data_18943 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18943 _Entry.Title ; N-terminal domain of pneumococcal PhtD protein with bound Zn(II) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-08 _Entry.Accession_date 2013-01-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Beate Bersch . . . 18943 2 C. Bougault . . . 18943 3 A. Favier . . . 18943 4 F. Gabel . . . 18943 5 L. Roux . . . 18943 6 T. Vernet . . . 18943 7 C. Durmort . . . 18943 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18943 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . BerschGroup . 18943 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'histidine triad' . 18943 streptococcus . 18943 'surface protein' . 18943 'ZINC-BINDING PROTEIN' . 18943 'zinc transfer' . 18943 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18943 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 529 18943 '15N chemical shifts' 128 18943 '1H chemical shifts' 816 18943 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-02-17 2013-01-08 update BMRB 'update entry citation' 18943 1 . . 2013-11-18 2013-01-08 original author 'original release' 18943 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18943 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24312273 _Citation.Full_citation . _Citation.Title 'New insights into histidine triad proteins: solution structure of a Streptococcus pneumoniae PhtD domain and zinc transfer to AdcAII.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 8 _Citation.Journal_issue 11 _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 e81168 _Citation.Page_last e81168 _Citation.Year 2013 _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 Beate Bersch . . . 18943 1 2 Catherine Bougault . . . 18943 1 3 Laure Roux . . . 18943 1 4 Adrien Favier . . . 18943 1 5 Thierry Vernet . . . 18943 1 6 Claire Durmort . . . 18943 1 stop_ save_ save_reference_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_citation_1 _Citation.Entry_ID 18943 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21425866 _Citation.Full_citation . _Citation.Title 'Biochemical characterization of the histidine triad protein PhtD as a cell surface zinc-binding protein of Pneumococcus' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 50 _Citation.Journal_issue 17 _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 3551 _Citation.Page_last 3558 _Citation.Year 2011 _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 E. Loisel . . . 18943 2 2 S. Chimalapati . . . 18943 2 3 C. Bougault . . . 18943 2 4 A. Imberty . . . 18943 2 5 B. Gallet . . . 18943 2 6 A. 'Di guilmi' . M. . 18943 2 7 J. Brown . . . 18943 2 8 T. Vernet . . . 18943 2 9 C. Durmort . . . 18943 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18943 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of pneumococcal PhtD protein with bound Zn(II)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 15821.7438 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PNEUMOCOCCAL HISTIDINE TRIAD PROTEIN D' 1 $PNEUMOCOCCAL_HISTIDINE_TRIAD_PROTEIN_D A . yes native no no . . . 18943 1 2 'ZINC ION' 2 $entity_ZN B . no native no no . . . 18943 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PNEUMOCOCCAL_HISTIDINE_TRIAD_PROTEIN_D _Entity.Sf_category entity _Entity.Sf_framecode PNEUMOCOCCAL_HISTIDINE_TRIAD_PROTEIN_D _Entity.Entry_ID 18943 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PNEUMOCOCCAL_HISTIDINE_TRIAD_PROTEIN_D _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGQVKKESNRVSYIDGDQAG QKAENLTPDEVSKREGINAE QIVIKITDQGYVTSHGDHYH YYNGKVPYDAIISEELLMKD PNYQLKDSDIVNEIKGGYVI KVDGKYYVYLKDAAHADNIR TKEEIKRQKQERSHNHNS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'residues S40-Q158' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15756.3638 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q04KS8_STRP2 . Q04KS8 . . . "Residues 2-138 of the t-PhtD sequence correspond to residues 30-166 of the Q04KS8 entry" . . . . . . . . . . 18943 1 2 no PDB 3ZFJ . "N-terminal Domain Of Pneumococcal Phtd Protein With Bound Zn(ii)" . . . . . 100.00 138 100.00 100.00 1.15e-92 . . . . 18943 1 3 no EMBL CAR68753 . "pneumococcal histidine triad protein D (bvh-11-2) [Streptococcus pneumoniae ATCC 700669]" . . . . . 100.00 838 99.28 99.28 3.10e-86 . . . . 18943 1 4 no EMBL CBW34555 . "pneumococcal histidine triad protein D (bvh-11-2) [Streptococcus pneumoniae INV200]" . . . . . 98.55 839 97.79 97.79 1.24e-82 . . . . 18943 1 5 no EMBL CBW36545 . "Pneumococcal histidine triad protein [Streptococcus pneumoniae INV104]" . . . . . 100.00 841 99.28 99.28 2.58e-86 . . . . 18943 1 6 no EMBL CEO61225 . "pneumococcal histidine triad protein D [Streptococcus pneumoniae]" . . . . . 100.00 825 97.10 98.55 3.45e-84 . . . . 18943 1 7 no EMBL CEO63999 . "pneumococcal histidine triad protein D [Streptococcus pneumoniae]" . . . . . 100.00 825 97.10 98.55 3.45e-84 . . . . 18943 1 8 no GB AAK06759 . "pneumococcal histidine triad protein B precursor [Streptococcus pneumoniae]" . . . . . 100.00 819 97.10 98.55 3.92e-84 . . . . 18943 1 9 no GB AAK06760 . "pneumococcal histidine triad protein D precursor [Streptococcus pneumoniae]" . . . . . 98.55 839 98.53 98.53 1.10e-83 . . . . 18943 1 10 no GB AAK75120 . "conserved hypothetical protein [Streptococcus pneumoniae TIGR4]" . . . . . 98.55 839 98.53 98.53 1.10e-83 . . . . 18943 1 11 no GB AAK75283 . "conserved domain protein [Streptococcus pneumoniae TIGR4]" . . . . . 100.00 819 97.10 98.55 2.96e-84 . . . . 18943 1 12 no GB AAK99711 . "Pneumococcal histidine triad protein D precursor [Streptococcus pneumoniae R6]" . . . . . 100.00 853 99.28 99.28 3.19e-86 . . . . 18943 1 13 no REF NP_358501 . "pneumococcal histidine triad protein D [Streptococcus pneumoniae R6]" . . . . . 100.00 853 99.28 99.28 3.19e-86 . . . . 18943 1 14 no REF WP_000279427 . "hypothetical protein [Streptococcus pneumoniae]" . . . . . 98.55 828 97.79 97.79 1.04e-82 . . . . 18943 1 15 no REF WP_000279428 . "hypothetical protein [Streptococcus pneumoniae]" . . . . . 100.00 808 97.10 98.55 2.62e-84 . . . . 18943 1 16 no REF WP_000700283 . "hypothetical protein [Streptococcus pneumoniae]" . . . . . 100.00 848 97.83 99.28 3.67e-85 . . . . 18943 1 17 no REF WP_000700284 . "hypothetical protein [Streptococcus pneumoniae]" . . . . . 100.00 821 97.83 99.28 2.35e-85 . . . . 18943 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 . GLY . 18943 1 2 30 GLY . 18943 1 3 31 GLN . 18943 1 4 32 VAL . 18943 1 5 33 LYS . 18943 1 6 34 LYS . 18943 1 7 35 GLU . 18943 1 8 36 SER . 18943 1 9 37 ASN . 18943 1 10 38 ARG . 18943 1 11 39 VAL . 18943 1 12 40 SER . 18943 1 13 41 TYR . 18943 1 14 42 ILE . 18943 1 15 43 ASP . 18943 1 16 44 GLY . 18943 1 17 45 ASP . 18943 1 18 46 GLN . 18943 1 19 47 ALA . 18943 1 20 48 GLY . 18943 1 21 49 GLN . 18943 1 22 50 LYS . 18943 1 23 51 ALA . 18943 1 24 52 GLU . 18943 1 25 53 ASN . 18943 1 26 54 LEU . 18943 1 27 55 THR . 18943 1 28 56 PRO . 18943 1 29 57 ASP . 18943 1 30 58 GLU . 18943 1 31 59 VAL . 18943 1 32 60 SER . 18943 1 33 61 LYS . 18943 1 34 62 ARG . 18943 1 35 63 GLU . 18943 1 36 64 GLY . 18943 1 37 65 ILE . 18943 1 38 66 ASN . 18943 1 39 67 ALA . 18943 1 40 68 GLU . 18943 1 41 69 GLN . 18943 1 42 70 ILE . 18943 1 43 71 VAL . 18943 1 44 72 ILE . 18943 1 45 73 LYS . 18943 1 46 74 ILE . 18943 1 47 75 THR . 18943 1 48 76 ASP . 18943 1 49 77 GLN . 18943 1 50 78 GLY . 18943 1 51 79 TYR . 18943 1 52 80 VAL . 18943 1 53 81 THR . 18943 1 54 82 SER . 18943 1 55 83 HIS . 18943 1 56 84 GLY . 18943 1 57 85 ASP . 18943 1 58 86 HIS . 18943 1 59 87 TYR . 18943 1 60 88 HIS . 18943 1 61 89 TYR . 18943 1 62 90 TYR . 18943 1 63 91 ASN . 18943 1 64 92 GLY . 18943 1 65 93 LYS . 18943 1 66 94 VAL . 18943 1 67 95 PRO . 18943 1 68 96 TYR . 18943 1 69 97 ASP . 18943 1 70 98 ALA . 18943 1 71 99 ILE . 18943 1 72 100 ILE . 18943 1 73 101 SER . 18943 1 74 102 GLU . 18943 1 75 103 GLU . 18943 1 76 104 LEU . 18943 1 77 105 LEU . 18943 1 78 106 MET . 18943 1 79 107 LYS . 18943 1 80 108 ASP . 18943 1 81 109 PRO . 18943 1 82 110 ASN . 18943 1 83 111 TYR . 18943 1 84 112 GLN . 18943 1 85 113 LEU . 18943 1 86 114 LYS . 18943 1 87 115 ASP . 18943 1 88 116 SER . 18943 1 89 117 ASP . 18943 1 90 118 ILE . 18943 1 91 119 VAL . 18943 1 92 120 ASN . 18943 1 93 121 GLU . 18943 1 94 122 ILE . 18943 1 95 123 LYS . 18943 1 96 124 GLY . 18943 1 97 125 GLY . 18943 1 98 126 TYR . 18943 1 99 127 VAL . 18943 1 100 128 ILE . 18943 1 101 129 LYS . 18943 1 102 130 VAL . 18943 1 103 131 ASP . 18943 1 104 132 GLY . 18943 1 105 133 LYS . 18943 1 106 134 TYR . 18943 1 107 135 TYR . 18943 1 108 136 VAL . 18943 1 109 137 TYR . 18943 1 110 138 LEU . 18943 1 111 139 LYS . 18943 1 112 140 ASP . 18943 1 113 141 ALA . 18943 1 114 142 ALA . 18943 1 115 143 HIS . 18943 1 116 144 ALA . 18943 1 117 145 ASP . 18943 1 118 146 ASN . 18943 1 119 147 ILE . 18943 1 120 148 ARG . 18943 1 121 149 THR . 18943 1 122 150 LYS . 18943 1 123 151 GLU . 18943 1 124 152 GLU . 18943 1 125 153 ILE . 18943 1 126 154 LYS . 18943 1 127 155 ARG . 18943 1 128 156 GLN . 18943 1 129 157 LYS . 18943 1 130 158 GLN . 18943 1 131 159 GLU . 18943 1 132 160 ARG . 18943 1 133 161 SER . 18943 1 134 162 HIS . 18943 1 135 163 ASN . 18943 1 136 164 HIS . 18943 1 137 165 ASN . 18943 1 138 166 SER . 18943 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 . GLY 1 1 18943 1 . GLY 2 2 18943 1 . GLN 3 3 18943 1 . VAL 4 4 18943 1 . LYS 5 5 18943 1 . LYS 6 6 18943 1 . GLU 7 7 18943 1 . SER 8 8 18943 1 . ASN 9 9 18943 1 . ARG 10 10 18943 1 . VAL 11 11 18943 1 . SER 12 12 18943 1 . TYR 13 13 18943 1 . ILE 14 14 18943 1 . ASP 15 15 18943 1 . GLY 16 16 18943 1 . ASP 17 17 18943 1 . GLN 18 18 18943 1 . ALA 19 19 18943 1 . GLY 20 20 18943 1 . GLN 21 21 18943 1 . LYS 22 22 18943 1 . ALA 23 23 18943 1 . GLU 24 24 18943 1 . ASN 25 25 18943 1 . LEU 26 26 18943 1 . THR 27 27 18943 1 . PRO 28 28 18943 1 . ASP 29 29 18943 1 . GLU 30 30 18943 1 . VAL 31 31 18943 1 . SER 32 32 18943 1 . LYS 33 33 18943 1 . ARG 34 34 18943 1 . GLU 35 35 18943 1 . GLY 36 36 18943 1 . ILE 37 37 18943 1 . ASN 38 38 18943 1 . ALA 39 39 18943 1 . GLU 40 40 18943 1 . GLN 41 41 18943 1 . ILE 42 42 18943 1 . VAL 43 43 18943 1 . ILE 44 44 18943 1 . LYS 45 45 18943 1 . ILE 46 46 18943 1 . THR 47 47 18943 1 . ASP 48 48 18943 1 . GLN 49 49 18943 1 . GLY 50 50 18943 1 . TYR 51 51 18943 1 . VAL 52 52 18943 1 . THR 53 53 18943 1 . SER 54 54 18943 1 . HIS 55 55 18943 1 . GLY 56 56 18943 1 . ASP 57 57 18943 1 . HIS 58 58 18943 1 . TYR 59 59 18943 1 . HIS 60 60 18943 1 . TYR 61 61 18943 1 . TYR 62 62 18943 1 . ASN 63 63 18943 1 . GLY 64 64 18943 1 . LYS 65 65 18943 1 . VAL 66 66 18943 1 . PRO 67 67 18943 1 . TYR 68 68 18943 1 . ASP 69 69 18943 1 . ALA 70 70 18943 1 . ILE 71 71 18943 1 . ILE 72 72 18943 1 . SER 73 73 18943 1 . GLU 74 74 18943 1 . GLU 75 75 18943 1 . LEU 76 76 18943 1 . LEU 77 77 18943 1 . MET 78 78 18943 1 . LYS 79 79 18943 1 . ASP 80 80 18943 1 . PRO 81 81 18943 1 . ASN 82 82 18943 1 . TYR 83 83 18943 1 . GLN 84 84 18943 1 . LEU 85 85 18943 1 . LYS 86 86 18943 1 . ASP 87 87 18943 1 . SER 88 88 18943 1 . ASP 89 89 18943 1 . ILE 90 90 18943 1 . VAL 91 91 18943 1 . ASN 92 92 18943 1 . GLU 93 93 18943 1 . ILE 94 94 18943 1 . LYS 95 95 18943 1 . GLY 96 96 18943 1 . GLY 97 97 18943 1 . TYR 98 98 18943 1 . VAL 99 99 18943 1 . ILE 100 100 18943 1 . LYS 101 101 18943 1 . VAL 102 102 18943 1 . ASP 103 103 18943 1 . GLY 104 104 18943 1 . LYS 105 105 18943 1 . TYR 106 106 18943 1 . TYR 107 107 18943 1 . VAL 108 108 18943 1 . TYR 109 109 18943 1 . LEU 110 110 18943 1 . LYS 111 111 18943 1 . ASP 112 112 18943 1 . ALA 113 113 18943 1 . ALA 114 114 18943 1 . HIS 115 115 18943 1 . ALA 116 116 18943 1 . ASP 117 117 18943 1 . ASN 118 118 18943 1 . ILE 119 119 18943 1 . ARG 120 120 18943 1 . THR 121 121 18943 1 . LYS 122 122 18943 1 . GLU 123 123 18943 1 . GLU 124 124 18943 1 . ILE 125 125 18943 1 . LYS 126 126 18943 1 . ARG 127 127 18943 1 . GLN 128 128 18943 1 . LYS 129 129 18943 1 . GLN 130 130 18943 1 . GLU 131 131 18943 1 . ARG 132 132 18943 1 . SER 133 133 18943 1 . HIS 134 134 18943 1 . ASN 135 135 18943 1 . HIS 136 136 18943 1 . ASN 137 137 18943 1 . SER 138 138 18943 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 18943 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _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 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 18943 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 18943 2 ZN 'Three letter code' 18943 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 18943 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 ZN ZN 18943 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 18943 _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 $PNEUMOCOCCAL_HISTIDINE_TRIAD_PROTEIN_D . 1313 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae D39 . . . . . . . . . . . . . . . . . . . . 18943 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 18943 _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 $PNEUMOCOCCAL_HISTIDINE_TRIAD_PROTEIN_D . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli . . . . . . BL21(DE3)RIL . . . . . . n/a . . pLIM09-t-phtD . . . 'pET-derived vector' . . 18943 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 18943 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 18943 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 18943 ZN [Zn++] SMILES CACTVS 3.341 18943 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 18943 ZN [Zn+2] SMILES ACDLabs 10.04 18943 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 18943 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 18943 ZN 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 zinc 'SYSTEMATIC NAME' ACDLabs 10.04 18943 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 18943 ZN 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 ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 18943 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18943 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'U15N-U13C-t-PhtD 0.8 mmol/l' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% water, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PNEUMOCOCCAL HISTIDINE TRIAD PROTEIN D' '[U-13C; U-15N]' . . 1 $PNEUMOCOCCAL_HISTIDINE_TRIAD_PROTEIN_D . . 