data_6025 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6025 _Entry.Title ; 1H, 13C, 15N resonance assignments of the cytokine LECT2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-11-28 _Entry.Accession_date 2003-12-01 _Entry.Last_release_date . _Entry.Original_release_date . _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 Mie Ito . . . 6025 2 Koji Nagata . . . 6025 3 Satoshi Yamagoe . . . 6025 4 Kazuo Suzuki . . . 6025 5 Masaru Tanokura . . . 6025 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6025 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 334 6025 '15N chemical shifts' 115 6025 '1H chemical shifts' 215 6025 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 3 . . 2004-03-07 . original author 'Original release' 6025 2 . . 2004-03-23 . update author 'Chemical shift table update' 6025 1 . . 2004-03-29 . update author 'Chemical shift table update' 6025 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6025 _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: 1H, 13C, 15N resonance assignments of the cytokine LECT2' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _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 543 _Citation.Page_last 544 _Citation.Year 2004 _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 Mie Ito . . . 6025 1 2 Koji Nagata . . . 6025 1 3 Fumiaki Yumoto . . . 6025 1 4 Satoshi Yamagoe . . . 6025 1 5 Kazuo Suzuki . . . 6025 1 6 Kyoko Adachi . . . 6025 1 7 Masaru Tanokura . . . 6025 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID cytokine 6025 1 LECT2 6025 1 'resonance assignments' 6025 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_LECT2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_LECT2 _Assembly.Entry_ID 6025 _Assembly.ID 1 _Assembly.Name 'leukocyte cell-derived chemotaxin 2' _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 . _Assembly.Details 'not determined disulfide bounded formation' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6025 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 LECT2 1 $LECT2 . . . native . . . . . 6025 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 . PRF 240929A . 'leukocyte cell-derived chemotaxin 2' . . . 'Removed signal sequence (18 a.a.) and at N-terminal His-tag was added' 6025 1 . Swiss-Prot O14960 . 'leukocyte cell-derived chemotaxin 2' . . . ; Removed signal sequence (18 a.a.) and at N-terminal His-tag was added TrEMBL Q8K181 leukocyte cell-derived chemotaxin 2 ; 6025 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID LECT2 abbreviation 6025 1 'leukocyte cell-derived chemotaxin 2' system 6025 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'a chemotactic factor to human neutrophils' 6025 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LECT2 _Entity.Sf_category entity _Entity.Sf_framecode LECT2 _Entity.Entry_ID 6025 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'leukocyte cell-derived chemotaxin 2' _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 ; MHHHHHHGPWANICAGKSSN EIRTCDRHGCGQYSAQRSQR PHQGVDVLCSAGSTVYAPFT GMIVGQEKPYQNKNAINNGV RISGRGFCVKMFYIKPIKYK GPIKKGEKLGTLLPLQKVYP GIQSHVHIENCDSSDPTAYL ; _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 140 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 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 DBJ BAA23609 . "LECT2 precursor [Homo sapiens]" . . . . . 95.00 151 100.00 100.00 4.94e-94 . . . . 6025 1 2 no DBJ BAA25669 . "LECT2 [Homo sapiens]" . . . . . 95.00 151 100.00 100.00 4.94e-94 . . . . 6025 1 3 no DBJ BAG36787 . "unnamed protein product [Homo sapiens]" . . . . . 95.00 151 100.00 100.00 4.94e-94 . . . . 6025 1 4 no DBJ BAJ20851 . "leukocyte cell-derived chemotaxin 2 [synthetic construct]" . . . . . 95.00 151 100.00 100.00 4.94e-94 . . . . 6025 1 5 no GB AAB66905 . "similar to chicken myeloid protein-1 precursor; 60% similarity to P08940 (PID:g127095) [Homo sapiens]" . . . . . 95.00 151 99.25 100.00 7.82e-94 . . . . 6025 1 6 no GB AAC17734 . "LECT2 [Homo sapiens]" . . . . . 95.00 151 100.00 100.00 4.94e-94 . . . . 6025 1 7 no GB AAH93670 . "Leukocyte cell-derived chemotaxin 2 [Homo sapiens]" . . . . . 95.00 151 100.00 100.00 4.94e-94 . . . . 6025 1 8 no GB AAI01580 . "Leukocyte cell-derived chemotaxin 2 [Homo sapiens]" . . . . . 95.00 151 100.00 100.00 4.94e-94 . . . . 6025 1 9 no GB AIC54696 . "LECT2, partial [synthetic construct]" . . . . . 95.00 151 100.00 100.00 4.94e-94 . . . . 6025 1 10 no REF NP_001181813 . "leukocyte cell-derived chemotaxin-2 precursor [Macaca mulatta]" . . . . . 95.00 151 97.74 99.25 1.28e-92 . . . . 6025 1 11 no REF NP_002293 . "leukocyte cell-derived chemotaxin-2 precursor [Homo sapiens]" . . . . . 95.00 151 99.25 100.00 7.82e-94 . . . . 6025 1 12 no REF XP_002744226 . "PREDICTED: leukocyte cell-derived chemotaxin-2 [Callithrix jacchus]" . . . . . 95.00 151 96.99 98.50 3.21e-91 . . . . 6025 1 13 no REF XP_002815956 . "PREDICTED: leukocyte cell-derived chemotaxin-2 [Pongo abelii]" . . . . . 95.00 151 100.00 100.00 4.94e-94 . . . . 6025 1 14 no REF XP_003266460 . "PREDICTED: leukocyte cell-derived chemotaxin-2 [Nomascus leucogenys]" . . . . . 95.00 151 98.50 99.25 6.22e-93 . . . . 6025 1 15 no SP O14960 . "RecName: Full=Leukocyte cell-derived chemotaxin-2; Short=LECT-2; Short=hLECT2; Flags: Precursor [Homo sapiens]" . . . . . 95.00 151 99.25 100.00 7.82e-94 . . . . 6025 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID LECT2 abbreviation 6025 1 'leukocyte cell-derived chemotaxin 2' common 6025 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 -8 MET . 6025 1 2 -7 HIS . 6025 1 3 -6 HIS . 6025 1 4 -5 HIS . 6025 1 5 -4 HIS . 6025 1 6 -3 HIS . 6025 1 7 -2 HIS . 6025 1 8 19 GLY . 6025 1 9 20 PRO . 6025 1 10 21 TRP . 6025 1 11 22 ALA . 6025 1 12 23 ASN . 6025 1 13 24 ILE . 6025 1 14 25 CYS . 6025 1 15 26 ALA . 6025 1 16 27 GLY . 6025 1 17 28 LYS . 6025 1 18 29 SER . 6025 1 19 30 SER . 6025 1 20 31 ASN . 6025 1 21 32 GLU . 6025 1 22 33 ILE . 6025 1 23 34 ARG . 6025 1 24 35 THR . 6025 1 25 36 CYS . 6025 1 26 37 ASP . 6025 1 27 38 ARG . 6025 1 28 39 HIS . 6025 1 29 40 GLY . 6025 1 30 41 CYS . 6025 1 31 42 GLY . 6025 1 32 43 GLN . 6025 1 33 44 TYR . 6025 1 34 45 SER . 6025 1 35 46 ALA . 6025 1 36 47 GLN . 6025 1 37 48 ARG . 6025 1 38 49 SER . 6025 1 39 50 GLN . 6025 1 40 51 ARG . 6025 1 41 52 PRO . 6025 1 42 53 HIS . 6025 1 43 54 GLN . 6025 1 44 55 GLY . 6025 1 45 56 VAL . 6025 1 46 57 ASP . 6025 1 47 58 VAL . 6025 1 48 59 LEU . 6025 1 49 60 CYS . 6025 1 50 61 SER . 6025 1 51 62 ALA . 6025 1 52 63 GLY . 6025 1 53 64 SER . 6025 1 54 65 THR . 6025 1 55 66 VAL . 6025 1 56 67 TYR . 6025 1 57 68 ALA . 6025 1 58 69 PRO . 6025 1 59 70 PHE . 6025 1 60 71 THR . 6025 1 61 72 GLY . 6025 1 62 73 MET . 6025 1 63 74 ILE . 6025 1 64 75 VAL . 6025 1 65 76 GLY . 6025 1 66 77 GLN . 6025 1 67 78 GLU . 6025 1 68 79 LYS . 6025 1 69 80 PRO . 6025 1 70 81 TYR . 6025 1 71 82 GLN . 6025 1 72 83 ASN . 6025 1 73 84 LYS . 6025 1 74 85 ASN . 6025 1 75 86 ALA . 6025 1 76 87 ILE . 6025 1 77 88 ASN . 6025 1 78 89 ASN . 6025 1 79 90 GLY . 6025 1 80 91 VAL . 6025 1 81 92 ARG . 6025 1 82 93 ILE . 6025 1 83 94 SER . 6025 1 84 95 GLY . 6025 1 85 96 ARG . 6025 1 86 97 GLY . 6025 1 87 98 PHE . 6025 1 88 99 CYS . 6025 1 89 100 VAL . 6025 1 90 101 LYS . 6025 1 91 102 MET . 6025 1 92 103 PHE . 6025 1 93 104 TYR . 6025 1 94 105 ILE . 6025 1 95 106 LYS . 6025 1 96 107 PRO . 6025 1 97 108 ILE . 6025 1 98 109 LYS . 6025 1 99 110 TYR . 6025 1 100 111 LYS . 6025 1 101 112 GLY . 