 . 1 1 23 23 GLY HA2 H 1 3.47 0.03 . 1 . . . . . . . . . 4876 1 111 . 1 1 23 23 GLY HA3 H 1 3.82 0.03 . 1 . . . . . . . . . 4876 1 112 . 1 1 23 23 GLY CA C 13 44.80 0.50 . 1 . . . . . . . . . 4876 1 113 . 1 1 23 23 GLY N N 15 102.18 0.25 . 1 . . . . . . . . . 4876 1 114 . 1 1 24 24 TYR H H 1 7.49 0.03 . 1 . . . . . . . . . 4876 1 115 . 1 1 24 24 TYR HA H 1 4.64 0.03 . 1 . . . . . . . . . 4876 1 116 . 1 1 24 24 TYR CA C 13 57.77 0.50 . 1 . . . . . . . . . 4876 1 117 . 1 1 24 24 TYR CB C 13 39.50 0.50 . 1 . . . . . . . . . 4876 1 118 . 1 1 24 24 TYR N N 15 119.44 0.25 . 1 . . . . . . . . . 4876 1 119 . 1 1 25 25 SER H H 1 9.04 0.03 . 1 . . . . . . . . . 4876 1 120 . 1 1 25 25 SER HA H 1 4.49 0.03 . 1 . . . . . . . . . 4876 1 121 . 1 1 25 25 SER CA C 13 57.18 0.50 . 1 . . . . . . . . . 4876 1 122 . 1 1 25 25 SER CB C 13 65.01 0.50 . 1 . . . . . . . . . 4876 1 123 . 1 1 25 25 SER N N 15 119.64 0.25 . 1 . . . . . . . . . 4876 1 124 . 1 1 26 26 LEU H H 1 8.88 0.03 . 1 . . . . . . . . . 4876 1 125 . 1 1 26 26 LEU HA H 1 4.25 0.03 . 1 . . . . . . . . . 4876 1 126 . 1 1 26 26 LEU CA C 13 58.44 0.50 . 1 . . . . . . . . . 4876 1 127 . 1 1 26 26 LEU CB C 13 42.53 0.50 . 1 . . . . . . . . . 4876 1 128 . 1 1 26 26 LEU N N 15 121.67 0.25 . 1 . . . . . . . . . 4876 1 129 . 1 1 27 27 ALA H H 1 9.15 0.03 . 1 . . . . . . . . . 4876 1 130 . 1 1 27 27 ALA HA H 1 4.04 0.03 . 1 . . . . . . . . . 4876 1 131 . 1 1 27 27 ALA CA C 13 56.04 0.50 . 1 . . . . . . . . . 4876 1 132 . 1 1 27 27 ALA CB C 13 19.21 0.50 . 1 . . . . . . . . . 4876 1 133 . 1 1 27 27 ALA N N 15 117.34 0.25 . 1 . . . . . . . . . 4876 1 134 . 1 1 28 28 ASN H H 1 7.84 0.03 . 1 . . . . . . . . . 4876 1 135 . 1 1 28 28 ASN HA H 1 4.18 0.03 . 1 . . . . . . . . . 4876 1 136 . 1 1 28 28 ASN CA C 13 58.78 0.50 . 1 . . . . . . . . . 4876 1 137 . 1 1 28 28 ASN CB C 13 39.75 0.50 . 1 . . . . . . . . . 4876 1 138 . 1 1 28 28 ASN N N 15 115.83 0.25 . 1 . . . . . . . . . 4876 1 139 . 1 1 29 29 TRP H H 1 7.45 0.03 . 1 . . . . . . . . . 4876 1 140 . 1 1 29 29 TRP HA H 1 3.86 0.03 . 1 . . . . . . . . . 4876 1 141 . 1 1 29 29 TRP CA C 13 60.85 0.50 . 1 . . . . . . . . . 4876 1 142 . 1 1 29 29 TRP CB C 13 29.81 0.50 . 1 . . . . . . . . . 4876 1 143 . 1 1 29 29 TRP N N 15 118.70 0.25 . 1 . . . . . . . . . 4876 1 144 . 1 1 30 30 VAL H H 1 8.33 0.03 . 1 . . . . . . . . . 4876 1 145 . 1 1 30 30 VAL HA H 1 3.65 0.03 . 1 . . . . . . . . . 4876 1 146 . 1 1 30 30 VAL CA C 13 66.67 0.50 . 1 . . . . . . . . . 4876 1 147 . 1 1 30 30 VAL CB C 13 31.92 0.50 . 1 . . . . . . . . . 4876 1 148 . 1 1 30 30 VAL N N 15 116.75 0.25 . 1 . . . . . . . . . 4876 1 149 . 1 1 31 31 CYS H H 1 8.70 0.03 . 1 . . . . . . . . . 4876 1 150 . 1 1 31 31 CYS HA H 1 4.78 0.03 . 1 . . . . . . . . . 4876 1 151 . 1 1 31 31 CYS CA C 13 60.55 0.50 . 1 . . . . . . . . . 4876 1 152 . 1 1 31 31 CYS CB C 13 42.19 0.50 . 1 . . . . . . . . . 4876 1 153 . 1 1 31 31 CYS N N 15 120.53 0.25 . 1 . . . . . . . . . 4876 1 154 . 1 1 32 32 MET H H 1 8.28 0.03 . 1 . . . . . . . . . 4876 1 155 . 1 1 32 32 MET HA H 1 3.79 0.03 . 1 . . . . . . . . . 4876 1 156 . 1 1 32 32 MET CA C 13 60.86 0.50 . 1 . . . . . . . . . 4876 1 157 . 1 1 32 32 MET CB C 13 30.15 0.50 . 1 . . . . . . . . . 4876 1 158 . 1 1 32 32 MET N N 15 119.31 0.25 . 1 . . . . . . . . . 4876 1 159 . 1 1 33 33 ALA H H 1 7.64 0.03 . 1 . . . . . . . . . 4876 1 160 . 1 1 33 33 ALA HA H 1 4.04 0.03 . 1 . . . . . . . . . 4876 1 161 . 1 1 33 33 ALA CA C 13 55.08 0.50 . 1 . . . . . . . . . 4876 1 162 . 1 1 33 33 ALA CB C 13 19.12 0.50 . 1 . . . . . . . . . 4876 1 163 . 1 1 33 33 ALA N N 15 122.17 0.25 . 1 . . . . . . . . . 4876 1 164 . 1 1 34 34 GLU H H 1 8.82 0.03 . 1 . . . . . . . . . 4876 1 165 . 1 1 34 34 GLU HA H 1 4.63 0.03 . 1 . . . . . . . . . 4876 1 166 . 1 1 34 34 GLU CA C 13 59.77 0.50 . 1 . . . . . . . . . 4876 1 167 . 1 1 34 34 GLU CB C 13 27.57 0.50 . 1 . . . . . . . . . 4876 1 168 . 1 1 34 34 GLU N N 15 120.09 0.25 . 1 . . . . . . . . . 4876 1 169 . 1 1 35 35 TYR H H 1 7.73 0.03 . 1 . . . . . . . . . 4876 1 170 . 1 1 35 35 TYR HA H 1 4.06 0.03 . 1 . . . . . . . . . 4876 1 171 . 1 1 35 35 TYR CA C 13 60.93 0.50 . 1 . . . . . . . . . 4876 1 172 . 1 1 35 35 TYR CB C 13 38.17 0.50 . 1 . . . . . . . . . 4876 1 173 . 1 1 35 35 TYR N N 15 113.15 0.25 . 1 . . . . . . . . . 4876 1 174 . 1 1 36 36 GLU H H 1 8.78 0.03 . 1 . . . . . . . . . 4876 1 175 . 1 1 36 36 GLU HA H 1 4.25 0.03 . 