0.8 . . mM . . . . 18943 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18943 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 't-PhtD 0.8 mmol/l' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PNEUMOCOCCAL HISTIDINE TRIAD PROTEIN D' 'natural abundance' . . 1 $PNEUMOCOCCAL_HISTIDINE_TRIAD_PROTEIN_D . . 0.8 . . mM . . . . 18943 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1_1 _Sample_condition_list.Entry_ID 18943 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.3], temp [308], pressure [0.0], ionStrength [0.0]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.0 . mM 18943 1 pH 6.300 . pH 18943 1 pressure 1 . atm 18943 1 temperature 308.000 . K 18943 1 stop_ save_ save_sample_conditions_1_1_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1_1_2 _Sample_condition_list.Entry_ID 18943 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'pH [6.3], temp [308], pressure [0.0], ionStrength [50.0]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50.000 . mM 18943 2 pH 6.300 . pH 18943 2 pressure 1 . atm 18943 2 temperature 308.000 . K 18943 2 stop_ save_ ############################ # Computer software used # ############################ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 18943 _Software.ID 1 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PBBe . . 18943 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18943 1 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18943 _Software.ID 2 _Software.Name CNS _Software.Version any _Software.Details 'REFINEMENT DETAILS CAN BE FOUND IN ENTRY CITATION' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Brunger . . 18943 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18943 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18943 _Software.ID 3 _Software.Name CYANA _Software.Version any _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18943 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18943 3 stop_ save_ save_UNIO10_ARIA _Method.Sf_category method _Method.Sf_framecode UNIO10_ARIA _Method.Entry_ID 18943 _Method.ID 1 _Method.Derivation_type . _Method.Details 'UNIO10, ARIA' _Method.Computer_ID . _Method.Computer_label . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_VNMRS800-800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_VNMRS800-800 _NMR_spectrometer.Entry_ID 18943 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS800 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18943 _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 Varian_VNMRS800-800 Varian VNMRS800 . 800 . . . 18943 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 18943 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 15N-HSQC no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1_1 . . . 1 $Varian_VNMRS800-800 . . . . . . . . . . . . . . . . 18943 1 2 13C-HSQC no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1_1 . . . 1 $Varian_VNMRS800-800 . . . . . . . . . . . . . . . . 18943 1 3 3D-15N-NOESY no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1_1 . . . 1 $Varian_VNMRS800-800 . . . . . . . . . . . . . . . . 18943 1 4 3D-13C-NOESY no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1_1 . . . 1 $Varian_VNMRS800-800 . . . . . . . . . . . . . . . . 18943 1 5 2D-NOESY no 1 $NMR_spectrometer_expt . . . . . . . . 2 $sample_2 solution . . 2 $sample_conditions_1_1_2 . . . 1 $Varian_VNMRS800-800 . . . . . . . . . . . . . . . . 18943 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18943 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _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 1 _NMR_spec_expt.NMR_spectrometer_label $Varian_VNMRS800-800 _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 1 _NMR_spec_expt.Method_label $UNIO10_ARIA _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_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18943 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449519 . . . . . . . . . 18943 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external indirect 1 . . . . . . . . . 18943 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.10132912 . . . . . . . . . 18943 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18943 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1_1_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details ; Origin nmrView file /data/people/bersch/Documents/PhtD/NMR/zn_phtd/ppm_structure.out Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/3zfj/ebi/zn_t_phtd_ccp2.str.csh ; _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 15N-HSQC 1 $sample_1 solution 18943 1 2 13C-HSQC 1 $sample_1 solution 18943 1 3 3D-15N-NOESY 1 $sample_1 solution 18943 1 4 3D-13C-NOESY 1 $sample_1 solution 18943 1 5 2D-NOESY 2 $sample_2 solution 18943 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 11 11 VAL C C 13 175.787 0.1 . 1 . 1 . . 39 VAL C . 18943 1 2 . 1 1 12 12 SER HA H 1 4.430 0.01 . 1 . 4 . . 40 SER HA . 18943 1 3 . 1 1 12 12 SER HB2 H 1 3.741 0.01 . 1 . 7 . . 40 SER HB2 . 18943 1 4 . 1 1 12 12 SER HB3 H 1 3.741 0.01 . 1 . 6 . . 40 SER HB3 . 18943 1 5 . 1 1 12 12 SER C C 13 173.843 0.1 . 1 . 8 . . 40 SER C . 18943 1 6 . 1 1 12 12 SER CA C 13 57.930 0.1 . 1 . 3 . . 40 SER CA . 18943 1 7 . 1 1 12 12 SER CB C 13 63.979 0.1 . 1 . 5 . . 40 SER CB . 18943 1 8 . 1 1 12 12 SER N N 15 119.006 0.1 . 1 . 2 . . 40 SER N . 18943 1 9 . 1 1 13 13 TYR H H 1 8.086 0.01 . 1 . 10 . . 41 TYR H . 18943 1 10 . 1 1 13 13 TYR HA H 1 4.536 0.01 . 1 . 12 . . 41 TYR HA . 18943 1 11 . 1 1 13 13 TYR HB2 H 1 2.842 0.01 . 2 . 15 . . 41 TYR HB2 . 18943 1 12 . 1 1 13 13 TYR HB3 H 1 2.940 0.01 . 2 . 14 . . 41 TYR HB3 . 18943 1 13 . 1 1 13 13 TYR HD1 H 1 6.987 0.01 . 3 . 22 . . 41 TYR HD1 . 18943 1 14 . 1 1 13 13 TYR HD2 H 1 6.987 0.01 . 3 . 23 . . 41 TYR HD2 . 18943 1 15 . 1 1 13 13 TYR HE1 H 1 6.739 0.01 . 3 . 18 . . 41 TYR HE1 . 18943 1 16 . 1 1 13 13 TYR HE2 H 1 6.739 0.01 . 3 . 19 . . 41 TYR HE2 . 18943 1 17 . 1 1 13 13 TYR C C 13 175.378 0.1 . 1 . 24 . . 41 TYR C . 18943 1 18 . 1 1 13 13 TYR CA C 13 57.816 0.1 . 1 . 11 . . 41 TYR CA . 18943 1 19 . 1 1 13 13 TYR CB C 13 38.858 0.1 . 1 . 13 . . 41 TYR CB . 18943 1 20 . 1 1 13 13 TYR CD1 C 13 133.473 0.1 . 3 . 20 . . 41 TYR CD1 . 18943 1 21 . 1 1 13 13 TYR CD2 C 13 133.473 0.1 . 3 . 21 . . 41 TYR CD2 . 18943 1 22 . 1 1 13 13 TYR CE1 C 13 118.730 0.1 . 3 . 16 . . 41 TYR CE1 . 18943 1 23 . 1 1 13 13 TYR CE2 C 13 118.730 0.1 . 3 . 17 . . 41 TYR CE2 . 18943 1 24 . 1 1 13 13 TYR N N 15 122.233 0.1 . 1 . 9 . . 41 TYR N . 18943 1 25 . 1 1 14 14 ILE H H 1 7.899 0.01 . 1 . 26 . . 42 ILE H . 18943 1 26 . 1 1 14 14 ILE HA H 1 4.083 0.01 . 1 . 28 . . 42 ILE HA . 18943 1 27 . 1 1 14 14 ILE HB H 1 1.724 0.01 . 1 . 30 . . 42 ILE HB . 18943 1 28 . 1 1 14 14 ILE HG12 H 1 1.056 0.01 . 2 . 33 . . 42 ILE HG12 . 18943 1 29 . 1 1 14 14 ILE HG13 H 1 1.362 0.01 . 2 . 32 . . 42 ILE HG13 . 18943 1 30 . 1 1 14 14 ILE HG21 H 1 0.776 0.01 . 1 . 37 . . 42 ILE HG21 . 18943 1 31 . 1 1 14 14 ILE HG22 H 1 0.776 0.01 . 1 . 37 . . 42 ILE HG22 . 18943 1 32 . 1 1 14 14 ILE HG23 H 1 0.776 0.01 . 1 . 37 . . 42 ILE HG23 . 18943 1 33 . 1 1 14 14 ILE HD11 H 1 0.757 0.01 . 1 . 35 . . 42 ILE HD11 . 18943 1 34 . 1 1 14 14 ILE HD12 H 1 0.757 0.01 . 1 . 35 . . 42 ILE HD12 . 18943 1 35 . 1 1 14 14 ILE HD13 H 1 0.757 0.01 . 1 . 35 . . 42 ILE HD13 . 18943 1 36 . 1 1 14 14 ILE C C 13 175.367 0.1 . 1 . 38 . . 42 ILE C . 18943 1 37 . 1 1 14 14 ILE CA C 13 60.946 0.1 . 1 . 27 . . 42 ILE CA . 18943 1 38 . 1 1 14 14 ILE CB C 13 38.991 0.1 . 1 . 29 . . 42 ILE CB . 18943 1 39 . 1 1 14 14 ILE CG1 C 13 27.094 0.1 . 1 . 31 . . 42 ILE CG1 . 18943 1 40 . 1 1 14 14 ILE CG2 C 13 17.418 0.1 . 1 . 36 . . 42 ILE CG2 . 18943 1 41 . 1 1 14 14 ILE CD1 C 13 12.995 0.1 . 1 . 34 . . 42 ILE CD1 . 18943 1 42 . 1 1 14 14 ILE N N 15 121.440 0.1 . 1 . 25 . . 42 ILE N . 18943 1 43 . 1 1 15 15 ASP H H 1 8.107 0.01 . 1 . 40 . . 43 ASP H . 18943 1 44 . 1 1 15 15 ASP HA H 1 4.499 0.01 . 1 . 42 . . 43 ASP HA . 18943 1 45 . 1 1 15 15 ASP HB2 H 1 2.575 0.01 . 2 . 45 . . 43 ASP HB2 . 18943 1 46 . 1 1 15 15 ASP HB3 H 1 2.639 0.01 . 2 . 44 . . 43 ASP HB3 . 18943 1 47 . 1 1 15 15 ASP C C 13 176.505 0.1 . 1 . 46 . . 43 ASP C . 18943 1 48 . 1 1 15 15 ASP CA C 13 54.423 0.1 . 1 . 41 . . 43 ASP CA . 18943 1 49 . 1 1 15 15 ASP CB C 13 41.412 0.1 . 1 . 43 . . 43 ASP CB . 18943 1 50 . 1 1 15 15 ASP N N 15 123.608 0.1 . 1 . 39 . . 43 ASP N . 18943 1 51 . 1 1 16 16 GLY H H 1 8.124 0.01 . 1 . 48 . . 44 GLY H . 18943 1 52 . 1 1 16 16 GLY HA2 H 1 3.808 0.01 . 2 . 51 . . 44 GLY HA2 . 18943 1 53 . 1 1 16 16 GLY HA3 H 1 3.887 0.01 . 2 . 50 . . 44 GLY HA3 . 18943 1 54 . 1 1 16 16 GLY C C 13 174.076 0.1 . 1 . 52 . . 44 GLY C . 18943 1 55 . 1 1 16 16 GLY CA C 13 45.542 0.1 . 1 . 49 . . 44 GLY CA . 18943 1 56 . 1 1 16 16 GLY N N 15 109.194 0.1 . 1 . 47 . . 44 GLY N . 18943 1 57 . 1 1 17 17 ASP H H 1 8.156 0.01 . 1 . 54 . . 45 ASP H . 18943 1 58 . 1 1 17 17 ASP HA H 1 4.505 0.01 . 1 . 56 . . 45 ASP HA . 18943 1 59 . 1 1 17 17 ASP HB2 H 1 2.586 0.01 . 2 . 59 . . 45 ASP HB2 . 18943 1 60 . 1 1 17 17 ASP HB3 H 1 2.617 0.01 . 2 . 58 . . 45 ASP HB3 . 18943 1 61 . 1 1 17 17 ASP C C 13 176.602 0.1 . 1 . 60 . . 45 ASP C . 18943 1 62 . 1 1 17 17 ASP CA C 13 54.599 0.1 . 1 . 55 . . 45 ASP CA . 18943 1 63 . 1 1 17 17 ASP CB C 13 41.154 0.1 . 1 . 57 . . 45 ASP CB . 18943 1 64 . 1 1 17 17 ASP N N 15 120.349 0.1 . 1 . 53 . . 45 ASP N . 18943 1 65 . 1 1 18 18 GLN H H 1 8.191 0.01 . 1 . 62 . . 46 GLN H . 18943 1 66 . 1 1 18 18 GLN HA H 1 4.121 0.01 . 1 . 64 . . 46 GLN HA . 18943 1 67 . 1 1 18 18 GLN HB2 H 1 1.861 0.01 . 2 . 67 . . 46 GLN HB2 . 18943 1 68 . 1 1 18 18 GLN HB3 H 1 2.025 0.01 . 2 . 66 . . 46 GLN HB3 . 18943 1 69 . 1 1 18 18 GLN HG2 H 1 2.202 0.01 . 1 . 70 . . 46 GLN HG2 . 18943 1 70 . 1 1 18 18 GLN HG3 H 1 2.202 0.01 . 1 . 69 . . 46 GLN HG3 . 18943 1 71 . 1 1 18 18 GLN C C 13 175.938 0.1 . 1 . 71 . . 46 GLN C . 18943 1 72 . 1 1 18 18 GLN CA C 13 56.145 0.1 . 1 . 63 . . 46 GLN CA . 18943 1 73 . 1 1 18 18 GLN CB C 13 28.894 0.1 . 1 . 65 . . 46 GLN CB . 18943 1 74 . 1 1 18 18 GLN CG C 13 33.735 0.1 . 1 . 68 . . 46 GLN CG . 18943 1 75 . 1 1 18 18 GLN N N 15 120.075 0.1 . 1 . 61 . . 46 GLN N . 18943 1 76 . 1 1 19 19 ALA H H 1 8.091 0.01 . 1 . 73 . . 47 ALA H . 18943 1 77 . 1 1 19 19 ALA HA H 1 4.132 0.01 . 1 . 75 . . 47 ALA HA . 18943 1 78 . 1 1 19 19 ALA HB1 H 1 1.282 0.01 . 1 . 77 . . 47 ALA HB1 . 18943 1 79 . 1 1 19 19 ALA HB2 H 1 1.282 0.01 . 1 . 77 . . 47 ALA HB2 . 18943 1 80 . 1 1 19 19 ALA HB3 H 1 1.282 0.01 . 1 . 77 . . 47 ALA HB3 . 18943 1 81 . 1 1 19 19 ALA C C 13 178.142 0.1 . 1 . 78 . . 47 ALA C . 18943 1 82 . 1 1 19 19 ALA CA C 13 52.933 0.1 . 1 . 74 . . 47 ALA CA . 18943 1 83 . 1 1 19 19 ALA CB C 13 18.882 0.1 . 1 . 76 . . 47 ALA CB . 18943 1 84 . 1 1 19 19 ALA N N 15 123.517 0.1 . 1 . 72 . . 47 ALA N . 18943 1 85 . 1 1 20 20 GLY H H 1 8.104 0.01 . 1 . 80 . . 48 GLY H . 18943 1 86 . 1 1 20 20 GLY HA2 H 1 3.765 0.01 . 1 . 83 . . 48 GLY HA2 . 18943 1 87 . 1 1 20 20 GLY HA3 H 1 3.765 0.01 . 1 . 82 . . 48 GLY HA3 . 18943 1 88 . 1 1 20 20 GLY C C 13 173.896 0.1 . 1 . 84 . . 48 GLY C . 18943 1 89 . 1 1 20 20 GLY CA C 13 45.329 0.1 . 1 . 81 . . 48 GLY CA . 18943 1 90 . 1 1 20 20 GLY N N 15 107.182 0.1 . 1 . 79 . . 48 GLY N . 18943 1 91 . 1 1 21 21 GLN H H 1 7.687 0.01 . 1 . 86 . . 49 GLN H . 18943 1 92 . 1 1 21 21 GLN HA H 1 4.153 0.01 . 1 . 88 . . 49 GLN HA . 18943 1 93 . 1 1 21 21 GLN HB2 H 1 1.712 0.01 . 2 . 91 . . 49 GLN HB2 . 18943 1 94 . 1 1 21 21 GLN HB3 H 1 1.782 0.01 . 2 . 90 . . 49 GLN HB3 . 18943 1 95 . 1 1 21 21 GLN HG2 H 1 2.100 0.01 . 1 . 94 . . 49 GLN HG2 . 18943 1 96 . 1 1 21 21 GLN HG3 H 1 2.100 0.01 . 1 . 93 . . 49 GLN HG3 . 18943 1 97 . 1 1 21 21 GLN C C 13 175.198 0.1 . 1 . 95 . . 49 GLN C . 18943 1 98 . 1 1 21 21 GLN CA C 13 55.452 0.1 . 1 . 87 . . 49 GLN CA . 18943 1 99 . 1 1 21 21 GLN CB C 13 29.476 0.1 . 1 . 89 . . 49 GLN CB . 18943 1 100 . 1 1 21 21 GLN CG C 13 33.681 0.1 . 1 . 92 . . 49 GLN CG . 18943 1 101 . 1 1 21 21 GLN N N 15 119.424 0.1 . 1 . 85 . . 49 GLN N . 18943 1 102 . 1 1 22 22 LYS H H 1 8.177 0.01 . 1 . 97 . . 50 LYS H . 18943 1 103 . 1 1 22 22 LYS HA H 1 4.243 0.01 . 1 . 99 . . 50 LYS HA . 18943 1 104 . 1 1 22 22 LYS HB2 H 1 1.685 0.01 . 2 . 102 . . 50 LYS HB2 . 18943 1 105 . 1 1 22 22 LYS HB3 H 1 1.771 0.01 . 2 . 101 . . 50 LYS HB3 . 18943 1 106 . 1 1 22 22 LYS HG2 H 1 1.398 0.01 . 1 . 105 . . 50 LYS HG2 . 18943 1 107 . 1 1 22 22 LYS HG3 H 1 1.398 0.01 . 1 . 104 . . 50 LYS HG3 . 18943 1 108 . 1 1 22 22 LYS HD2 H 1 1.638 0.01 . 1 . 108 . . 50 LYS HD2 . 18943 1 109 . 1 1 22 22 LYS HD3 H 1 1.638 0.01 . 1 . 107 . . 50 LYS HD3 . 18943 1 110 . 1 1 22 22 LYS HE2 H 1 2.972 0.01 . 1 . 111 . . 50 LYS HE2 . 18943 1 111 . 1 1 22 22 LYS HE3 H 1 2.972 0.01 . 1 . 110 . . 50 LYS HE3 . 18943 1 112 . 1 1 22 22 LYS C C 13 175.923 0.1 . 1 . 112 . . 50 LYS C . 18943 1 113 . 1 1 22 22 LYS CA C 13 55.922 0.1 . 1 . 98 . . 50 LYS CA . 18943 1 114 . 1 1 22 22 LYS CB C 13 33.098 0.1 . 1 . 100 . . 50 LYS CB . 18943 1 115 . 1 1 22 22 LYS CG C 13 24.566 0.1 . 1 . 103 . . 50 LYS CG . 18943 1 116 . 1 1 22 22 LYS CD C 13 29.312 0.1 . 1 . 106 . . 50 LYS CD . 18943 1 117 . 1 1 22 22 LYS CE C 13 42.136 0.1 . 1 . 109 . . 50 LYS CE . 18943 1 118 . 1 1 22 22 LYS N N 15 122.844 0.1 . 1 . 96 . . 50 LYS N . 18943 1 119 . 1 1 23 23 ALA H H 1 8.365 0.01 . 1 . 114 . . 51 ALA H . 18943 1 120 . 1 1 23 23 ALA HA H 1 4.350 0.01 . 1 . 116 . . 51 ALA HA . 18943 1 121 . 1 1 23 23 ALA HB1 H 1 1.234 0.01 . 1 . 118 . . 51 ALA HB1 . 18943 1 122 . 1 1 23 23 ALA HB2 H 1 1.234 0.01 . 1 . 118 . . 51 ALA HB2 . 18943 1 123 . 1 1 23 23 ALA HB3 H 1 1.234 0.01 . 1 . 118 . . 51 ALA HB3 . 18943 1 124 . 1 1 23 23 ALA C C 13 178.399 0.1 . 1 . 119 . . 51 ALA C . 18943 1 125 . 1 1 23 23 ALA CA C 13 51.802 0.1 . 1 . 115 . . 51 ALA CA . 18943 1 126 . 1 1 23 23 ALA CB C 13 19.383 0.1 . 1 . 117 . . 51 ALA CB . 18943 1 127 . 1 1 23 23 ALA N N 15 126.177 0.1 . 1 . 113 . . 51 ALA N . 18943 1 128 . 1 1 24 24 GLU H H 1 8.571 0.01 . 1 . 121 . . 52 GLU H . 18943 1 129 . 1 1 24 24 GLU HA H 1 4.256 0.01 . 1 . 123 . . 52 GLU HA . 18943 1 130 . 1 1 24 24 GLU HB2 H 1 1.704 0.01 . 1 . 126 . . 52 GLU HB2 . 18943 1 131 . 1 1 24 24 GLU HB3 H 1 1.704 0.01 . 1 . 125 . . 52 GLU HB3 . 18943 1 132 . 1 1 24 24 GLU HG2 H 1 2.340 0.01 . 2 . 129 . . 52 GLU HG2 . 