6025 1 102 113 PRO . 6025 1 103 114 ILE . 6025 1 104 115 LYS . 6025 1 105 116 LYS . 6025 1 106 117 GLY . 6025 1 107 118 GLU . 6025 1 108 119 LYS . 6025 1 109 120 LEU . 6025 1 110 121 GLY . 6025 1 111 122 THR . 6025 1 112 123 LEU . 6025 1 113 124 LEU . 6025 1 114 125 PRO . 6025 1 115 126 LEU . 6025 1 116 127 GLN . 6025 1 117 128 LYS . 6025 1 118 129 VAL . 6025 1 119 130 TYR . 6025 1 120 131 PRO . 6025 1 121 132 GLY . 6025 1 122 133 ILE . 6025 1 123 134 GLN . 6025 1 124 135 SER . 6025 1 125 136 HIS . 6025 1 126 137 VAL . 6025 1 127 138 HIS . 6025 1 128 139 ILE . 6025 1 129 140 GLU . 6025 1 130 141 ASN . 6025 1 131 142 CYS . 6025 1 132 143 ASP . 6025 1 133 144 SER . 6025 1 134 145 SER . 6025 1 135 146 ASP . 6025 1 136 147 PRO . 6025 1 137 148 THR . 6025 1 138 149 ALA . 6025 1 139 150 TYR . 6025 1 140 151 LEU . 6025 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6025 1 . HIS 2 2 6025 1 . HIS 3 3 6025 1 . HIS 4 4 6025 1 . HIS 5 5 6025 1 . HIS 6 6 6025 1 . HIS 7 7 6025 1 . GLY 8 8 6025 1 . PRO 9 9 6025 1 . TRP 10 10 6025 1 . ALA 11 11 6025 1 . ASN 12 12 6025 1 . ILE 13 13 6025 1 . CYS 14 14 6025 1 . ALA 15 15 6025 1 . GLY 16 16 6025 1 . LYS 17 17 6025 1 . SER 18 18 6025 1 . SER 19 19 6025 1 . ASN 20 20 6025 1 . GLU 21 21 6025 1 . ILE 22 22 6025 1 . ARG 23 23 6025 1 . THR 24 24 6025 1 . CYS 25 25 6025 1 . ASP 26 26 6025 1 . ARG 27 27 6025 1 . HIS 28 28 6025 1 . GLY 29 29 6025 1 . CYS 30 30 6025 1 . GLY 31 31 6025 1 . GLN 32 32 6025 1 . TYR 33 33 6025 1 . SER 34 34 6025 1 . ALA 35 35 6025 1 . GLN 36 36 6025 1 . ARG 37 37 6025 1 . SER 38 38 6025 1 . GLN 39 39 6025 1 . ARG 40 40 6025 1 . PRO 41 41 6025 1 . HIS 42 42 6025 1 . GLN 43 43 6025 1 . GLY 44 44 6025 1 . VAL 45 45 6025 1 . ASP 46 46 6025 1 . VAL 47 47 6025 1 . LEU 48 48 6025 1 . CYS 49 49 6025 1 . SER 50 50 6025 1 . ALA 51 51 6025 1 . GLY 52 52 6025 1 . SER 53 53 6025 1 . THR 54 54 6025 1 . VAL 55 55 6025 1 . TYR 56 56 6025 1 . ALA 57 57 6025 1 . PRO 58 58 6025 1 . PHE 59 59 6025 1 . THR 60 60 6025 1 . GLY 61 61 6025 1 . MET 62 62 6025 1 . ILE 63 63 6025 1 . VAL 64 64 6025 1 . GLY 65 65 6025 1 . GLN 66 66 6025 1 . GLU 67 67 6025 1 . LYS 68 68 6025 1 . PRO 69 69 6025 1 . TYR 70 70 6025 1 . GLN 71 71 6025 1 . ASN 72 72 6025 1 . LYS 73 73 6025 1 . ASN 74 74 6025 1 . ALA 75 75 6025 1 . ILE 76 76 6025 1 . ASN 77 77 6025 1 . ASN 78 78 6025 1 . GLY 79 79 6025 1 . VAL 80 80 6025 1 . ARG 81 81 6025 1 . ILE 82 82 6025 1 . SER 83 83 6025 1 . GLY 84 84 6025 1 . ARG 85 85 6025 1 . GLY 86 86 6025 1 . PHE 87 87 6025 1 . CYS 88 88 6025 1 . VAL 89 89 6025 1 . LYS 90 90 6025 1 . MET 91 91 6025 1 . PHE 92 92 6025 1 . TYR 93 93 6025 1 . ILE 94 94 6025 1 . LYS 95 95 6025 1 . PRO 96 96 6025 1 . ILE 97 97 6025 1 . LYS 98 98 6025 1 . TYR 99 99 6025 1 . LYS 100 100 6025 1 . GLY 101 101 6025 1 . PRO 102 102 6025 1 . ILE 103 103 6025 1 . LYS 104 104 6025 1 . LYS 105 105 6025 1 . GLY 106 106 6025 1 . GLU 107 107 6025 1 . LYS 108 108 6025 1 . LEU 109 109 6025 1 . GLY 110 110 6025 1 . THR 111 111 6025 1 . LEU 112 112 6025 1 . LEU 113 113 6025 1 . PRO 114 114 6025 1 . LEU 115 115 6025 1 . GLN 116 116 6025 1 . LYS 117 117 6025 1 . VAL 118 118 6025 1 . TYR 119 119 6025 1 . PRO 120 120 6025 1 . GLY 121 121 6025 1 . ILE 122 122 6025 1 . GLN 123 123 6025 1 . SER 124 124 6025 1 . HIS 125 125 6025 1 . VAL 126 126 6025 1 . HIS 127 127 6025 1 . ILE 128 128 6025 1 . GLU 129 129 6025 1 . ASN 130 130 6025 1 . CYS 131 131 6025 1 . ASP 132 132 6025 1 . SER 133 133 6025 1 . SER 134 134 6025 1 . ASP 135 135 6025 1 . PRO 136 136 6025 1 . THR 137 137 6025 1 . ALA 138 138 6025 1 . TYR 139 139 6025 1 . LEU 140 140 6025 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6025 _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 $LECT2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6025 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 6025 _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 $LECT2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET-21a . . . . . . 6025 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6025 _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 'leukocyte cell-derived chemotaxin 2' [U-15N] . . 1 $LECT2 . . 1.2 . . mM . . . . 6025 1 2 glycerol . . . . . . . 5 . . % . . . . 6025 1 3 Na2SO4 . . . . . . . 50 . . mM . . . . 6025 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6025 _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 'leukocyte cell-derived chemotaxin 2' '[U-13C; U-15N]' . . 1 $LECT2 . . 0.8 . . mM . . . . 6025 2 2 glycerol . . . . . . . 5 . . % . . . . 6025 2 3 Na2SO4 . . . . . . . 50 . . mM . . . . 6025 2 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 6025 _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 6.0 0.1 n/a 6025 1 temperature 298 0.1 K 6025 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 6025 _Software.ID 1 _Software.Name NMRPipe _Software.Version 1.7 _Software.Details . save_ save_P-ROI _Software.Sf_category software _Software.Sf_framecode P-ROI _Software.Entry_ID 6025 _Software.ID 2 _Software.Name P-ROI _Software.Version 1.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectral analysis on Papers' 6025 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 6025 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.76 _Software.Details . save_ save_CSI _Software.Sf_category software _Software.Sf_framecode CSI _Software.Entry_ID 6025 _Software.ID 4 _Software.Name CSI _Software.Version 1 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'prediction secondary structure' 6025 4 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 6025 _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_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6025 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6025 _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 Varian INOVA . 500 . . . 6025 1 2 NMR_spectrometer_2 Varian INOVA . 750 . . . 6025 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 6025 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6025 1 2 '1H-1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6025 1 3 '1H-1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6025 1 4 '1H-13C-1H DE-H(C)CH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6025 1 5 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6025 1 6 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6025 1 7 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6025 1 8 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6025 1 9 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6025 1 10 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6025 1 11 (HCA)CO(CA)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6025 1 12 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6025 1 13 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6025 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6025 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6025 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6025 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6025 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-13C-1H DE-H(C)CH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6025 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6025 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6025 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6025 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6025 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6025 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6025 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name (HCA)CO(CA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6025 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 6025 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 6025 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl proton' . . . . ppm 0.0 internal indirect 0.251449530 . . . . . . . . . 