1 . . . . . . . . . 4876 1 176 . 1 1 36 36 GLU CA C 13 58.45 0.50 . 1 . . . . . . . . . 4876 1 177 . 1 1 36 36 GLU CB C 13 28.04 0.50 . 1 . . . . . . . . . 4876 1 178 . 1 1 36 36 GLU N N 15 119.19 0.25 . 1 . . . . . . . . . 4876 1 179 . 1 1 37 37 SER H H 1 8.06 0.03 . 1 . . . . . . . . . 4876 1 180 . 1 1 37 37 SER HA H 1 4.57 0.03 . 1 . . . . . . . . . 4876 1 181 . 1 1 37 37 SER CA C 13 57.74 0.50 . 1 . . . . . . . . . 4876 1 182 . 1 1 37 37 SER CB C 13 67.11 0.50 . 1 . . . . . . . . . 4876 1 183 . 1 1 37 37 SER N N 15 108.35 0.25 . 1 . . . . . . . . . 4876 1 184 . 1 1 38 38 ASN H H 1 8.09 0.03 . 1 . . . . . . . . . 4876 1 185 . 1 1 38 38 ASN HA H 1 4.29 0.03 . 1 . . . . . . . . . 4876 1 186 . 1 1 38 38 ASN CA C 13 54.65 0.50 . 1 . . . . . . . . . 4876 1 187 . 1 1 38 38 ASN CB C 13 37.81 0.50 . 1 . . . . . . . . . 4876 1 188 . 1 1 38 38 ASN N N 15 125.25 0.25 . 1 . . . . . . . . . 4876 1 189 . 1 1 39 39 PHE H H 1 7.26 0.03 . 1 . . . . . . . . . 4876 1 190 . 1 1 39 39 PHE HA H 1 3.75 0.03 . 1 . . . . . . . . . 4876 1 191 . 1 1 39 39 PHE CA C 13 58.36 0.50 . 1 . . . . . . . . . 4876 1 192 . 1 1 39 39 PHE CB C 13 37.98 0.50 . 1 . . . . . . . . . 4876 1 193 . 1 1 39 39 PHE N N 15 104.93 0.25 . 1 . . . . . . . . . 4876 1 194 . 1 1 40 40 ASN H H 1 7.36 0.03 . 1 . . . . . . . . . 4876 1 195 . 1 1 40 40 ASN HA H 1 4.98 0.03 . 1 . . . . . . . . . 4876 1 196 . 1 1 40 40 ASN CA C 13 53.06 0.50 . 1 . . . . . . . . . 4876 1 197 . 1 1 40 40 ASN CB C 13 39.08 0.50 . 1 . . . . . . . . . 4876 1 198 . 1 1 40 40 ASN N N 15 118.29 0.25 . 1 . . . . . . . . . 4876 1 199 . 1 1 41 41 THR H H 1 8.30 0.03 . 1 . . . . . . . . . 4876 1 200 . 1 1 41 41 THR HA H 1 4.08 0.03 . 1 . . . . . . . . . 4876 1 201 . 1 1 41 41 THR CA C 13 64.26 0.50 . 1 . . . . . . . . . 4876 1 202 . 1 1 41 41 THR CB C 13 68.75 0.50 . 1 . . . . . . . . . 4876 1 203 . 1 1 41 41 THR N N 15 116.00 0.25 . 1 . . . . . . . . . 4876 1 204 . 1 1 42 42 GLN H H 1 7.71 0.03 . 1 . . . . . . . . . 4876 1 205 . 1 1 42 42 GLN HA H 1 4.63 0.03 . 1 . . . . . . . . . 4876 1 206 . 1 1 42 42 GLN CA C 13 55.16 0.50 . 1 . . . . . . . . . 4876 1 207 . 1 1 42 42 GLN CB C 13 29.05 0.50 . 1 . . . . . . . . . 4876 1 208 . 1 1 42 42 GLN N N 15 114.86 0.25 . 1 . . . . . . . . . 4876 1 209 . 1 1 43 43 ALA H H 1 7.09 0.03 . 1 . . . . . . . . . 4876 1 210 . 1 1 43 43 ALA HA H 1 4.04 0.03 . 1 . . . . . . . . . 4876 1 211 . 1 1 43 43 ALA CA C 13 53.59 0.50 . 1 . . . . . . . . . 4876 1 212 . 1 1 43 43 ALA CB C 13 19.46 0.50 . 1 . . . . . . . . . 4876 1 213 . 1 1 43 43 ALA N N 15 123.06 0.25 . 1 . . . . . . . . . 4876 1 214 . 1 1 44 44 PHE H H 1 8.30 0.03 . 1 . . . . . . . . . 4876 1 215 . 1 1 44 44 PHE HA H 1 5.10 0.03 . 1 . . . . . . . . . 4876 1 216 . 1 1 44 44 PHE CA C 13 57.01 0.50 . 1 . . . . . . . . . 4876 1 217 . 1 1 44 44 PHE CB C 13 42.50 0.50 . 1 . . . . . . . . . 4876 1 218 . 1 1 44 44 PHE N N 15 120.72 0.25 . 1 . . . . . . . . . 4876 1 219 . 1 1 45 45 ASN H H 1 7.95 0.03 . 1 . . . . . . . . . 4876 1 220 . 1 1 45 45 ASN HA H 1 4.78 0.03 . 1 . . . . . . . . . 4876 1 221 . 1 1 45 45 ASN CA C 13 51.62 0.50 . 1 . . . . . . . . . 4876 1 222 . 1 1 45 45 ASN CB C 13 40.71 0.50 . 1 . . . . . . . . . 4876 1 223 . 1 1 45 45 ASN N N 15 125.07 0.25 . 1 . . . . . . . . . 4876 1 224 . 1 1 46 46 GLY H H 1 8.56 0.03 . 1 . . . . . . . . . 4876 1 225 . 1 1 46 46 GLY HA2 H 1 3.51 0.03 . 1 . . . . . . . . . 4876 1 226 . 1 1 46 46 GLY HA3 H 1 4.14 0.03 . 1 . . . . . . . . . 4876 1 227 . 1 1 46 46 GLY CA C 13 45.42 0.50 . 1 . . . . . . . . . 4876 1 228 . 1 1 46 46 GLY N N 15 112.56 0.25 . 1 . . . . . . . . . 4876 1 229 . 1 1 47 47 ARG H H 1 7.81 0.03 . 1 . . . . . . . . . 4876 1 230 . 1 1 47 47 ARG HA H 1 4.47 0.03 . 1 . . . . . . . . . 4876 1 231 . 1 1 47 47 ARG CA C 13 55.38 0.50 . 1 . . . . . . . . . 4876 1 232 . 1 1 47 47 ARG CB C 13 30.24 0.50 . 1 . . . . . . . . . 4876 1 233 . 1 1 47 47 ARG N N 15 120.62 0.25 . 1 . . . . . . . . . 4876 1 234 . 1 1 48 48 ASN H H 1 8.01 0.03 . 1 . . . . . . . . . 4876 1 235 . 1 1 48 48 ASN HA H 1 4.80 0.03 . 1 . . . . . . . . . 4876 1 236 . 1 1 48 48 ASN CA C 13 53.05 0.50 . 1 . . . . . . . . . 4876 1 237 . 1 1 48 48 ASN CB C 13 40.10 0.50 . 1 . . . . . . . . . 4876 1 238 . 1 1 48 48 ASN N N 15 120.56 0.25 . 1 . . . . . . . . . 4876 1 239 . 1 1 49 49 SER H H 1 8.99 0.03 . 1 . . . . . . . . . 4876 1 240 . 1 1 49 49 SER HA H 1 4.67 0.03 . 1 . . . . . . . . . 4876 1 241 . 