18943 1 133 . 1 1 24 24 GLU HG3 H 1 1.940 0.01 . 2 . 128 . . 52 GLU HG3 . 18943 1 134 . 1 1 24 24 GLU C C 13 176.846 0.1 . 1 . 130 . . 52 GLU C . 18943 1 135 . 1 1 24 24 GLU CA C 13 55.764 0.1 . 1 . 122 . . 52 GLU CA . 18943 1 136 . 1 1 24 24 GLU CB C 13 29.823 0.1 . 1 . 124 . . 52 GLU CB . 18943 1 137 . 1 1 24 24 GLU CG C 13 34.941 0.1 . 1 . 127 . . 52 GLU CG . 18943 1 138 . 1 1 24 24 GLU N N 15 119.744 0.1 . 1 . 120 . . 52 GLU N . 18943 1 139 . 1 1 25 25 ASN H H 1 8.839 0.01 . 1 . 132 . . 53 ASN H . 18943 1 140 . 1 1 25 25 ASN HA H 1 4.879 0.01 . 1 . 134 . . 53 ASN HA . 18943 1 141 . 1 1 25 25 ASN HB2 H 1 2.795 0.01 . 2 . 137 . . 53 ASN HB2 . 18943 1 142 . 1 1 25 25 ASN HB3 H 1 2.843 0.01 . 2 . 136 . . 53 ASN HB3 . 18943 1 143 . 1 1 25 25 ASN C C 13 174.684 0.1 . 1 . 138 . . 53 ASN C . 18943 1 144 . 1 1 25 25 ASN CA C 13 53.357 0.1 . 1 . 133 . . 53 ASN CA . 18943 1 145 . 1 1 25 25 ASN CB C 13 39.223 0.1 . 1 . 135 . . 53 ASN CB . 18943 1 146 . 1 1 25 25 ASN N N 15 119.343 0.1 . 1 . 131 . . 53 ASN N . 18943 1 147 . 1 1 26 26 LEU H H 1 7.507 0.01 . 1 . 140 . . 54 LEU H . 18943 1 148 . 1 1 26 26 LEU HA H 1 4.721 0.01 . 1 . 142 . . 54 LEU HA . 18943 1 149 . 1 1 26 26 LEU HB2 H 1 1.688 0.01 . 1 . 145 . . 54 LEU HB2 . 18943 1 150 . 1 1 26 26 LEU HB3 H 1 1.688 0.01 . 1 . 144 . . 54 LEU HB3 . 18943 1 151 . 1 1 26 26 LEU HG H 1 1.695 0.01 . 1 . 147 . . 54 LEU HG . 18943 1 152 . 1 1 26 26 LEU HD11 H 1 0.878 0.01 . 2 . 149 . . 54 LEU HD11 . 18943 1 153 . 1 1 26 26 LEU HD12 H 1 0.878 0.01 . 2 . 149 . . 54 LEU HD12 . 18943 1 154 . 1 1 26 26 LEU HD13 H 1 0.878 0.01 . 2 . 149 . . 54 LEU HD13 . 18943 1 155 . 1 1 26 26 LEU HD21 H 1 0.831 0.01 . 2 . 151 . . 54 LEU HD21 . 18943 1 156 . 1 1 26 26 LEU HD22 H 1 0.831 0.01 . 2 . 151 . . 54 LEU HD22 . 18943 1 157 . 1 1 26 26 LEU HD23 H 1 0.831 0.01 . 2 . 151 . . 54 LEU HD23 . 18943 1 158 . 1 1 26 26 LEU C C 13 176.999 0.1 . 1 . 152 . . 54 LEU C . 18943 1 159 . 1 1 26 26 LEU CA C 13 53.724 0.1 . 1 . 141 . . 54 LEU CA . 18943 1 160 . 1 1 26 26 LEU CB C 13 44.901 0.1 . 1 . 143 . . 54 LEU CB . 18943 1 161 . 1 1 26 26 LEU CG C 13 26.939 0.1 . 1 . 146 . . 54 LEU CG . 18943 1 162 . 1 1 26 26 LEU CD1 C 13 22.618 0.1 . 2 . 148 . . 54 LEU CD1 . 18943 1 163 . 1 1 26 26 LEU CD2 C 13 25.568 0.1 . 2 . 150 . . 54 LEU CD2 . 18943 1 164 . 1 1 26 26 LEU N N 15 120.659 0.1 . 1 . 139 . . 54 LEU N . 18943 1 165 . 1 1 27 27 THR H H 1 8.219 0.01 . 1 . 154 . . 55 THR H . 18943 1 166 . 1 1 27 27 THR HA H 1 4.491 0.01 . 1 . 156 . . 55 THR HA . 18943 1 167 . 1 1 27 27 THR HB H 1 4.578 0.01 . 1 . 158 . . 55 THR HB . 18943 1 168 . 1 1 27 27 THR HG21 H 1 1.385 0.01 . 1 . 160 . . 55 THR HG21 . 18943 1 169 . 1 1 27 27 THR HG22 H 1 1.385 0.01 . 1 . 160 . . 55 THR HG22 . 18943 1 170 . 1 1 27 27 THR HG23 H 1 1.385 0.01 . 1 . 160 . . 55 THR HG23 . 18943 1 171 . 1 1 27 27 THR CA C 13 60.426 0.1 . 1 . 155 . . 55 THR CA . 18943 1 172 . 1 1 27 27 THR CB C 13 68.259 0.1 . 1 . 157 . . 55 THR CB . 18943 1 173 . 1 1 27 27 THR CG2 C 13 22.366 0.1 . 1 . 159 . . 55 THR CG2 . 18943 1 174 . 1 1 27 27 THR N N 15 110.667 0.1 . 1 . 153 . . 55 THR N . 18943 1 175 . 1 1 28 28 PRO HA H 1 4.244 0.01 . 1 . 162 . . 56 PRO HA . 18943 1 176 . 1 1 28 28 PRO HB2 H 1 1.531 0.01 . 2 . 165 . . 56 PRO HB2 . 18943 1 177 . 1 1 28 28 PRO HB3 H 1 1.707 0.01 . 2 . 164 . . 56 PRO HB3 . 18943 1 178 . 1 1 28 28 PRO HG2 H 1 0.650 0.01 . 2 . 168 . . 56 PRO HG2 . 18943 1 179 . 1 1 28 28 PRO HG3 H 1 1.706 0.01 . 2 . 167 . . 56 PRO HG3 . 18943 1 180 . 1 1 28 28 PRO HD2 H 1 3.173 0.01 . 2 . 171 . . 56 PRO HD2 . 18943 1 181 . 1 1 28 28 PRO HD3 H 1 3.625 0.01 . 2 . 170 . . 56 PRO HD3 . 18943 1 182 . 1 1 28 28 PRO C C 13 178.625 0.1 . 1 . 172 . . 56 PRO C . 18943 1 183 . 1 1 28 28 PRO CA C 13 65.684 0.1 . 1 . 161 . . 56 PRO CA . 18943 1 184 . 1 1 28 28 PRO CB C 13 30.736 0.1 . 1 . 163 . . 56 PRO CB . 18943 1 185 . 1 1 28 28 PRO CG C 13 27.196 0.1 . 1 . 166 . . 56 PRO CG . 18943 1 186 . 1 1 28 28 PRO CD C 13 49.851 0.1 . 1 . 169 . . 56 PRO CD . 18943 1 187 . 1 1 29 29 ASP H H 1 8.191 0.01 . 1 . 174 . . 57 ASP H . 18943 1 188 . 1 1 29 29 ASP HA H 1 4.242 0.01 . 1 . 176 . . 57 ASP HA . 18943 1 189 . 1 1 29 29 ASP HB2 H 1 2.549 0.01 . 1 . 179 . . 57 ASP HB2 . 18943 1 190 . 1 1 29 29 ASP HB3 H 1 2.549 0.01 . 1 . 178 . . 57 ASP HB3 . 18943 1 191 . 1 1 29 29 ASP C C 13 178.775 0.1 . 1 . 180 . . 57 ASP C . 18943 1 192 . 1 1 29 29 ASP CA C 13 57.180 0.1 . 1 . 175 . . 57 ASP CA . 18943 1 193 . 1 1 29 29 ASP CB C 13 40.670 0.1 . 1 . 177 . . 57 ASP CB . 18943 1 194 . 1 1 29 29 ASP N N 15 113.999 0.1 . 1 . 173 . . 57 ASP N . 18943 1 195 . 1 1 30 30 GLU H H 1 7.520 0.01 . 1 . 182 . . 58 GLU H . 18943 1 196 . 1 1 30 30 GLU HA H 1 3.976 0.01 . 1 . 184 . . 58 GLU HA . 18943 1 197 . 1 1 30 30 GLU HB2 H 1 2.018 0.01 . 2 . 187 . . 58 GLU HB2 . 18943 1 198 . 1 1 30 30 GLU HB3 H 1 2.340 0.01 . 2 . 186 . . 58 GLU HB3 . 18943 1 199 . 1 1 30 30 GLU HG2 H 1 2.260 0.01 . 2 . 190 . . 58 GLU HG2 . 18943 1 200 . 1 1 30 30 GLU HG3 H 1 2.335 0.01 . 2 . 189 . . 58 GLU HG3 . 18943 1 201 . 1 1 30 30 GLU C C 13 179.404 0.1 . 1 . 191 . . 58 GLU C . 18943 1 202 . 1 1 30 30 GLU CA C 13 59.125 0.1 . 1 . 183 . . 58 GLU CA . 18943 1 203 . 1 1 30 30 GLU CB C 13 30.520 0.1 . 1 . 185 . . 58 GLU CB . 18943 1 204 . 1 1 30 30 GLU CG C 13 37.084 0.1 . 1 . 188 . . 58 GLU CG . 18943 1 205 . 1 1 30 30 GLU N N 15 120.365 0.1 . 1 . 181 . . 58 GLU N . 18943 1 206 . 1 1 31 31 VAL H H 1 8.252 0.01 . 1 . 193 . . 59 VAL H . 18943 1 207 . 1 1 31 31 VAL HA H 1 3.414 0.01 . 1 . 195 . . 59 VAL HA . 18943 1 208 . 1 1 31 31 VAL HB H 1 1.906 0.01 . 1 . 197 . . 59 VAL HB . 18943 1 209 . 1 1 31 31 VAL HG11 H 1 0.087 0.01 . 2 . 201 . . 59 VAL HG11 . 18943 1 210 . 1 1 31 31 VAL HG12 H 1 0.087 0.01 . 2 . 201 . . 59 VAL HG12 . 18943 1 211 . 1 1 31 31 VAL HG13 H 1 0.087 0.01 . 2 . 201 . . 59 VAL HG13 . 18943 1 212 . 1 1 31 31 VAL HG21 H 1 0.931 0.01 . 2 . 199 . . 59 VAL HG21 . 18943 1 213 . 1 1 31 31 VAL HG22 H 1 0.931 0.01 . 2 . 199 . . 59 VAL HG22 . 18943 1 214 . 1 1 31 31 VAL HG23 H 1 0.931 0.01 . 2 . 199 . . 59 VAL HG23 . 18943 1 215 . 1 1 31 31 VAL C C 13 178.341 0.1 . 1 . 202 . . 59 VAL C . 18943 1 216 . 1 1 31 31 VAL CA C 13 66.990 0.1 . 1 . 194 . . 59 VAL CA . 18943 1 217 . 1 1 31 31 VAL CB C 13 31.687 0.1 . 1 . 196 . . 59 VAL CB . 18943 1 218 . 1 1 31 31 VAL CG1 C 13 20.118 0.1 . 2 . 200 . . 59 VAL CG1 . 18943 1 219 . 1 1 31 31 VAL CG2 C 13 23.813 0.1 . 2 . 198 . . 59 VAL CG2 . 18943 1 220 . 1 1 31 31 VAL N N 15 122.213 0.1 . 1 . 192 . . 59 VAL N . 18943 1 221 . 1 1 32 32 SER H H 1 8.448 0.01 . 1 . 204 . . 60 SER H . 18943 1 222 . 1 1 32 32 SER HA H 1 4.154 0.01 . 1 . 206 . . 60 SER HA . 18943 1 223 . 1 1 32 32 SER HB2 H 1 4.028 0.01 . 2 . 209 . . 60 SER HB2 . 18943 1 224 . 1 1 32 32 SER HB3 H 1 4.093 0.01 . 2 . 208 . . 60 SER HB3 . 18943 1 225 . 1 1 32 32 SER C C 13 177.452 0.1 . 1 . 210 . . 60 SER C . 18943 1 226 . 1 1 32 32 SER CA C 13 62.845 0.1 . 1 . 205 . . 60 SER CA . 18943 1 227 . 1 1 32 32 SER CB C 13 62.872 0.1 . 1 . 207 . . 60 SER CB . 18943 1 228 . 1 1 32 32 SER N N 15 114.838 0.1 . 1 . 203 . . 60 SER N . 18943 1 229 . 1 1 33 33 LYS H H 1 7.946 0.01 . 1 . 212 . . 61 LYS H . 18943 1 230 . 1 1 33 33 LYS HA H 1 4.049 0.01 . 1 . 214 . . 61 LYS HA . 18943 1 231 . 1 1 33 33 LYS HB2 H 1 1.880 0.01 . 1 . 217 . . 61 LYS HB2 . 18943 1 232 . 1 1 33 33 LYS HB3 H 1 1.880 0.01 . 1 . 216 . . 61 LYS HB3 . 18943 1 233 . 1 1 33 33 LYS HG2 H 1 1.416 0.01 . 2 . 220 . . 61 LYS HG2 . 18943 1 234 . 1 1 33 33 LYS HG3 H 1 1.542 0.01 . 2 . 219 . . 61 LYS HG3 . 18943 1 235 . 1 1 33 33 LYS HD2 H 1 1.637 0.01 . 1 . 223 . . 61 LYS HD2 . 18943 1 236 . 1 1 33 33 LYS HD3 H 1 1.637 0.01 . 1 . 222 . . 61 LYS HD3 . 18943 1 237 . 1 1 33 33 LYS C C 13 178.620 0.1 . 1 . 224 . . 61 LYS C . 18943 1 238 . 1 1 33 33 LYS CA C 13 59.235 0.1 . 1 . 213 . . 61 LYS CA . 18943 1 239 . 1 1 33 33 LYS CB C 13 32.597 0.1 . 1 . 215 . . 61 LYS CB . 18943 1 240 . 1 1 33 33 LYS CG C 13 25.202 0.1 . 1 . 218 . . 61 LYS CG . 18943 1 241 . 1 1 33 33 LYS CD C 13 29.042 0.1 . 1 . 221 . . 61 LYS CD . 18943 1 242 . 1 1 33 33 LYS N N 15 122.429 0.1 . 1 . 211 . . 61 LYS N . 18943 1 243 . 1 1 34 34 ARG H H 1 8.030 0.01 . 1 . 226 . . 62 ARG H . 18943 1 244 . 1 1 34 34 ARG HA H 1 4.086 0.01 . 1 . 228 . . 62 ARG HA . 18943 1 245 . 1 1 34 34 ARG HB2 H 1 1.927 0.01 . 1 . 231 . . 62 ARG HB2 . 18943 1 246 . 1 1 34 34 ARG HB3 H 1 1.927 0.01 . 1 . 230 . . 62 ARG HB3 . 18943 1 247 . 1 1 34 34 ARG HG2 H 1 1.712 0.01 . 2 . 234 . . 62 ARG HG2 . 18943 1 248 . 1 1 34 34 ARG HG3 H 1 1.793 0.01 . 2 . 233 . . 62 ARG HG3 . 18943 1 249 . 1 1 34 34 ARG HD2 H 1 3.107 0.01 . 2 . 237 . . 62 ARG HD2 . 18943 1 250 . 1 1 34 34 ARG HD3 H 1 3.142 0.01 . 2 . 236 . . 62 ARG HD3 . 18943 1 251 . 1 1 34 34 ARG C C 13 178.591 0.1 . 1 . 238 . . 62 ARG C . 18943 1 252 . 1 1 34 34 ARG CA C 13 58.688 0.1 . 1 . 227 . . 62 ARG CA . 18943 1 253 . 1 1 34 34 ARG CB C 13 30.264 0.1 . 1 . 229 . . 62 ARG CB . 18943 1 254 . 1 1 34 34 ARG CG C 13 27.362 0.1 . 1 . 232 . . 62 ARG CG . 18943 1 255 . 1 1 34 34 ARG CD C 13 43.749 0.1 . 1 . 235 . . 62 ARG CD . 18943 1 256 . 1 1 34 34 ARG N N 15 118.487 0.1 . 1 . 225 . . 62 ARG N . 18943 1 257 . 1 1 35 35 GLU H H 1 7.975 0.01 . 1 . 240 . . 63 GLU H . 18943 1 258 . 1 1 35 35 GLU HA H 1 4.186 0.01 . 1 . 242 . . 63 GLU HA . 18943 1 259 . 1 1 35 35 GLU HB2 H 1 2.131 0.01 . 2 . 245 . . 63 GLU HB2 . 18943 1 260 . 1 1 35 35 GLU HB3 H 1 2.374 0.01 . 2 . 244 . . 63 GLU HB3 . 18943 1 261 . 1 1 35 35 GLU HG2 H 1 2.338 0.01 . 2 . 248 . . 63 GLU HG2 . 18943 1 262 . 1 1 35 35 GLU HG3 H 1 2.861 0.01 . 2 . 247 . . 63 GLU HG3 . 18943 1 263 . 1 1 35 35 GLU C C 13 178.624 0.1 . 1 . 249 . . 63 GLU C . 18943 1 264 . 1 1 35 35 GLU CA C 13 58.080 0.1 . 1 . 241 . . 63 GLU CA . 18943 1 265 . 1 1 35 35 GLU CB C 13 30.957 0.1 . 1 . 243 . . 63 GLU CB . 18943 1 266 . 1 1 35 35 GLU CG C 13 36.125 0.1 . 1 . 246 . . 63 GLU CG . 18943 1 267 . 1 1 35 35 GLU N N 15 115.929 0.1 . 1 . 239 . . 63 GLU N . 18943 1 268 . 1 1 36 36 GLY H H 1 7.908 0.01 . 1 . 251 . . 64 GLY H . 18943 1 269 . 1 1 36 36 GLY HA2 H 1 3.891 0.01 . 2 . 254 . . 64 GLY HA2 . 18943 1 270 . 1 1 36 36 GLY HA3 H 1 3.978 0.01 . 2 . 253 . . 64 GLY HA3 . 18943 1 271 . 1 1 36 36 GLY C C 13 174.492 0.1 . 1 . 255 . . 64 GLY C . 18943 1 272 . 1 1 36 36 GLY CA C 13 47.092 0.1 . 1 . 252 . . 64 GLY CA . 18943 1 273 . 1 1 36 36 GLY N N 15 105.036 0.1 . 1 . 250 . . 64 GLY N . 18943 1 274 . 1 1 37 37 ILE H H 1 7.627 0.01 . 1 . 257 . . 65 ILE H . 18943 1 275 . 1 1 37 37 ILE HA H 1 4.505 0.01 . 1 . 259 . . 65 ILE HA . 18943 1 276 . 1 1 37 37 ILE HB H 1 1.814 0.01 . 1 . 261 . . 65 ILE HB . 18943 1 277 . 1 1 37 37 ILE HG12 H 1 0.926 0.01 . 2 . 264 . . 65 ILE HG12 . 18943 1 278 . 1 1 37 37 ILE HG13 H 1 1.164 0.01 . 2 . 263 . . 65 ILE HG13 . 18943 1 279 . 1 1 37 37 ILE HG21 H 1 0.731 0.01 . 1 . 268 . . 65 ILE HG21 . 18943 1 280 . 1 1 37 37 ILE HG22 H 1 0.731 0.01 . 1 . 268 . . 65 ILE HG22 . 18943 1 281 . 1 1 37 37 ILE HG23 H 1 0.731 0.01 . 1 . 268 . . 65 ILE HG23 . 18943 1 282 . 1 1 37 37 ILE HD11 H 1 0.305 0.01 . 1 . 266 . . 65 ILE HD11 . 18943 1 283 . 1 1 37 37 ILE HD12 H 1 0.305 0.01 . 1 . 266 . . 65 ILE HD12 . 18943 1 284 . 1 1 37 37 ILE HD13 H 1 0.305 0.01 . 1 . 266 . . 65 ILE HD13 . 18943 1 285 . 1 1 37 37 ILE C C 13 176.048 0.1 . 1 . 269 . . 65 ILE C . 18943 1 286 . 1 1 37 37 ILE CA C 13 60.069 0.1 . 1 . 258 . . 65 ILE CA . 18943 1 287 . 1 1 37 37 ILE CB C 13 39.852 0.1 . 1 . 260 . . 65 ILE CB . 18943 1 288 . 1 1 37 37 ILE CG1 C 13 26.461 0.1 . 1 . 262 . . 65 ILE CG1 . 18943 1 289 . 1 1 37 37 ILE CG2 C 13 17.630 0.1 . 1 . 267 . . 65 ILE CG2 . 18943 1 290 . 1 1 37 37 ILE CD1 C 13 13.592 0.1 . 1 . 265 . . 65 ILE CD1 . 18943 1 291 . 1 1 37 37 ILE N N 15 113.888 0.1 . 1 . 256 . . 65 ILE N . 18943 1 292 . 1 1 38 38 ASN H H 1 9.018 0.01 . 1 . 271 . . 66 ASN H . 18943 1 293 . 1 1 38 38 ASN HA H 1 4.744 0.01 . 1 . 273 . . 66 ASN HA . 18943 1 294 . 1 1 38 38 ASN HB2 H 1 2.712 0.01 . 2 . 276 . . 66 ASN HB2 . 18943 1 295 . 1 1 38 38 ASN HB3 H 1 2.843 0.01 . 2 . 275 . . 66 ASN HB3 . 18943 1 296 . 1 1 38 38 ASN C C 13 174.482 0.1 . 1 . 277 . . 66 ASN C . 18943 1 297 . 1 1 38 38 ASN CA C 13 53.005 0.1 . 1 . 272 . . 66 ASN CA . 18943 1 298 . 1 1 38 38 ASN CB C 13 37.581 0.1 . 1 . 274 . . 66 ASN CB . 18943 1 299 . 1 1 38 38 ASN N N 15 123.517 0.1 . 1 . 270 . . 66 ASN N . 18943 1 300 . 1 1 39 39 ALA H H 1 7.423 0.01 . 1 . 279 . . 67 ALA H . 18943 1 301 . 1 1 39 39 ALA HA H 1 4.293 0.01 . 1 . 281 . . 67 ALA HA . 18943 1 302 . 1 1 39 39 ALA HB1 H 1 1.243 0.01 . 1 . 283 . . 67 ALA HB1 . 18943 1 303 . 1 1 39 39 ALA HB2 H 1 1.243 0.01 . 1 . 283 . . 67 ALA HB2 . 18943 1 304 . 1 1 39 39 ALA HB3 H 1 1.243 0.01 . 1 . 283 . . 67 ALA HB3 . 18943 1 305 . 1 1 39 39 ALA C C 13 176.796 0.1 . 1 . 284 . . 67 ALA C . 18943 1 306 . 1 1 39 39 ALA CA C 13 51.945 0.1 . 1 . 280 . . 67 ALA CA . 18943 1 307 . 1 1 39 39 ALA CB C 13 20.505 0.1 . 1 . 282 . . 67 ALA CB . 18943 1 308 . 1 1 39 39 ALA N N 15 121.861 0.1 . 1 . 278 . . 67 ALA N . 18943 1 309 . 1 1 40 40 GLU H H 1 8.578 0.01 . 1 . 286 . . 68 GLU H . 18943 1 310 . 1 1 40 40 GLU HA H 1 4.253 0.01 . 1 . 288 . . 68 GLU HA . 18943 1 311 . 1 1 40 40 GLU HB2 H 1 1.782 0.01 . 2 . 291 . . 68 GLU HB2 . 18943 1 312 . 1 1 40 40 GLU HB3 H 1 2.216 0.01 . 2 . 290 . . 68 GLU HB3 . 18943 1 313 . 1 1 40 40 GLU HG2 H 1 2.167 0.01 . 1 . 294 . . 68 GLU HG2 . 18943 1 314 . 1 1 40 40 GLU HG3 H 1 2.167 0.01 . 1 . 293 . . 68 GLU HG3 . 18943 1 315 . 1 1 40 40 GLU C C 13 177.002 0.1 . 1 . 295 . . 68 GLU C . 18943 1 316 . 1 1 40 40 GLU CA C 13 55.772 0.1 . 1 . 287 . . 68 GLU CA . 18943 1 317 . 1 1 40 40 GLU CB C 13 31.568 0.1 . 1 . 289 . . 68 GLU CB . 18943 1 318 . 1 1 40 40 GLU CG C 13 37.270 0.1 . 1 . 292 . . 68 GLU CG . 18943 1 319 . 1 1 40 40 GLU N N 15 121.526 0.1 . 1 . 285 . . 68 GLU N . 18943 1 320 . 1 1 41 41 GLN H H 1 8.774 0.01 . 1 . 297 . . 69 GLN H . 18943 1 321 . 1 1 41 41 GLN HA H 1 4.614 0.01 . 1 . 299 . . 69 GLN HA . 18943 1 322 . 1 1 41 41 GLN HB2 H 1 1.817 0.01 . 2 . 302 . . 69 GLN HB2 . 18943 1 323 . 1 1 41 41 GLN HB3 H 1 1.947 0.01 . 2 . 301 . . 69 GLN HB3 . 18943 1 324 . 1 1 41 41 GLN HG2 H 1 1.315 0.01 . 2 . 305 . . 69 GLN HG2 . 18943 1 325 . 1 1 41 41 GLN HG3 H 1 1.959 0.01 . 2 . 304 . . 69 GLN HG3 . 18943 1 326 . 1 1 41 41 GLN HE21 H 1 7.584 0.01 . 1 . 307 . . 