6025 1 H 1 DSS 'methyl proton' . . . . ppm 0.0 internal direct 1 . . . . . . . . . 6025 1 N 15 DSS 'methyl proton' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 6025 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6025 _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 . . 2 $sample_2 . 6025 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 9 9 PRO HA H 1 4.184 0 . 1 . . . . . . . . 6025 1 2 . 1 1 9 9 PRO C C 13 174.148 0 . 1 . . . . . . . . 6025 1 3 . 1 1 9 9 PRO CA C 13 63.868 0.02 . 1 . . . . . . . . 6025 1 4 . 1 1 9 9 PRO CB C 13 31.12 0 . 1 . . . . . . . . 6025 1 5 . 1 1 10 10 TRP H H 1 6.364 0.012 . 1 . . . . . . . . 6025 1 6 . 1 1 10 10 TRP C C 13 176.637 0 . 1 . . . . . . . . 6025 1 7 . 1 1 10 10 TRP CA C 13 54.757 0.096 . 1 . . . . . . . . 6025 1 8 . 1 1 10 10 TRP CB C 13 30.627 0.059 . 1 . . . . . . . . 6025 1 9 . 1 1 10 10 TRP N N 15 108.737 0.082 . 1 . . . . . . . . 6025 1 10 . 1 1 11 11 ALA H H 1 9.019 0.01 . 1 . . . . . . . . 6025 1 11 . 1 1 11 11 ALA HA H 1 3.867 0 . 1 . . . . . . . . 6025 1 12 . 1 1 11 11 ALA C C 13 176.738 0 . 1 . . . . . . . . 6025 1 13 . 1 1 11 11 ALA CA C 13 51.54 0.048 . 1 . . . . . . . . 6025 1 14 . 1 1 11 11 ALA CB C 13 19.585 0.087 . 1 . . . . . . . . 6025 1 15 . 1 1 11 11 ALA N N 15 121.703 0.056 . 1 . . . . . . . . 6025 1 16 . 1 1 12 12 ASN H H 1 7.981 0.006 . 1 . . . . . . . . 6025 1 17 . 1 1 12 12 ASN HA H 1 4.694 0 . 1 . . . . . . . . 6025 1 18 . 1 1 12 12 ASN C C 13 177.635 0 . 1 . . . . . . . . 6025 1 19 . 1 1 12 12 ASN CA C 13 54.301 0.056 . 1 . . . . . . . . 6025 1 20 . 1 1 12 12 ASN CB C 13 38.486 0 . 1 . . . . . . . . 6025 1 21 . 1 1 12 12 ASN N N 15 115.876 0.08 . 1 . . . . . . . . 6025 1 22 . 1 1 13 13 ILE H H 1 8.051 0.004 . 1 . . . . . . . . 6025 1 23 . 1 1 13 13 ILE HA H 1 4.214 0.049 . 1 . . . . . . . . 6025 1 24 . 1 1 13 13 ILE C C 13 175.812 0 . 1 . . . . . . . . 6025 1 25 . 1 1 13 13 ILE CA C 13 61.534 0.093 . 1 . . . . . . . . 6025 1 26 . 1 1 13 13 ILE CB C 13 39.209 0 . 1 . . . . . . . . 6025 1 27 . 1 1 13 13 ILE N N 15 119.516 0.042 . 1 . . . . . . . . 6025 1 28 . 1 1 14 14 CYS H H 1 8.401 0.004 . 1 . . . . . . . . 6025 1 29 . 1 1 14 14 CYS HA H 1 4.692 0 . 1 . . . . . . . . 6025 1 30 . 1 1 14 14 CYS C C 13 174.298 0 . 1 . . . . . . . . 6025 1 31 . 1 1 14 14 CYS CA C 13 55.535 0.093 . 1 . . . . . . . . 6025 1 32 . 1 1 14 14 CYS CB C 13 39.605 0 . 1 . . . . . . . . 6025 1 33 . 1 1 14 14 CYS N N 15 122.536 0.084 . 1 . . . . . . . . 6025 1 34 . 1 1 15 15 ALA H H 1 8.233 0.008 . 1 . . . . . . . . 6025 1 35 . 1 1 15 15 ALA HA H 1 3.812 0 . 1 . . . . . . . . 6025 1 36 . 1 1 15 15 ALA C C 13 177.548 0 . 1 . . . . . . . . 6025 1 37 . 1 1 15 15 ALA CA C 13 54.599 0.058 . 1 . . . . . . . . 6025 1 38 . 1 1 15 15 ALA CB C 13 19.615 0.055 . 1 . . . . . . . . 6025 1 39 . 1 1 15 15 ALA N N 15 130.658 0.095 . 1 . . . . . . . . 6025 1 40 . 1 1 16 16 GLY H H 1 8.667 0.005 . 1 . . . . . . . . 6025 1 41 . 1 1 16 16 GLY HA2 H 1 4.334 0 . 1 . . . . . . . . 6025 1 42 . 1 1 16 16 GLY HA3 H 1 3.866 0 . 1 . . . . . . . . 6025 1 43 . 1 1 16 16 GLY C C 13 174.403 0 . 1 . . . . . . . . 6025 1 44 . 1 1 16 16 GLY CA C 13 45.597 0.066 . 1 . . . . . . . . 6025 1 45 . 1 1 16 16 GLY N N 15 109.515 0.073 . 1 . . . . . . . . 6025 1 46 . 1 1 17 17 LYS H H 1 7.607 0.003 . 1 . . . . . . . . 6025 1 47 . 1 1 17 17 LYS C C 13 176.916 0 . 1 . . . . . . . . 6025 1 48 . 1 1 17 17 LYS CA C 13 53.981 0.055 . 1 . . . . . . . . 6025 1 49 . 1 1 17 17 LYS CB C 13 34.099 0.056 . 1 . . . . . . . . 6025 1 50 . 1 1 17 17 LYS N N 15 118.926 0.077 . 1 . . . . . . . . 6025 1 51 . 1 1 18 18 SER H H 1 8.934 0.007 . 1 . . . . . . . . 6025 1 52 . 1 1 18 18 SER C C 13 176.916 0 . 1 . . . . . . . . 6025 1 53 . 1 1 18 18 SER CA C 13 58.802 0.013 . 1 . . . . . . . . 6025 1 54 . 1 1 18 18 SER CB C 13 64.161 0 . 1 . . . . . . . . 6025 1 55 . 1 1 18 18 SER N N 15 115.741 0.043 . 1 . . . . . . . . 6025 1 56 . 1 1 19 19 SER H H 1 8.935 0 . 1 . . . . . . . . 6025 1 57 . 1 1 19 19 SER HA H 1 4.511 0 . 1 . . . . . . . . 6025 1 58 . 1 1 19 19 SER C C 13 174.459 0 . 1 . . . . . . . . 6025 1 59 . 1 1 19 19 SER CA C 13 58.922 0.039 . 1 . . . . . . . . 6025 1 60 . 1 1 19 19 SER CB C 13 64.009 0.049 . 1 . . . . . . . . 6025 1 61 . 1 1 19 19 SER N N 15 115.741 0 . 1 . . . . . . . . 6025 1 62 . 1 1 20 20 ASN H H 1 8.435 0.006 . 1 . . . . . . . . 6025 1 63 . 1 1 20 20 ASN HA H 1 4.765 0 . 1 . . . . . . . . 6025 1 64 . 1 1 20 20 ASN C C 13 175.09 0 . 1 . . . . . . . . 6025 1 65 . 1 1 20 20 ASN CA C 13 53.799 0.062 . 1 . . . . . . . . 6025 1 66 . 1 1 20 20 ASN CB C 13 39.123 0.088 . 1 . . . . . . . . 6025 1 67 . 1 1 20 20 ASN N N 15 120.339 0.096 . 1 . . . . . . . . 6025 1 68 . 1 1 21 21 GLU H H 1 8.223 0.005 . 1 . . . . . . . . 6025 1 69 . 1 1 21 21 GLU CA C 13 56.756 0.056 . 1 . . . . . . . . 6025 1 70 . 1 1 21 21 GLU CB C 13 30.949 0.043 . 1 . . . . . . . . 6025 1 71 . 1 1 21 21 GLU N N 15 120.829 0.078 . 1 . . . . . . . . 6025 1 72 . 1 1 22 22 ILE H H 1 8.435 0.003 . 1 . . . . . . . . 6025 1 73 . 1 1 22 22 ILE HA H 1 4.451 0 . 1 . . . . . . . . 6025 1 74 . 1 1 22 22 ILE C C 13 176.405 0 . 1 . . . . . . . . 6025 1 75 . 1 1 22 22 ILE CA C 13 56.499 0.011 . 1 . . . . . . . . 6025 1 76 . 1 1 22 22 ILE CB C 13 33.168 0 . 1 . . . . . . . . 6025 1 77 . 1 1 22 22 ILE N N 15 122.509 0.051 . 1 . . . . . . . . 6025 1 78 . 1 1 23 23 ARG H H 1 8.413 0.01 . 1 . . . . . . . . 6025 1 79 . 1 1 23 23 ARG CA C 13 56.684 0.07 . 1 . . . . . . . . 6025 1 80 . 1 1 23 23 ARG CB C 13 31.213 0.06 . 1 . . . . . . . . 6025 1 81 . 1 1 23 23 ARG N N 15 117.055 0.004 . 1 . . . . . . . . 6025 1 82 . 1 1 24 24 THR H H 1 8.272 0.008 . 1 . . . . . . . . 6025 1 83 . 1 1 24 24 THR HA H 1 4.366 0 . 1 . . . . . . . . 6025 1 84 . 1 1 24 24 THR CA C 13 62.178 0.074 . 1 . . . . . . . . 6025 1 85 . 1 1 24 24 THR CB C 13 70.222 0.084 . 1 . . . . . . . . 6025 1 86 . 1 1 24 24 THR N N 15 116.03 0.095 . 1 . . . . . . . . 6025 1 87 . 1 1 25 25 CYS H H 1 8.394 0.015 . 1 . . . . . . . . 6025 1 88 . 1 1 25 25 CYS HA H 1 4.861 0 . 1 . . . . . . . . 6025 1 89 . 1 1 25 25 CYS C C 13 173.824 0 . 1 . . . . . . . . 6025 1 90 . 1 1 25 25 CYS CA C 13 55.865 0.051 . 1 . . . . . . . . 6025 1 91 . 1 1 25 25 CYS CB C 13 38.757 0 . 1 . . . . . . . . 6025 1 92 . 1 1 25 25 CYS N N 15 125.872 0.069 . 1 . . . . . . . . 6025 1 93 . 1 1 26 26 ASP H H 1 8.004 0.004 . 1 . . . . . . . . 6025 1 94 . 1 1 26 26 ASP N N 15 124.771 0.072 . 1 . . . . . . . . 6025 1 95 . 1 1 27 27 ARG C C 13 175.443 0 . 1 . . . . . . . . 6025 1 96 . 1 1 27 27 ARG CA C 13 56.268 0.071 . 1 . . . . . . . . 6025 1 97 . 1 1 27 27 ARG CB C 13 29.982 0.038 . 1 . . . . . . . . 6025 1 98 . 1 1 28 28 HIS H H 1 8.284 0.07 . 1 . . . . . . . . 6025 1 99 . 1 1 28 28 HIS HA H 1 4.366 0.047 . 1 . . . . . . . . 6025 1 100 . 1 1 28 28 HIS C C 13 176.127 0 . 1 . . . . . . . . 6025 1 101 . 1 1 28 28 HIS CA C 13 56.83 0.064 . 1 . . . . . . . . 6025 1 102 . 1 1 28 28 HIS CB C 13 33.442 0.072 . 1 . . . . . . . . 6025 1 103 . 1 1 28 28 HIS N N 15 122.606 0.083 . 1 . . . . . . . . 6025 1 104 . 1 1 29 29 GLY H H 1 8.517 0.006 . 1 . . . . . . . . 6025 1 105 . 