1 1 49 49 SER CA C 13 60.80 0.50 . 1 . . . . . . . . . 4876 1 242 . 1 1 49 49 SER CB C 13 62.48 0.50 . 1 . . . . . . . . . 4876 1 243 . 1 1 49 49 SER N N 15 118.32 0.25 . 1 . . . . . . . . . 4876 1 244 . 1 1 50 50 ASN H H 1 8.15 0.03 . 1 . . . . . . . . . 4876 1 245 . 1 1 50 50 ASN HA H 1 4.78 0.03 . 1 . . . . . . . . . 4876 1 246 . 1 1 50 50 ASN CA C 13 52.13 0.50 . 1 . . . . . . . . . 4876 1 247 . 1 1 50 50 ASN CB C 13 38.06 0.50 . 1 . . . . . . . . . 4876 1 248 . 1 1 50 50 ASN N N 15 117.31 0.25 . 1 . . . . . . . . . 4876 1 249 . 1 1 51 51 GLY H H 1 8.08 0.03 . 1 . . . . . . . . . 4876 1 250 . 1 1 51 51 GLY HA2 H 1 3.79 0.03 . 1 . . . . . . . . . 4876 1 251 . 1 1 51 51 GLY HA3 H 1 4.14 0.03 . 1 . . . . . . . . . 4876 1 252 . 1 1 51 51 GLY CA C 13 45.55 0.50 . 1 . . . . . . . . . 4876 1 253 . 1 1 51 51 GLY N N 15 107.34 0.25 . 1 . . . . . . . . . 4876 1 254 . 1 1 52 52 SER H H 1 7.83 0.03 . 1 . . . . . . . . . 4876 1 255 . 1 1 52 52 SER HA H 1 4.45 0.03 . 1 . . . . . . . . . 4876 1 256 . 1 1 52 52 SER CA C 13 57.60 0.50 . 1 . . . . . . . . . 4876 1 257 . 1 1 52 52 SER CB C 13 64.67 0.50 . 1 . . . . . . . . . 4876 1 258 . 1 1 52 52 SER N N 15 115.92 0.25 . 1 . . . . . . . . . 4876 1 259 . 1 1 53 53 SER H H 1 8.49 0.03 . 1 . . . . . . . . . 4876 1 260 . 1 1 53 53 SER HA H 1 4.94 0.03 . 1 . . . . . . . . . 4876 1 261 . 1 1 53 53 SER N N 15 114.30 0.25 . 1 . . . . . . . . . 4876 1 262 . 1 1 54 54 ASP CA C 13 53.14 0.50 . 1 . . . . . . . . . 4876 1 263 . 1 1 54 54 ASP CB C 13 44.21 0.50 . 1 . . . . . . . . . 4876 1 264 . 1 1 55 55 TYR H H 1 9.09 0.03 . 1 . . . . . . . . . 4876 1 265 . 1 1 55 55 TYR HA H 1 4.78 0.03 . 1 . . . . . . . . . 4876 1 266 . 1 1 55 55 TYR CA C 13 59.34 0.50 . 1 . . . . . . . . . 4876 1 267 . 1 1 55 55 TYR CB C 13 43.73 0.50 . 1 . . . . . . . . . 4876 1 268 . 1 1 55 55 TYR N N 15 118.61 0.25 . 1 . . . . . . . . . 4876 1 269 . 1 1 56 56 GLY H H 1 9.09 0.03 . 1 . . . . . . . . . 4876 1 270 . 1 1 56 56 GLY HA2 H 1 4.33 0.03 . 1 . . . . . . . . . 4876 1 271 . 1 1 56 56 GLY HA3 H 1 5.08 0.03 . 1 . . . . . . . . . 4876 1 272 . 1 1 56 56 GLY CA C 13 47.29 0.50 . 1 . . . . . . . . . 4876 1 273 . 1 1 56 56 GLY N N 15 113.62 0.25 . 1 . . . . . . . . . 4876 1 274 . 1 1 57 57 ILE H H 1 9.72 0.03 . 1 . . . . . . . . . 4876 1 275 . 1 1 57 57 ILE HA H 1 4.69 0.03 . 1 . . . . . . . . . 4876 1 276 . 1 1 57 57 ILE CA C 13 61.81 0.50 . 1 . . . . . . . . . 4876 1 277 . 1 1 57 57 ILE CB C 13 38.91 0.50 . 1 . . . . . . . . . 4876 1 278 . 1 1 57 57 ILE N N 15 124.68 0.25 . 1 . . . . . . . . . 4876 1 279 . 1 1 58 58 PHE H H 1 8.97 0.03 . 1 . . . . . . . . . 4876 1 280 . 1 1 58 58 PHE HA H 1 5.04 0.03 . 1 . . . . . . . . . 4876 1 281 . 1 1 58 58 PHE CA C 13 53.10 0.50 . 1 . . . . . . . . . 4876 1 282 . 1 1 58 58 PHE CB C 13 38.06 0.50 . 1 . . . . . . . . . 4876 1 283 . 1 1 58 58 PHE N N 15 117.41 0.25 . 1 . . . . . . . . . 4876 1 284 . 1 1 59 59 GLN H H 1 8.29 0.03 . 1 . . . . . . . . . 4876 1 285 . 1 1 59 59 GLN HA H 1 3.45 0.03 . 1 . . . . . . . . . 4876 1 286 . 1 1 59 59 GLN CA C 13 54.82 0.50 . 1 . . . . . . . . . 4876 1 287 . 1 1 59 59 GLN CB C 13 27.88 0.50 . 1 . . . . . . . . . 4876 1 288 . 1 1 59 59 GLN N N 15 116.28 0.25 . 1 . . . . . . . . . 4876 1 289 . 1 1 60 60 LEU H H 1 7.84 0.03 . 1 . . . . . . . . . 4876 1 290 . 1 1 60 60 LEU HA H 1 4.51 0.03 . 1 . . . . . . . . . 4876 1 291 . 1 1 60 60 LEU CA C 13 55.16 0.50 . 1 . . . . . . . . . 4876 1 292 . 1 1 60 60 LEU CB C 13 43.26 0.50 . 1 . . . . . . . . . 4876 1 293 . 1 1 60 60 LEU N N 15 119.74 0.25 . 1 . . . . . . . . . 4876 1 294 . 1 1 61 61 ASN H H 1 9.42 0.03 . 1 . . . . . . . . . 4876 1 295 . 1 1 61 61 ASN HA H 1 4.96 0.03 . 1 . . . . . . . . . 4876 1 296 . 1 1 61 61 ASN N N 15 118.47 0.25 . 1 . . . . . . . . . 4876 1 297 . 1 1 62 62 SER HA H 1 3.41 0.03 . 1 . . . . . . . . . 4876 1 298 . 1 1 62 62 SER CA C 13 60.09 0.50 . 1 . . . . . . . . . 4876 1 299 . 1 1 63 63 LYS H H 1 8.59 0.03 . 1 . . . . . . . . . 4876 1 300 . 1 1 63 63 LYS HA H 1 4.37 0.03 . 1 . . . . . . . . . 4876 1 301 . 1 1 63 63 LYS CA C 13 58.22 0.50 . 1 . . . . . . . . . 4876 1 302 . 1 1 63 63 LYS CB C 13 32.64 0.50 . 1 . . . . . . . . . 4876 1 303 . 1 1 63 63 LYS N N 15 123.35 0.25 . 1 . . . . . . . . . 4876 1 304 . 1 1 64 64 TRP H H 1 7.25 0.03 . 1 . . . . . . . . . 4876 1 305 . 1 1 64 64 TRP HA H 1 4.71 0.03 . 1 . . . . . . . . . 4876 1 306 . 1 1 64 64 TRP CA C 13 56.43 0.50 . 1 . . . . . . . . . 