69 GLN HE21 . 18943 1 327 . 1 1 41 41 GLN HE22 H 1 5.172 0.01 . 1 . 308 . . 69 GLN HE22 . 18943 1 328 . 1 1 41 41 GLN C C 13 173.969 0.1 . 1 . 309 . . 69 GLN C . 18943 1 329 . 1 1 41 41 GLN CA C 13 56.462 0.1 . 1 . 298 . . 69 GLN CA . 18943 1 330 . 1 1 41 41 GLN CB C 13 27.339 0.1 . 1 . 300 . . 69 GLN CB . 18943 1 331 . 1 1 41 41 GLN CG C 13 33.186 0.1 . 1 . 303 . . 69 GLN CG . 18943 1 332 . 1 1 41 41 GLN N N 15 121.057 0.1 . 1 . 296 . . 69 GLN N . 18943 1 333 . 1 1 41 41 GLN NE2 N 15 111.249 0.1 . 1 . 306 . . 69 GLN NE2 . 18943 1 334 . 1 1 42 42 ILE H H 1 8.386 0.01 . 1 . 311 . . 70 ILE H . 18943 1 335 . 1 1 42 42 ILE HA H 1 4.099 0.01 . 1 . 313 . . 70 ILE HA . 18943 1 336 . 1 1 42 42 ILE HB H 1 1.669 0.01 . 1 . 315 . . 70 ILE HB . 18943 1 337 . 1 1 42 42 ILE HG12 H 1 0.625 0.01 . 2 . 318 . . 70 ILE HG12 . 18943 1 338 . 1 1 42 42 ILE HG13 H 1 1.577 0.01 . 2 . 317 . . 70 ILE HG13 . 18943 1 339 . 1 1 42 42 ILE HG21 H 1 0.594 0.01 . 1 . 322 . . 70 ILE HG21 . 18943 1 340 . 1 1 42 42 ILE HG22 H 1 0.594 0.01 . 1 . 322 . . 70 ILE HG22 . 18943 1 341 . 1 1 42 42 ILE HG23 H 1 0.594 0.01 . 1 . 322 . . 70 ILE HG23 . 18943 1 342 . 1 1 42 42 ILE HD11 H 1 0.832 0.01 . 1 . 320 . . 70 ILE HD11 . 18943 1 343 . 1 1 42 42 ILE HD12 H 1 0.832 0.01 . 1 . 320 . . 70 ILE HD12 . 18943 1 344 . 1 1 42 42 ILE HD13 H 1 0.832 0.01 . 1 . 320 . . 70 ILE HD13 . 18943 1 345 . 1 1 42 42 ILE C C 13 175.924 0.1 . 1 . 323 . . 70 ILE C . 18943 1 346 . 1 1 42 42 ILE CA C 13 60.722 0.1 . 1 . 312 . . 70 ILE CA . 18943 1 347 . 1 1 42 42 ILE CB C 13 40.172 0.1 . 1 . 314 . . 70 ILE CB . 18943 1 348 . 1 1 42 42 ILE CG1 C 13 27.796 0.1 . 1 . 316 . . 70 ILE CG1 . 18943 1 349 . 1 1 42 42 ILE CG2 C 13 17.303 0.1 . 1 . 321 . . 70 ILE CG2 . 18943 1 350 . 1 1 42 42 ILE CD1 C 13 14.335 0.1 . 1 . 319 . . 70 ILE CD1 . 18943 1 351 . 1 1 42 42 ILE N N 15 124.834 0.1 . 1 . 310 . . 70 ILE N . 18943 1 352 . 1 1 43 43 VAL H H 1 10.055 0.01 . 1 . 325 . . 71 VAL H . 18943 1 353 . 1 1 43 43 VAL HA H 1 4.276 0.01 . 1 . 327 . . 71 VAL HA . 18943 1 354 . 1 1 43 43 VAL HB H 1 2.086 0.01 . 1 . 329 . . 71 VAL HB . 18943 1 355 . 1 1 43 43 VAL HG11 H 1 0.872 0.01 . 2 . 333 . . 71 VAL HG11 . 18943 1 356 . 1 1 43 43 VAL HG12 H 1 0.872 0.01 . 2 . 333 . . 71 VAL HG12 . 18943 1 357 . 1 1 43 43 VAL HG13 H 1 0.872 0.01 . 2 . 333 . . 71 VAL HG13 . 18943 1 358 . 1 1 43 43 VAL HG21 H 1 0.965 0.01 . 2 . 331 . . 71 VAL HG21 . 18943 1 359 . 1 1 43 43 VAL HG22 H 1 0.965 0.01 . 2 . 331 . . 71 VAL HG22 . 18943 1 360 . 1 1 43 43 VAL HG23 H 1 0.965 0.01 . 2 . 331 . . 71 VAL HG23 . 18943 1 361 . 1 1 43 43 VAL C C 13 176.124 0.1 . 1 . 334 . . 71 VAL C . 18943 1 362 . 1 1 43 43 VAL CA C 13 64.633 0.1 . 1 . 326 . . 71 VAL CA . 18943 1 363 . 1 1 43 43 VAL CB C 13 32.242 0.1 . 1 . 328 . . 71 VAL CB . 18943 1 364 . 1 1 43 43 VAL CG1 C 13 21.573 0.1 . 2 . 332 . . 71 VAL CG1 . 18943 1 365 . 1 1 43 43 VAL CG2 C 13 22.503 0.1 . 2 . 330 . . 71 VAL CG2 . 18943 1 366 . 1 1 43 43 VAL N N 15 129.829 0.1 . 1 . 324 . . 71 VAL N . 18943 1 367 . 1 1 44 44 ILE H H 1 8.825 0.01 . 1 . 336 . . 72 ILE H . 18943 1 368 . 1 1 44 44 ILE HA H 1 4.704 0.01 . 1 . 338 . . 72 ILE HA . 18943 1 369 . 1 1 44 44 ILE HB H 1 2.202 0.01 . 1 . 340 . . 72 ILE HB . 18943 1 370 . 1 1 44 44 ILE HG12 H 1 1.113 0.01 . 2 . 343 . . 72 ILE HG12 . 18943 1 371 . 1 1 44 44 ILE HG13 H 1 1.277 0.01 . 2 . 342 . . 72 ILE HG13 . 18943 1 372 . 1 1 44 44 ILE HG21 H 1 1.121 0.01 . 1 . 347 . . 72 ILE HG21 . 18943 1 373 . 1 1 44 44 ILE HG22 H 1 1.121 0.01 . 1 . 347 . . 72 ILE HG22 . 18943 1 374 . 1 1 44 44 ILE HG23 H 1 1.121 0.01 . 1 . 347 . . 72 ILE HG23 . 18943 1 375 . 1 1 44 44 ILE HD11 H 1 0.929 0.01 . 1 . 345 . . 72 ILE HD11 . 18943 1 376 . 1 1 44 44 ILE HD12 H 1 0.929 0.01 . 1 . 345 . . 72 ILE HD12 . 18943 1 377 . 1 1 44 44 ILE HD13 H 1 0.929 0.01 . 1 . 345 . . 72 ILE HD13 . 18943 1 378 . 1 1 44 44 ILE C C 13 175.698 0.1 . 1 . 348 . . 72 ILE C . 18943 1 379 . 1 1 44 44 ILE CA C 13 61.024 0.1 . 1 . 337 . . 72 ILE CA . 18943 1 380 . 1 1 44 44 ILE CB C 13 41.035 0.1 . 1 . 339 . . 72 ILE CB . 18943 1 381 . 1 1 44 44 ILE CG1 C 13 26.455 0.1 . 1 . 341 . . 72 ILE CG1 . 18943 1 382 . 1 1 44 44 ILE CG2 C 13 18.827 0.1 . 1 . 346 . . 72 ILE CG2 . 18943 1 383 . 1 1 44 44 ILE CD1 C 13 15.359 0.1 . 1 . 344 . . 72 ILE CD1 . 18943 1 384 . 1 1 44 44 ILE N N 15 117.306 0.1 . 1 . 335 . . 72 ILE N . 18943 1 385 . 1 1 45 45 LYS H H 1 7.667 0.01 . 1 . 350 . . 73 LYS H . 18943 1 386 . 1 1 45 45 LYS HA H 1 4.564 0.01 . 1 . 352 . . 73 LYS HA . 18943 1 387 . 1 1 45 45 LYS HB2 H 1 1.560 0.01 . 2 . 355 . . 73 LYS HB2 . 18943 1 388 . 1 1 45 45 LYS HB3 H 1 1.835 0.01 . 2 . 354 . . 73 LYS HB3 . 18943 1 389 . 1 1 45 45 LYS HG2 H 1 1.205 0.01 . 2 . 358 . . 73 LYS HG2 . 18943 1 390 . 1 1 45 45 LYS HG3 H 1 1.457 0.01 . 2 . 357 . . 73 LYS HG3 . 18943 1 391 . 1 1 45 45 LYS HD2 H 1 1.599 0.01 . 1 . 361 . . 73 LYS HD2 . 18943 1 392 . 1 1 45 45 LYS HD3 H 1 1.599 0.01 . 1 . 360 . . 73 LYS HD3 . 18943 1 393 . 1 1 45 45 LYS C C 13 173.405 0.1 . 1 . 363 . . 73 LYS C . 18943 1 394 . 1 1 45 45 LYS CA C 13 56.713 0.1 . 1 . 351 . . 73 LYS CA . 18943 1 395 . 1 1 45 45 LYS CB C 13 36.316 0.1 . 1 . 353 . . 73 LYS CB . 18943 1 396 . 1 1 45 45 LYS CG C 13 25.176 0.1 . 1 . 356 . . 73 LYS CG . 18943 1 397 . 1 1 45 45 LYS CD C 13 29.468 0.1 . 1 . 359 . . 73 LYS CD . 18943 1 398 . 1 1 45 45 LYS CE C 13 41.479 0.1 . 1 . 362 . . 73 LYS CE . 18943 1 399 . 1 1 45 45 LYS N N 15 122.416 0.1 . 1 . 349 . . 73 LYS N . 18943 1 400 . 1 1 46 46 ILE H H 1 8.575 0.01 . 1 . 365 . . 74 ILE H . 18943 1 401 . 1 1 46 46 ILE HA H 1 4.319 0.01 . 1 . 367 . . 74 ILE HA . 18943 1 402 . 1 1 46 46 ILE HB H 1 1.170 0.01 . 1 . 369 . . 74 ILE HB . 18943 1 403 . 1 1 46 46 ILE HG12 H 1 0.620 0.01 . 2 . 372 . . 74 ILE HG12 . 18943 1 404 . 1 1 46 46 ILE HG13 H 1 1.376 0.01 . 2 . 371 . . 74 ILE HG13 . 18943 1 405 . 1 1 46 46 ILE HG21 H 1 0.422 0.01 . 1 . 376 . . 74 ILE HG21 . 18943 1 406 . 1 1 46 46 ILE HG22 H 1 0.422 0.01 . 1 . 376 . . 74 ILE HG22 . 18943 1 407 . 1 1 46 46 ILE HG23 H 1 0.422 0.01 . 1 . 376 . . 74 ILE HG23 . 18943 1 408 . 1 1 46 46 ILE HD11 H 1 0.691 0.01 . 1 . 374 . . 74 ILE HD11 . 18943 1 409 . 1 1 46 46 ILE HD12 H 1 0.691 0.01 . 1 . 374 . . 74 ILE HD12 . 18943 1 410 . 1 1 46 46 ILE HD13 H 1 0.691 0.01 . 1 . 374 . . 74 ILE HD13 . 18943 1 411 . 1 1 46 46 ILE C C 13 173.452 0.1 . 1 . 377 . . 74 ILE C . 18943 1 412 . 1 1 46 46 ILE CA C 13 61.583 0.1 . 1 . 366 . . 74 ILE CA . 18943 1 413 . 1 1 46 46 ILE CB C 13 41.465 0.1 . 1 . 368 . . 74 ILE CB . 18943 1 414 . 1 1 46 46 ILE CG1 C 13 26.955 0.1 . 1 . 370 . . 74 ILE CG1 . 18943 1 415 . 1 1 46 46 ILE CG2 C 13 17.929 0.1 . 1 . 375 . . 74 ILE CG2 . 18943 1 416 . 1 1 46 46 ILE CD1 C 13 14.885 0.1 . 1 . 373 . . 74 ILE CD1 . 18943 1 417 . 1 1 46 46 ILE N N 15 126.181 0.1 . 1 . 364 . . 74 ILE N . 18943 1 418 . 1 1 47 47 THR H H 1 8.860 0.01 . 1 . 379 . . 75 THR H . 18943 1 419 . 1 1 47 47 THR HA H 1 4.731 0.01 . 1 . 381 . . 75 THR HA . 18943 1 420 . 1 1 47 47 THR HB H 1 4.709 0.01 . 1 . 383 . . 75 THR HB . 18943 1 421 . 1 1 47 47 THR HG21 H 1 1.111 0.01 . 1 . 385 . . 75 THR HG21 . 18943 1 422 . 1 1 47 47 THR HG22 H 1 1.111 0.01 . 1 . 385 . . 75 THR HG22 . 18943 1 423 . 1 1 47 47 THR HG23 H 1 1.111 0.01 . 1 . 385 . . 75 THR HG23 . 18943 1 424 . 1 1 47 47 THR C C 13 173.137 0.1 . 1 . 386 . . 75 THR C . 18943 1 425 . 1 1 47 47 THR CA C 13 59.106 0.1 . 1 . 380 . . 75 THR CA . 18943 1 426 . 1 1 47 47 THR CB C 13 72.114 0.1 . 1 . 382 . . 75 THR CB . 18943 1 427 . 1 1 47 47 THR CG2 C 13 21.335 0.1 . 1 . 384 . . 75 THR CG2 . 18943 1 428 . 1 1 47 47 THR N N 15 117.026 0.1 . 1 . 378 . . 75 THR N . 18943 1 429 . 1 1 48 48 ASP H H 1 8.639 0.01 . 1 . 388 . . 76 ASP H . 18943 1 430 . 1 1 48 48 ASP HA H 1 4.543 0.01 . 1 . 390 . . 76 ASP HA . 18943 1 431 . 1 1 48 48 ASP HB2 H 1 2.706 0.01 . 2 . 393 . . 76 ASP HB2 . 18943 1 432 . 1 1 48 48 ASP HB3 H 1 2.900 0.01 . 2 . 392 . . 76 ASP HB3 . 18943 1 433 . 1 1 48 48 ASP C C 13 177.557 0.1 . 1 . 394 . . 76 ASP C . 18943 1 434 . 1 1 48 48 ASP CA C 13 56.296 0.1 . 1 . 389 . . 76 ASP CA . 18943 1 435 . 1 1 48 48 ASP CB C 13 40.850 0.1 . 1 . 391 . . 76 ASP CB . 18943 1 436 . 1 1 48 48 ASP N N 15 115.167 0.1 . 1 . 387 . . 76 ASP N . 18943 1 437 . 1 1 49 49 GLN H H 1 7.892 0.01 . 1 . 396 . . 77 GLN H . 18943 1 438 . 1 1 49 49 GLN HA H 1 4.431 0.01 . 1 . 398 . . 77 GLN HA . 18943 1 439 . 1 1 49 49 GLN HB2 H 1 1.931 0.01 . 2 . 401 . . 77 GLN HB2 . 18943 1 440 . 1 1 49 49 GLN HB3 H 1 2.204 0.01 . 2 . 400 . . 77 GLN HB3 . 18943 1 441 . 1 1 49 49 GLN HG2 H 1 2.366 0.01 . 2 . 404 . . 77 GLN HG2 . 18943 1 442 . 1 1 49 49 GLN HG3 H 1 2.440 0.01 . 2 . 403 . . 77 GLN HG3 . 18943 1 443 . 1 1 49 49 GLN C C 13 176.452 0.1 . 1 . 405 . . 77 GLN C . 18943 1 444 . 1 1 49 49 GLN CA C 13 56.342 0.1 . 1 . 397 . . 77 GLN CA . 18943 1 445 . 1 1 49 49 GLN CB C 13 30.616 0.1 . 1 . 399 . . 77 GLN CB . 18943 1 446 . 1 1 49 49 GLN CG C 13 34.429 0.1 . 1 . 402 . . 77 GLN CG . 18943 1 447 . 1 1 49 49 GLN N N 15 114.655 0.1 . 1 . 395 . . 77 GLN N . 18943 1 448 . 1 1 50 50 GLY H H 1 7.578 0.01 . 1 . 407 . . 78 GLY H . 18943 1 449 . 1 1 50 50 GLY HA2 H 1 5.089 0.01 . 2 . 410 . . 78 GLY HA2 . 18943 1 450 . 1 1 50 50 GLY HA3 H 1 4.695 0.01 . 2 . 409 . . 78 GLY HA3 . 18943 1 451 . 1 1 50 50 GLY C C 13 171.303 0.1 . 1 . 411 . . 78 GLY C . 18943 1 452 . 1 1 50 50 GLY CA C 13 47.122 0.1 . 1 . 408 . . 78 GLY CA . 18943 1 453 . 1 1 50 50 GLY N N 15 110.466 0.1 . 1 . 406 . . 78 GLY N . 18943 1 454 . 1 1 51 51 TYR H H 1 8.665 0.01 . 1 . 413 . . 79 TYR H . 18943 1 455 . 1 1 51 51 TYR HA H 1 5.201 0.01 . 1 . 415 . . 79 TYR HA . 18943 1 456 . 1 1 51 51 TYR HB2 H 1 3.055 0.01 . 2 . 418 . . 79 TYR HB2 . 18943 1 457 . 1 1 51 51 TYR HB3 H 1 3.180 0.01 . 2 . 417 . . 79 TYR HB3 . 18943 1 458 . 1 1 51 51 TYR HD1 H 1 6.744 0.01 . 3 . 419 . . 79 TYR HD1 . 18943 1 459 . 1 1 51 51 TYR HD2 H 1 6.744 0.01 . 3 . 420 . . 79 TYR HD2 . 18943 1 460 . 1 1 51 51 TYR HE1 H 1 6.249 0.01 . 3 . 423 . . 79 TYR HE1 . 18943 1 461 . 1 1 51 51 TYR HE2 H 1 6.249 0.01 . 3 . 424 . . 79 TYR HE2 . 18943 1 462 . 1 1 51 51 TYR C C 13 171.808 0.1 . 1 . 427 . . 79 TYR C . 18943 1 463 . 1 1 51 51 TYR CA C 13 56.269 0.1 . 1 . 414 . . 79 TYR CA . 18943 1 464 . 1 1 51 51 TYR CB C 13 39.903 0.1 . 1 . 416 . . 79 TYR CB . 18943 1 465 . 1 1 51 51 TYR CD1 C 13 134.143 0.1 . 3 . 425 . . 79 TYR CD1 . 18943 1 466 . 1 1 51 51 TYR CD2 C 13 134.143 0.1 . 3 . 426 . . 79 TYR CD2 . 18943 1 467 . 1 1 51 51 TYR CE1 C 13 118.336 0.1 . 3 . 421 . . 79 TYR CE1 . 18943 1 468 . 1 1 51 51 TYR CE2 C 13 118.336 0.1 . 3 . 422 . . 79 TYR CE2 . 18943 1 469 . 1 1 51 51 TYR N N 15 117.157 0.1 . 1 . 412 . . 79 TYR N . 18943 1 470 . 1 1 52 52 VAL H H 1 8.716 0.01 . 1 . 429 . . 80 VAL H . 18943 1 471 . 1 1 52 52 VAL HA H 1 5.362 0.01 . 1 . 431 . . 80 VAL HA . 18943 1 472 . 1 1 52 52 VAL HB H 1 1.833 0.01 . 1 . 433 . . 80 VAL HB . 18943 1 473 . 1 1 52 52 VAL HG11 H 1 0.849 0.01 . 2 . 437 . . 80 VAL HG11 . 18943 1 474 . 1 1 52 52 VAL HG12 H 1 0.849 0.01 . 2 . 437 . . 80 VAL HG12 . 18943 1 475 . 1 1 52 52 VAL HG13 H 1 0.849 0.01 . 2 . 437 . . 80 VAL HG13 . 18943 1 476 . 1 1 52 52 VAL HG21 H 1 0.880 0.01 . 2 . 435 . . 80 VAL HG21 . 18943 1 477 . 1 1 52 52 VAL HG22 H 1 0.880 0.01 . 2 . 435 . . 80 VAL HG22 . 18943 1 478 . 1 1 52 52 VAL HG23 H 1 0.880 0.01 . 2 . 435 . . 80 VAL HG23 . 18943 1 479 . 1 1 52 52 VAL C C 13 177.446 0.1 . 1 . 438 . . 80 VAL C . 18943 1 480 . 1 1 52 52 VAL CA C 13 59.828 0.1 . 1 . 430 . . 80 VAL CA . 18943 1 481 . 1 1 52 52 VAL CB C 13 35.816 0.1 . 1 . 432 . . 80 VAL CB . 18943 1 482 . 1 1 52 52 VAL CG1 C 13 21.108 0.1 . 2 . 436 . . 80 VAL CG1 . 18943 1 483 . 1 1 52 52 VAL CG2 C 13 21.987 0.1 . 2 . 434 . . 80 VAL CG2 . 18943 1 484 . 1 1 52 52 VAL N N 15 119.598 0.1 . 1 . 428 . . 80 VAL N . 18943 1 485 . 1 1 53 53 THR H H 1 9.909 0.01 . 1 . 440 . . 81 THR H . 18943 1 486 . 1 1 53 53 THR HA H 1 5.626 0.01 . 1 . 442 . . 81 THR HA . 18943 1 487 . 1 1 53 53 THR HB H 1 4.099 0.01 . 1 . 444 . . 81 THR HB . 18943 1 488 . 1 1 53 53 THR HG21 H 1 1.347 0.01 . 1 . 446 . . 81 THR HG21 . 18943 1 489 . 1 1 53 53 THR HG22 H 1 1.347 0.01 . 1 . 446 . . 81 THR HG22 . 18943 1 490 . 1 1 53 53 THR HG23 H 1 1.347 0.01 . 1 . 446 . . 81 THR HG23 . 18943 1 491 . 1 1 53 53 THR C C 13 173.712 0.1 . 1 . 447 . . 81 THR C . 18943 1 492 . 1 1 53 53 THR CA C 13 57.965 0.1 . 1 . 441 . . 81 THR CA . 18943 1 493 . 1 1 53 53 THR CB C 13 70.743 0.1 . 1 . 443 . . 81 THR CB . 18943 1 494 . 1 1 53 53 THR CG2 C 13 23.227 0.1 . 1 . 445 . . 81 THR CG2 . 18943 1 495 . 1 1 53 53 THR N N 15 116.032 0.1 . 1 . 439 . . 81 THR N . 18943 1 496 . 1 1 54 54 SER H H 1 9.365 0.01 . 1 . 449 . . 82 SER H . 18943 1 497 . 1 1 54 54 SER HA H 1 4.588 0.01 . 1 . 451 . . 82 SER HA . 18943 1 498 . 1 1 54 54 SER HB2 H 1 3.725 0.01 . 2 . 454 . . 82 SER HB2 . 18943 1 499 . 1 1 54 54 SER HB3 H 1 3.909 0.01 . 2 . 453 . . 82 SER HB3 . 18943 1 500 . 1 1 54 54 SER C C 13 174.367 0.1 . 1 . 455 . . 82 SER C . 18943 1 501 . 1 1 54 54 SER CA C 13 57.406 0.1 . 1 . 450 . . 82 SER CA . 18943 1 502 . 1 1 54 54 SER CB C 13 64.393 0.1 . 1 . 452 . . 82 SER CB . 18943 1 503 . 1 1 54 54 SER N N 15 115.242 0.1 . 1 . 448 . . 82 SER N . 18943 1 504 . 1 1 55 55 HIS H H 1 8.397 0.01 . 1 . 457 . . 83 HIS H . 18943 1 505 . 1 1 55 55 HIS HA H 1 5.172 0.01 . 1 . 459 . . 83 HIS HA . 18943 1 506 . 1 1 55 55 HIS HB2 H 1 2.284 0.01 . 2 . 462 . . 83 HIS HB2 . 18943 1 507 . 1 1 55 55 HIS HB3 H 1 2.678 0.01 . 2 . 461 . . 83 HIS HB3 . 18943 1 508 . 1 1 55 55 HIS HD2 H 1 6.491 0.01 . 1 . 464 . . 83 HIS HD2 . 18943 1 509 . 1 1 55 55 HIS HE1 H 1 8.181 0.01 . 1 . 467 . . 83 HIS HE1 . 18943 1 510 . 1 1 55 55 HIS C C 13 172.368 0.1 . 1 . 469 . . 83 HIS C . 18943 1 511 . 1 1 55 55 HIS CA C 13 52.537 0.1 . 1 . 458 . . 83 HIS CA . 18943 1 512 . 1 1 55 55 HIS CB C 13 33.714 0.1 . 1 . 460 . . 83 HIS CB . 18943 1 513 . 1 1 55 55 HIS CD2 C 13 126.646 0.1 . 1 . 463 . . 83 HIS CD2 . 18943 1 514 . 1 1 55 55 HIS CE1 C 13 142.852 0.1 . 1 . 466 . . 83 HIS CE1 . 18943 1 515 . 1 1 55 55 HIS N N 15 128.565 0.1 . 1 . 456 . . 83 HIS N . 18943 1 516 . 1 1 55 55 HIS ND1 N 15 173.830 0.1 . 1 . 468 . . 83 HIS ND1 . 18943 1 517 . 1 1 55 55 HIS NE2 N 15 203.530 0.1 . 1 . 465 . . 83 HIS NE2 . 18943 1 518 . 1 1 56 56 GLY H H 1 8.508 0.01 . 1 . 471 . . 84 GLY H . 18943 1 519 . 1 1 56 56 GLY HA2 H 1 3.440 0.01 . 