1 1 29 29 GLY HA2 H 1 4.292 0.039 . 1 . . . . . . . . 6025 1 106 . 1 1 29 29 GLY HA3 H 1 3.925 0.041 . 1 . . . . . . . . 6025 1 107 . 1 1 29 29 GLY C C 13 173.964 0 . 1 . . . . . . . . 6025 1 108 . 1 1 29 29 GLY CA C 13 45.518 0.061 . 1 . . . . . . . . 6025 1 109 . 1 1 29 29 GLY N N 15 110.735 0.07 . 1 . . . . . . . . 6025 1 110 . 1 1 30 30 CYS H H 1 8.525 0.003 . 1 . . . . . . . . 6025 1 111 . 1 1 30 30 CYS C C 13 175.183 0 . 1 . . . . . . . . 6025 1 112 . 1 1 30 30 CYS CA C 13 56.157 0.064 . 1 . . . . . . . . 6025 1 113 . 1 1 30 30 CYS CB C 13 44.264 0.064 . 1 . . . . . . . . 6025 1 114 . 1 1 30 30 CYS N N 15 118.194 0.085 . 1 . . . . . . . . 6025 1 115 . 1 1 31 31 GLY H H 1 8.599 0.005 . 1 . . . . . . . . 6025 1 116 . 1 1 31 31 GLY HA2 H 1 4.34 0 . 1 . . . . . . . . 6025 1 117 . 1 1 31 31 GLY HA3 H 1 3.992 0 . 1 . . . . . . . . 6025 1 118 . 1 1 31 31 GLY C C 13 175.078 0 . 1 . . . . . . . . 6025 1 119 . 1 1 31 31 GLY CA C 13 45.992 0.04 . 1 . . . . . . . . 6025 1 120 . 1 1 31 31 GLY N N 15 110.322 0.085 . 1 . . . . . . . . 6025 1 121 . 1 1 32 32 GLN H H 1 8.356 0.012 . 1 . . . . . . . . 6025 1 122 . 1 1 32 32 GLN HA H 1 4.161 0 . 1 . . . . . . . . 6025 1 123 . 1 1 32 32 GLN C C 13 175.598 0 . 1 . . . . . . . . 6025 1 124 . 1 1 32 32 GLN CA C 13 56.32 0.071 . 1 . . . . . . . . 6025 1 125 . 1 1 32 32 GLN CB C 13 29.787 0.06 . 1 . . . . . . . . 6025 1 126 . 1 1 32 32 GLN N N 15 120.456 0.012 . 1 . . . . . . . . 6025 1 127 . 1 1 33 33 TYR H H 1 8.62 0.006 . 1 . . . . . . . . 6025 1 128 . 1 1 33 33 TYR HA H 1 4.613 0.074 . 1 . . . . . . . . 6025 1 129 . 1 1 33 33 TYR C C 13 176.177 0 . 1 . . . . . . . . 6025 1 130 . 1 1 33 33 TYR CA C 13 54.57 0.064 . 1 . . . . . . . . 6025 1 131 . 1 1 33 33 TYR CB C 13 41.633 0.03 . 1 . . . . . . . . 6025 1 132 . 1 1 33 33 TYR N N 15 123.447 0.063 . 1 . . . . . . . . 6025 1 133 . 1 1 34 34 SER H H 1 8.27 0.006 . 1 . . . . . . . . 6025 1 134 . 1 1 34 34 SER HA H 1 4.519 0 . 1 . . . . . . . . 6025 1 135 . 1 1 34 34 SER C C 13 174.332 0 . 1 . . . . . . . . 6025 1 136 . 1 1 34 34 SER CA C 13 58.65 0.072 . 1 . . . . . . . . 6025 1 137 . 1 1 34 34 SER CB C 13 64.118 0.052 . 1 . . . . . . . . 6025 1 138 . 1 1 34 34 SER N N 15 116.623 0.073 . 1 . . . . . . . . 6025 1 139 . 1 1 35 35 ALA H H 1 8.387 0.008 . 1 . . . . . . . . 6025 1 140 . 1 1 35 35 ALA HA H 1 4.261 0 . 1 . . . . . . . . 6025 1 141 . 1 1 35 35 ALA C C 13 177.906 0 . 1 . . . . . . . . 6025 1 142 . 1 1 35 35 ALA CA C 13 53.156 0.029 . 1 . . . . . . . . 6025 1 143 . 1 1 35 35 ALA CB C 13 19.455 0.071 . 1 . . . . . . . . 6025 1 144 . 1 1 35 35 ALA N N 15 126.369 0.093 . 1 . . . . . . . . 6025 1 145 . 1 1 36 36 GLN H H 1 8.211 0.013 . 1 . . . . . . . . 6025 1 146 . 1 1 36 36 GLN HA H 1 4.343 0 . 1 . . . . . . . . 6025 1 147 . 1 1 36 36 GLN C C 13 175.839 0 . 1 . . . . . . . . 6025 1 148 . 1 1 36 36 GLN CA C 13 56.507 0.069 . 1 . . . . . . . . 6025 1 149 . 1 1 36 36 GLN CB C 13 29.565 0.038 . 1 . . . . . . . . 6025 1 150 . 1 1 36 36 GLN N N 15 118.658 0.083 . 1 . . . . . . . . 6025 1 151 . 1 1 37 37 ARG H H 1 8.229 0.007 . 1 . . . . . . . . 6025 1 152 . 1 1 37 37 ARG HA H 1 4.088 0 . 1 . . . . . . . . 6025 1 153 . 1 1 37 37 ARG C C 13 176.532 0 . 1 . . . . . . . . 6025 1 154 . 1 1 37 37 ARG CA C 13 56.891 0.016 . 1 . . . . . . . . 6025 1 155 . 1 1 37 37 ARG CB C 13 30.987 0.019 . 1 . . . . . . . . 6025 1 156 . 1 1 37 37 ARG N N 15 121.149 0.072 . 1 . . . . . . . . 6025 1 157 . 1 1 38 38 SER H H 1 8.222 0.006 . 1 . . . . . . . . 6025 1 158 . 1 1 38 38 SER HA H 1 4.49 0 . 1 . . . . . . . . 6025 1 159 . 1 1 38 38 SER C C 13 174.479 0 . 1 . . . . . . . . 6025 1 160 . 1 1 38 38 SER CA C 13 58.877 0.043 . 1 . . . . . . . . 6025 1 161 . 1 1 38 38 SER CB C 13 64.069 0.005 . 1 . . . . . . . . 6025 1 162 . 1 1 38 38 SER N N 15 115.91 0.09 . 1 . . . . . . . . 6025 1 163 . 1 1 39 39 GLN H H 1 8.347 0.005 . 1 . . . . . . . . 6025 1 164 . 1 1 39 39 GLN CA C 13 56.105 0.063 . 1 . . . . . . . . 6025 1 165 . 1 1 39 39 GLN CB C 13 29.918 0.051 . 1 . . . . . . . . 6025 1 166 . 1 1 39 39 GLN N N 15 121.884 0.062 . 1 . . . . . . . . 6025 1 167 . 1 1 40 40 ARG H H 1 8.468 0.003 . 1 . . . . . . . . 6025 1 168 . 1 1 40 40 ARG CA C 13 56.704 0.011 . 1 . . . . . . . . 6025 1 169 . 1 1 40 40 ARG CB C 13 31.079 0 . 1 . . . . . . . . 6025 1 170 . 1 1 40 40 ARG N N 15 122.903 0.095 . 1 . . . . . . . . 6025 1 171 . 1 1 41 41 PRO HA H 1 4.437 0.017 . 1 . . . . . . . . 6025 1 172 . 1 1 41 41 PRO C C 13 176.735 0 . 1 . . . . . . . . 6025 1 173 . 1 1 41 41 PRO CA C 13 63.425 0.048 . 1 . . . . . . . . 6025 1 174 . 1 1 41 41 PRO CB C 13 32.572 0.074 . 1 . . . . . . . . 6025 1 175 . 1 1 42 42 HIS H H 1 8.604 0.008 . 1 . . . . . . . . 6025 1 176 . 1 1 42 42 HIS C C 13 174.535 0 . 1 . . . . . . . . 6025 1 177 . 1 1 42 42 HIS CA C 13 55.868 0.058 . 1 . . . . . . . . 6025 1 178 . 1 1 42 42 HIS CB C 13 29.684 0.022 . 1 . . . . . . . . 6025 1 179 . 1 1 42 42 HIS N N 15 118.966 0.085 . 1 . . . . . . . . 6025 1 180 . 1 1 43 43 GLN H H 1 8.422 0.007 . 1 . . . . . . . . 6025 1 181 . 1 1 43 43 GLN C C 13 175.185 0 . 1 . . . . . . . . 6025 1 182 . 1 1 43 43 GLN CA C 13 56.211 0.032 . 1 . . . . . . . . 6025 1 183 . 1 1 43 43 GLN CB C 13 29.916 0.031 . 1 . . . . . . . . 6025 1 184 . 1 1 43 43 GLN N N 15 121.745 0.079 . 1 . . . . . . . . 6025 1 185 . 1 1 44 44 GLY H H 1 8.524 0.032 . 1 . . . . . . . . 6025 1 186 . 1 1 44 44 GLY C C 13 174.03 0 . 1 . . . . . . . . 6025 1 187 . 1 1 44 44 GLY CA C 13 45.553 0.043 . 1 . . . . . . . . 6025 1 188 . 1 1 44 44 GLY HA2 H 1 4.028 0.028 . 1 . . . . . . . . 6025 1 189 . 1 1 44 44 GLY HA3 H 1 4.028 0.028 . 1 . . . . . . . . 6025 1 190 . 1 1 44 44 GLY N N 15 110.558 0.081 . 1 . . . . . . . . 6025 1 191 . 1 1 45 45 VAL H H 1 8.199 0.004 . 1 . . . . . . . . 6025 1 192 . 1 1 45 45 VAL HA H 1 4.35 0 . 1 . . . . . . . . 6025 1 193 . 1 1 45 45 VAL C C 13 175.078 0 . 1 . . . . . . . . 6025 1 194 . 1 1 45 45 VAL CA C 13 55.876 0.044 . 1 . . . . . . . . 6025 1 195 . 1 1 45 45 VAL CB C 13 30.047 0.076 . 1 . . . . . . . . 6025 1 196 . 1 1 45 45 VAL N N 15 119.943 0.063 . 1 . . . . . . . . 6025 1 197 . 1 1 46 46 ASP H H 1 8.367 0.006 . 1 . . . . . . . . 6025 1 198 . 1 1 46 46 ASP CA C 13 53.537 0.062 . 1 . . . . . . . . 6025 1 199 . 1 1 46 46 ASP CB C 13 39.265 0.045 . 1 . . . . . . . . 6025 1 200 . 1 1 46 46 ASP N N 15 120.419 0.048 . 1 . . . . . . . . 6025 1 201 . 1 1 47 47 VAL H H 1 8.474 0.006 . 1 . . . . . . . . 6025 1 202 . 1 1 47 47 VAL HA H 1 4.49 0.061 . 1 . . . . . . . . 6025 1 203 . 1 1 47 47 VAL C C 13 177.085 0 . 1 . . . . . . . . 6025 1 204 . 1 1 47 47 VAL CA C 13 55.617 0.014 . 1 . . . . . . . . 6025 1 205 . 1 1 47 47 VAL CB C 13 32.633 0 . 1 . . . . . . . . 6025 1 206 . 1 1 47 47 VAL N N 15 119.438 0.046 . 1 . . . . . . . . 6025 1 207 . 1 1 48 48 LEU H H 1 8.263 0.008 . 1 . . . . . . . . 6025 1 208 . 1 1 48 48 LEU HA H 1 4.332 0 . 1 . . . . . . . . 6025 1 209 . 1 1 48 48 LEU C C 13 177.466 0 . 1 . . . . . . . . 6025 1 210 . 1 1 48 48 LEU CA C 13 56.883 0.039 . 1 . . . . . . . . 6025 1 211 . 1 1 48 48 LEU N N 15 121.68 0.086 . 1 . . . . . . . . 6025 1 212 . 1 1 49 49 CYS H H 1 8.279 0.004 . 1 . . . . . . . . 6025 1 213 . 1 1 49 49 CYS HA H 1 4.437 0 . 1 . . . . . . . . 6025 1 214 . 1 1 49 49 CYS C C 13 175.837 0 . 1 . . . . . . . . 6025 1 215 . 1 1 49 49 CYS CA C 13 56.027 0.059 . 1 . . . . . . . . 6025 1 216 . 1 1 49 49 CYS CB C 13 29.876 0.024 . 1 . . . . . . . . 6025 1 217 . 1 1 49 49 CYS N N 15 121.03 0.058 . 1 . . . . . . . . 6025 1 218 . 