4876 1 307 . 1 1 64 64 TRP CB C 13 30.62 0.50 . 1 . . . . . . . . . 4876 1 308 . 1 1 64 64 TRP N N 15 114.40 0.25 . 1 . . . . . . . . . 4876 1 309 . 1 1 65 65 TRP H H 1 7.50 0.03 . 1 . . . . . . . . . 4876 1 310 . 1 1 65 65 TRP HA H 1 5.02 0.03 . 1 . . . . . . . . . 4876 1 311 . 1 1 65 65 TRP CA C 13 59.16 0.50 . 1 . . . . . . . . . 4876 1 312 . 1 1 65 65 TRP CB C 13 31.95 0.50 . 1 . . . . . . . . . 4876 1 313 . 1 1 65 65 TRP N N 15 115.39 0.25 . 1 . . . . . . . . . 4876 1 314 . 1 1 66 66 CYS H H 1 7.59 0.03 . 1 . . . . . . . . . 4876 1 315 . 1 1 66 66 CYS HA H 1 5.71 0.03 . 1 . . . . . . . . . 4876 1 316 . 1 1 66 66 CYS CA C 13 52.68 0.50 . 1 . . . . . . . . . 4876 1 317 . 1 1 66 66 CYS CB C 13 46.59 0.50 . 1 . . . . . . . . . 4876 1 318 . 1 1 66 66 CYS N N 15 110.99 0.25 . 1 . . . . . . . . . 4876 1 319 . 1 1 67 67 LYS H H 1 8.64 0.03 . 1 . . . . . . . . . 4876 1 320 . 1 1 67 67 LYS HA H 1 4.57 0.03 . 1 . . . . . . . . . 4876 1 321 . 1 1 67 67 LYS CA C 13 55.24 0.50 . 1 . . . . . . . . . 4876 1 322 . 1 1 67 67 LYS CB C 13 34.70 0.50 . 1 . . . . . . . . . 4876 1 323 . 1 1 67 67 LYS N N 15 121.98 0.25 . 1 . . . . . . . . . 4876 1 324 . 1 1 68 68 SER H H 1 9.25 0.03 . 1 . . . . . . . . . 4876 1 325 . 1 1 68 68 SER HA H 1 4.67 0.03 . 1 . . . . . . . . . 4876 1 326 . 1 1 68 68 SER CA C 13 56.92 0.50 . 1 . . . . . . . . . 4876 1 327 . 1 1 68 68 SER CB C 13 65.38 0.50 . 1 . . . . . . . . . 4876 1 328 . 1 1 68 68 SER N N 15 124.94 0.25 . 1 . . . . . . . . . 4876 1 329 . 1 1 69 69 ASN H H 1 8.60 0.03 . 1 . . . . . . . . . 4876 1 330 . 1 1 69 69 ASN HA H 1 4.71 0.03 . 1 . . . . . . . . . 4876 1 331 . 1 1 69 69 ASN CA C 13 54.12 0.50 . 1 . . . . . . . . . 4876 1 332 . 1 1 69 69 ASN CB C 13 38.32 0.50 . 1 . . . . . . . . . 4876 1 333 . 1 1 69 69 ASN N N 15 119.30 0.25 . 1 . . . . . . . . . 4876 1 334 . 1 1 70 70 SER H H 1 8.25 0.03 . 1 . . . . . . . . . 4876 1 335 . 1 1 70 70 SER CA C 13 58.85 0.50 . 1 . . . . . . . . . 4876 1 336 . 1 1 70 70 SER CB C 13 63.03 0.50 . 1 . . . . . . . . . 4876 1 337 . 1 1 70 70 SER N N 15 112.64 0.25 . 1 . . . . . . . . . 4876 1 338 . 1 1 71 71 HIS H H 1 7.92 0.03 . 1 . . . . . . . . . 4876 1 339 . 1 1 71 71 HIS HA H 1 4.43 0.03 . 1 . . . . . . . . . 4876 1 340 . 1 1 71 71 HIS CA C 13 55.36 0.50 . 1 . . . . . . . . . 4876 1 341 . 1 1 71 71 HIS CB C 13 30.05 0.50 . 1 . . . . . . . . . 4876 1 342 . 1 1 71 71 HIS N N 15 118.00 0.25 . 1 . . . . . . . . . 4876 1 343 . 1 1 72 72 SER H H 1 8.57 0.03 . 1 . . . . . . . . . 4876 1 344 . 1 1 72 72 SER HA H 1 3.88 0.03 . 1 . . . . . . . . . 4876 1 345 . 1 1 72 72 SER CA C 13 58.66 0.50 . 1 . . . . . . . . . 4876 1 346 . 1 1 72 72 SER CB C 13 62.93 0.50 . 1 . . . . . . . . . 4876 1 347 . 1 1 72 72 SER N N 15 118.56 0.25 . 1 . . . . . . . . . 4876 1 348 . 1 1 73 73 SER H H 1 8.26 0.03 . 1 . . . . . . . . . 4876 1 349 . 1 1 73 73 SER HA H 1 4.74 0.03 . 1 . . . . . . . . . 4876 1 350 . 1 1 73 73 SER CA C 13 56.38 0.50 . 1 . . . . . . . . . 4876 1 351 . 1 1 73 73 SER CB C 13 64.83 0.50 . 1 . . . . . . . . . 4876 1 352 . 1 1 73 73 SER N N 15 115.72 0.25 . 1 . . . . . . . . . 4876 1 353 . 1 1 74 74 ALA H H 1 7.95 0.03 . 1 . . . . . . . . . 4876 1 354 . 1 1 74 74 ALA HA H 1 4.12 0.03 . 1 . . . . . . . . . 4876 1 355 . 1 1 74 74 ALA CA C 13 54.06 0.50 . 1 . . . . . . . . . 4876 1 356 . 1 1 74 74 ALA CB C 13 18.19 0.50 . 1 . . . . . . . . . 4876 1 357 . 1 1 74 74 ALA N N 15 127.37 0.25 . 1 . . . . . . . . . 4876 1 358 . 1 1 75 75 ASN H H 1 8.56 0.03 . 1 . . . . . . . . . 4876 1 359 . 1 1 75 75 ASN HA H 1 3.69 0.03 . 1 . . . . . . . . . 4876 1 360 . 1 1 75 75 ASN CA C 13 51.88 0.50 . 1 . . . . . . . . . 4876 1 361 . 1 1 75 75 ASN CB C 13 37.10 0.50 . 1 . . . . . . . . . 4876 1 362 . 1 1 75 75 ASN N N 15 113.68 0.25 . 1 . . . . . . . . . 4876 1 363 . 1 1 76 76 ALA H H 1 8.59 0.03 . 1 . . . . . . . . . 4876 1 364 . 1 1 76 76 ALA HA H 1 4.12 0.03 . 1 . . . . . . . . . 4876 1 365 . 1 1 76 76 ALA CA C 13 55.28 0.50 . 1 . . . . . . . . . 4876 1 366 . 1 1 76 76 ALA CB C 13 19.31 0.50 . 1 . . . . . . . . . 4876 1 367 . 1 1 76 76 ALA N N 15 120.08 0.25 . 1 . . . . . . . . . 4876 1 368 . 1 1 77 77 CYS H H 1 9.04 0.03 . 1 . . . . . . . . . 4876 1 369 . 1 1 77 77 CYS HA H 1 4.55 0.03 . 1 . . . . . . . . . 4876 1 370 . 1 1 77 77 CYS CA C 13 55.32 0.50 . 1 . . . . . . . . . 4876 1 371 . 1 1 77 77 CYS CB C 13 40.00 0.50 . 1 . . . . . . . . . 4876 1 372 . 1 1 77 77 CYS N N 15 111.29 0.25 . 