2 . 474 . . 84 GLY HA2 . 18943 1 520 . 1 1 56 56 GLY HA3 H 1 3.537 0.01 . 2 . 473 . . 84 GLY HA3 . 18943 1 521 . 1 1 56 56 GLY C C 13 174.659 0.1 . 1 . 475 . . 84 GLY C . 18943 1 522 . 1 1 56 56 GLY CA C 13 46.788 0.1 . 1 . 472 . . 84 GLY CA . 18943 1 523 . 1 1 56 56 GLY N N 15 113.422 0.1 . 1 . 470 . . 84 GLY N . 18943 1 524 . 1 1 57 57 ASP H H 1 8.496 0.01 . 1 . 477 . . 85 ASP H . 18943 1 525 . 1 1 57 57 ASP HA H 1 4.313 0.01 . 1 . 479 . . 85 ASP HA . 18943 1 526 . 1 1 57 57 ASP HB2 H 1 2.626 0.01 . 2 . 482 . . 85 ASP HB2 . 18943 1 527 . 1 1 57 57 ASP HB3 H 1 3.154 0.01 . 2 . 481 . . 85 ASP HB3 . 18943 1 528 . 1 1 57 57 ASP C C 13 175.194 0.1 . 1 . 483 . . 85 ASP C . 18943 1 529 . 1 1 57 57 ASP CA C 13 53.957 0.1 . 1 . 478 . . 85 ASP CA . 18943 1 530 . 1 1 57 57 ASP CB C 13 40.594 0.1 . 1 . 480 . . 85 ASP CB . 18943 1 531 . 1 1 57 57 ASP N N 15 126.976 0.1 . 1 . 476 . . 85 ASP N . 18943 1 532 . 1 1 58 58 HIS H H 1 7.159 0.01 . 1 . 485 . . 86 HIS H . 18943 1 533 . 1 1 58 58 HIS HA H 1 4.768 0.01 . 1 . 487 . . 86 HIS HA . 18943 1 534 . 1 1 58 58 HIS HB2 H 1 2.928 0.01 . 2 . 490 . . 86 HIS HB2 . 18943 1 535 . 1 1 58 58 HIS HB3 H 1 3.348 0.01 . 2 . 489 . . 86 HIS HB3 . 18943 1 536 . 1 1 58 58 HIS HD1 H 1 12.060 0.01 . 1 . 497 . . 86 HIS HD1 . 18943 1 537 . 1 1 58 58 HIS HD2 H 1 5.882 0.01 . 1 . 492 . . 86 HIS HD2 . 18943 1 538 . 1 1 58 58 HIS HE1 H 1 7.361 0.01 . 1 . 495 . . 86 HIS HE1 . 18943 1 539 . 1 1 58 58 HIS C C 13 171.676 0.1 . 1 . 498 . . 86 HIS C . 18943 1 540 . 1 1 58 58 HIS CA C 13 55.476 0.1 . 1 . 486 . . 86 HIS CA . 18943 1 541 . 1 1 58 58 HIS CB C 13 29.708 0.1 . 1 . 488 . . 86 HIS CB . 18943 1 542 . 1 1 58 58 HIS CD2 C 13 125.747 0.1 . 1 . 491 . . 86 HIS CD2 . 18943 1 543 . 1 1 58 58 HIS CE1 C 13 140.002 0.1 . 1 . 494 . . 86 HIS CE1 . 18943 1 544 . 1 1 58 58 HIS N N 15 117.028 0.1 . 1 . 484 . . 86 HIS N . 18943 1 545 . 1 1 58 58 HIS ND1 N 15 175.343 0.1 . 1 . 496 . . 86 HIS ND1 . 18943 1 546 . 1 1 58 58 HIS NE2 N 15 206.097 0.1 . 1 . 493 . . 86 HIS NE2 . 18943 1 547 . 1 1 59 59 TYR H H 1 8.273 0.01 . 1 . 500 . . 87 TYR H . 18943 1 548 . 1 1 59 59 TYR HA H 1 5.555 0.01 . 1 . 502 . . 87 TYR HA . 18943 1 549 . 1 1 59 59 TYR HB2 H 1 2.549 0.01 . 2 . 505 . . 87 TYR HB2 . 18943 1 550 . 1 1 59 59 TYR HB3 H 1 2.996 0.01 . 2 . 504 . . 87 TYR HB3 . 18943 1 551 . 1 1 59 59 TYR HD1 H 1 7.112 0.01 . 3 . 512 . . 87 TYR HD1 . 18943 1 552 . 1 1 59 59 TYR HD2 H 1 7.112 0.01 . 3 . 513 . . 87 TYR HD2 . 18943 1 553 . 1 1 59 59 TYR HE1 H 1 6.733 0.01 . 3 . 510 . . 87 TYR HE1 . 18943 1 554 . 1 1 59 59 TYR HE2 H 1 6.733 0.01 . 3 . 511 . . 87 TYR HE2 . 18943 1 555 . 1 1 59 59 TYR C C 13 174.956 0.1 . 1 . 514 . . 87 TYR C . 18943 1 556 . 1 1 59 59 TYR CA C 13 56.282 0.1 . 1 . 501 . . 87 TYR CA . 18943 1 557 . 1 1 59 59 TYR CB C 13 42.148 0.1 . 1 . 503 . . 87 TYR CB . 18943 1 558 . 1 1 59 59 TYR CD1 C 13 133.980 0.1 . 3 . 506 . . 87 TYR CD1 . 18943 1 559 . 1 1 59 59 TYR CD2 C 13 133.980 0.1 . 3 . 507 . . 87 TYR CD2 . 18943 1 560 . 1 1 59 59 TYR CE1 C 13 118.258 0.1 . 3 . 508 . . 87 TYR CE1 . 18943 1 561 . 1 1 59 59 TYR CE2 C 13 118.258 0.1 . 3 . 509 . . 87 TYR CE2 . 18943 1 562 . 1 1 59 59 TYR N N 15 117.546 0.1 . 1 . 499 . . 87 TYR N . 18943 1 563 . 1 1 60 60 HIS H H 1 8.769 0.01 . 1 . 516 . . 88 HIS H . 18943 1 564 . 1 1 60 60 HIS HA H 1 4.800 0.01 . 1 . 518 . . 88 HIS HA . 18943 1 565 . 1 1 60 60 HIS HB2 H 1 2.436 0.01 . 2 . 521 . . 88 HIS HB2 . 18943 1 566 . 1 1 60 60 HIS HB3 H 1 3.208 0.01 . 2 . 520 . . 88 HIS HB3 . 18943 1 567 . 1 1 60 60 HIS HD2 H 1 6.835 0.01 . 1 . 523 . . 88 HIS HD2 . 18943 1 568 . 1 1 60 60 HIS HE1 H 1 8.229 0.01 . 1 . 527 . . 88 HIS HE1 . 18943 1 569 . 1 1 60 60 HIS HE2 H 1 11.170 0.01 . 1 . 525 . . 88 HIS HE2 . 18943 1 570 . 1 1 60 60 HIS C C 13 171.738 0.1 . 1 . 529 . . 88 HIS C . 18943 1 571 . 1 1 60 60 HIS CA C 13 55.216 0.1 . 1 . 517 . . 88 HIS CA . 18943 1 572 . 1 1 60 60 HIS CB C 13 33.837 0.1 . 1 . 519 . . 88 HIS CB . 18943 1 573 . 1 1 60 60 HIS CD2 C 13 119.500 0.1 . 1 . 522 . . 88 HIS CD2 . 18943 1 574 . 1 1 60 60 HIS CE1 C 13 141.395 0.1 . 1 . 526 . . 88 HIS CE1 . 18943 1 575 . 1 1 60 60 HIS N N 15 115.564 0.1 . 1 . 515 . . 88 HIS N . 18943 1 576 . 1 1 60 60 HIS ND1 N 15 213.020 0.1 . 1 . 528 . . 88 HIS ND1 . 18943 1 577 . 1 1 60 60 HIS NE2 N 15 168.310 0.1 . 1 . 524 . . 88 HIS NE2 . 18943 1 578 . 1 1 61 61 TYR H H 1 8.816 0.01 . 1 . 531 . . 89 TYR H . 18943 1 579 . 1 1 61 61 TYR HA H 1 5.022 0.01 . 1 . 533 . . 89 TYR HA . 18943 1 580 . 1 1 61 61 TYR HB2 H 1 2.610 0.01 . 2 . 536 . . 89 TYR HB2 . 18943 1 581 . 1 1 61 61 TYR HB3 H 1 2.671 0.01 . 2 . 535 . . 89 TYR HB3 . 18943 1 582 . 1 1 61 61 TYR HD1 H 1 6.773 0.01 . 3 . 543 . . 89 TYR HD1 . 18943 1 583 . 1 1 61 61 TYR HD2 H 1 6.773 0.01 . 3 . 544 . . 89 TYR HD2 . 18943 1 584 . 1 1 61 61 TYR HE1 H 1 6.473 0.01 . 3 . 541 . . 89 TYR HE1 . 18943 1 585 . 1 1 61 61 TYR HE2 H 1 6.473 0.01 . 3 . 542 . . 89 TYR HE2 . 18943 1 586 . 1 1 61 61 TYR C C 13 172.568 0.1 . 1 . 545 . . 89 TYR C . 18943 1 587 . 1 1 61 61 TYR CA C 13 56.080 0.1 . 1 . 532 . . 89 TYR CA . 18943 1 588 . 1 1 61 61 TYR CB C 13 40.126 0.1 . 1 . 534 . . 89 TYR CB . 18943 1 589 . 1 1 61 61 TYR CD1 C 13 133.493 0.1 . 3 . 537 . . 89 TYR CD1 . 18943 1 590 . 1 1 61 61 TYR CD2 C 13 133.493 0.1 . 3 . 538 . . 89 TYR CD2 . 18943 1 591 . 1 1 61 61 TYR CE1 C 13 118.272 0.1 . 3 . 539 . . 89 TYR CE1 . 18943 1 592 . 1 1 61 61 TYR CE2 C 13 118.272 0.1 . 3 . 540 . . 89 TYR CE2 . 18943 1 593 . 1 1 61 61 TYR N N 15 122.343 0.1 . 1 . 530 . . 89 TYR N . 18943 1 594 . 1 1 62 62 TYR H H 1 8.106 0.01 . 1 . 547 . . 90 TYR H . 18943 1 595 . 1 1 62 62 TYR HA H 1 4.476 0.01 . 1 . 549 . . 90 TYR HA . 18943 1 596 . 1 1 62 62 TYR HB2 H 1 1.123 0.01 . 2 . 552 . . 90 TYR HB2 . 18943 1 597 . 1 1 62 62 TYR HB3 H 1 2.556 0.01 . 2 . 551 . . 90 TYR HB3 . 18943 1 598 . 1 1 62 62 TYR HE1 H 1 6.529 0.01 . 3 . 553 . . 90 TYR HE1 . 18943 1 599 . 1 1 62 62 TYR HE2 H 1 6.529 0.01 . 3 . 554 . . 90 TYR HE2 . 18943 1 600 . 1 1 62 62 TYR C C 13 174.524 0.1 . 1 . 555 . . 90 TYR C . 18943 1 601 . 1 1 62 62 TYR CA C 13 55.900 0.1 . 1 . 548 . . 90 TYR CA . 18943 1 602 . 1 1 62 62 TYR CB C 13 41.054 0.1 . 1 . 550 . . 90 TYR CB . 18943 1 603 . 1 1 62 62 TYR N N 15 123.127 0.1 . 1 . 546 . . 90 TYR N . 18943 1 604 . 1 1 63 63 ASN H H 1 8.669 0.01 . 1 . 557 . . 91 ASN H . 18943 1 605 . 1 1 63 63 ASN HA H 1 4.959 0.01 . 1 . 559 . . 91 ASN HA . 18943 1 606 . 1 1 63 63 ASN HB2 H 1 2.629 0.01 . 2 . 562 . . 91 ASN HB2 . 18943 1 607 . 1 1 63 63 ASN HB3 H 1 2.756 0.01 . 2 . 561 . . 91 ASN HB3 . 18943 1 608 . 1 1 63 63 ASN C C 13 176.607 0.1 . 1 . 563 . . 91 ASN C . 18943 1 609 . 1 1 63 63 ASN CA C 13 53.092 0.1 . 1 . 558 . . 91 ASN CA . 18943 1 610 . 1 1 63 63 ASN CB C 13 40.545 0.1 . 1 . 560 . . 91 ASN CB . 18943 1 611 . 1 1 63 63 ASN N N 15 117.460 0.1 . 1 . 556 . . 91 ASN N . 18943 1 612 . 1 1 64 64 GLY H H 1 8.622 0.01 . 1 . 565 . . 92 GLY H . 18943 1 613 . 1 1 64 64 GLY HA2 H 1 3.797 0.01 . 2 . 568 . . 92 GLY HA2 . 18943 1 614 . 1 1 64 64 GLY HA3 H 1 4.404 0.01 . 2 . 567 . . 92 GLY HA3 . 18943 1 615 . 1 1 64 64 GLY C C 13 173.486 0.1 . 1 . 569 . . 92 GLY C . 18943 1 616 . 1 1 64 64 GLY CA C 13 44.491 0.1 . 1 . 566 . . 92 GLY CA . 18943 1 617 . 1 1 64 64 GLY N N 15 110.321 0.1 . 1 . 564 . . 92 GLY N . 18943 1 618 . 1 1 65 65 LYS H H 1 8.076 0.01 . 1 . 571 . . 93 LYS H . 18943 1 619 . 1 1 65 65 LYS HA H 1 4.106 0.01 . 1 . 573 . . 93 LYS HA . 18943 1 620 . 1 1 65 65 LYS HB2 H 1 1.535 0.01 . 2 . 576 . . 93 LYS HB2 . 18943 1 621 . 1 1 65 65 LYS HB3 H 1 1.652 0.01 . 2 . 575 . . 93 LYS HB3 . 18943 1 622 . 1 1 65 65 LYS HG2 H 1 1.349 0.01 . 2 . 579 . . 93 LYS HG2 . 18943 1 623 . 1 1 65 65 LYS HG3 H 1 1.467 0.01 . 2 . 578 . . 93 LYS HG3 . 18943 1 624 . 1 1 65 65 LYS HD2 H 1 1.602 0.01 . 1 . 582 . . 93 LYS HD2 . 18943 1 625 . 1 1 65 65 LYS HD3 H 1 1.602 0.01 . 1 . 581 . . 93 LYS HD3 . 18943 1 626 . 1 1 65 65 LYS HE2 H 1 3.018 0.01 . 1 . 585 . . 93 LYS HE2 . 18943 1 627 . 1 1 65 65 LYS HE3 H 1 3.018 0.01 . 1 . 584 . . 93 LYS HE3 . 18943 1 628 . 1 1 65 65 LYS C C 13 176.988 0.1 . 1 . 586 . . 93 LYS C . 18943 1 629 . 1 1 65 65 LYS CA C 13 55.436 0.1 . 1 . 572 . . 93 LYS CA . 18943 1 630 . 1 1 65 65 LYS CB C 13 33.524 0.1 . 1 . 574 . . 93 LYS CB . 18943 1 631 . 1 1 65 65 LYS CG C 13 25.582 0.1 . 1 . 577 . . 93 LYS CG . 18943 1 632 . 1 1 65 65 LYS CD C 13 28.939 0.1 . 1 . 580 . . 93 LYS CD . 18943 1 633 . 1 1 65 65 LYS CE C 13 42.538 0.1 . 1 . 583 . . 93 LYS CE . 18943 1 634 . 1 1 65 65 LYS N N 15 117.118 0.1 . 1 . 570 . . 93 LYS N . 18943 1 635 . 1 1 66 66 VAL H H 1 9.053 0.01 . 1 . 588 . . 94 VAL H . 18943 1 636 . 1 1 66 66 VAL HA H 1 2.929 0.01 . 1 . 590 . . 94 VAL HA . 18943 1 637 . 1 1 66 66 VAL HB H 1 1.564 0.01 . 1 . 592 . . 94 VAL HB . 18943 1 638 . 1 1 66 66 VAL HG11 H 1 0.459 0.01 . 2 . 596 . . 94 VAL HG11 . 18943 1 639 . 1 1 66 66 VAL HG12 H 1 0.459 0.01 . 2 . 596 . . 94 VAL HG12 . 18943 1 640 . 1 1 66 66 VAL HG13 H 1 0.459 0.01 . 2 . 596 . . 94 VAL HG13 . 18943 1 641 . 1 1 66 66 VAL HG21 H 1 0.566 0.01 . 2 . 594 . . 94 VAL HG21 . 18943 1 642 . 1 1 66 66 VAL HG22 H 1 0.566 0.01 . 2 . 594 . . 94 VAL HG22 . 18943 1 643 . 1 1 66 66 VAL HG23 H 1 0.566 0.01 . 2 . 594 . . 94 VAL HG23 . 18943 1 644 . 1 1 66 66 VAL CA C 13 60.980 0.1 . 1 . 589 . . 94 VAL CA . 18943 1 645 . 1 1 66 66 VAL CB C 13 32.628 0.1 . 1 . 591 . . 94 VAL CB . 18943 1 646 . 1 1 66 66 VAL CG1 C 13 21.279 0.1 . 2 . 595 . . 94 VAL CG1 . 18943 1 647 . 1 1 66 66 VAL CG2 C 13 23.236 0.1 . 2 . 593 . . 94 VAL CG2 . 18943 1 648 . 1 1 66 66 VAL N N 15 124.487 0.1 . 1 . 587 . . 94 VAL N . 18943 1 649 . 1 1 67 67 PRO HA H 1 4.334 0.01 . 1 . 598 . . 95 PRO HA . 18943 1 650 . 1 1 67 67 PRO HB2 H 1 1.830 0.01 . 2 . 601 . . 95 PRO HB2 . 18943 1 651 . 1 1 67 67 PRO HB3 H 1 2.318 0.01 . 2 . 600 . . 95 PRO HB3 . 18943 1 652 . 1 1 67 67 PRO HG2 H 1 1.762 0.01 . 2 . 604 . . 95 PRO HG2 . 18943 1 653 . 1 1 67 67 PRO HG3 H 1 1.843 0.01 . 2 . 603 . . 95 PRO HG3 . 18943 1 654 . 1 1 67 67 PRO HD2 H 1 2.825 0.01 . 2 . 607 . . 95 PRO HD2 . 18943 1 655 . 1 1 67 67 PRO HD3 H 1 3.763 0.01 . 2 . 606 . . 95 PRO HD3 . 18943 1 656 . 1 1 67 67 PRO C C 13 176.073 0.1 . 1 . 608 . . 95 PRO C . 18943 1 657 . 1 1 67 67 PRO CA C 13 62.380 0.1 . 1 . 597 . . 95 PRO CA . 18943 1 658 . 1 1 67 67 PRO CB C 13 33.057 0.1 . 1 . 599 . . 95 PRO CB . 18943 1 659 . 1 1 67 67 PRO CG C 13 28.062 0.1 . 1 . 602 . . 95 PRO CG . 18943 1 660 . 1 1 67 67 PRO CD C 13 52.079 0.1 . 1 . 605 . . 95 PRO CD . 18943 1 661 . 1 1 68 68 TYR H H 1 8.329 0.01 . 1 . 610 . . 96 TYR H . 18943 1 662 . 1 1 68 68 TYR HA H 1 4.032 0.01 . 1 . 612 . . 96 TYR HA . 18943 1 663 . 1 1 68 68 TYR HB2 H 1 2.817 0.01 . 2 . 615 . . 96 TYR HB2 . 18943 1 664 . 1 1 68 68 TYR HB3 H 1 3.193 0.01 . 2 . 614 . . 96 TYR HB3 . 18943 1 665 . 1 1 68 68 TYR HD1 H 1 6.922 0.01 . 3 . 616 . . 96 TYR HD1 . 18943 1 666 . 1 1 68 68 TYR HD2 H 1 6.922 0.01 . 3 . 617 . . 96 TYR HD2 . 18943 1 667 . 1 1 68 68 TYR HE1 H 1 6.628 0.01 . 3 . 620 . . 96 TYR HE1 . 18943 1 668 . 1 1 68 68 TYR HE2 H 1 6.628 0.01 . 3 . 621 . . 96 TYR HE2 . 18943 1 669 . 1 1 68 68 TYR C C 13 176.641 0.1 . 1 . 624 . . 96 TYR C . 18943 1 670 . 1 1 68 68 TYR CA C 13 61.924 0.1 . 1 . 611 . . 96 TYR CA . 18943 1 671 . 1 1 68 68 TYR CB C 13 39.677 0.1 . 1 . 613 . . 96 TYR CB . 18943 1 672 . 1 1 68 68 TYR CD1 C 13 134.160 0.1 . 3 . 622 . . 96 TYR CD1 . 18943 1 673 . 1 1 68 68 TYR CD2 C 13 134.160 0.1 . 3 . 623 . . 96 TYR CD2 . 18943 1 674 . 1 1 68 68 TYR CE1 C 13 118.396 0.1 . 3 . 618 . . 96 TYR CE1 . 18943 1 675 . 1 1 68 68 TYR CE2 C 13 118.396 0.1 . 3 . 619 . . 96 TYR CE2 . 18943 1 676 . 1 1 68 68 TYR N N 15 119.951 0.1 . 1 . 609 . . 96 TYR N . 18943 1 677 . 1 1 69 69 ASP H H 1 8.233 0.01 . 1 . 626 . . 97 ASP H . 18943 1 678 . 1 1 69 69 ASP HA H 1 4.561 0.01 . 1 . 628 . . 97 ASP HA . 18943 1 679 . 1 1 69 69 ASP HB2 H 1 2.711 0.01 . 2 . 631 . . 97 ASP HB2 . 18943 1 680 . 1 1 69 69 ASP HB3 H 1 2.787 0.01 . 2 . 630 . . 97 ASP HB3 . 18943 1 681 . 1 1 69 69 ASP C C 13 175.386 0.1 . 1 . 632 . . 97 ASP C . 18943 1 682 . 1 1 69 69 ASP CA C 13 52.920 0.1 . 1 . 627 . . 97 ASP CA . 18943 1 683 . 1 1 69 69 ASP CB C 13 40.065 0.1 . 1 . 629 . . 97 ASP CB . 18943 1 684 . 1 1 69 69 ASP N N 15 113.554 0.1 . 1 . 625 . . 97 ASP N . 18943 1 685 . 1 1 70 70 ALA H H 1 7.208 0.01 . 1 . 634 . . 98 ALA H . 18943 1 686 . 1 1 70 70 ALA HA H 1 3.922 0.01 . 1 . 636 . . 98 ALA HA . 18943 1 687 . 1 1 70 70 ALA HB1 H 1 1.053 0.01 . 1 . 638 . . 98 ALA HB1 . 18943 1 688 . 1 1 70 70 ALA HB2 H 1 1.053 0.01 . 1 . 638 . . 98 ALA HB2 . 18943 1 689 . 1 1 70 70 ALA HB3 H 1 1.053 0.01 . 1 . 638 . . 98 ALA HB3 . 18943 1 690 . 1 1 70 70 ALA C C 13 175.584 0.1 . 1 . 639 . . 98 ALA C . 18943 1 691 . 1 1 70 70 ALA CA C 13 52.808 0.1 . 1 . 635 . . 98 ALA CA . 18943 1 692 . 1 1 70 70 ALA CB C 13 20.444 0.1 . 1 . 637 . . 98 ALA CB . 18943 1 693 . 1 1 70 70 ALA N N 15 121.273 0.1 . 1 . 633 . . 98 ALA N . 18943 1 694 . 1 1 71 71 ILE H H 1 8.471 0.01 . 1 . 641 . . 99 ILE H . 18943 1 695 . 1 1 71 71 ILE HA H 1 4.425 0.01 . 1 . 643 . . 99 ILE HA . 18943 1 696 . 1 1 71 71 ILE HB H 1 1.957 0.01 . 1 . 645 . . 99 ILE HB . 18943 1 697 . 1 1 71 71 ILE HG12 H 1 1.218 0.01 . 2 . 648 . . 99 ILE HG12 . 18943 1 698 . 1 1 71 71 ILE HG13 H 1 1.472 0.01 . 2 . 647 . . 99 ILE HG13 . 18943 1 699 . 1 1 71 71 ILE HG21 H 1 0.648 0.01 . 1 . 652 . . 99 ILE HG21 . 18943 1 700 . 1 1 71 71 ILE HG22 H 1 0.648 0.01 . 1 . 652 . . 99 ILE HG22 . 18943 1 701 . 1 1 71 71 ILE HG23 H 1 0.648 0.01 . 1 . 652 . . 99 ILE HG23 . 18943 1 702 . 1 1 71 71 ILE HD11 H 1 0.746 0.01 . 1 . 650 . . 99 ILE HD11 . 18943 1 703 . 1 1 71 71 ILE HD12 H 1 0.746 0.01 . 1 . 650 . . 99 ILE HD12 . 18943 1 704 . 1 1 71 71 ILE HD13 H 1 0.746 0.01 . 1 . 650 . . 99 ILE HD13 . 18943 1 705 . 1 1 71 71 ILE C C 13 176.205 0.1 . 1 . 653 . . 99 ILE C . 18943 1 706 . 1 1 71 71 ILE CA C 13 59.430 0.1 . 1 . 642 . . 99 ILE CA . 18943 1 707 . 1 1 71 71 ILE CB C 13 36.894 0.1 . 1 . 644 . . 99 ILE CB . 18943 1 708 . 1 1 71 71 ILE CG1 C 13 27.337 0.1 . 1 . 646 . . 99 ILE CG1 . 18943 1 709 . 1 1 71 71 ILE CG2 C 13 20.826 0.1 . 1 . 651 . . 99 ILE CG2 . 18943 1 710 . 1 1 71 71 ILE CD1 C 13 11.535 0.1 . 1 . 649 . . 99 ILE CD1 . 18943 1 711 . 1 1 71 71 ILE N N 15 121.648 0.1 . 1 . 640 . . 99 ILE N . 18943 1 712 . 1 1 72 72 ILE H H 1 8.823 0.01 . 1 . 655 . . 100 ILE H . 