1 1 50 50 SER H H 1 8.273 0.003 . 1 . . . . . . . . 6025 1 219 . 1 1 50 50 SER HA H 1 4.433 0 . 1 . . . . . . . . 6025 1 220 . 1 1 50 50 SER C C 13 174.446 0 . 1 . . . . . . . . 6025 1 221 . 1 1 50 50 SER CA C 13 58.656 0.057 . 1 . . . . . . . . 6025 1 222 . 1 1 50 50 SER CB C 13 64.114 0.025 . 1 . . . . . . . . 6025 1 223 . 1 1 50 50 SER N N 15 116.994 0.074 . 1 . . . . . . . . 6025 1 224 . 1 1 51 51 ALA H H 1 8.318 0.005 . 1 . . . . . . . . 6025 1 225 . 1 1 51 51 ALA C C 13 178.153 0 . 1 . . . . . . . . 6025 1 226 . 1 1 51 51 ALA CA C 13 53.177 0.061 . 1 . . . . . . . . 6025 1 227 . 1 1 51 51 ALA CB C 13 19.596 0.043 . 1 . . . . . . . . 6025 1 228 . 1 1 51 51 ALA N N 15 125.996 0.074 . 1 . . . . . . . . 6025 1 229 . 1 1 52 52 GLY H H 1 8.349 0.005 . 1 . . . . . . . . 6025 1 230 . 1 1 52 52 GLY HA2 H 1 4.07 0 . 1 . . . . . . . . 6025 1 231 . 1 1 52 52 GLY HA3 H 1 4.07 0 . 1 . . . . . . . . 6025 1 232 . 1 1 52 52 GLY C C 13 174.246 0 . 1 . . . . . . . . 6025 1 233 . 1 1 52 52 GLY CA C 13 45.6 0.077 . 1 . . . . . . . . 6025 1 234 . 1 1 52 52 GLY N N 15 108.114 0.084 . 1 . . . . . . . . 6025 1 235 . 1 1 53 53 SER H H 1 8.164 0.005 . 1 . . . . . . . . 6025 1 236 . 1 1 53 53 SER HA H 1 4.604 0 . 1 . . . . . . . . 6025 1 237 . 1 1 53 53 SER C C 13 174.668 0 . 1 . . . . . . . . 6025 1 238 . 1 1 53 53 SER CA C 13 58.597 0.043 . 1 . . . . . . . . 6025 1 239 . 1 1 53 53 SER CB C 13 64.305 0.064 . 1 . . . . . . . . 6025 1 240 . 1 1 53 53 SER N N 15 115.575 0.092 . 1 . . . . . . . . 6025 1 241 . 1 1 54 54 THR H H 1 8.195 0.007 . 1 . . . . . . . . 6025 1 242 . 1 1 54 54 THR HA H 1 4.419 0 . 1 . . . . . . . . 6025 1 243 . 1 1 54 54 THR C C 13 174.201 0 . 1 . . . . . . . . 6025 1 244 . 1 1 54 54 THR CA C 13 62.366 0.055 . 1 . . . . . . . . 6025 1 245 . 1 1 54 54 THR CB C 13 70.005 0.087 . 1 . . . . . . . . 6025 1 246 . 1 1 54 54 THR N N 15 116.606 0.086 . 1 . . . . . . . . 6025 1 247 . 1 1 55 55 VAL H H 1 8.055 0.006 . 1 . . . . . . . . 6025 1 248 . 1 1 55 55 VAL HA H 1 4.167 0 . 1 . . . . . . . . 6025 1 249 . 1 1 55 55 VAL C C 13 175.457 0 . 1 . . . . . . . . 6025 1 250 . 1 1 55 55 VAL CA C 13 62.56 0.057 . 1 . . . . . . . . 6025 1 251 . 1 1 55 55 VAL CB C 13 33.205 0.075 . 1 . . . . . . . . 6025 1 252 . 1 1 55 55 VAL N N 15 122.666 0.082 . 1 . . . . . . . . 6025 1 253 . 1 1 56 56 TYR H H 1 8.221 0.007 . 1 . . . . . . . . 6025 1 254 . 1 1 56 56 TYR C C 13 174.825 0 . 1 . . . . . . . . 6025 1 255 . 1 1 56 56 TYR CA C 13 57.812 0.022 . 1 . . . . . . . . 6025 1 256 . 1 1 56 56 TYR CB C 13 39.26 0.065 . 1 . . . . . . . . 6025 1 257 . 1 1 56 56 TYR N N 15 124.309 0.092 . 1 . . . . . . . . 6025 1 258 . 1 1 57 57 ALA H H 1 8.135 0.007 . 1 . . . . . . . . 6025 1 259 . 1 1 57 57 ALA CA C 13 50.496 0.041 . 1 . . . . . . . . 6025 1 260 . 1 1 57 57 ALA CB C 13 18.945 0 . 1 . . . . . . . . 6025 1 261 . 1 1 57 57 ALA N N 15 127.71 0.073 . 1 . . . . . . . . 6025 1 262 . 1 1 58 58 PRO C C 13 176.627 0 . 1 . . . . . . . . 6025 1 263 . 1 1 58 58 PRO CA C 13 63.423 0.022 . 1 . . . . . . . . 6025 1 264 . 1 1 58 58 PRO CB C 13 32.206 0.017 . 1 . . . . . . . . 6025 1 265 . 1 1 59 59 PHE H H 1 8.24 0.005 . 1 . . . . . . . . 6025 1 266 . 1 1 59 59 PHE C C 13 176.201 0 . 1 . . . . . . . . 6025 1 267 . 1 1 59 59 PHE CA C 13 58.058 0.018 . 1 . . . . . . . . 6025 1 268 . 1 1 59 59 PHE CB C 13 39.558 0.095 . 1 . . . . . . . . 6025 1 269 . 1 1 59 59 PHE N N 15 119.732 0.062 . 1 . . . . . . . . 6025 1 270 . 1 1 60 60 THR H H 1 8.073 0.006 . 1 . . . . . . . . 6025 1 271 . 1 1 60 60 THR HA H 1 4.294 0 . 1 . . . . . . . . 6025 1 272 . 1 1 60 60 THR C C 13 174.841 0 . 1 . . . . . . . . 6025 1 273 . 1 1 60 60 THR CA C 13 62.199 0.054 . 1 . . . . . . . . 6025 1 274 . 1 1 60 60 THR CB C 13 70.107 0.003 . 1 . . . . . . . . 6025 1 275 . 1 1 60 60 THR N N 15 115.803 0.085 . 1 . . . . . . . . 6025 1 276 . 1 1 61 61 GLY H H 1 7.681 0.004 . 1 . . . . . . . . 6025 1 277 . 1 1 61 61 GLY HA2 H 1 3.966 0 . 1 . . . . . . . . 6025 1 278 . 1 1 61 61 GLY HA3 H 1 3.966 0 . 1 . . . . . . . . 6025 1 279 . 1 1 61 61 GLY C C 13 173.627 0 . 1 . . . . . . . . 6025 1 280 . 1 1 61 61 GLY CA C 13 45.559 0.057 . 1 . . . . . . . . 6025 1 281 . 1 1 61 61 GLY N N 15 110.384 0.076 . 1 . . . . . . . . 6025 1 282 . 1 1 62 62 MET H H 1 8.046 0.006 . 1 . . . . . . . . 6025 1 283 . 1 1 62 62 MET HA H 1 4.526 0 . 1 . . . . . . . . 6025 1 284 . 1 1 62 62 MET C C 13 175.914 0 . 1 . . . . . . . . 6025 1 285 . 1 1 62 62 MET CA C 13 55.808 0.053 . 1 . . . . . . . . 6025 1 286 . 1 1 62 62 MET CB C 13 33.281 0.019 . 1 . . . . . . . . 6025 1 287 . 1 1 62 62 MET N N 15 119.684 0.059 . 1 . . . . . . . . 6025 1 288 . 1 1 63 63 ILE H H 1 8.279 0.005 . 1 . . . . . . . . 6025 1 289 . 1 1 63 63 ILE HA H 1 4.173 0 . 1 . . . . . . . . 6025 1 290 . 1 1 63 63 ILE C C 13 176.161 0 . 1 . . . . . . . . 6025 1 291 . 1 1 63 63 ILE CA C 13 61.209 0.043 . 1 . . . . . . . . 6025 1 292 . 1 1 63 63 ILE CB C 13 38.811 0.063 . 1 . . . . . . . . 6025 1 293 . 1 1 63 63 ILE N N 15 123.761 0.087 . 1 . . . . . . . . 6025 1 294 . 1 1 64 64 VAL H H 1 8.276 0.01 . 1 . . . . . . . . 6025 1 295 . 1 1 64 64 VAL C C 13 176.59 0 . 1 . . . . . . . . 6025 1 296 . 1 1 64 64 VAL CA C 13 62.858 0.034 . 1 . . . . . . . . 6025 1 297 . 1 1 64 64 VAL CB C 13 32.986 0.043 . 1 . . . . . . . . 6025 1 298 . 1 1 64 64 VAL N N 15 125.527 0.087 . 1 . . . . . . . . 6025 1 299 . 1 1 65 65 GLY H H 1 8.559 0.002 . 1 . . . . . . . . 6025 1 300 . 1 1 65 65 GLY HA2 H 1 4.056 0 . 1 . . . . . . . . 6025 1 301 . 1 1 65 65 GLY HA3 H 1 4.056 0 . 1 . . . . . . . . 6025 1 302 . 1 1 65 65 GLY C C 13 174.036 0 . 1 . . . . . . . . 6025 1 303 . 1 1 65 65 GLY CA C 13 45.531 0.043 . 1 . . . . . . . . 6025 1 304 . 1 1 65 65 GLY N N 15 113.309 0.089 . 1 . . . . . . . . 6025 1 305 . 1 1 66 66 GLN H H 1 8.198 0.004 . 1 . . . . . . . . 6025 1 306 . 1 1 66 66 GLN HA H 1 4.439 0 . 1 . . . . . . . . 6025 1 307 . 1 1 66 66 GLN C C 13 175.888 0 . 1 . . . . . . . . 6025 1 308 . 1 1 66 66 GLN CA C 13 55.9 0.074 . 1 . . . . . . . . 6025 1 309 . 1 1 66 66 GLN CB C 13 30.003 0.059 . 1 . . . . . . . . 6025 1 310 . 1 1 66 66 GLN N N 15 119.867 0.076 . 1 . . . . . . . . 6025 1 311 . 1 1 67 67 GLU H H 1 8.584 0.003 . 1 . . . . . . . . 6025 1 312 . 1 1 67 67 GLU HA H 1 4.345 0 . 1 . . . . . . . . 6025 1 313 . 1 1 67 67 GLU C C 13 176.228 0 . 1 . . . . . . . . 6025 1 314 . 1 1 67 67 GLU CA C 13 56.987 0.056 . 1 . . . . . . . . 6025 1 315 . 1 1 67 67 GLU CB C 13 30.494 0.032 . 1 . . . . . . . . 6025 1 316 . 1 1 67 67 GLU N N 15 122.572 0.064 . 1 . . . . . . . . 6025 1 317 . 1 1 68 68 LYS H H 1 8.354 0.006 . 1 . . . . . . . . 6025 1 318 . 1 1 68 68 LYS CA C 13 54.456 0.026 . 1 . . . . . . . . 6025 1 319 . 1 1 68 68 LYS CB C 13 32.743 0 . 1 . . . . . . . . 6025 1 320 . 1 1 68 68 LYS N N 15 123.331 0.07 . 1 . . . . . . . . 6025 1 321 . 1 1 69 69 PRO HA H 1 4.447 0 . 1 . . . . . . . . 6025 1 322 . 1 1 69 69 PRO C C 13 174.518 0 . 1 . . . . . . . . 6025 1 323 . 1 1 69 69 PRO CA C 13 63.459 0.032 . 1 . . . . . . . . 6025 1 324 . 1 1 69 69 PRO CB C 13 32.313 0.08 . 1 . . . . . . . . 6025 1 325 . 1 1 70 70 TYR H H 1 8.13 0.005 . 1 . . . . . . . . 6025 1 326 . 1 1 70 70 TYR HA H 1 4.396 0 . 1 . . . . . . . . 6025 1 327 . 1 1 70 70 TYR C C 13 175.678 0 . 1 . . . . . . . . 6025 1 328 . 1 1 70 70 TYR CA C 13 58.169 0.056 . 1 . . . . . . . . 6025 1 329 . 1 1 70 70 TYR CB C 13 38.793 0.076 . 1 . . . . . . . . 6025 1 330 . 1 1 70 70 TYR N N 15 119.928 0.091 . 1 . . . . . . . . 6025 1 331 . 1 1 71 71 GLN CA C 13 55.81 0.054 . 