1 . . . . . . . . . 4876 1 373 . 1 1 78 78 ASN H H 1 8.00 0.03 . 1 . . . . . . . . . 4876 1 374 . 1 1 78 78 ASN HA H 1 4.16 0.03 . 1 . . . . . . . . . 4876 1 375 . 1 1 78 78 ASN CA C 13 53.39 0.50 . 1 . . . . . . . . . 4876 1 376 . 1 1 78 78 ASN CB C 13 36.64 0.50 . 1 . . . . . . . . . 4876 1 377 . 1 1 78 78 ASN N N 15 120.21 0.25 . 1 . . . . . . . . . 4876 1 378 . 1 1 79 79 ILE H H 1 9.28 0.03 . 1 . . . . . . . . . 4876 1 379 . 1 1 79 79 ILE HA H 1 4.33 0.03 . 1 . . . . . . . . . 4876 1 380 . 1 1 79 79 ILE CA C 13 60.21 0.50 . 1 . . . . . . . . . 4876 1 381 . 1 1 79 79 ILE CB C 13 41.60 0.50 . 1 . . . . . . . . . 4876 1 382 . 1 1 79 79 ILE N N 15 121.31 0.25 . 1 . . . . . . . . . 4876 1 383 . 1 1 80 80 MET H H 1 7.77 0.03 . 1 . . . . . . . . . 4876 1 384 . 1 1 80 80 MET HA H 1 4.90 0.03 . 1 . . . . . . . . . 4876 1 385 . 1 1 80 80 MET CA C 13 54.09 0.50 . 1 . . . . . . . . . 4876 1 386 . 1 1 80 80 MET CB C 13 31.68 0.50 . 1 . . . . . . . . . 4876 1 387 . 1 1 80 80 MET N N 15 123.25 0.25 . 1 . . . . . . . . . 4876 1 388 . 1 1 81 81 CYS H H 1 8.66 0.03 . 1 . . . . . . . . . 4876 1 389 . 1 1 81 81 CYS HA H 1 4.55 0.03 . 1 . . . . . . . . . 4876 1 390 . 1 1 81 81 CYS CA C 13 55.84 0.50 . 1 . . . . . . . . . 4876 1 391 . 1 1 81 81 CYS CB C 13 37.54 0.50 . 1 . . . . . . . . . 4876 1 392 . 1 1 81 81 CYS N N 15 121.83 0.25 . 1 . . . . . . . . . 4876 1 393 . 1 1 82 82 SER H H 1 8.10 0.03 . 1 . . . . . . . . . 4876 1 394 . 1 1 82 82 SER HA H 1 3.82 0.03 . 1 . . . . . . . . . 4876 1 395 . 1 1 82 82 SER N N 15 112.28 0.25 . 1 . . . . . . . . . 4876 1 396 . 1 1 83 83 LYS CA C 13 56.09 0.50 . 1 . . . . . . . . . 4876 1 397 . 1 1 83 83 LYS CB C 13 29.73 0.50 . 1 . . . . . . . . . 4876 1 398 . 1 1 84 84 PHE H H 1 8.33 0.03 . 1 . . . . . . . . . 4876 1 399 . 1 1 84 84 PHE HA H 1 5.65 0.03 . 1 . . . . . . . . . 4876 1 400 . 1 1 84 84 PHE CA C 13 53.64 0.50 . 1 . . . . . . . . . 4876 1 401 . 1 1 84 84 PHE CB C 13 37.48 0.50 . 1 . . . . . . . . . 4876 1 402 . 1 1 84 84 PHE N N 15 121.77 0.25 . 1 . . . . . . . . . 4876 1 403 . 1 1 85 85 LEU H H 1 7.11 0.03 . 1 . . . . . . . . . 4876 1 404 . 1 1 85 85 LEU HA H 1 5.71 0.03 . 1 . . . . . . . . . 4876 1 405 . 1 1 85 85 LEU CA C 13 52.87 0.50 . 1 . . . . . . . . . 4876 1 406 . 1 1 85 85 LEU CB C 13 43.53 0.50 . 1 . . . . . . . . . 4876 1 407 . 1 1 85 85 LEU N N 15 113.86 0.25 . 1 . . . . . . . . . 4876 1 408 . 1 1 86 86 ASP H H 1 7.50 0.03 . 1 . . . . . . . . . 4876 1 409 . 1 1 86 86 ASP HA H 1 4.86 0.03 . 1 . . . . . . . . . 4876 1 410 . 1 1 86 86 ASP CA C 13 52.15 0.50 . 1 . . . . . . . . . 4876 1 411 . 1 1 86 86 ASP CB C 13 41.83 0.50 . 1 . . . . . . . . . 4876 1 412 . 1 1 86 86 ASP N N 15 119.49 0.25 . 1 . . . . . . . . . 4876 1 413 . 1 1 87 87 ASP H H 1 7.90 0.03 . 1 . . . . . . . . . 4876 1 414 . 1 1 87 87 ASP HA H 1 4.47 0.03 . 1 . . . . . . . . . 4876 1 415 . 1 1 87 87 ASP CA C 13 55.36 0.50 . 1 . . . . . . . . . 4876 1 416 . 1 1 87 87 ASP CB C 13 40.59 0.50 . 1 . . . . . . . . . 4876 1 417 . 1 1 87 87 ASP N N 15 114.47 0.25 . 1 . . . . . . . . . 4876 1 418 . 1 1 88 88 ASN H H 1 7.21 0.03 . 1 . . . . . . . . . 4876 1 419 . 1 1 88 88 ASN HA H 1 4.98 0.03 . 1 . . . . . . . . . 4876 1 420 . 1 1 88 88 ASN CA C 13 51.62 0.50 . 1 . . . . . . . . . 4876 1 421 . 1 1 88 88 ASN CB C 13 39.66 0.50 . 1 . . . . . . . . . 4876 1 422 . 1 1 88 88 ASN N N 15 115.70 0.25 . 1 . . . . . . . . . 4876 1 423 . 1 1 89 89 ILE H H 1 9.22 0.03 . 1 . . . . . . . . . 4876 1 424 . 1 1 89 89 ILE HA H 1 5.10 0.03 . 1 . . . . . . . . . 4876 1 425 . 1 1 89 89 ILE CA C 13 61.16 0.50 . 1 . . . . . . . . . 4876 1 426 . 1 1 89 89 ILE CB C 13 38.70 0.50 . 1 . . . . . . . . . 4876 1 427 . 1 1 89 89 ILE N N 15 121.32 0.25 . 1 . . . . . . . . . 4876 1 428 . 1 1 90 90 ASP H H 1 8.46 0.03 . 1 . . . . . . . . . 4876 1 429 . 1 1 90 90 ASP HA H 1 4.20 0.03 . 1 . . . . . . . . . 4876 1 430 . 1 1 90 90 ASP CA C 13 58.80 0.50 . 1 . . . . . . . . . 4876 1 431 . 1 1 90 90 ASP CB C 13 38.65 0.50 . 1 . . . . . . . . . 4876 1 432 . 1 1 90 90 ASP N N 15 124.68 0.25 . 1 . . . . . . . . . 4876 1 433 . 1 1 91 91 ASP H H 1 8.55 0.03 . 1 . . . . . . . . . 4876 1 434 . 1 1 91 91 ASP HA H 1 5.35 0.03 . 1 . . . . . . . . . 4876 1 435 . 1 1 91 91 ASP CA C 13 55.58 0.50 . 1 . . . . . . . . . 4876 1 436 . 1 1 91 91 ASP CB C 13 37.73 0.50 . 1 . . . . . . . . . 4876 1 437 . 1 1 91 91 ASP N N 15 120.88 0.25 . 1 . . . . . . . . . 