18943 1 713 . 1 1 72 72 ILE HA H 1 4.355 0.01 . 1 . 657 . . 100 ILE HA . 18943 1 714 . 1 1 72 72 ILE HB H 1 1.685 0.01 . 1 . 659 . . 100 ILE HB . 18943 1 715 . 1 1 72 72 ILE HG12 H 1 1.020 0.01 . 2 . 662 . . 100 ILE HG12 . 18943 1 716 . 1 1 72 72 ILE HG13 H 1 1.185 0.01 . 2 . 661 . . 100 ILE HG13 . 18943 1 717 . 1 1 72 72 ILE HG21 H 1 0.864 0.01 . 1 . 666 . . 100 ILE HG21 . 18943 1 718 . 1 1 72 72 ILE HG22 H 1 0.864 0.01 . 1 . 666 . . 100 ILE HG22 . 18943 1 719 . 1 1 72 72 ILE HG23 H 1 0.864 0.01 . 1 . 666 . . 100 ILE HG23 . 18943 1 720 . 1 1 72 72 ILE HD11 H 1 0.496 0.01 . 1 . 664 . . 100 ILE HD11 . 18943 1 721 . 1 1 72 72 ILE HD12 H 1 0.496 0.01 . 1 . 664 . . 100 ILE HD12 . 18943 1 722 . 1 1 72 72 ILE HD13 H 1 0.496 0.01 . 1 . 664 . . 100 ILE HD13 . 18943 1 723 . 1 1 72 72 ILE C C 13 174.816 0.1 . 1 . 667 . . 100 ILE C . 18943 1 724 . 1 1 72 72 ILE CA C 13 60.153 0.1 . 1 . 656 . . 100 ILE CA . 18943 1 725 . 1 1 72 72 ILE CB C 13 41.472 0.1 . 1 . 658 . . 100 ILE CB . 18943 1 726 . 1 1 72 72 ILE CG1 C 13 27.062 0.1 . 1 . 660 . . 100 ILE CG1 . 18943 1 727 . 1 1 72 72 ILE CG2 C 13 18.227 0.1 . 1 . 665 . . 100 ILE CG2 . 18943 1 728 . 1 1 72 72 ILE CD1 C 13 12.570 0.1 . 1 . 663 . . 100 ILE CD1 . 18943 1 729 . 1 1 72 72 ILE N N 15 125.772 0.1 . 1 . 654 . . 100 ILE N . 18943 1 730 . 1 1 73 73 SER H H 1 8.279 0.01 . 1 . 669 . . 101 SER H . 18943 1 731 . 1 1 73 73 SER HA H 1 4.422 0.01 . 1 . 671 . . 101 SER HA . 18943 1 732 . 1 1 73 73 SER HB2 H 1 3.917 0.01 . 2 . 674 . . 101 SER HB2 . 18943 1 733 . 1 1 73 73 SER HB3 H 1 3.999 0.01 . 2 . 673 . . 101 SER HB3 . 18943 1 734 . 1 1 73 73 SER C C 13 176.550 0.1 . 1 . 675 . . 101 SER C . 18943 1 735 . 1 1 73 73 SER CA C 13 57.503 0.1 . 1 . 670 . . 101 SER CA . 18943 1 736 . 1 1 73 73 SER CB C 13 64.558 0.1 . 1 . 672 . . 101 SER CB . 18943 1 737 . 1 1 73 73 SER N N 15 118.070 0.1 . 1 . 668 . . 101 SER N . 18943 1 738 . 1 1 74 74 GLU H H 1 9.039 0.01 . 1 . 677 . . 102 GLU H . 18943 1 739 . 1 1 74 74 GLU HA H 1 4.002 0.01 . 1 . 679 . . 102 GLU HA . 18943 1 740 . 1 1 74 74 GLU HB2 H 1 1.883 0.01 . 2 . 682 . . 102 GLU HB2 . 18943 1 741 . 1 1 74 74 GLU HB3 H 1 2.163 0.01 . 2 . 681 . . 102 GLU HB3 . 18943 1 742 . 1 1 74 74 GLU HG2 H 1 2.182 0.01 . 2 . 685 . . 102 GLU HG2 . 18943 1 743 . 1 1 74 74 GLU HG3 H 1 2.477 0.01 . 2 . 684 . . 102 GLU HG3 . 18943 1 744 . 1 1 74 74 GLU C C 13 177.489 0.1 . 1 . 686 . . 102 GLU C . 18943 1 745 . 1 1 74 74 GLU CA C 13 58.307 0.1 . 1 . 678 . . 102 GLU CA . 18943 1 746 . 1 1 74 74 GLU CB C 13 28.765 0.1 . 1 . 680 . . 102 GLU CB . 18943 1 747 . 1 1 74 74 GLU CG C 13 35.330 0.1 . 1 . 683 . . 102 GLU CG . 18943 1 748 . 1 1 74 74 GLU N N 15 126.329 0.1 . 1 . 676 . . 102 GLU N . 18943 1 749 . 1 1 75 75 GLU H H 1 8.555 0.01 . 1 . 688 . . 103 GLU H . 18943 1 750 . 1 1 75 75 GLU HA H 1 4.199 0.01 . 1 . 690 . . 103 GLU HA . 18943 1 751 . 1 1 75 75 GLU HB2 H 1 2.025 0.01 . 2 . 693 . . 103 GLU HB2 . 18943 1 752 . 1 1 75 75 GLU HB3 H 1 2.178 0.01 . 2 . 692 . . 103 GLU HB3 . 18943 1 753 . 1 1 75 75 GLU HG2 H 1 2.236 0.01 . 2 . 696 . . 103 GLU HG2 . 18943 1 754 . 1 1 75 75 GLU HG3 H 1 2.291 0.01 . 2 . 695 . . 103 GLU HG3 . 18943 1 755 . 1 1 75 75 GLU C C 13 177.557 0.1 . 1 . 697 . . 103 GLU C . 18943 1 756 . 1 1 75 75 GLU CA C 13 58.420 0.1 . 1 . 689 . . 103 GLU CA . 18943 1 757 . 1 1 75 75 GLU CB C 13 30.060 0.1 . 1 . 691 . . 103 GLU CB . 18943 1 758 . 1 1 75 75 GLU CG C 13 37.830 0.1 . 1 . 694 . . 103 GLU CG . 18943 1 759 . 1 1 75 75 GLU N N 15 119.945 0.1 . 1 . 687 . . 103 GLU N . 18943 1 760 . 1 1 76 76 LEU H H 1 7.701 0.01 . 1 . 699 . . 104 LEU H . 18943 1 761 . 1 1 76 76 LEU HA H 1 4.553 0.01 . 1 . 701 . . 104 LEU HA . 18943 1 762 . 1 1 76 76 LEU HB2 H 1 1.558 0.01 . 2 . 704 . . 104 LEU HB2 . 18943 1 763 . 1 1 76 76 LEU HB3 H 1 1.798 0.01 . 2 . 703 . . 104 LEU HB3 . 18943 1 764 . 1 1 76 76 LEU HG H 1 1.574 0.01 . 1 . 706 . . 104 LEU HG . 18943 1 765 . 1 1 76 76 LEU HD11 H 1 0.835 0.01 . 2 . 708 . . 104 LEU HD11 . 18943 1 766 . 1 1 76 76 LEU HD12 H 1 0.835 0.01 . 2 . 708 . . 104 LEU HD12 . 18943 1 767 . 1 1 76 76 LEU HD13 H 1 0.835 0.01 . 2 . 708 . . 104 LEU HD13 . 18943 1 768 . 1 1 76 76 LEU HD21 H 1 0.722 0.01 . 2 . 710 . . 104 LEU HD21 . 18943 1 769 . 1 1 76 76 LEU HD22 H 1 0.722 0.01 . 2 . 710 . . 104 LEU HD22 . 18943 1 770 . 1 1 76 76 LEU HD23 H 1 0.722 0.01 . 2 . 710 . . 104 LEU HD23 . 18943 1 771 . 1 1 76 76 LEU C C 13 177.012 0.1 . 1 . 711 . . 104 LEU C . 18943 1 772 . 1 1 76 76 LEU CA C 13 54.680 0.1 . 1 . 700 . . 104 LEU CA . 18943 1 773 . 1 1 76 76 LEU CB C 13 43.158 0.1 . 1 . 702 . . 104 LEU CB . 18943 1 774 . 1 1 76 76 LEU CG C 13 27.602 0.1 . 1 . 705 . . 104 LEU CG . 18943 1 775 . 1 1 76 76 LEU CD1 C 13 23.482 0.1 . 2 . 707 . . 104 LEU CD1 . 18943 1 776 . 1 1 76 76 LEU CD2 C 13 26.432 0.1 . 2 . 709 . . 104 LEU CD2 . 18943 1 777 . 1 1 76 76 LEU N N 15 117.271 0.1 . 1 . 698 . . 104 LEU N . 18943 1 778 . 1 1 77 77 LEU H H 1 7.370 0.01 . 1 . 713 . . 105 LEU H . 18943 1 779 . 1 1 77 77 LEU HA H 1 4.726 0.01 . 1 . 715 . . 105 LEU HA . 18943 1 780 . 1 1 77 77 LEU HB2 H 1 1.415 0.01 . 2 . 718 . . 105 LEU HB2 . 18943 1 781 . 1 1 77 77 LEU HB3 H 1 1.726 0.01 . 2 . 717 . . 105 LEU HB3 . 18943 1 782 . 1 1 77 77 LEU HG H 1 1.712 0.01 . 1 . 720 . . 105 LEU HG . 18943 1 783 . 1 1 77 77 LEU HD11 H 1 0.801 0.01 . 2 . 722 . . 105 LEU HD11 . 18943 1 784 . 1 1 77 77 LEU HD12 H 1 0.801 0.01 . 2 . 722 . . 105 LEU HD12 . 18943 1 785 . 1 1 77 77 LEU HD13 H 1 0.801 0.01 . 2 . 722 . . 105 LEU HD13 . 18943 1 786 . 1 1 77 77 LEU HD21 H 1 0.979 0.01 . 2 . 724 . . 105 LEU HD21 . 18943 1 787 . 1 1 77 77 LEU HD22 H 1 0.979 0.01 . 2 . 724 . . 105 LEU HD22 . 18943 1 788 . 1 1 77 77 LEU HD23 H 1 0.979 0.01 . 2 . 724 . . 105 LEU HD23 . 18943 1 789 . 1 1 77 77 LEU C C 13 178.178 0.1 . 1 . 725 . . 105 LEU C . 18943 1 790 . 1 1 77 77 LEU CA C 13 55.177 0.1 . 1 . 714 . . 105 LEU CA . 18943 1 791 . 1 1 77 77 LEU CB C 13 42.607 0.1 . 1 . 716 . . 105 LEU CB . 18943 1 792 . 1 1 77 77 LEU CG C 13 27.367 0.1 . 1 . 719 . . 105 LEU CG . 18943 1 793 . 1 1 77 77 LEU CD1 C 13 23.475 0.1 . 2 . 721 . . 105 LEU CD1 . 18943 1 794 . 1 1 77 77 LEU CD2 C 13 25.616 0.1 . 2 . 723 . . 105 LEU CD2 . 18943 1 795 . 1 1 77 77 LEU N N 15 118.795 0.1 . 1 . 712 . . 105 LEU N . 18943 1 796 . 1 1 78 78 MET H H 1 8.596 0.01 . 1 . 727 . . 106 MET H . 18943 1 797 . 1 1 78 78 MET HA H 1 4.484 0.01 . 1 . 729 . . 106 MET HA . 18943 1 798 . 1 1 78 78 MET HB2 H 1 1.532 0.01 . 2 . 732 . . 106 MET HB2 . 18943 1 799 . 1 1 78 78 MET HB3 H 1 1.967 0.01 . 2 . 731 . . 106 MET HB3 . 18943 1 800 . 1 1 78 78 MET HG2 H 1 1.942 0.01 . 2 . 735 . . 106 MET HG2 . 18943 1 801 . 1 1 78 78 MET HG3 H 1 2.360 0.01 . 2 . 734 . . 106 MET HG3 . 18943 1 802 . 1 1 78 78 MET HE1 H 1 0.658 0.01 . 1 . 737 . . 106 MET HE1 . 18943 1 803 . 1 1 78 78 MET HE2 H 1 0.658 0.01 . 1 . 737 . . 106 MET HE2 . 18943 1 804 . 1 1 78 78 MET HE3 H 1 0.658 0.01 . 1 . 737 . . 106 MET HE3 . 18943 1 805 . 1 1 78 78 MET C C 13 175.203 0.1 . 1 . 738 . . 106 MET C . 18943 1 806 . 1 1 78 78 MET CA C 13 55.021 0.1 . 1 . 728 . . 106 MET CA . 18943 1 807 . 1 1 78 78 MET CB C 13 29.822 0.1 . 1 . 730 . . 106 MET CB . 18943 1 808 . 1 1 78 78 MET CG C 13 31.478 0.1 . 1 . 733 . . 106 MET CG . 18943 1 809 . 1 1 78 78 MET CE C 13 14.780 0.1 . 1 . 736 . . 106 MET CE . 18943 1 810 . 1 1 78 78 MET N N 15 122.575 0.1 . 1 . 726 . . 106 MET N . 18943 1 811 . 1 1 79 79 LYS H H 1 8.809 0.01 . 1 . 740 . . 107 LYS H . 18943 1 812 . 1 1 79 79 LYS HA H 1 4.525 0.01 . 1 . 742 . . 107 LYS HA . 18943 1 813 . 1 1 79 79 LYS HB2 H 1 1.642 0.01 . 2 . 745 . . 107 LYS HB2 . 18943 1 814 . 1 1 79 79 LYS HB3 H 1 1.984 0.01 . 2 . 744 . . 107 LYS HB3 . 18943 1 815 . 1 1 79 79 LYS HG2 H 1 1.343 0.01 . 2 . 748 . . 107 LYS HG2 . 18943 1 816 . 1 1 79 79 LYS HG3 H 1 1.426 0.01 . 2 . 747 . . 107 LYS HG3 . 18943 1 817 . 1 1 79 79 LYS C C 13 175.943 0.1 . 1 . 751 . . 107 LYS C . 18943 1 818 . 1 1 79 79 LYS CA C 13 55.442 0.1 . 1 . 741 . . 107 LYS CA . 18943 1 819 . 1 1 79 79 LYS CB C 13 33.780 0.1 . 1 . 743 . . 107 LYS CB . 18943 1 820 . 1 1 79 79 LYS CG C 13 24.571 0.1 . 1 . 746 . . 107 LYS CG . 18943 1 821 . 1 1 79 79 LYS CD C 13 29.119 0.1 . 1 . 749 . . 107 LYS CD . 18943 1 822 . 1 1 79 79 LYS CE C 13 42.141 0.1 . 1 . 750 . . 107 LYS CE . 18943 1 823 . 1 1 79 79 LYS N N 15 129.143 0.1 . 1 . 739 . . 107 LYS N . 18943 1 824 . 1 1 80 80 ASP H H 1 6.959 0.01 . 1 . 753 . . 108 ASP H . 18943 1 825 . 1 1 80 80 ASP HA H 1 4.751 0.01 . 1 . 755 . . 108 ASP HA . 18943 1 826 . 1 1 80 80 ASP HB2 H 1 2.621 0.01 . 2 . 758 . . 108 ASP HB2 . 18943 1 827 . 1 1 80 80 ASP HB3 H 1 3.097 0.01 . 2 . 757 . . 108 ASP HB3 . 18943 1 828 . 1 1 80 80 ASP CA C 13 52.066 0.1 . 1 . 754 . . 108 ASP CA . 18943 1 829 . 1 1 80 80 ASP CB C 13 42.048 0.1 . 1 . 756 . . 108 ASP CB . 18943 1 830 . 1 1 80 80 ASP N N 15 122.355 0.1 . 1 . 752 . . 108 ASP N . 18943 1 831 . 1 1 81 81 PRO HA H 1 4.474 0.01 . 1 . 760 . . 109 PRO HA . 18943 1 832 . 1 1 81 81 PRO HB2 H 1 1.993 0.01 . 2 . 763 . . 109 PRO HB2 . 18943 1 833 . 1 1 81 81 PRO HB3 H 1 2.359 0.01 . 2 . 762 . . 109 PRO HB3 . 18943 1 834 . 1 1 81 81 PRO HG2 H 1 1.943 0.01 . 2 . 766 . . 109 PRO HG2 . 18943 1 835 . 1 1 81 81 PRO HG3 H 1 2.072 0.01 . 2 . 765 . . 109 PRO HG3 . 18943 1 836 . 1 1 81 81 PRO HD2 H 1 4.025 0.01 . 2 . 769 . . 109 PRO HD2 . 18943 1 837 . 1 1 81 81 PRO HD3 H 1 4.113 0.01 . 2 . 768 . . 109 PRO HD3 . 18943 1 838 . 1 1 81 81 PRO C C 13 177.170 0.1 . 1 . 770 . . 109 PRO C . 18943 1 839 . 1 1 81 81 PRO CA C 13 64.050 0.1 . 1 . 759 . . 109 PRO CA . 18943 1 840 . 1 1 81 81 PRO CB C 13 32.145 0.1 . 1 . 761 . . 109 PRO CB . 18943 1 841 . 1 1 81 81 PRO CG C 13 26.882 0.1 . 1 . 764 . . 109 PRO CG . 18943 1 842 . 1 1 81 81 PRO CD C 13 51.243 0.1 . 1 . 767 . . 109 PRO CD . 18943 1 843 . 1 1 82 82 ASN H H 1 8.553 0.01 . 1 . 772 . . 110 ASN H . 18943 1 844 . 1 1 82 82 ASN HA H 1 4.661 0.01 . 1 . 774 . . 110 ASN HA . 18943 1 845 . 1 1 82 82 ASN HB2 H 1 2.757 0.01 . 2 . 777 . . 110 ASN HB2 . 18943 1 846 . 1 1 82 82 ASN HB3 H 1 2.840 0.01 . 2 . 776 . . 110 ASN HB3 . 18943 1 847 . 1 1 82 82 ASN C C 13 175.364 0.1 . 1 . 778 . . 110 ASN C . 18943 1 848 . 1 1 82 82 ASN CA C 13 53.195 0.1 . 1 . 773 . . 110 ASN CA . 18943 1 849 . 1 1 82 82 ASN CB C 13 39.046 0.1 . 1 . 775 . . 110 ASN CB . 18943 1 850 . 1 1 82 82 ASN N N 15 115.254 0.1 . 1 . 771 . . 110 ASN N . 18943 1 851 . 1 1 83 83 TYR H H 1 7.440 0.01 . 1 . 780 . . 111 TYR H . 18943 1 852 . 1 1 83 83 TYR HA H 1 4.124 0.01 . 1 . 782 . . 111 TYR HA . 18943 1 853 . 1 1 83 83 TYR HB2 H 1 2.788 0.01 . 2 . 785 . . 111 TYR HB2 . 18943 1 854 . 1 1 83 83 TYR HB3 H 1 3.074 0.01 . 2 . 784 . . 111 TYR HB3 . 18943 1 855 . 1 1 83 83 TYR HD1 H 1 6.819 0.01 . 3 . 786 . . 111 TYR HD1 . 18943 1 856 . 1 1 83 83 TYR HD2 H 1 6.819 0.01 . 3 . 787 . . 111 TYR HD2 . 18943 1 857 . 1 1 83 83 TYR HE1 H 1 6.254 0.01 . 3 . 788 . . 111 TYR HE1 . 18943 1 858 . 1 1 83 83 TYR HE2 H 1 6.254 0.01 . 3 . 789 . . 111 TYR HE2 . 18943 1 859 . 1 1 83 83 TYR C C 13 174.562 0.1 . 1 . 794 . . 111 TYR C . 18943 1 860 . 1 1 83 83 TYR CA C 13 59.977 0.1 . 1 . 781 . . 111 TYR CA . 18943 1 861 . 1 1 83 83 TYR CB C 13 38.998 0.1 . 1 . 783 . . 111 TYR CB . 18943 1 862 . 1 1 83 83 TYR CD1 C 13 132.915 0.1 . 3 . 792 . . 111 TYR CD1 . 18943 1 863 . 1 1 83 83 TYR CD2 C 13 132.915 0.1 . 3 . 793 . . 111 TYR CD2 . 18943 1 864 . 1 1 83 83 TYR CE1 C 13 118.977 0.1 . 3 . 790 . . 111 TYR CE1 . 18943 1 865 . 1 1 83 83 TYR CE2 C 13 118.977 0.1 . 3 . 791 . . 111 TYR CE2 . 18943 1 866 . 1 1 83 83 TYR N N 15 121.757 0.1 . 1 . 779 . . 111 TYR N . 18943 1 867 . 1 1 84 84 GLN H H 1 7.093 0.01 . 1 . 796 . . 112 GLN H . 18943 1 868 . 1 1 84 84 GLN HA H 1 4.111 0.01 . 1 . 798 . . 112 GLN HA . 18943 1 869 . 1 1 84 84 GLN HB2 H 1 1.541 0.01 . 2 . 801 . . 112 GLN HB2 . 18943 1 870 . 1 1 84 84 GLN HB3 H 1 1.666 0.01 . 2 . 800 . . 112 GLN HB3 . 18943 1 871 . 1 1 84 84 GLN HG2 H 1 2.084 0.01 . 2 . 804 . . 112 GLN HG2 . 18943 1 872 . 1 1 84 84 GLN HG3 H 1 2.136 0.01 . 2 . 803 . . 112 GLN HG3 . 18943 1 873 . 1 1 84 84 GLN C C 13 172.942 0.1 . 1 . 805 . . 112 GLN C . 18943 1 874 . 1 1 84 84 GLN CA C 13 53.098 0.1 . 1 . 797 . . 112 GLN CA . 18943 1 875 . 1 1 84 84 GLN CB C 13 30.269 0.1 . 1 . 799 . . 112 GLN CB . 18943 1 876 . 1 1 84 84 GLN CG C 13 33.408 0.1 . 1 . 802 . . 112 GLN CG . 18943 1 877 . 1 1 84 84 GLN N N 15 128.529 0.1 . 1 . 795 . . 112 GLN N . 18943 1 878 . 1 1 85 85 LEU H H 1 7.714 0.01 . 1 . 807 . . 113 LEU H . 18943 1 879 . 1 1 85 85 LEU HA H 1 3.753 0.01 . 1 . 809 . . 113 LEU HA . 18943 1 880 . 1 1 85 85 LEU HB2 H 1 0.704 0.01 . 2 . 812 . . 113 LEU HB2 . 18943 1 881 . 1 1 85 85 LEU HB3 H 1 1.364 0.01 . 2 . 811 . . 113 LEU HB3 . 18943 1 882 . 1 1 85 85 LEU HG H 1 1.009 0.01 . 1 . 814 . . 113 LEU HG . 18943 1 883 . 1 1 85 85 LEU HD11 H 1 0.415 0.01 . 2 . 816 . . 113 LEU HD11 . 18943 1 884 . 1 1 85 85 LEU HD12 H 1 0.415 0.01 . 2 . 816 . . 113 LEU HD12 . 18943 1 885 . 1 1 85 85 LEU HD13 H 1 0.415 0.01 . 2 . 816 . . 113 LEU HD13 . 18943 1 886 . 1 1 85 85 LEU HD21 H 1 0.514 0.01 . 2 . 818 . . 113 LEU HD21 . 18943 1 887 . 1 1 85 85 LEU HD22 H 1 0.514 0.01 . 2 . 818 . . 113 LEU HD22 . 18943 1 888 . 1 1 85 85 LEU HD23 H 1 0.514 0.01 . 2 . 818 . . 113 LEU HD23 . 18943 1 889 . 1 1 85 85 LEU C C 13 176.292 0.1 . 1 . 819 . . 113 LEU C . 18943 1 890 . 1 1 85 85 LEU CA C 13 55.987 0.1 . 1 . 808 . . 113 LEU CA . 18943 1 891 . 1 1 85 85 LEU CB C 13 41.682 0.1 . 1 . 810 . . 113 LEU CB . 18943 1 892 . 1 1 85 85 LEU CG C 13 26.354 0.1 . 1 . 813 . . 113 LEU CG . 18943 1 893 . 1 1 85 85 LEU CD1 C 13 23.260 0.1 . 2 . 815 . . 113 LEU CD1 . 18943 1 894 . 1 1 85 85 LEU CD2 C 13 26.151 0.1 . 2 . 817 . . 113 LEU CD2 . 18943 1 895 . 1 1 85 85 LEU N N 15 124.987 0.1 . 1 . 806 . . 113 LEU N . 18943 1 896 . 1 1 86 86 LYS H H 1 6.761 0.01 . 1 . 821 . . 114 LYS H . 18943 1 897 . 1 1 86 86 LYS HA H 1 4.579 0.01 . 1 . 823 . . 114 LYS HA . 18943 1 898 . 1 1 86 86 LYS HB2 H 1 1.634 0.01 . 2 . 826 . . 114 LYS HB2 . 18943 1 899 . 1 1 86 86 LYS HB3 H 1 1.734 0.01 . 2 . 825 . . 114 LYS HB3 . 18943 1 900 . 1 1 86 86 LYS HG2 H 1 1.343 0.01 . 1 . 829 . . 114 LYS HG2 . 18943 1 901 . 1 1 86 86 LYS HG3 H 1 1.343 0.01 . 1 . 828 . . 114 LYS HG3 . 18943 1 902 . 1 1 86 86 LYS HD2 H 1 1.622 0.01 . 2 . 832 . . 114 LYS HD2 . 18943 1 903 . 1 1 86 86 LYS HD3 H 1 1.678 0.01 . 