1 . . . . . . . . 6025 1 332 . 1 1 71 71 GLN CB C 13 29.913 0.037 . 1 . . . . . . . . 6025 1 333 . 1 1 71 71 GLN H H 1 8.101 0.004 . 1 . . . . . . . . 6025 1 334 . 1 1 71 71 GLN N N 15 122.244 0.077 . 1 . . . . . . . . 6025 1 335 . 1 1 72 72 ASN H H 1 8.366 0.004 . 1 . . . . . . . . 6025 1 336 . 1 1 72 72 ASN HA H 1 4.36 0 . 1 . . . . . . . . 6025 1 337 . 1 1 72 72 ASN C C 13 176.462 0 . 1 . . . . . . . . 6025 1 338 . 1 1 72 72 ASN CA C 13 53.437 0.075 . 1 . . . . . . . . 6025 1 339 . 1 1 72 72 ASN CB C 13 39.156 0.041 . 1 . . . . . . . . 6025 1 340 . 1 1 72 72 ASN N N 15 120.558 0.053 . 1 . . . . . . . . 6025 1 341 . 1 1 73 73 LYS H H 1 8.402 0.018 . 1 . . . . . . . . 6025 1 342 . 1 1 73 73 LYS HA H 1 4.336 0 . 1 . . . . . . . . 6025 1 343 . 1 1 73 73 LYS C C 13 176.38 0 . 1 . . . . . . . . 6025 1 344 . 1 1 73 73 LYS CA C 13 57.131 0.047 . 1 . . . . . . . . 6025 1 345 . 1 1 73 73 LYS CB C 13 33.094 0.041 . 1 . . . . . . . . 6025 1 346 . 1 1 73 73 LYS N N 15 122.493 0.069 . 1 . . . . . . . . 6025 1 347 . 1 1 74 74 ASN H H 1 8.392 0.003 . 1 . . . . . . . . 6025 1 348 . 1 1 74 74 ASN HA H 1 4.769 0 . 1 . . . . . . . . 6025 1 349 . 1 1 74 74 ASN C C 13 174.776 0 . 1 . . . . . . . . 6025 1 350 . 1 1 74 74 ASN CA C 13 53.557 0.093 . 1 . . . . . . . . 6025 1 351 . 1 1 74 74 ASN CB C 13 39.233 0.078 . 1 . . . . . . . . 6025 1 352 . 1 1 74 74 ASN N N 15 118.994 0.056 . 1 . . . . . . . . 6025 1 353 . 1 1 75 75 ALA H H 1 8.079 0.003 . 1 . . . . . . . . 6025 1 354 . 1 1 75 75 ALA HA H 1 4.255 0 . 1 . . . . . . . . 6025 1 355 . 1 1 75 75 ALA C C 13 177.325 0 . 1 . . . . . . . . 6025 1 356 . 1 1 75 75 ALA CA C 13 52.841 0.046 . 1 . . . . . . . . 6025 1 357 . 1 1 75 75 ALA CB C 13 19.722 0.074 . 1 . . . . . . . . 6025 1 358 . 1 1 75 75 ALA N N 15 124.081 0.089 . 1 . . . . . . . . 6025 1 359 . 1 1 76 76 ILE H H 1 8.009 0.005 . 1 . . . . . . . . 6025 1 360 . 1 1 76 76 ILE HA H 1 4.243 0 . 1 . . . . . . . . 6025 1 361 . 1 1 76 76 ILE C C 13 175.222 0 . 1 . . . . . . . . 6025 1 362 . 1 1 76 76 ILE CA C 13 61.432 0.062 . 1 . . . . . . . . 6025 1 363 . 1 1 76 76 ILE CB C 13 39.273 0.095 . 1 . . . . . . . . 6025 1 364 . 1 1 76 76 ILE N N 15 119.257 0.083 . 1 . . . . . . . . 6025 1 365 . 1 1 77 77 ASN H H 1 7.979 0.001 . 1 . . . . . . . . 6025 1 366 . 1 1 77 77 ASN N N 15 127.512 0.034 . 1 . . . . . . . . 6025 1 367 . 1 1 78 78 ASN H H 1 7.976 0.003 . 1 . . . . . . . . 6025 1 368 . 1 1 78 78 ASN HA H 1 4.588 0 . 1 . . . . . . . . 6025 1 369 . 1 1 78 78 ASN C C 13 176.08 0 . 1 . . . . . . . . 6025 1 370 . 1 1 78 78 ASN CA C 13 41.313 0.046 . 1 . . . . . . . . 6025 1 371 . 1 1 78 78 ASN CB C 13 55.09 0.013 . 1 . . . . . . . . 6025 1 372 . 1 1 78 78 ASN N N 15 127.545 0.045 . 1 . . . . . . . . 6025 1 373 . 1 1 79 79 GLY H H 1 8.259 0.002 . 1 . . . . . . . . 6025 1 374 . 1 1 79 79 GLY HA2 H 1 5.315 1.803 . 1 . . . . . . . . 6025 1 375 . 1 1 79 79 GLY HA3 H 1 5.315 1.803 . 1 . . . . . . . . 6025 1 376 . 1 1 79 79 GLY C C 13 173.975 0 . 1 . . . . . . . . 6025 1 377 . 1 1 79 79 GLY CA C 13 45.591 0.063 . 1 . . . . . . . . 6025 1 378 . 1 1 79 79 GLY N N 15 113.666 0.088 . 1 . . . . . . . . 6025 1 379 . 1 1 80 80 VAL H H 1 8.011 0.006 . 1 . . . . . . . . 6025 1 380 . 1 1 80 80 VAL HA H 1 4.234 0 . 1 . . . . . . . . 6025 1 381 . 1 1 80 80 VAL C C 13 175.827 0 . 1 . . . . . . . . 6025 1 382 . 1 1 80 80 VAL CA C 13 62.457 0.038 . 1 . . . . . . . . 6025 1 383 . 1 1 80 80 VAL CB C 13 33.235 0.068 . 1 . . . . . . . . 6025 1 384 . 1 1 80 80 VAL N N 15 118.55 0.077 . 1 . . . . . . . . 6025 1 385 . 1 1 81 81 ARG H H 1 8.44 0.007 . 1 . . . . . . . . 6025 1 386 . 1 1 81 81 ARG HA H 1 4.648 0.014 . 1 . . . . . . . . 6025 1 387 . 1 1 81 81 ARG C C 13 176.259 0 . 1 . . . . . . . . 6025 1 388 . 1 1 81 81 ARG CA C 13 54.587 0.055 . 1 . . . . . . . . 6025 1 389 . 1 1 81 81 ARG CB C 13 41.617 0.071 . 1 . . . . . . . . 6025 1 390 . 1 1 81 81 ARG N N 15 123.648 0.093 . 1 . . . . . . . . 6025 1 391 . 1 1 82 82 ILE H H 1 8.023 0.009 . 1 . . . . . . . . 6025 1 392 . 1 1 82 82 ILE HA H 1 4.26 0 . 1 . . . . . . . . 6025 1 393 . 1 1 82 82 ILE C C 13 176.26 0 . 1 . . . . . . . . 6025 1 394 . 1 1 82 82 ILE CA C 13 61.298 0.057 . 1 . . . . . . . . 6025 1 395 . 1 1 82 82 ILE CB C 13 39.357 0.095 . 1 . . . . . . . . 6025 1 396 . 1 1 82 82 ILE N N 15 119.762 0.11 . 1 . . . . . . . . 6025 1 397 . 1 1 83 83 SER H H 1 8.341 0.009 . 1 . . . . . . . . 6025 1 398 . 1 1 83 83 SER HA H 1 4.517 0 . 1 . . . . . . . . 6025 1 399 . 1 1 83 83 SER C C 13 175 0 . 1 . . . . . . . . 6025 1 400 . 1 1 83 83 SER CA C 13 58.687 0.072 . 1 . . . . . . . . 6025 1 401 . 1 1 83 83 SER CB C 13 64.352 0.053 . 1 . . . . . . . . 6025 1 402 . 1 1 83 83 SER N N 15 119.56 0.092 . 1 . . . . . . . . 6025 1 403 . 1 1 84 84 GLY H H 1 8.438 0.007 . 1 . . . . . . . . 6025 1 404 . 1 1 84 84 GLY HA2 H 1 4.681 0 . 1 . . . . . . . . 6025 1 405 . 1 1 84 84 GLY HA3 H 1 4.348 0 . 1 . . . . . . . . 6025 1 406 . 1 1 84 84 GLY C C 13 172.488 0 . 1 . . . . . . . . 6025 1 407 . 1 1 84 84 GLY CA C 13 45.794 0.038 . 1 . . . . . . . . 6025 1 408 . 1 1 84 84 GLY N N 15 111.081 0.081 . 1 . . . . . . . . 6025 1 409 . 1 1 85 85 ARG H H 1 9.081 0.005 . 1 . . . . . . . . 6025 1 410 . 1 1 85 85 ARG HA H 1 4.394 0 . 1 . . . . . . . . 6025 1 411 . 1 1 85 85 ARG C C 13 175.534 0 . 1 . . . . . . . . 6025 1 412 . 1 1 85 85 ARG CA C 13 57.209 0.057 . 1 . . . . . . . . 6025 1 413 . 1 1 85 85 ARG CB C 13 28.397 0.056 . 1 . . . . . . . . 6025 1 414 . 1 1 85 85 ARG N N 15 121.564 0.082 . 1 . . . . . . . . 6025 1 415 . 1 1 86 86 GLY H H 1 8.334 0.005 . 1 . . . . . . . . 6025 1 416 . 1 1 86 86 GLY HA2 H 1 3.731 0 . 1 . . . . . . . . 6025 1 417 . 1 1 86 86 GLY HA3 H 1 3.486 0 . 1 . . . . . . . . 6025 1 418 . 1 1 86 86 GLY C C 13 173.407 0 . 1 . . . . . . . . 6025 1 419 . 1 1 86 86 GLY CA C 13 45.182 0.041 . 1 . . . . . . . . 6025 1 420 . 1 1 86 86 GLY N N 15 109.294 0.063 . 1 . . . . . . . . 6025 1 421 . 1 1 87 87 PHE H H 1 7.274 0.005 . 1 . . . . . . . . 6025 1 422 . 1 1 87 87 PHE CA C 13 54.962 0.072 . 1 . . . . . . . . 6025 1 423 . 1 1 87 87 PHE CB C 13 41.743 0 . 1 . . . . . . . . 6025 1 424 . 1 1 87 87 PHE N N 15 117.603 0.085 . 1 . . . . . . . . 6025 1 425 . 1 1 88 88 CYS H H 1 9.323 0.01 . 1 . . . . . . . . 6025 1 426 . 1 1 88 88 CYS CA C 13 57.657 0.007 . 1 . . . . . . . . 6025 1 427 . 1 1 88 88 CYS N N 15 123.594 0.075 . 1 . . . . . . . . 6025 1 428 . 1 1 94 94 ILE C C 13 175.486 0 . 1 . . . . . . . . 6025 1 429 . 1 1 95 95 LYS H H 1 8.003 0.002 . 1 . . . . . . . . 6025 1 430 . 1 1 95 95 LYS N N 15 129.226 0.003 . 1 . . . . . . . . 6025 1 431 . 1 1 96 96 PRO HA H 1 4.45 0.033 . 1 . . . . . . . . 6025 1 432 . 1 1 96 96 PRO C C 13 176.726 0 . 1 . . . . . . . . 6025 1 433 . 1 1 96 96 PRO CA C 13 63.171 0.05 . 1 . . . . . . . . 6025 1 434 . 1 1 96 96 PRO CB C 13 32.479 0.025 . 1 . . . . . . . . 6025 1 435 . 1 1 97 97 ILE H H 1 8.181 0.006 . 1 . . . . . . . . 6025 1 436 . 1 1 97 97 ILE HA H 1 4.144 0.023 . 1 . . . . . . . . 6025 1 437 . 1 1 97 97 ILE C C 13 174.317 0 . 1 . . . . . . . . 6025 1 438 . 1 1 97 97 ILE CA C 13 61.662 0.408 . 1 . . . . . . . . 6025 1 439 . 1 1 97 97 ILE CB C 13 39.154 0.057 . 1 . . . . . . . . 6025 1 440 . 1 1 97 97 ILE N N 15 121.873 0.093 . 1 . . . . . . . . 6025 1 441 . 1 1 98 98 LYS H H 1 8.409 0.002 . 1 . . . . . . . . 6025 1 442 . 1 1 98 98 LYS HA H 1 4.173 0 . 1 . . . . . . . . 6025 1 443 . 1 1 98 98 LYS C C 13 176.121 0 . 1 . . . . . . . . 6025 1 444 . 1 1 98 98 LYS CA C 13 56.286 0.023 . 1 . . . . . . . . 