4876 1 438 . 1 1 92 92 ASP H H 1 10.19 0.03 . 1 . . . . . . . . . 4876 1 439 . 1 1 92 92 ASP HA H 1 4.61 0.03 . 1 . . . . . . . . . 4876 1 440 . 1 1 92 92 ASP CA C 13 57.60 0.50 . 1 . . . . . . . . . 4876 1 441 . 1 1 92 92 ASP CB C 13 38.37 0.50 . 1 . . . . . . . . . 4876 1 442 . 1 1 92 92 ASP N N 15 125.59 0.25 . 1 . . . . . . . . . 4876 1 443 . 1 1 93 93 ILE H H 1 8.95 0.03 . 1 . . . . . . . . . 4876 1 444 . 1 1 93 93 ILE HA H 1 3.33 0.03 . 1 . . . . . . . . . 4876 1 445 . 1 1 93 93 ILE CA C 13 65.64 0.50 . 1 . . . . . . . . . 4876 1 446 . 1 1 93 93 ILE CB C 13 38.06 0.50 . 1 . . . . . . . . . 4876 1 447 . 1 1 93 93 ILE N N 15 117.92 0.25 . 1 . . . . . . . . . 4876 1 448 . 1 1 94 94 ALA H H 1 7.74 0.03 . 1 . . . . . . . . . 4876 1 449 . 1 1 94 94 ALA HA H 1 3.82 0.03 . 1 . . . . . . . . . 4876 1 450 . 1 1 94 94 ALA CA C 13 55.28 0.50 . 1 . . . . . . . . . 4876 1 451 . 1 1 94 94 ALA CB C 13 17.68 0.50 . 1 . . . . . . . . . 4876 1 452 . 1 1 94 94 ALA N N 15 121.18 0.25 . 1 . . . . . . . . . 4876 1 453 . 1 1 95 95 CYS H H 1 8.17 0.03 . 1 . . . . . . . . . 4876 1 454 . 1 1 95 95 CYS HA H 1 4.97 0.03 . 1 . . . . . . . . . 4876 1 455 . 1 1 95 95 CYS CA C 13 55.62 0.50 . 1 . . . . . . . . . 4876 1 456 . 1 1 95 95 CYS CB C 13 35.20 0.50 . 1 . . . . . . . . . 4876 1 457 . 1 1 95 95 CYS N N 15 115.67 0.25 . 1 . . . . . . . . . 4876 1 458 . 1 1 96 96 ALA H H 1 8.76 0.03 . 1 . . . . . . . . . 4876 1 459 . 1 1 96 96 ALA HA H 1 3.82 0.03 . 1 . . . . . . . . . 4876 1 460 . 1 1 96 96 ALA CA C 13 55.76 0.50 . 1 . . . . . . . . . 4876 1 461 . 1 1 96 96 ALA CB C 13 17.27 0.50 . 1 . . . . . . . . . 4876 1 462 . 1 1 96 96 ALA N N 15 124.62 0.25 . 1 . . . . . . . . . 4876 1 463 . 1 1 97 97 LYS H H 1 7.91 0.03 . 1 . . . . . . . . . 4876 1 464 . 1 1 97 97 LYS HA H 1 3.57 0.03 . 1 . . . . . . . . . 4876 1 465 . 1 1 97 97 LYS CA C 13 59.87 0.50 . 1 . . . . . . . . . 4876 1 466 . 1 1 97 97 LYS CB C 13 33.35 0.50 . 1 . . . . . . . . . 4876 1 467 . 1 1 97 97 LYS N N 15 113.34 0.25 . 1 . . . . . . . . . 4876 1 468 . 1 1 98 98 ARG H H 1 7.21 0.03 . 1 . . . . . . . . . 4876 1 469 . 1 1 98 98 ARG HA H 1 4.14 0.03 . 1 . . . . . . . . . 4876 1 470 . 1 1 98 98 ARG CA C 13 57.77 0.50 . 1 . . . . . . . . . 4876 1 471 . 1 1 98 98 ARG CB C 13 29.14 0.50 . 1 . . . . . . . . . 4876 1 472 . 1 1 98 98 ARG N N 15 117.93 0.25 . 1 . . . . . . . . . 4876 1 473 . 1 1 99 99 VAL H H 1 8.17 0.03 . 1 . . . . . . . . . 4876 1 474 . 1 1 99 99 VAL HA H 1 2.59 0.03 . 1 . . . . . . . . . 4876 1 475 . 1 1 99 99 VAL CA C 13 65.16 0.50 . 1 . . . . . . . . . 4876 1 476 . 1 1 99 99 VAL N N 15 123.05 0.25 . 1 . . . . . . . . . 4876 1 477 . 1 1 100 100 VAL H H 1 7.33 0.03 . 1 . . . . . . . . . 4876 1 478 . 1 1 100 100 VAL HA H 1 3.57 0.03 . 1 . . . . . . . . . 4876 1 479 . 1 1 100 100 VAL CA C 13 62.82 0.50 . 1 . . . . . . . . . 4876 1 480 . 1 1 100 100 VAL CB C 13 32.51 0.50 . 1 . . . . . . . . . 4876 1 481 . 1 1 100 100 VAL N N 15 113.08 0.25 . 1 . . . . . . . . . 4876 1 482 . 1 1 101 101 LYS H H 1 7.06 0.03 . 1 . . . . . . . . . 4876 1 483 . 1 1 101 101 LYS HA H 1 3.67 0.03 . 1 . . . . . . . . . 4876 1 484 . 1 1 101 101 LYS CA C 13 57.01 0.50 . 1 . . . . . . . . . 4876 1 485 . 1 1 101 101 LYS CB C 13 32.51 0.50 . 1 . . . . . . . . . 4876 1 486 . 1 1 101 101 LYS N N 15 116.64 0.25 . 1 . . . . . . . . . 4876 1 487 . 1 1 102 102 ASP H H 1 7.39 0.03 . 1 . . . . . . . . . 4876 1 488 . 1 1 102 102 ASP HA H 1 4.82 0.03 . 1 . . . . . . . . . 4876 1 489 . 1 1 102 102 ASP CA C 13 54.07 0.50 . 1 . . . . . . . . . 4876 1 490 . 1 1 102 102 ASP CB C 13 40.25 0.50 . 1 . . . . . . . . . 4876 1 491 . 1 1 102 102 ASP N N 15 121.36 0.25 . 1 . . . . . . . . . 4876 1 492 . 1 1 103 103 PRO HA H 1 4.29 0.03 . 1 . . . . . . . . . 4876 1 493 . 1 1 103 103 PRO CA C 13 65.67 0.50 . 1 . . . . . . . . . 4876 1 494 . 1 1 103 103 PRO CB C 13 32.20 0.50 . 1 . . . . . . . . . 4876 1 495 . 1 1 104 104 ASN H H 1 8.45 0.03 . 1 . . . . . . . . . 4876 1 496 . 1 1 104 104 ASN HA H 1 4.61 0.03 . 1 . . . . . . . . . 4876 1 497 . 1 1 104 104 ASN CA C 13 53.66 0.50 . 1 . . . . . . . . . 4876 1 498 . 1 1 104 104 ASN CB C 13 37.86 0.50 . 1 . . . . . . . . . 4876 1 499 . 1 1 104 104 ASN N N 15 112.78 0.25 . 1 . . . . . . . . . 4876 1 500 . 1 1 105 105 GLY H H 1 8.36 0.03 . 1 . . . . . . . . . 4876 1 501 . 1 1 105 105 GLY HA2 H 1 4.02 0.03 . 1 . . . . . . . . . 4876 1 502 . 1 1 105 105 GLY HA3 H 1 4.29 0.03 . 1 . . . . . . . . . 