2 . 831 . . 114 LYS HD3 . 18943 1 904 . 1 1 86 86 LYS C C 13 176.806 0.1 . 1 . 833 . . 114 LYS C . 18943 1 905 . 1 1 86 86 LYS CA C 13 53.887 0.1 . 1 . 822 . . 114 LYS CA . 18943 1 906 . 1 1 86 86 LYS CB C 13 34.685 0.1 . 1 . 824 . . 114 LYS CB . 18943 1 907 . 1 1 86 86 LYS CG C 13 23.380 0.1 . 1 . 827 . . 114 LYS CG . 18943 1 908 . 1 1 86 86 LYS CD C 13 28.937 0.1 . 1 . 830 . . 114 LYS CD . 18943 1 909 . 1 1 86 86 LYS N N 15 124.478 0.1 . 1 . 820 . . 114 LYS N . 18943 1 910 . 1 1 87 87 ASP H H 1 8.632 0.01 . 1 . 835 . . 115 ASP H . 18943 1 911 . 1 1 87 87 ASP HA H 1 4.085 0.01 . 1 . 837 . . 115 ASP HA . 18943 1 912 . 1 1 87 87 ASP HB2 H 1 2.571 0.01 . 1 . 840 . . 115 ASP HB2 . 18943 1 913 . 1 1 87 87 ASP HB3 H 1 2.571 0.01 . 1 . 839 . . 115 ASP HB3 . 18943 1 914 . 1 1 87 87 ASP C C 13 178.654 0.1 . 1 . 841 . . 115 ASP C . 18943 1 915 . 1 1 87 87 ASP CA C 13 57.538 0.1 . 1 . 836 . . 115 ASP CA . 18943 1 916 . 1 1 87 87 ASP CB C 13 39.981 0.1 . 1 . 838 . . 115 ASP CB . 18943 1 917 . 1 1 87 87 ASP N N 15 123.392 0.1 . 1 . 834 . . 115 ASP N . 18943 1 918 . 1 1 88 88 SER H H 1 8.054 0.01 . 1 . 843 . . 116 SER H . 18943 1 919 . 1 1 88 88 SER HA H 1 4.172 0.01 . 1 . 845 . . 116 SER HA . 18943 1 920 . 1 1 88 88 SER HB2 H 1 3.822 0.01 . 2 . 848 . . 116 SER HB2 . 18943 1 921 . 1 1 88 88 SER HB3 H 1 4.057 0.01 . 2 . 847 . . 116 SER HB3 . 18943 1 922 . 1 1 88 88 SER C C 13 175.082 0.1 . 1 . 849 . . 116 SER C . 18943 1 923 . 1 1 88 88 SER CA C 13 59.927 0.1 . 1 . 844 . . 116 SER CA . 18943 1 924 . 1 1 88 88 SER CB C 13 62.619 0.1 . 1 . 846 . . 116 SER CB . 18943 1 925 . 1 1 88 88 SER N N 15 111.402 0.1 . 1 . 842 . . 116 SER N . 18943 1 926 . 1 1 89 89 ASP H H 1 7.696 0.01 . 1 . 851 . . 117 ASP H . 18943 1 927 . 1 1 89 89 ASP HA H 1 4.779 0.01 . 1 . 853 . . 117 ASP HA . 18943 1 928 . 1 1 89 89 ASP HB2 H 1 2.765 0.01 . 2 . 856 . . 117 ASP HB2 . 18943 1 929 . 1 1 89 89 ASP HB3 H 1 2.804 0.01 . 2 . 855 . . 117 ASP HB3 . 18943 1 930 . 1 1 89 89 ASP C C 13 176.467 0.1 . 1 . 857 . . 117 ASP C . 18943 1 931 . 1 1 89 89 ASP CA C 13 54.925 0.1 . 1 . 852 . . 117 ASP CA . 18943 1 932 . 1 1 89 89 ASP CB C 13 41.095 0.1 . 1 . 854 . . 117 ASP CB . 18943 1 933 . 1 1 89 89 ASP N N 15 121.033 0.1 . 1 . 850 . . 117 ASP N . 18943 1 934 . 1 1 90 90 ILE H H 1 7.157 0.01 . 1 . 859 . . 118 ILE H . 18943 1 935 . 1 1 90 90 ILE HA H 1 3.655 0.01 . 1 . 861 . . 118 ILE HA . 18943 1 936 . 1 1 90 90 ILE HB H 1 1.799 0.01 . 1 . 863 . . 118 ILE HB . 18943 1 937 . 1 1 90 90 ILE HG12 H 1 0.193 0.01 . 2 . 866 . . 118 ILE HG12 . 18943 1 938 . 1 1 90 90 ILE HG13 H 1 1.570 0.01 . 2 . 865 . . 118 ILE HG13 . 18943 1 939 . 1 1 90 90 ILE HG21 H 1 0.770 0.01 . 1 . 870 . . 118 ILE HG21 . 18943 1 940 . 1 1 90 90 ILE HG22 H 1 0.770 0.01 . 1 . 870 . . 118 ILE HG22 . 18943 1 941 . 1 1 90 90 ILE HG23 H 1 0.770 0.01 . 1 . 870 . . 118 ILE HG23 . 18943 1 942 . 1 1 90 90 ILE HD11 H 1 0.229 0.01 . 1 . 868 . . 118 ILE HD11 . 18943 1 943 . 1 1 90 90 ILE HD12 H 1 0.229 0.01 . 1 . 868 . . 118 ILE HD12 . 18943 1 944 . 1 1 90 90 ILE HD13 H 1 0.229 0.01 . 1 . 868 . . 118 ILE HD13 . 18943 1 945 . 1 1 90 90 ILE C C 13 176.106 0.1 . 1 . 871 . . 118 ILE C . 18943 1 946 . 1 1 90 90 ILE CA C 13 64.587 0.1 . 1 . 860 . . 118 ILE CA . 18943 1 947 . 1 1 90 90 ILE CB C 13 39.127 0.1 . 1 . 862 . . 118 ILE CB . 18943 1 948 . 1 1 90 90 ILE CG1 C 13 28.658 0.1 . 1 . 864 . . 118 ILE CG1 . 18943 1 949 . 1 1 90 90 ILE CG2 C 13 17.405 0.1 . 1 . 869 . . 118 ILE CG2 . 18943 1 950 . 1 1 90 90 ILE CD1 C 13 12.942 0.1 . 1 . 867 . . 118 ILE CD1 . 18943 1 951 . 1 1 90 90 ILE N N 15 118.717 0.1 . 1 . 858 . . 118 ILE N . 18943 1 952 . 1 1 91 91 VAL H H 1 9.488 0.01 . 1 . 873 . . 119 VAL H . 18943 1 953 . 1 1 91 91 VAL HA H 1 4.112 0.01 . 1 . 875 . . 119 VAL HA . 18943 1 954 . 1 1 91 91 VAL HB H 1 1.976 0.01 . 1 . 877 . . 119 VAL HB . 18943 1 955 . 1 1 91 91 VAL HG11 H 1 1.220 0.01 . 2 . 881 . . 119 VAL HG11 . 18943 1 956 . 1 1 91 91 VAL HG12 H 1 1.220 0.01 . 2 . 881 . . 119 VAL HG12 . 18943 1 957 . 1 1 91 91 VAL HG13 H 1 1.220 0.01 . 2 . 881 . . 119 VAL HG13 . 18943 1 958 . 1 1 91 91 VAL HG21 H 1 1.094 0.01 . 2 . 879 . . 119 VAL HG21 . 18943 1 959 . 1 1 91 91 VAL HG22 H 1 1.094 0.01 . 2 . 879 . . 119 VAL HG22 . 18943 1 960 . 1 1 91 91 VAL HG23 H 1 1.094 0.01 . 2 . 879 . . 119 VAL HG23 . 18943 1 961 . 1 1 91 91 VAL C C 13 176.379 0.1 . 1 . 882 . . 119 VAL C . 18943 1 962 . 1 1 91 91 VAL CA C 13 64.431 0.1 . 1 . 874 . . 119 VAL CA . 18943 1 963 . 1 1 91 91 VAL CB C 13 32.757 0.1 . 1 . 876 . . 119 VAL CB . 18943 1 964 . 1 1 91 91 VAL CG1 C 13 20.816 0.1 . 2 . 880 . . 119 VAL CG1 . 18943 1 965 . 1 1 91 91 VAL CG2 C 13 22.094 0.1 . 2 . 878 . . 119 VAL CG2 . 18943 1 966 . 1 1 91 91 VAL N N 15 130.723 0.1 . 1 . 872 . . 119 VAL N . 18943 1 967 . 1 1 92 92 ASN H H 1 7.702 0.01 . 1 . 884 . . 120 ASN H . 18943 1 968 . 1 1 92 92 ASN HA H 1 4.949 0.01 . 1 . 886 . . 120 ASN HA . 18943 1 969 . 1 1 92 92 ASN HB2 H 1 2.896 0.01 . 2 . 889 . . 120 ASN HB2 . 18943 1 970 . 1 1 92 92 ASN HB3 H 1 3.070 0.01 . 2 . 888 . . 120 ASN HB3 . 18943 1 971 . 1 1 92 92 ASN HD21 H 1 6.614 0.01 . 1 . 891 . . 120 ASN HD21 . 18943 1 972 . 1 1 92 92 ASN HD22 H 1 5.897 0.01 . 1 . 892 . . 120 ASN HD22 . 18943 1 973 . 1 1 92 92 ASN C C 13 172.909 0.1 . 1 . 893 . . 120 ASN C . 18943 1 974 . 1 1 92 92 ASN CA C 13 53.764 0.1 . 1 . 885 . . 120 ASN CA . 18943 1 975 . 1 1 92 92 ASN CB C 13 40.496 0.1 . 1 . 887 . . 120 ASN CB . 18943 1 976 . 1 1 92 92 ASN N N 15 110.572 0.1 . 1 . 883 . . 120 ASN N . 18943 1 977 . 1 1 92 92 ASN ND2 N 15 112.060 0.1 . 1 . 890 . . 120 ASN ND2 . 18943 1 978 . 1 1 93 93 GLU H H 1 9.202 0.01 . 1 . 895 . . 121 GLU H . 18943 1 979 . 1 1 93 93 GLU HA H 1 4.809 0.01 . 1 . 897 . . 121 GLU HA . 18943 1 980 . 1 1 93 93 GLU HB2 H 1 2.221 0.01 . 1 . 900 . . 121 GLU HB2 . 18943 1 981 . 1 1 93 93 GLU HB3 H 1 2.221 0.01 . 1 . 899 . . 121 GLU HB3 . 18943 1 982 . 1 1 93 93 GLU HG2 H 1 2.523 0.01 . 2 . 903 . . 121 GLU HG2 . 18943 1 983 . 1 1 93 93 GLU HG3 H 1 2.470 0.01 . 2 . 902 . . 121 GLU HG3 . 18943 1 984 . 1 1 93 93 GLU C C 13 175.785 0.1 . 1 . 904 . . 121 GLU C . 18943 1 985 . 1 1 93 93 GLU CA C 13 57.216 0.1 . 1 . 896 . . 121 GLU CA . 18943 1 986 . 1 1 93 93 GLU CB C 13 31.566 0.1 . 1 . 898 . . 121 GLU CB . 18943 1 987 . 1 1 93 93 GLU CG C 13 37.159 0.1 . 1 . 901 . . 121 GLU CG . 18943 1 988 . 1 1 93 93 GLU N N 15 121.645 0.1 . 1 . 894 . . 121 GLU N . 18943 1 989 . 1 1 94 94 ILE H H 1 8.070 0.01 . 1 . 906 . . 122 ILE H . 18943 1 990 . 1 1 94 94 ILE HA H 1 4.263 0.01 . 1 . 908 . . 122 ILE HA . 18943 1 991 . 1 1 94 94 ILE HB H 1 1.635 0.01 . 1 . 910 . . 122 ILE HB . 18943 1 992 . 1 1 94 94 ILE HG12 H 1 0.427 0.01 . 2 . 913 . . 122 ILE HG12 . 18943 1 993 . 1 1 94 94 ILE HG13 H 1 0.786 0.01 . 2 . 912 . . 122 ILE HG13 . 18943 1 994 . 1 1 94 94 ILE HG21 H 1 0.539 0.01 . 1 . 917 . . 122 ILE HG21 . 18943 1 995 . 1 1 94 94 ILE HG22 H 1 0.539 0.01 . 1 . 917 . . 122 ILE HG22 . 18943 1 996 . 1 1 94 94 ILE HG23 H 1 0.539 0.01 . 1 . 917 . . 122 ILE HG23 . 18943 1 997 . 1 1 94 94 ILE HD11 H 1 0.470 0.01 . 1 . 915 . . 122 ILE HD11 . 18943 1 998 . 1 1 94 94 ILE HD12 H 1 0.470 0.01 . 1 . 915 . . 122 ILE HD12 . 18943 1 999 . 1 1 94 94 ILE HD13 H 1 0.470 0.01 . 1 . 915 . . 122 ILE HD13 . 18943 1 1000 . 1 1 94 94 ILE C C 13 174.301 0.1 . 1 . 918 . . 122 ILE C . 18943 1 1001 . 1 1 94 94 ILE CA C 13 59.823 0.1 . 1 . 907 . . 122 ILE CA . 18943 1 1002 . 1 1 94 94 ILE CB C 13 42.512 0.1 . 1 . 909 . . 122 ILE CB . 18943 1 1003 . 1 1 94 94 ILE CG1 C 13 25.728 0.1 . 1 . 911 . . 122 ILE CG1 . 18943 1 1004 . 1 1 94 94 ILE CG2 C 13 18.489 0.1 . 1 . 916 . . 122 ILE CG2 . 18943 1 1005 . 1 1 94 94 ILE CD1 C 13 14.599 0.1 . 1 . 914 . . 122 ILE CD1 . 18943 1 1006 . 1 1 94 94 ILE N N 15 117.810 0.1 . 1 . 905 . . 122 ILE N . 18943 1 1007 . 1 1 95 95 LYS H H 1 7.174 0.01 . 1 . 920 . . 123 LYS H . 18943 1 1008 . 1 1 95 95 LYS HA H 1 3.308 0.01 . 1 . 922 . . 123 LYS HA . 18943 1 1009 . 1 1 95 95 LYS HB2 H 1 1.030 0.01 . 2 . 925 . . 123 LYS HB2 . 18943 1 1010 . 1 1 95 95 LYS HB3 H 1 1.501 0.01 . 2 . 924 . . 123 LYS HB3 . 18943 1 1011 . 1 1 95 95 LYS HG2 H 1 1.140 0.01 . 2 . 928 . . 123 LYS HG2 . 18943 1 1012 . 1 1 95 95 LYS HG3 H 1 1.306 0.01 . 2 . 927 . . 123 LYS HG3 . 18943 1 1013 . 1 1 95 95 LYS HD2 H 1 1.577 0.01 . 2 . 931 . . 123 LYS HD2 . 18943 1 1014 . 1 1 95 95 LYS HD3 H 1 1.683 0.01 . 2 . 930 . . 123 LYS HD3 . 18943 1 1015 . 1 1 95 95 LYS HE2 H 1 2.912 0.01 . 1 . 934 . . 123 LYS HE2 . 18943 1 1016 . 1 1 95 95 LYS HE3 H 1 2.912 0.01 . 1 . 933 . . 123 LYS HE3 . 18943 1 1017 . 1 1 95 95 LYS C C 13 176.512 0.1 . 1 . 935 . . 123 LYS C . 18943 1 1018 . 1 1 95 95 LYS CA C 13 59.110 0.1 . 1 . 921 . . 123 LYS CA . 18943 1 1019 . 1 1 95 95 LYS CB C 13 31.243 0.1 . 1 . 923 . . 123 LYS CB . 18943 1 1020 . 1 1 95 95 LYS CG C 13 24.468 0.1 . 1 . 926 . . 123 LYS CG . 18943 1 1021 . 1 1 95 95 LYS CD C 13 29.698 0.1 . 1 . 929 . . 123 LYS CD . 18943 1 1022 . 1 1 95 95 LYS CE C 13 41.860 0.1 . 1 . 932 . . 123 LYS CE . 18943 1 1023 . 1 1 95 95 LYS N N 15 122.364 0.1 . 1 . 919 . . 123 LYS N . 18943 1 1024 . 1 1 96 96 GLY H H 1 8.428 0.01 . 1 . 937 . . 124 GLY H . 18943 1 1025 . 1 1 96 96 GLY HA2 H 1 3.706 0.01 . 2 . 940 . . 124 GLY HA2 . 18943 1 1026 . 1 1 96 96 GLY HA3 H 1 4.165 0.01 . 2 . 939 . . 124 GLY HA3 . 18943 1 1027 . 1 1 96 96 GLY C C 13 175.280 0.1 . 1 . 941 . . 124 GLY C . 18943 1 1028 . 1 1 96 96 GLY CA C 13 45.503 0.1 . 1 . 938 . . 124 GLY CA . 18943 1 1029 . 1 1 96 96 GLY N N 15 113.022 0.1 . 1 . 936 . . 124 GLY N . 18943 1 1030 . 1 1 97 97 GLY H H 1 7.995 0.01 . 1 . 943 . . 125 GLY H . 18943 1 1031 . 1 1 97 97 GLY HA2 H 1 3.587 0.01 . 2 . 946 . . 125 GLY HA2 . 18943 1 1032 . 1 1 97 97 GLY HA3 H 1 4.748 0.01 . 2 . 945 . . 125 GLY HA3 . 18943 1 1033 . 1 1 97 97 GLY C C 13 171.068 0.1 . 1 . 947 . . 125 GLY C . 18943 1 1034 . 1 1 97 97 GLY CA C 13 46.783 0.1 . 1 . 944 . . 125 GLY CA . 18943 1 1035 . 1 1 97 97 GLY N N 15 108.626 0.1 . 1 . 942 . . 125 GLY N . 18943 1 1036 . 1 1 98 98 TYR H H 1 9.318 0.01 . 1 . 949 . . 126 TYR H . 18943 1 1037 . 1 1 98 98 TYR HA H 1 5.372 0.01 . 1 . 951 . . 126 TYR HA . 18943 1 1038 . 1 1 98 98 TYR HB2 H 1 2.427 0.01 . 2 . 954 . . 126 TYR HB2 . 18943 1 1039 . 1 1 98 98 TYR HB3 H 1 3.282 0.01 . 2 . 953 . . 126 TYR HB3 . 18943 1 1040 . 1 1 98 98 TYR HD1 H 1 6.960 0.01 . 3 . 961 . . 126 TYR HD1 . 18943 1 1041 . 1 1 98 98 TYR HD2 H 1 6.960 0.01 . 3 . 962 . . 126 TYR HD2 . 18943 1 1042 . 1 1 98 98 TYR HE1 H 1 6.818 0.01 . 3 . 957 . . 126 TYR HE1 . 18943 1 1043 . 1 1 98 98 TYR HE2 H 1 6.818 0.01 . 3 . 958 . . 126 TYR HE2 . 18943 1 1044 . 1 1 98 98 TYR C C 13 175.671 0.1 . 1 . 963 . . 126 TYR C . 18943 1 1045 . 1 1 98 98 TYR CA C 13 56.858 0.1 . 1 . 950 . . 126 TYR CA . 18943 1 1046 . 1 1 98 98 TYR CB C 13 44.162 0.1 . 1 . 952 . . 126 TYR CB . 18943 1 1047 . 1 1 98 98 TYR CD1 C 13 134.473 0.1 . 3 . 959 . . 126 TYR CD1 . 18943 1 1048 . 1 1 98 98 TYR CD2 C 13 134.473 0.1 . 3 . 960 . . 126 TYR CD2 . 18943 1 1049 . 1 1 98 98 TYR CE1 C 13 118.669 0.1 . 3 . 955 . . 126 TYR CE1 . 18943 1 1050 . 1 1 98 98 TYR CE2 C 13 118.669 0.1 . 3 . 956 . . 126 TYR CE2 . 18943 1 1051 . 1 1 98 98 TYR N N 15 119.459 0.1 . 1 . 948 . . 126 TYR N . 18943 1 1052 . 1 1 99 99 VAL H H 1 9.022 0.01 . 1 . 965 . . 127 VAL H . 18943 1 1053 . 1 1 99 99 VAL HA H 1 4.720 0.01 . 1 . 967 . . 127 VAL HA . 18943 1 1054 . 1 1 99 99 VAL HB H 1 2.145 0.01 . 1 . 969 . . 127 VAL HB . 18943 1 1055 . 1 1 99 99 VAL HG11 H 1 0.909 0.01 . 2 . 973 . . 127 VAL HG11 . 18943 1 1056 . 1 1 99 99 VAL HG12 H 1 0.909 0.01 . 2 . 973 . . 127 VAL HG12 . 18943 1 1057 . 1 1 99 99 VAL HG13 H 1 0.909 0.01 . 2 . 973 . . 127 VAL HG13 . 18943 1 1058 . 1 1 99 99 VAL HG21 H 1 1.225 0.01 . 2 . 971 . . 127 VAL HG21 . 18943 1 1059 . 1 1 99 99 VAL HG22 H 1 1.225 0.01 . 2 . 971 . . 127 VAL HG22 . 18943 1 1060 . 1 1 99 99 VAL HG23 H 1 1.225 0.01 . 2 . 971 . . 127 VAL HG23 . 18943 1 1061 . 1 1 99 99 VAL C C 13 176.010 0.1 . 1 . 974 . . 127 VAL C . 18943 1 1062 . 1 1 99 99 VAL CA C 13 63.549 0.1 . 1 . 966 . . 127 VAL CA . 18943 1 1063 . 1 1 99 99 VAL CB C 13 31.969 0.1 . 1 . 968 . . 127 VAL CB . 18943 1 1064 . 1 1 99 99 VAL CG1 C 13 21.524 0.1 . 2 . 972 . . 127 VAL CG1 . 18943 1 1065 . 1 1 99 99 VAL CG2 C 13 21.677 0.1 . 2 . 970 . . 127 VAL CG2 . 18943 1 1066 . 1 1 99 99 VAL N N 15 122.941 0.1 . 1 . 964 . . 127 VAL N . 18943 1 1067 . 1 1 100 100 ILE H H 1 9.296 0.01 . 1 . 976 . . 128 ILE H . 18943 1 1068 . 1 1 100 100 ILE HA H 1 5.461 0.01 . 1 . 978 . . 128 ILE HA . 18943 1 1069 . 1 1 100 100 ILE HB H 1 1.607 0.01 . 1 . 980 . . 128 ILE HB . 18943 1 1070 . 1 1 100 100 ILE HG12 H 1 0.835 0.01 . 2 . 983 . . 128 ILE HG12 . 18943 1 1071 . 1 1 100 100 ILE HG13 H 1 1.372 0.01 . 2 . 982 . . 128 ILE HG13 . 18943 1 1072 . 1 1 100 100 ILE HG21 H 1 0.737 0.01 . 1 . 987 . . 128 ILE HG21 . 18943 1 1073 . 1 1 100 100 ILE HG22 H 1 0.737 0.01 . 1 . 987 . . 128 ILE HG22 . 18943 1 1074 . 1 1 100 100 ILE HG23 H 1 0.737 0.01 . 1 . 987 . . 128 ILE HG23 . 18943 1 1075 . 1 1 100 100 ILE HD11 H 1 0.450 0.01 . 1 . 985 . . 128 ILE HD11 . 18943 1 1076 . 1 1 100 100 ILE HD12 H 1 0.450 0.01 . 1 . 985 . . 128 ILE HD12 . 18943 1 1077 . 1 1 100 100 ILE HD13 H 1 0.450 0.01 . 1 . 985 . . 128 ILE HD13 . 18943 1 1078 . 1 1 100 100 ILE C C 13 172.934 0.1 . 1 . 988 . . 128 ILE C . 18943 1 1079 . 1 1 100 100 ILE CA C 13 58.940 0.1 . 1 . 977 . . 128 ILE CA . 18943 1 1080 . 1 1 100 100 ILE CB C 13 42.489 0.1 . 1 . 979 . . 128 ILE CB . 18943 1 1081 . 1 1 100 100 ILE CG1 C 13 26.358 0.1 . 1 . 981 . . 128 ILE CG1 . 18943 1 1082 . 1 1 100 100 ILE CG2 C 13 18.077 0.1 . 1 . 986 . . 128 ILE CG2 . 18943 1 1083 . 1 1 100 100 ILE CD1 C 13 14.599 0.1 . 1 . 984 . . 128 ILE CD1 . 18943 1 1084 . 1 1 100 100 ILE N N 15 122.418 0.1 . 1 . 975 . . 128 ILE N . 18943 1 1085 . 1 1 101 101 LYS H H 1 8.760 0.01 . 1 . 990 . . 129 LYS H . 18943 1 1086 . 1 1 101 101 LYS HA H 1 4.841 0.01 . 1 . 992 . . 129 LYS HA . 18943 1 1087 . 1 1 101 101 LYS HB2 H 1 0.816 0.01 . 2 . 995 . . 129 LYS HB2 . 18943 1 1088 . 1 1 101 101 LYS HB3 H 1 1.420 0.01 . 2 . 994 . . 129 LYS HB3 . 18943 1 1089 . 1 1 101 101 LYS HG2 H 1 0.016 0.01 . 2 . 998 . . 129 LYS HG2 . 18943 1 1090 . 1 1 101 101 LYS HG3 H 1 0.616 0.01 . 2 . 997 . . 129 LYS HG3 . 18943 1 1091 . 1 1 101 101 LYS HD2 H 1 1.243 0.01 . 2 . 1001 . . 129 LYS HD2 . 18943 1 1092 . 