6025 1 445 . 1 1 98 98 LYS CB C 13 33.542 0.057 . 1 . . . . . . . . 6025 1 446 . 1 1 98 98 LYS N N 15 126.451 0.087 . 1 . . . . . . . . 6025 1 447 . 1 1 99 99 TYR H H 1 8.104 0.097 . 1 . . . . . . . . 6025 1 448 . 1 1 99 99 TYR HA H 1 4.684 0 . 1 . . . . . . . . 6025 1 449 . 1 1 99 99 TYR C C 13 175.88 0 . 1 . . . . . . . . 6025 1 450 . 1 1 99 99 TYR CA C 13 55.394 0.348 . 1 . . . . . . . . 6025 1 451 . 1 1 99 99 TYR CB C 13 42.579 0.05 . 1 . . . . . . . . 6025 1 452 . 1 1 99 99 TYR N N 15 125.52 0.091 . 1 . . . . . . . . 6025 1 453 . 1 1 100 100 LYS H H 1 8.268 0.007 . 1 . . . . . . . . 6025 1 454 . 1 1 100 100 LYS HA H 1 4.418 0 . 1 . . . . . . . . 6025 1 455 . 1 1 100 100 LYS C C 13 176.129 0 . 1 . . . . . . . . 6025 1 456 . 1 1 100 100 LYS CA C 13 56.183 0.075 . 1 . . . . . . . . 6025 1 457 . 1 1 100 100 LYS CB C 13 29.971 0.069 . 1 . . . . . . . . 6025 1 458 . 1 1 100 100 LYS N N 15 120.926 0.094 . 1 . . . . . . . . 6025 1 459 . 1 1 101 101 GLY H H 1 8.516 0.005 . 1 . . . . . . . . 6025 1 460 . 1 1 101 101 GLY CA C 13 45.606 0.027 . 1 . . . . . . . . 6025 1 461 . 1 1 101 101 GLY N N 15 110.795 0.095 . 1 . . . . . . . . 6025 1 462 . 1 1 102 102 PRO HA H 1 4.52 0 . 1 . . . . . . . . 6025 1 463 . 1 1 102 102 PRO C C 13 173.132 0 . 1 . . . . . . . . 6025 1 464 . 1 1 102 102 PRO CA C 13 63.177 0.059 . 1 . . . . . . . . 6025 1 465 . 1 1 102 102 PRO CB C 13 32.382 0.19 . 1 . . . . . . . . 6025 1 466 . 1 1 103 103 ILE H H 1 8.264 0.004 . 1 . . . . . . . . 6025 1 467 . 1 1 103 103 ILE CA C 13 61.48 0.071 . 1 . . . . . . . . 6025 1 468 . 1 1 103 103 ILE CB C 13 39.085 0.042 . 1 . . . . . . . . 6025 1 469 . 1 1 103 103 ILE N N 15 121.583 0.148 . 1 . . . . . . . . 6025 1 470 . 1 1 104 104 LYS H H 1 8.495 0.004 . 1 . . . . . . . . 6025 1 471 . 1 1 104 104 LYS C C 13 176.424 0 . 1 . . . . . . . . 6025 1 472 . 1 1 104 104 LYS CA C 13 56.159 0.078 . 1 . . . . . . . . 6025 1 473 . 1 1 104 104 LYS CB C 13 29.971 0.083 . 1 . . . . . . . . 6025 1 474 . 1 1 104 104 LYS N N 15 124.351 0.083 . 1 . . . . . . . . 6025 1 475 . 1 1 105 105 LYS H H 1 8.497 0.007 . 1 . . . . . . . . 6025 1 476 . 1 1 105 105 LYS HA H 1 4.144 0.469 . 1 . . . . . . . . 6025 1 477 . 1 1 105 105 LYS C C 13 177.132 0 . 1 . . . . . . . . 6025 1 478 . 1 1 105 105 LYS CA C 13 56.706 0 . 1 . . . . . . . . 6025 1 479 . 1 1 105 105 LYS CB C 13 33.891 0 . 1 . . . . . . . . 6025 1 480 . 1 1 105 105 LYS N N 15 124.185 0.162 . 1 . . . . . . . . 6025 1 481 . 1 1 106 106 GLY H H 1 8.513 0.004 . 1 . . . . . . . . 6025 1 482 . 1 1 106 106 GLY HA2 H 1 4.345 0 . 1 . . . . . . . . 6025 1 483 . 1 1 106 106 GLY HA3 H 1 4.103 0 . 1 . . . . . . . . 6025 1 484 . 1 1 106 106 GLY C C 13 173.138 0 . 1 . . . . . . . . 6025 1 485 . 1 1 106 106 GLY CA C 13 45.514 0.097 . 1 . . . . . . . . 6025 1 486 . 1 1 106 106 GLY N N 15 110.817 0.072 . 1 . . . . . . . . 6025 1 487 . 1 1 107 107 GLU H H 1 8.263 0.004 . 1 . . . . . . . . 6025 1 488 . 1 1 107 107 GLU HA H 1 4.41 0 . 1 . . . . . . . . 6025 1 489 . 1 1 107 107 GLU C C 13 174.467 0 . 1 . . . . . . . . 6025 1 490 . 1 1 107 107 GLU CA C 13 54.817 0.098 . 1 . . . . . . . . 6025 1 491 . 1 1 107 107 GLU CB C 13 30.958 0.044 . 1 . . . . . . . . 6025 1 492 . 1 1 107 107 GLU N N 15 121.213 0.097 . 1 . . . . . . . . 6025 1 493 . 1 1 108 108 LYS H H 1 8.438 0.008 . 1 . . . . . . . . 6025 1 494 . 1 1 108 108 LYS HA H 1 4.365 0 . 1 . . . . . . . . 6025 1 495 . 1 1 108 108 LYS C C 13 176.517 0 . 1 . . . . . . . . 6025 1 496 . 1 1 108 108 LYS CA C 13 56.55 0.068 . 1 . . . . . . . . 6025 1 497 . 1 1 108 108 LYS CB C 13 33.155 0.095 . 1 . . . . . . . . 6025 1 498 . 1 1 108 108 LYS N N 15 122.493 0.092 . 1 . . . . . . . . 6025 1 499 . 1 1 109 109 LEU H H 1 8.319 0.004 . 1 . . . . . . . . 6025 1 500 . 1 1 109 109 LEU C C 13 177.928 0 . 1 . . . . . . . . 6025 1 501 . 1 1 109 109 LEU CA C 13 55.567 0.071 . 1 . . . . . . . . 6025 1 502 . 1 1 109 109 LEU CB C 13 42.757 0.08 . 1 . . . . . . . . 6025 1 503 . 1 1 109 109 LEU N N 15 123.835 0.065 . 1 . . . . . . . . 6025 1 504 . 1 1 110 110 GLY H H 1 8.482 0.004 . 1 . . . . . . . . 6025 1 505 . 1 1 110 110 GLY HA2 H 1 4.066 0 . 1 . . . . . . . . 6025 1 506 . 1 1 110 110 GLY HA3 H 1 4.066 0 . 1 . . . . . . . . 6025 1 507 . 1 1 110 110 GLY C C 13 174.212 0 . 1 . . . . . . . . 6025 1 508 . 1 1 110 110 GLY CA C 13 45.619 0.063 . 1 . . . . . . . . 6025 1 509 . 1 1 110 110 GLY N N 15 110.025 0.084 . 1 . . . . . . . . 6025 1 510 . 1 1 111 111 THR H H 1 7.98 0.003 . 1 . . . . . . . . 6025 1 511 . 1 1 111 111 THR HA H 1 4.258 0 . 1 . . . . . . . . 6025 1 512 . 1 1 111 111 THR C C 13 174.289 0 . 1 . . . . . . . . 6025 1 513 . 1 1 111 111 THR CA C 13 62.232 0.049 . 1 . . . . . . . . 6025 1 514 . 1 1 111 111 THR CB C 13 70.132 0.064 . 1 . . . . . . . . 6025 1 515 . 1 1 111 111 THR N N 15 114.022 0.08 . 1 . . . . . . . . 6025 1 516 . 1 1 112 112 LEU H H 1 8.259 0.004 . 1 . . . . . . . . 6025 1 517 . 1 1 112 112 LEU HA H 1 4.445 0 . 1 . . . . . . . . 6025 1 518 . 1 1 112 112 LEU C C 13 176.854 0 . 1 . . . . . . . . 6025 1 519 . 1 1 112 112 LEU CA C 13 55.326 0.041 . 1 . . . . . . . . 6025 1 520 . 1 1 112 112 LEU CB C 13 42.718 0.015 . 1 . . . . . . . . 6025 1 521 . 1 1 112 112 LEU N N 15 125.024 0.085 . 1 . . . . . . . . 6025 1 522 . 1 1 113 113 LEU H H 1 8.188 0.005 . 1 . . . . . . . . 6025 1 523 . 1 1 113 113 LEU CA C 13 53.337 0 . 1 . . . . . . . . 6025 1 524 . 1 1 113 113 LEU CB C 13 42.192 0.018 . 1 . . . . . . . . 6025 1 525 . 1 1 113 113 LEU N N 15 124.698 0.091 . 1 . . . . . . . . 6025 1 526 . 1 1 114 114 PRO HA H 1 4.443 0 . 1 . . . . . . . . 6025 1 527 . 1 1 114 114 PRO C C 13 176.631 0 . 1 . . . . . . . . 6025 1 528 . 1 1 114 114 PRO CA C 13 63.449 0.021 . 1 . . . . . . . . 6025 1 529 . 1 1 114 114 PRO CB C 13 32.313 0.073 . 1 . . . . . . . . 6025 1 530 . 1 1 115 115 LEU H H 1 8.131 0.006 . 1 . . . . . . . . 6025 1 531 . 1 1 115 115 LEU HA H 1 4.242 0 . 1 . . . . . . . . 6025 1 532 . 1 1 115 115 LEU C C 13 174.348 0 . 1 . . . . . . . . 6025 1 533 . 1 1 115 115 LEU CA C 13 58.222 0.077 . 1 . . . . . . . . 6025 1 534 . 1 1 115 115 LEU CB C 13 38.747 0.005 . 1 . . . . . . . . 6025 1 535 . 1 1 115 115 LEU N N 15 119.899 0.079 . 1 . . . . . . . . 6025 1 536 . 1 1 116 116 GLN H H 1 8.193 0.07 . 1 . . . . . . . . 6025 1 537 . 1 1 116 116 GLN HA H 1 4.434 0 . 1 . . . . . . . . 6025 1 538 . 1 1 116 116 GLN C C 13 176.377 0 . 1 . . . . . . . . 6025 1 539 . 1 1 116 116 GLN CB C 13 31.885 0.083 . 1 . . . . . . . . 6025 1 540 . 1 1 116 116 GLN N N 15 121.08 0.09 . 1 . . . . . . . . 6025 1 541 . 1 1 117 117 LYS H H 1 8.101 0.004 . 1 . . . . . . . . 6025 1 542 . 1 1 117 117 LYS HA H 1 4.354 0 . 1 . . . . . . . . 6025 1 543 . 1 1 117 117 LYS C C 13 175.865 0 . 1 . . . . . . . . 6025 1 544 . 1 1 117 117 LYS CA C 13 56.564 0.019 . 1 . . . . . . . . 6025 1 545 . 1 1 117 117 LYS CB C 13 33.305 0.087 . 1 . . . . . . . . 6025 1 546 . 1 1 117 117 LYS N N 15 120.865 0.025 . 1 . . . . . . . . 6025 1 547 . 1 1 118 118 VAL H H 1 7.97 0.003 . 1 . . . . . . . . 6025 1 548 . 1 1 118 118 VAL C C 13 175.288 0 . 1 . . . . . . . . 6025 1 549 . 1 1 118 118 VAL CA C 13 62.158 0.073 . 1 . . . . . . . . 6025 1 550 . 1 1 118 118 VAL CB C 13 33.434 0.089 . 1 . . . . . . . . 6025 1 551 . 1 1 118 118 VAL N N 15 121.168 0.047 . 1 . . . . . . . . 6025 1 552 . 1 1 119 119 TYR H H 1 8.347 0.007 . 1 . . . . . . . . 6025 1 553 . 1 1 119 119 TYR CA C 13 55.853 0.054 . 1 . . . . . . . . 6025 1 554 . 1 1 119 119 TYR CB C 13 33.421 0 . 1 . . . . . . . . 6025 1 555 . 