4876 1 503 . 1 1 105 105 GLY CA C 13 46.65 0.50 . 1 . . . . . . . . . 4876 1 504 . 1 1 105 105 GLY N N 15 109.84 0.25 . 1 . . . . . . . . . 4876 1 505 . 1 1 106 106 MET H H 1 7.41 0.03 . 1 . . . . . . . . . 4876 1 506 . 1 1 106 106 MET HA H 1 3.69 0.03 . 1 . . . . . . . . . 4876 1 507 . 1 1 106 106 MET CA C 13 57.60 0.50 . 1 . . . . . . . . . 4876 1 508 . 1 1 106 106 MET CB C 13 30.57 0.50 . 1 . . . . . . . . . 4876 1 509 . 1 1 106 106 MET N N 15 122.60 0.25 . 1 . . . . . . . . . 4876 1 510 . 1 1 107 107 SER H H 1 7.90 0.03 . 1 . . . . . . . . . 4876 1 511 . 1 1 107 107 SER HA H 1 4.37 0.03 . 1 . . . . . . . . . 4876 1 512 . 1 1 107 107 SER CA C 13 60.82 0.50 . 1 . . . . . . . . . 4876 1 513 . 1 1 107 107 SER CB C 13 62.10 0.50 . 1 . . . . . . . . . 4876 1 514 . 1 1 107 107 SER N N 15 112.74 0.25 . 1 . . . . . . . . . 4876 1 515 . 1 1 108 108 ALA H H 1 6.76 0.03 . 1 . . . . . . . . . 4876 1 516 . 1 1 108 108 ALA HA H 1 3.82 0.03 . 1 . . . . . . . . . 4876 1 517 . 1 1 108 108 ALA CA C 13 53.87 0.50 . 1 . . . . . . . . . 4876 1 518 . 1 1 108 108 ALA CB C 13 18.95 0.50 . 1 . . . . . . . . . 4876 1 519 . 1 1 108 108 ALA N N 15 121.17 0.25 . 1 . . . . . . . . . 4876 1 520 . 1 1 109 109 TRP H H 1 8.05 0.03 . 1 . . . . . . . . . 4876 1 521 . 1 1 109 109 TRP HA H 1 4.67 0.03 . 1 . . . . . . . . . 4876 1 522 . 1 1 109 109 TRP CA C 13 59.96 0.50 . 1 . . . . . . . . . 4876 1 523 . 1 1 109 109 TRP CB C 13 28.18 0.50 . 1 . . . . . . . . . 4876 1 524 . 1 1 109 109 TRP N N 15 118.28 0.25 . 1 . . . . . . . . . 4876 1 525 . 1 1 110 110 VAL H H 1 9.00 0.03 . 1 . . . . . . . . . 4876 1 526 . 1 1 110 110 VAL HA H 1 3.84 0.03 . 1 . . . . . . . . . 4876 1 527 . 1 1 110 110 VAL CA C 13 65.77 0.50 . 1 . . . . . . . . . 4876 1 528 . 1 1 110 110 VAL CB C 13 31.33 0.50 . 1 . . . . . . . . . 4876 1 529 . 1 1 110 110 VAL N N 15 127.25 0.25 . 1 . . . . . . . . . 4876 1 530 . 1 1 111 111 ALA H H 1 8.24 0.03 . 1 . . . . . . . . . 4876 1 531 . 1 1 111 111 ALA HA H 1 4.39 0.03 . 1 . . . . . . . . . 4876 1 532 . 1 1 111 111 ALA CA C 13 54.91 0.50 . 1 . . . . . . . . . 4876 1 533 . 1 1 111 111 ALA CB C 13 18.70 0.50 . 1 . . . . . . . . . 4876 1 534 . 1 1 111 111 ALA N N 15 119.31 0.25 . 1 . . . . . . . . . 4876 1 535 . 1 1 112 112 TRP H H 1 7.63 0.03 . 1 . . . . . . . . . 4876 1 536 . 1 1 112 112 TRP HA H 1 3.86 0.03 . 1 . . . . . . . . . 4876 1 537 . 1 1 112 112 TRP CA C 13 61.39 0.50 . 1 . . . . . . . . . 4876 1 538 . 1 1 112 112 TRP CB C 13 28.21 0.50 . 1 . . . . . . . . . 4876 1 539 . 1 1 112 112 TRP N N 15 116.56 0.25 . 1 . . . . . . . . . 4876 1 540 . 1 1 113 113 VAL H H 1 7.97 0.03 . 1 . . . . . . . . . 4876 1 541 . 1 1 113 113 VAL HA H 1 2.92 0.03 . 1 . . . . . . . . . 4876 1 542 . 1 1 113 113 VAL CA C 13 66.53 0.50 . 1 . . . . . . . . . 4876 1 543 . 1 1 113 113 VAL CB C 13 31.41 0.50 . 1 . . . . . . . . . 4876 1 544 . 1 1 113 113 VAL N N 15 122.88 0.25 . 1 . . . . . . . . . 4876 1 545 . 1 1 114 114 LYS H H 1 7.82 0.03 . 1 . . . . . . . . . 4876 1 546 . 1 1 114 114 LYS HA H 1 3.75 0.03 . 1 . . . . . . . . . 4876 1 547 . 1 1 114 114 LYS CA C 13 58.18 0.50 . 1 . . . . . . . . . 4876 1 548 . 1 1 114 114 LYS CB C 13 33.52 0.50 . 1 . . . . . . . . . 4876 1 549 . 1 1 114 114 LYS N N 15 113.93 0.25 . 1 . . . . . . . . . 4876 1 550 . 1 1 115 115 HIS H H 1 7.39 0.03 . 1 . . . . . . . . . 4876 1 551 . 1 1 115 115 HIS HA H 1 4.29 0.03 . 1 . . . . . . . . . 4876 1 552 . 1 1 115 115 HIS CA C 13 55.70 0.50 . 1 . . . . . . . . . 4876 1 553 . 1 1 115 115 HIS CB C 13 30.06 0.50 . 1 . . . . . . . . . 4876 1 554 . 1 1 115 115 HIS N N 15 110.37 0.25 . 1 . . . . . . . . . 4876 1 555 . 1 1 116 116 CYS H H 1 7.57 0.03 . 1 . . . . . . . . . 4876 1 556 . 1 1 116 116 CYS HA H 1 4.33 0.03 . 1 . . . . . . . . . 4876 1 557 . 1 1 116 116 CYS CA C 13 55.38 0.50 . 1 . . . . . . . . . 4876 1 558 . 1 1 116 116 CYS CB C 13 45.67 0.50 . 1 . . . . . . . . . 4876 1 559 . 1 1 116 116 CYS N N 15 115.20 0.25 . 1 . . . . . . . . . 4876 1 560 . 1 1 117 117 LYS H H 1 6.79 0.03 . 1 . . . . . . . . . 4876 1 561 . 1 1 117 117 LYS HA H 1 3.27 0.03 . 1 . . . . . . . . . 4876 1 562 . 1 1 117 117 LYS CA C 13 57.77 0.50 . 1 . . . . . . . . . 4876 1 563 . 1 1 117 117 LYS CB C 13 32.00 0.50 . 1 . . . . . . . . . 4876 1 564 . 1 1 117 117 LYS N N 15 121.28 0.25 . 1 . . . . . . . . . 4876 1 565 . 1 1 118 118 GLY H H 1 8.70 0.03 . 1 . . . . . . . . . 4876 1 566 . 1 1 118 118 GLY HA2 H 1 3.71 0.03 . 