1 1 119 119 TYR N N 15 125.439 0.08 . 1 . . . . . . . . 6025 1 556 . 1 1 120 120 PRO HA H 1 4.457 0.025 . 1 . . . . . . . . 6025 1 557 . 1 1 120 120 PRO C C 13 177.332 0 . 1 . . . . . . . . 6025 1 558 . 1 1 120 120 PRO CA C 13 63.688 0.029 . 1 . . . . . . . . 6025 1 559 . 1 1 120 120 PRO CB C 13 32.474 0.083 . 1 . . . . . . . . 6025 1 560 . 1 1 121 121 GLY H H 1 8.101 0.002 . 1 . . . . . . . . 6025 1 561 . 1 1 121 121 GLY HA2 H 1 4.026 0 . 1 . . . . . . . . 6025 1 562 . 1 1 121 121 GLY HA3 H 1 4.026 0 . 1 . . . . . . . . 6025 1 563 . 1 1 121 121 GLY C C 13 174.19 0 . 1 . . . . . . . . 6025 1 564 . 1 1 121 121 GLY CA C 13 45.555 0.011 . 1 . . . . . . . . 6025 1 565 . 1 1 121 121 GLY N N 15 108.799 0.075 . 1 . . . . . . . . 6025 1 566 . 1 1 122 122 ILE H H 1 7.966 0.004 . 1 . . . . . . . . 6025 1 567 . 1 1 122 122 ILE HA H 1 4.179 0.005 . 1 . . . . . . . . 6025 1 568 . 1 1 122 122 ILE C C 13 176.414 0 . 1 . . . . . . . . 6025 1 569 . 1 1 122 122 ILE CA C 13 61.532 0.05 . 1 . . . . . . . . 6025 1 570 . 1 1 122 122 ILE CB C 13 39.224 0.07 . 1 . . . . . . . . 6025 1 571 . 1 1 122 122 ILE N N 15 120.132 0.065 . 1 . . . . . . . . 6025 1 572 . 1 1 123 123 GLN H H 1 8.495 0.004 . 1 . . . . . . . . 6025 1 573 . 1 1 123 123 GLN C C 13 175.833 0 . 1 . . . . . . . . 6025 1 574 . 1 1 123 123 GLN CA C 13 56.059 0.044 . 1 . . . . . . . . 6025 1 575 . 1 1 123 123 GLN CB C 13 29.82 0.044 . 1 . . . . . . . . 6025 1 576 . 1 1 123 123 GLN N N 15 124.306 0.069 . 1 . . . . . . . . 6025 1 577 . 1 1 124 124 SER H H 1 8.273 0.004 . 1 . . . . . . . . 6025 1 578 . 1 1 124 124 SER HA H 1 3.912 0.019 . 1 . . . . . . . . 6025 1 579 . 1 1 124 124 SER C C 13 174.51 0 . 1 . . . . . . . . 6025 1 580 . 1 1 124 124 SER CA C 13 64.354 0 . 1 . . . . . . . . 6025 1 581 . 1 1 124 124 SER CB C 13 59.359 0 . 1 . . . . . . . . 6025 1 582 . 1 1 124 124 SER N N 15 117.029 0.077 . 1 . . . . . . . . 6025 1 583 . 1 1 125 125 HIS H H 1 8.347 0.006 . 1 . . . . . . . . 6025 1 584 . 1 1 125 125 HIS HA H 1 4.425 0 . 1 . . . . . . . . 6025 1 585 . 1 1 125 125 HIS C C 13 174.363 0 . 1 . . . . . . . . 6025 1 586 . 1 1 125 125 HIS CA C 13 55.74 0.037 . 1 . . . . . . . . 6025 1 587 . 1 1 125 125 HIS CB C 13 29.741 0.031 . 1 . . . . . . . . 6025 1 588 . 1 1 125 125 HIS N N 15 121.798 0.038 . 1 . . . . . . . . 6025 1 589 . 1 1 126 126 VAL H H 1 8.063 0.004 . 1 . . . . . . . . 6025 1 590 . 1 1 126 126 VAL HA H 1 4.423 0 . 1 . . . . . . . . 6025 1 591 . 1 1 126 126 VAL C C 13 176.369 0 . 1 . . . . . . . . 6025 1 592 . 1 1 126 126 VAL CA C 13 62.603 0.06 . 1 . . . . . . . . 6025 1 593 . 1 1 126 126 VAL CB C 13 33.408 0.096 . 1 . . . . . . . . 6025 1 594 . 1 1 126 126 VAL N N 15 121.054 0.07 . 1 . . . . . . . . 6025 1 595 . 1 1 127 127 HIS H H 1 8.61 0.024 . 1 . . . . . . . . 6025 1 596 . 1 1 127 127 HIS HA H 1 4.546 0 . 1 . . . . . . . . 6025 1 597 . 1 1 127 127 HIS C C 13 175.931 0 . 1 . . . . . . . . 6025 1 598 . 1 1 127 127 HIS CA C 13 55.641 0.041 . 1 . . . . . . . . 6025 1 599 . 1 1 127 127 HIS CB C 13 29.695 0.003 . 1 . . . . . . . . 6025 1 600 . 1 1 127 127 HIS N N 15 123.411 0.1 . 1 . . . . . . . . 6025 1 601 . 1 1 128 128 ILE H H 1 8.243 0.003 . 1 . . . . . . . . 6025 1 602 . 1 1 128 128 ILE C C 13 175.835 0 . 1 . . . . . . . . 6025 1 603 . 1 1 128 128 ILE CA C 13 61.168 0.051 . 1 . . . . . . . . 6025 1 604 . 1 1 128 128 ILE CB C 13 39.167 0.043 . 1 . . . . . . . . 6025 1 605 . 1 1 128 128 ILE N N 15 124.407 0.089 . 1 . . . . . . . . 6025 1 606 . 1 1 129 129 GLU H H 1 8.589 0.005 . 1 . . . . . . . . 6025 1 607 . 1 1 129 129 GLU HA H 1 4.18 0 . 1 . . . . . . . . 6025 1 608 . 1 1 129 129 GLU C C 13 176.21 0 . 1 . . . . . . . . 6025 1 609 . 1 1 129 129 GLU CA C 13 56.823 0.011 . 1 . . . . . . . . 6025 1 610 . 1 1 129 129 GLU CB C 13 30.829 0 . 1 . . . . . . . . 6025 1 611 . 1 1 129 129 GLU N N 15 125.152 0.095 . 1 . . . . . . . . 6025 1 612 . 1 1 130 130 ASN H H 1 8.42 0.007 . 1 . . . . . . . . 6025 1 613 . 1 1 130 130 ASN CA C 13 53.368 0.072 . 1 . . . . . . . . 6025 1 614 . 1 1 130 130 ASN CB C 13 39.744 0.018 . 1 . . . . . . . . 6025 1 615 . 1 1 130 130 ASN N N 15 125.113 0.044 . 1 . . . . . . . . 6025 1 616 . 1 1 131 131 CYS H H 1 7.997 0.003 . 1 . . . . . . . . 6025 1 617 . 1 1 131 131 CYS CA C 13 55.13 0.031 . 1 . . . . . . . . 6025 1 618 . 1 1 131 131 CYS CB C 13 41.235 0 . 1 . . . . . . . . 6025 1 619 . 1 1 131 131 CYS N N 15 124.946 0.071 . 1 . . . . . . . . 6025 1 620 . 1 1 132 132 ASP C C 13 176.177 0 . 1 . . . . . . . . 6025 1 621 . 1 1 132 132 ASP CA C 13 54.682 0.031 . 1 . . . . . . . . 6025 1 622 . 1 1 132 132 ASP CB C 13 41.505 0 . 1 . . . . . . . . 6025 1 623 . 1 1 133 133 SER H H 1 8.278 0.007 . 1 . . . . . . . . 6025 1 624 . 1 1 133 133 SER HA H 1 4.586 0 . 1 . . . . . . . . 6025 1 625 . 1 1 133 133 SER C C 13 173.32 0 . 1 . . . . . . . . 6025 1 626 . 1 1 133 133 SER CA C 13 58.825 0.071 . 1 . . . . . . . . 6025 1 627 . 1 1 133 133 SER CB C 13 64.115 0.059 . 1 . . . . . . . . 6025 1 628 . 1 1 133 133 SER N N 15 116.506 0.087 . 1 . . . . . . . . 6025 1 629 . 1 1 134 134 SER H H 1 7.763 0.005 . 1 . . . . . . . . 6025 1 630 . 1 1 134 134 SER HA H 1 4.526 0 . 1 . . . . . . . . 6025 1 631 . 1 1 134 134 SER C C 13 173.822 0 . 1 . . . . . . . . 6025 1 632 . 1 1 134 134 SER CA C 13 58.777 0.059 . 1 . . . . . . . . 6025 1 633 . 1 1 134 134 SER CB C 13 64.261 0.045 . 1 . . . . . . . . 6025 1 634 . 1 1 134 134 SER N N 15 115.079 0.062 . 1 . . . . . . . . 6025 1 635 . 1 1 135 135 ASP H H 1 8.232 0.021 . 1 . . . . . . . . 6025 1 636 . 1 1 135 135 ASP CA C 13 52.171 0.043 . 1 . . . . . . . . 6025 1 637 . 1 1 135 135 ASP CB C 13 41.668 0 . 1 . . . . . . . . 6025 1 638 . 1 1 135 135 ASP N N 15 123.234 0.089 . 1 . . . . . . . . 6025 1 639 . 1 1 136 136 PRO HA H 1 4.499 0 . 1 . . . . . . . . 6025 1 640 . 1 1 136 136 PRO C C 13 177.719 0 . 1 . . . . . . . . 6025 1 641 . 1 1 136 136 PRO CA C 13 64.105 0.075 . 1 . . . . . . . . 6025 1 642 . 1 1 136 136 PRO CB C 13 32.626 0.072 . 1 . . . . . . . . 6025 1 643 . 1 1 137 137 THR H H 1 8.293 0.025 . 1 . . . . . . . . 6025 1 644 . 1 1 137 137 THR HA H 1 4.293 0 . 1 . . . . . . . . 6025 1 645 . 1 1 137 137 THR C C 13 174.638 0 . 1 . . . . . . . . 6025 1 646 . 1 1 137 137 THR CA C 13 62.936 0.017 . 1 . . . . . . . . 6025 1 647 . 1 1 137 137 THR CB C 13 69.617 0.024 . 1 . . . . . . . . 6025 1 648 . 1 1 137 137 THR N N 15 112.332 0.08 . 1 . . . . . . . . 6025 1 649 . 1 1 138 138 ALA H H 1 7.817 0.003 . 1 . . . . . . . . 6025 1 650 . 1 1 138 138 ALA HA H 1 4.234 0.015 . 1 . . . . . . . . 6025 1 651 . 1 1 138 138 ALA C C 13 177.093 0 . 1 . . . . . . . . 6025 1 652 . 1 1 138 138 ALA CA C 13 52.969 0.049 . 1 . . . . . . . . 6025 1 653 . 1 1 138 138 ALA CB C 13 19.542 0.05 . 1 . . . . . . . . 6025 1 654 . 1 1 138 138 ALA N N 15 125.273 0.088 . 1 . . . . . . . . 6025 1 655 . 1 1 139 139 TYR H H 1 7.854 0.003 . 1 . . . . . . . . 6025 1 656 . 1 1 139 139 TYR HA H 1 4.687 0 . 1 . . . . . . . . 6025 1 657 . 1 1 139 139 TYR C C 13 174.789 0 . 1 . . . . . . . . 6025 1 658 . 1 1 139 139 TYR CA C 13 57.732 0.031 . 1 . . . . . . . . 6025 1 659 . 1 1 139 139 TYR CB C 13 57.732 0.031 . 1 . . . . . . . . 6025 1 660 . 1 1 139 139 TYR N N 15 118.408 0.042 . 1 . . . . . . . . 6025 1 661 . 1 1 140 140 LEU H H 1 7.571 0.002 . 1 . . . . . . . . 6025 1 662 . 1 1 140 140 LEU CA C 13 57.034 0.061 . 1 . . . . . . . . 6025 1 663 . 1 1 140 140 LEU CB C 13 43.706 0 . 1 . . . . . . . . 6025 1 664 . 1 1 140 140 LEU N N 15 128.363 0.055 . 1 . . . . . . . . 6025 1 stop_ save_