1 . . . . . . . . . 4876 1 567 . 1 1 118 118 GLY HA3 H 1 3.94 0.03 . 1 . . . . . . . . . 4876 1 568 . 1 1 118 118 GLY CA C 13 45.56 0.50 . 1 . . . . . . . . . 4876 1 569 . 1 1 118 118 GLY N N 15 114.30 0.25 . 1 . . . . . . . . . 4876 1 570 . 1 1 119 119 LYS H H 1 7.29 0.03 . 1 . . . . . . . . . 4876 1 571 . 1 1 119 119 LYS HA H 1 4.26 0.03 . 1 . . . . . . . . . 4876 1 572 . 1 1 119 119 LYS CA C 13 54.01 0.50 . 1 . . . . . . . . . 4876 1 573 . 1 1 119 119 LYS CB C 13 33.26 0.50 . 1 . . . . . . . . . 4876 1 574 . 1 1 119 119 LYS N N 15 119.38 0.25 . 1 . . . . . . . . . 4876 1 575 . 1 1 120 120 ASP H H 1 8.53 0.03 . 1 . . . . . . . . . 4876 1 576 . 1 1 120 120 ASP HA H 1 4.61 0.03 . 1 . . . . . . . . . 4876 1 577 . 1 1 120 120 ASP CA C 13 53.48 0.50 . 1 . . . . . . . . . 4876 1 578 . 1 1 120 120 ASP CB C 13 39.58 0.50 . 1 . . . . . . . . . 4876 1 579 . 1 1 120 120 ASP N N 15 119.08 0.25 . 1 . . . . . . . . . 4876 1 580 . 1 1 121 121 LEU H H 1 8.80 0.03 . 1 . . . . . . . . . 4876 1 581 . 1 1 121 121 LEU HA H 1 4.69 0.03 . 1 . . . . . . . . . 4876 1 582 . 1 1 121 121 LEU CA C 13 53.44 0.50 . 1 . . . . . . . . . 4876 1 583 . 1 1 121 121 LEU CB C 13 41.12 0.50 . 1 . . . . . . . . . 4876 1 584 . 1 1 121 121 LEU N N 15 129.50 0.25 . 1 . . . . . . . . . 4876 1 585 . 1 1 122 122 SER H H 1 8.77 0.03 . 1 . . . . . . . . . 4876 1 586 . 1 1 122 122 SER HA H 1 4.12 0.03 . 1 . . . . . . . . . 4876 1 587 . 1 1 122 122 SER CA C 13 62.32 0.50 . 1 . . . . . . . . . 4876 1 588 . 1 1 122 122 SER CB C 13 60.70 0.50 . 1 . . . . . . . . . 4876 1 589 . 1 1 122 122 SER N N 15 119.05 0.25 . 1 . . . . . . . . . 4876 1 590 . 1 1 123 123 LYS H H 1 8.72 0.03 . 1 . . . . . . . . . 4876 1 591 . 1 1 123 123 LYS HA H 1 4.74 0.03 . 1 . . . . . . . . . 4876 1 592 . 1 1 123 123 LYS CA C 13 54.90 0.50 . 1 . . . . . . . . . 4876 1 593 . 1 1 123 123 LYS CB C 13 32.17 0.50 . 1 . . . . . . . . . 4876 1 594 . 1 1 123 123 LYS N N 15 119.24 0.25 . 1 . . . . . . . . . 4876 1 595 . 1 1 124 124 TYR H H 1 7.68 0.03 . 1 . . . . . . . . . 4876 1 596 . 1 1 124 124 TYR HA H 1 4.41 0.03 . 1 . . . . . . . . . 4876 1 597 . 1 1 124 124 TYR CA C 13 60.88 0.50 . 1 . . . . . . . . . 4876 1 598 . 1 1 124 124 TYR CB C 13 40.00 0.50 . 1 . . . . . . . . . 4876 1 599 . 1 1 124 124 TYR N N 15 124.60 0.25 . 1 . . . . . . . . . 4876 1 600 . 1 1 125 125 LEU H H 1 9.01 0.03 . 1 . . . . . . . . . 4876 1 601 . 1 1 125 125 LEU HA H 1 4.51 0.03 . 1 . . . . . . . . . 4876 1 602 . 1 1 125 125 LEU CA C 13 52.49 0.50 . 1 . . . . . . . . . 4876 1 603 . 1 1 125 125 LEU CB C 13 40.85 0.50 . 1 . . . . . . . . . 4876 1 604 . 1 1 125 125 LEU N N 15 114.63 0.25 . 1 . . . . . . . . . 4876 1 605 . 1 1 126 126 ALA H H 1 7.40 0.03 . 1 . . . . . . . . . 4876 1 606 . 1 1 126 126 ALA HA H 1 4.10 0.03 . 1 . . . . . . . . . 4876 1 607 . 1 1 126 126 ALA CA C 13 55.59 0.50 . 1 . . . . . . . . . 4876 1 608 . 1 1 126 126 ALA CB C 13 18.60 0.50 . 1 . . . . . . . . . 4876 1 609 . 1 1 126 126 ALA N N 15 124.86 0.25 . 1 . . . . . . . . . 4876 1 610 . 1 1 127 127 SER H H 1 8.57 0.03 . 1 . . . . . . . . . 4876 1 611 . 1 1 127 127 SER HA H 1 4.34 0.03 . 1 . . . . . . . . . 4876 1 612 . 1 1 127 127 SER CA C 13 59.41 0.50 . 1 . . . . . . . . . 4876 1 613 . 1 1 127 127 SER CB C 13 62.48 0.50 . 1 . . . . . . . . . 4876 1 614 . 1 1 127 127 SER N N 15 111.11 0.25 . 1 . . . . . . . . . 4876 1 615 . 1 1 128 128 CYS H H 1 7.75 0.03 . 1 . . . . . . . . . 4876 1 616 . 1 1 128 128 CYS HA H 1 4.71 0.03 . 1 . . . . . . . . . 4876 1 617 . 1 1 128 128 CYS CA C 13 51.71 0.50 . 1 . . . . . . . . . 4876 1 618 . 1 1 128 128 CYS CB C 13 34.70 0.50 . 1 . . . . . . . . . 4876 1 619 . 1 1 128 128 CYS N N 15 117.31 0.25 . 1 . . . . . . . . . 4876 1 620 . 1 1 129 129 ASN H H 1 8.32 0.03 . 1 . . . . . . . . . 4876 1 621 . 1 1 129 129 ASN HA H 1 4.57 0.03 . 1 . . . . . . . . . 4876 1 622 . 1 1 129 129 ASN CA C 13 53.98 0.50 . 1 . . . . . . . . . 4876 1 623 . 1 1 129 129 ASN CB C 13 37.48 0.50 . 1 . . . . . . . . . 4876 1 624 . 1 1 129 129 ASN N N 15 118.96 0.25 . 1 . . . . . . . . . 4876 1 625 . 1 1 130 130 LEU H H 1 7.87 0.03 . 1 . . . . . . . . . 4876 1 626 . 1 1 130 130 LEU HA H 1 4.14 0.03 . 1 . . . . . . . . . 4876 1 627 . 1 1 130 130 LEU CA C 13 56.24 0.50 . 1 . . . . . . . . . 4876 1 628 . 1 1 130 130 LEU CB C 13 44.40 0.50 . 1 . . . . . . . . . 4876 1 629 . 1 1 130 130 LEU N N 15 126.03 0.25 . 1 . . . . . . . . . 4876 1 stop_ save_