1 1 101 101 LYS HD3 H 1 1.329 0.01 . 2 . 1000 . . 129 LYS HD3 . 18943 1 1093 . 1 1 101 101 LYS HE2 H 1 2.538 0.01 . 2 . 1004 . . 129 LYS HE2 . 18943 1 1094 . 1 1 101 101 LYS HE3 H 1 2.654 0.01 . 2 . 1003 . . 129 LYS HE3 . 18943 1 1095 . 1 1 101 101 LYS C C 13 175.442 0.1 . 1 . 1005 . . 129 LYS C . 18943 1 1096 . 1 1 101 101 LYS CA C 13 54.789 0.1 . 1 . 991 . . 129 LYS CA . 18943 1 1097 . 1 1 101 101 LYS CB C 13 34.778 0.1 . 1 . 993 . . 129 LYS CB . 18943 1 1098 . 1 1 101 101 LYS CG C 13 24.759 0.1 . 1 . 996 . . 129 LYS CG . 18943 1 1099 . 1 1 101 101 LYS CD C 13 29.665 0.1 . 1 . 999 . . 129 LYS CD . 18943 1 1100 . 1 1 101 101 LYS CE C 13 41.838 0.1 . 1 . 1002 . . 129 LYS CE . 18943 1 1101 . 1 1 101 101 LYS N N 15 123.056 0.1 . 1 . 989 . . 129 LYS N . 18943 1 1102 . 1 1 102 102 VAL H H 1 8.984 0.01 . 1 . 1007 . . 130 VAL H . 18943 1 1103 . 1 1 102 102 VAL HA H 1 4.245 0.01 . 1 . 1009 . . 130 VAL HA . 18943 1 1104 . 1 1 102 102 VAL HB H 1 1.837 0.01 . 1 . 1011 . . 130 VAL HB . 18943 1 1105 . 1 1 102 102 VAL HG11 H 1 0.616 0.01 . 2 . 1015 . . 130 VAL HG11 . 18943 1 1106 . 1 1 102 102 VAL HG12 H 1 0.616 0.01 . 2 . 1015 . . 130 VAL HG12 . 18943 1 1107 . 1 1 102 102 VAL HG13 H 1 0.616 0.01 . 2 . 1015 . . 130 VAL HG13 . 18943 1 1108 . 1 1 102 102 VAL HG21 H 1 0.849 0.01 . 2 . 1013 . . 130 VAL HG21 . 18943 1 1109 . 1 1 102 102 VAL HG22 H 1 0.849 0.01 . 2 . 1013 . . 130 VAL HG22 . 18943 1 1110 . 1 1 102 102 VAL HG23 H 1 0.849 0.01 . 2 . 1013 . . 130 VAL HG23 . 18943 1 1111 . 1 1 102 102 VAL C C 13 176.415 0.1 . 1 . 1016 . . 130 VAL C . 18943 1 1112 . 1 1 102 102 VAL CA C 13 61.080 0.1 . 1 . 1008 . . 130 VAL CA . 18943 1 1113 . 1 1 102 102 VAL CB C 13 34.987 0.1 . 1 . 1010 . . 130 VAL CB . 18943 1 1114 . 1 1 102 102 VAL CG1 C 13 20.907 0.1 . 2 . 1014 . . 130 VAL CG1 . 18943 1 1115 . 1 1 102 102 VAL CG2 C 13 20.697 0.1 . 2 . 1012 . . 130 VAL CG2 . 18943 1 1116 . 1 1 102 102 VAL N N 15 125.304 0.1 . 1 . 1006 . . 130 VAL N . 18943 1 1117 . 1 1 103 103 ASP H H 1 9.447 0.01 . 1 . 1018 . . 131 ASP H . 18943 1 1118 . 1 1 103 103 ASP HA H 1 4.280 0.01 . 1 . 1020 . . 131 ASP HA . 18943 1 1119 . 1 1 103 103 ASP HB2 H 1 2.571 0.01 . 2 . 1023 . . 131 ASP HB2 . 18943 1 1120 . 1 1 103 103 ASP HB3 H 1 2.990 0.01 . 2 . 1022 . . 131 ASP HB3 . 18943 1 1121 . 1 1 103 103 ASP C C 13 175.935 0.1 . 1 . 1024 . . 131 ASP C . 18943 1 1122 . 1 1 103 103 ASP CA C 13 55.290 0.1 . 1 . 1019 . . 131 ASP CA . 18943 1 1123 . 1 1 103 103 ASP CB C 13 39.942 0.1 . 1 . 1021 . . 131 ASP CB . 18943 1 1124 . 1 1 103 103 ASP N N 15 129.986 0.1 . 1 . 1017 . . 131 ASP N . 18943 1 1125 . 1 1 104 104 GLY H H 1 8.484 0.01 . 1 . 1026 . . 132 GLY H . 18943 1 1126 . 1 1 104 104 GLY HA2 H 1 3.384 0.01 . 2 . 1029 . . 132 GLY HA2 . 18943 1 1127 . 1 1 104 104 GLY HA3 H 1 4.179 0.01 . 2 . 1028 . . 132 GLY HA3 . 18943 1 1128 . 1 1 104 104 GLY C C 13 172.967 0.1 . 1 . 1030 . . 132 GLY C . 18943 1 1129 . 1 1 104 104 GLY CA C 13 45.467 0.1 . 1 . 1027 . . 132 GLY CA . 18943 1 1130 . 1 1 104 104 GLY N N 15 102.004 0.1 . 1 . 1025 . . 132 GLY N . 18943 1 1131 . 1 1 105 105 LYS H H 1 7.650 0.01 . 1 . 1032 . . 133 LYS H . 18943 1 1132 . 1 1 105 105 LYS HA H 1 4.553 0.01 . 1 . 1034 . . 133 LYS HA . 18943 1 1133 . 1 1 105 105 LYS HB2 H 1 1.608 0.01 . 2 . 1037 . . 133 LYS HB2 . 18943 1 1134 . 1 1 105 105 LYS HB3 H 1 1.669 0.01 . 2 . 1036 . . 133 LYS HB3 . 18943 1 1135 . 1 1 105 105 LYS HG2 H 1 1.145 0.01 . 2 . 1040 . . 133 LYS HG2 . 18943 1 1136 . 1 1 105 105 LYS HG3 H 1 1.368 0.01 . 2 . 1039 . . 133 LYS HG3 . 18943 1 1137 . 1 1 105 105 LYS HD2 H 1 1.679 0.01 . 1 . 1043 . . 133 LYS HD2 . 18943 1 1138 . 1 1 105 105 LYS HD3 H 1 1.679 0.01 . 1 . 1042 . . 133 LYS HD3 . 18943 1 1139 . 1 1 105 105 LYS HE2 H 1 2.970 0.01 . 1 . 1046 . . 133 LYS HE2 . 18943 1 1140 . 1 1 105 105 LYS HE3 H 1 2.970 0.01 . 1 . 1045 . . 133 LYS HE3 . 18943 1 1141 . 1 1 105 105 LYS C C 13 173.826 0.1 . 1 . 1047 . . 133 LYS C . 18943 1 1142 . 1 1 105 105 LYS CA C 13 54.683 0.1 . 1 . 1033 . . 133 LYS CA . 18943 1 1143 . 1 1 105 105 LYS CB C 13 35.407 0.1 . 1 . 1035 . . 133 LYS CB . 18943 1 1144 . 1 1 105 105 LYS CG C 13 25.150 0.1 . 1 . 1038 . . 133 LYS CG . 18943 1 1145 . 1 1 105 105 LYS CD C 13 29.118 0.1 . 1 . 1041 . . 133 LYS CD . 18943 1 1146 . 1 1 105 105 LYS CE C 13 42.377 0.1 . 1 . 1044 . . 133 LYS CE . 18943 1 1147 . 1 1 105 105 LYS N N 15 121.772 0.1 . 1 . 1031 . . 133 LYS N . 18943 1 1148 . 1 1 106 106 TYR H H 1 8.114 0.01 . 1 . 1049 . . 134 TYR H . 18943 1 1149 . 1 1 106 106 TYR HA H 1 5.225 0.01 . 1 . 1051 . . 134 TYR HA . 18943 1 1150 . 1 1 106 106 TYR HB2 H 1 2.560 0.01 . 2 . 1054 . . 134 TYR HB2 . 18943 1 1151 . 1 1 106 106 TYR HB3 H 1 2.715 0.01 . 2 . 1053 . . 134 TYR HB3 . 18943 1 1152 . 1 1 106 106 TYR HD1 H 1 6.987 0.01 . 3 . 1057 . . 134 TYR HD1 . 18943 1 1153 . 1 1 106 106 TYR HD2 H 1 6.987 0.01 . 3 . 1058 . . 134 TYR HD2 . 18943 1 1154 . 1 1 106 106 TYR HE1 H 1 6.706 0.01 . 3 . 1061 . . 134 TYR HE1 . 18943 1 1155 . 1 1 106 106 TYR HE2 H 1 6.706 0.01 . 3 . 1062 . . 134 TYR HE2 . 18943 1 1156 . 1 1 106 106 TYR C C 13 175.828 0.1 . 1 . 1063 . . 134 TYR C . 18943 1 1157 . 1 1 106 106 TYR CA C 13 58.465 0.1 . 1 . 1050 . . 134 TYR CA . 18943 1 1158 . 1 1 106 106 TYR CB C 13 41.658 0.1 . 1 . 1052 . . 134 TYR CB . 18943 1 1159 . 1 1 106 106 TYR CD1 C 13 133.896 0.1 . 3 . 1055 . . 134 TYR CD1 . 18943 1 1160 . 1 1 106 106 TYR CD2 C 13 133.896 0.1 . 3 . 1056 . . 134 TYR CD2 . 18943 1 1161 . 1 1 106 106 TYR CE1 C 13 117.438 0.1 . 3 . 1059 . . 134 TYR CE1 . 18943 1 1162 . 1 1 106 106 TYR CE2 C 13 117.438 0.1 . 3 . 1060 . . 134 TYR CE2 . 18943 1 1163 . 1 1 106 106 TYR N N 15 120.450 0.1 . 1 . 1048 . . 134 TYR N . 18943 1 1164 . 1 1 107 107 TYR H H 1 9.131 0.01 . 1 . 1065 . . 135 TYR H . 18943 1 1165 . 1 1 107 107 TYR HA H 1 5.217 0.01 . 1 . 1067 . . 135 TYR HA . 18943 1 1166 . 1 1 107 107 TYR HB2 H 1 2.305 0.01 . 2 . 1070 . . 135 TYR HB2 . 18943 1 1167 . 1 1 107 107 TYR HB3 H 1 3.182 0.01 . 2 . 1069 . . 135 TYR HB3 . 18943 1 1168 . 1 1 107 107 TYR HD1 H 1 6.837 0.01 . 3 . 1077 . . 135 TYR HD1 . 18943 1 1169 . 1 1 107 107 TYR HD2 H 1 6.837 0.01 . 3 . 1078 . . 135 TYR HD2 . 18943 1 1170 . 1 1 107 107 TYR HE1 H 1 6.775 0.01 . 3 . 1071 . . 135 TYR HE1 . 18943 1 1171 . 1 1 107 107 TYR HE2 H 1 6.775 0.01 . 3 . 1072 . . 135 TYR HE2 . 18943 1 1172 . 1 1 107 107 TYR C C 13 174.687 0.1 . 1 . 1079 . . 135 TYR C . 18943 1 1173 . 1 1 107 107 TYR CA C 13 55.657 0.1 . 1 . 1066 . . 135 TYR CA . 18943 1 1174 . 1 1 107 107 TYR CB C 13 43.970 0.1 . 1 . 1068 . . 135 TYR CB . 18943 1 1175 . 1 1 107 107 TYR CD1 C 13 134.255 0.1 . 3 . 1075 . . 135 TYR CD1 . 18943 1 1176 . 1 1 107 107 TYR CD2 C 13 134.255 0.1 . 3 . 1076 . . 135 TYR CD2 . 18943 1 1177 . 1 1 107 107 TYR CE1 C 13 118.716 0.1 . 3 . 1073 . . 135 TYR CE1 . 18943 1 1178 . 1 1 107 107 TYR CE2 C 13 118.716 0.1 . 3 . 1074 . . 135 TYR CE2 . 18943 1 1179 . 1 1 107 107 TYR N N 15 116.434 0.1 . 1 . 1064 . . 135 TYR N . 18943 1 1180 . 1 1 108 108 VAL H H 1 8.556 0.01 . 1 . 1081 . . 136 VAL H . 18943 1 1181 . 1 1 108 108 VAL HA H 1 4.902 0.01 . 1 . 1083 . . 136 VAL HA . 18943 1 1182 . 1 1 108 108 VAL HB H 1 1.554 0.01 . 1 . 1085 . . 136 VAL HB . 18943 1 1183 . 1 1 108 108 VAL HG11 H 1 0.713 0.01 . 2 . 1089 . . 136 VAL HG11 . 18943 1 1184 . 1 1 108 108 VAL HG12 H 1 0.713 0.01 . 2 . 1089 . . 136 VAL HG12 . 18943 1 1185 . 1 1 108 108 VAL HG13 H 1 0.713 0.01 . 2 . 1089 . . 136 VAL HG13 . 18943 1 1186 . 1 1 108 108 VAL HG21 H 1 0.828 0.01 . 2 . 1087 . . 136 VAL HG21 . 18943 1 1187 . 1 1 108 108 VAL HG22 H 1 0.828 0.01 . 2 . 1087 . . 136 VAL HG22 . 18943 1 1188 . 1 1 108 108 VAL HG23 H 1 0.828 0.01 . 2 . 1087 . . 136 VAL HG23 . 18943 1 1189 . 1 1 108 108 VAL C C 13 173.725 0.1 . 1 . 1090 . . 136 VAL C . 18943 1 1190 . 1 1 108 108 VAL CA C 13 61.281 0.1 . 1 . 1082 . . 136 VAL CA . 18943 1 1191 . 1 1 108 108 VAL CB C 13 34.003 0.1 . 1 . 1084 . . 136 VAL CB . 18943 1 1192 . 1 1 108 108 VAL CG1 C 13 21.393 0.1 . 2 . 1088 . . 136 VAL CG1 . 18943 1 1193 . 1 1 108 108 VAL CG2 C 13 21.562 0.1 . 2 . 1086 . . 136 VAL CG2 . 18943 1 1194 . 1 1 108 108 VAL N N 15 117.508 0.1 . 1 . 1080 . . 136 VAL N . 18943 1 1195 . 1 1 109 109 TYR H H 1 9.524 0.01 . 1 . 1092 . . 137 TYR H . 18943 1 1196 . 1 1 109 109 TYR HA H 1 4.917 0.01 . 1 . 1094 . . 137 TYR HA . 18943 1 1197 . 1 1 109 109 TYR HB2 H 1 2.659 0.01 . 2 . 1097 . . 137 TYR HB2 . 18943 1 1198 . 1 1 109 109 TYR HB3 H 1 3.082 0.01 . 2 . 1096 . . 137 TYR HB3 . 18943 1 1199 . 1 1 109 109 TYR HD1 H 1 7.020 0.01 . 3 . 1104 . . 137 TYR HD1 . 18943 1 1200 . 1 1 109 109 TYR HD2 H 1 7.020 0.01 . 3 . 1105 . . 137 TYR HD2 . 18943 1 1201 . 1 1 109 109 TYR HE1 H 1 6.952 0.01 . 3 . 1100 . . 137 TYR HE1 . 18943 1 1202 . 1 1 109 109 TYR HE2 H 1 6.952 0.01 . 3 . 1101 . . 137 TYR HE2 . 18943 1 1203 . 1 1 109 109 TYR C C 13 173.920 0.1 . 1 . 1106 . . 137 TYR C . 18943 1 1204 . 1 1 109 109 TYR CA C 13 56.253 0.1 . 1 . 1093 . . 137 TYR CA . 18943 1 1205 . 1 1 109 109 TYR CB C 13 42.122 0.1 . 1 . 1095 . . 137 TYR CB . 18943 1 1206 . 1 1 109 109 TYR CD1 C 13 133.820 0.1 . 3 . 1102 . . 137 TYR CD1 . 18943 1 1207 . 1 1 109 109 TYR CD2 C 13 133.820 0.1 . 3 . 1103 . . 137 TYR CD2 . 18943 1 1208 . 1 1 109 109 TYR CE1 C 13 119.155 0.1 . 3 . 1098 . . 137 TYR CE1 . 18943 1 1209 . 1 1 109 109 TYR CE2 C 13 119.155 0.1 . 3 . 1099 . . 137 TYR CE2 . 18943 1 1210 . 1 1 109 109 TYR N N 15 129.003 0.1 . 1 . 1091 . . 137 TYR N . 18943 1 1211 . 1 1 110 110 LEU H H 1 8.090 0.01 . 1 . 1108 . . 138 LEU H . 18943 1 1212 . 1 1 110 110 LEU HA H 1 4.718 0.01 . 1 . 1110 . . 138 LEU HA . 18943 1 1213 . 1 1 110 110 LEU HB2 H 1 1.195 0.01 . 2 . 1113 . . 138 LEU HB2 . 18943 1 1214 . 1 1 110 110 LEU HB3 H 1 1.352 0.01 . 2 . 1112 . . 138 LEU HB3 . 18943 1 1215 . 1 1 110 110 LEU HG H 1 1.381 0.01 . 1 . 1115 . . 138 LEU HG . 18943 1 1216 . 1 1 110 110 LEU HD11 H 1 0.652 0.01 . 2 . 1117 . . 138 LEU HD11 . 18943 1 1217 . 1 1 110 110 LEU HD12 H 1 0.652 0.01 . 2 . 1117 . . 138 LEU HD12 . 18943 1 1218 . 1 1 110 110 LEU HD13 H 1 0.652 0.01 . 2 . 1117 . . 138 LEU HD13 . 18943 1 1219 . 1 1 110 110 LEU HD21 H 1 0.766 0.01 . 2 . 1119 . . 138 LEU HD21 . 18943 1 1220 . 1 1 110 110 LEU HD22 H 1 0.766 0.01 . 2 . 1119 . . 138 LEU HD22 . 18943 1 1221 . 1 1 110 110 LEU HD23 H 1 0.766 0.01 . 2 . 1119 . . 138 LEU HD23 . 18943 1 1222 . 1 1 110 110 LEU C C 13 176.603 0.1 . 1 . 1120 . . 138 LEU C . 18943 1 1223 . 1 1 110 110 LEU CA C 13 53.000 0.1 . 1 . 1109 . . 138 LEU CA . 18943 1 1224 . 1 1 110 110 LEU CB C 13 43.119 0.1 . 1 . 1111 . . 138 LEU CB . 18943 1 1225 . 1 1 110 110 LEU CG C 13 26.601 0.1 . 1 . 1114 . . 138 LEU CG . 18943 1 1226 . 1 1 110 110 LEU CD1 C 13 22.753 0.1 . 2 . 1116 . . 138 LEU CD1 . 18943 1 1227 . 1 1 110 110 LEU CD2 C 13 26.460 0.1 . 2 . 1118 . . 138 LEU CD2 . 18943 1 1228 . 1 1 110 110 LEU N N 15 126.743 0.1 . 1 . 1107 . . 138 LEU N . 18943 1 1229 . 1 1 111 111 LYS H H 1 8.207 0.01 . 1 . 1122 . . 139 LYS H . 18943 1 1230 . 1 1 111 111 LYS HA H 1 3.976 0.01 . 1 . 1124 . . 139 LYS HA . 18943 1 1231 . 1 1 111 111 LYS HB2 H 1 1.707 0.01 . 2 . 1127 . . 139 LYS HB2 . 18943 1 1232 . 1 1 111 111 LYS HB3 H 1 1.887 0.01 . 2 . 1126 . . 139 LYS HB3 . 18943 1 1233 . 1 1 111 111 LYS HG2 H 1 1.464 0.01 . 2 . 1130 . . 139 LYS HG2 . 18943 1 1234 . 1 1 111 111 LYS HG3 H 1 1.624 0.01 . 2 . 1129 . . 139 LYS HG3 . 18943 1 1235 . 1 1 111 111 LYS HD2 H 1 1.716 0.01 . 2 . 1133 . . 139 LYS HD2 . 18943 1 1236 . 1 1 111 111 LYS HD3 H 1 1.796 0.01 . 2 . 1132 . . 139 LYS HD3 . 18943 1 1237 . 1 1 111 111 LYS C C 13 176.899 0.1 . 1 . 1135 . . 139 LYS C . 18943 1 1238 . 1 1 111 111 LYS CA C 13 58.739 0.1 . 1 . 1123 . . 139 LYS CA . 18943 1 1239 . 1 1 111 111 LYS CB C 13 32.568 0.1 . 1 . 1125 . . 139 LYS CB . 18943 1 1240 . 1 1 111 111 LYS CG C 13 25.828 0.1 . 1 . 1128 . . 139 LYS CG . 18943 1 1241 . 1 1 111 111 LYS CD C 13 29.784 0.1 . 1 . 1131 . . 139 LYS CD . 18943 1 1242 . 1 1 111 111 LYS CE C 13 42.174 0.1 . 1 . 1134 . . 139 LYS CE . 18943 1 1243 . 1 1 111 111 LYS N N 15 121.381 0.1 . 1 . 1121 . . 139 LYS N . 18943 1 1244 . 1 1 112 112 ASP H H 1 8.516 0.01 . 1 . 1137 . . 140 ASP H . 18943 1 1245 . 1 1 112 112 ASP HA H 1 4.759 0.01 . 1 . 1139 . . 140 ASP HA . 18943 1 1246 . 1 1 112 112 ASP HB2 H 1 2.491 0.01 . 2 . 1142 . . 140 ASP HB2 . 18943 1 1247 . 1 1 112 112 ASP HB3 H 1 2.758 0.01 . 2 . 1141 . . 140 ASP HB3 . 18943 1 1248 . 1 1 112 112 ASP C C 13 175.999 0.1 . 1 . 1143 . . 140 ASP C . 18943 1 1249 . 1 1 112 112 ASP CA C 13 52.447 0.1 . 1 . 1138 . . 140 ASP CA . 18943 1 1250 . 1 1 112 112 ASP CB C 13 40.823 0.1 . 1 . 1140 . . 140 ASP CB . 18943 1 1251 . 1 1 112 112 ASP N N 15 117.867 0.1 . 1 . 1136 . . 140 ASP N . 18943 1 1252 . 1 1 113 113 ALA H H 1 8.548 0.01 . 1 . 1145 . . 141 ALA H . 18943 1 1253 . 1 1 113 113 ALA HA H 1 3.885 0.01 . 1 . 1147 . . 141 ALA HA . 18943 1 1254 . 1 1 113 113 ALA HB1 H 1 1.376 0.01 . 1 . 1149 . . 141 ALA HB1 . 18943 1 1255 . 1 1 113 113 ALA HB2 H 1 1.376 0.01 . 1 . 1149 . . 141 ALA HB2 . 18943 1 1256 . 1 1 113 113 ALA HB3 H 1 1.376 0.01 . 1 . 1149 . . 141 ALA HB3 . 18943 1 1257 . 1 1 113 113 ALA C C 13 178.357 0.1 . 1 . 1150 . . 141 ALA C . 18943 1 1258 . 1 1 113 113 ALA CA C 13 54.421 0.1 . 1 . 1146 . . 141 ALA CA . 18943 1 1259 . 1 1 113 113 ALA CB C 13 18.511 0.1 . 1 . 1148 . . 141 ALA CB . 18943 1 1260 . 1 1 113 113 ALA N N 15 125.961 0.1 . 1 . 1144 . . 141 ALA N . 18943 1 1261 . 1 1 114 114 ALA H H 1 8.081 0.01 . 1 . 1152 . . 142 ALA H . 18943 1 1262 . 1 1 114 114 ALA HA H 1 4.059 0.01 . 1 . 1154 . . 142 ALA HA . 18943 1 1263 . 1 1 114 114 ALA HB1 H 1 1.158 0.01 . 1 . 1156 . . 142 ALA HB1 . 18943 1 1264 . 1 1 114 114 ALA HB2 H 1 1.158 0.01 . 1 . 1156 . . 142 ALA HB2 . 18943 1 1265 . 1 1 114 114 ALA HB3 H 1 1.158 0.01 . 1 . 1156 . . 142 ALA HB3 . 18943 1 1266 . 1 1 114 114 ALA C C 13 178.075 0.1 . 1 . 1157 . . 142 ALA C . 18943 1 1267 . 1 1 114 114 ALA CA C 13 53.525 0.1 . 1 . 1153 . . 142 ALA CA . 18943 1 1268 . 1 1 114 114 ALA CB C 13 18.406 0.1 . 1 . 1155 . . 142 ALA CB . 18943 1 1269 . 1 1 114 114 ALA N N 15 117.718 0.1 . 1 . 1151 . . 142 ALA N . 18943 1 1270 . 1 1 115 115 HIS H H 1 7.439 0.01 . 1 . 1159 . . 143 HIS H . 18943 1 1271 . 1 1 115 115 HIS HA H 1 4.815 0.01 . 1 . 1161 . . 143 HIS HA . 18943 1 1272 . 1 1 115 115 HIS HB2 H 1 2.903 0.01 . 2 . 1164 . . 143 HIS HB2 . 18943 1 1273 . 1 1 115 115 HIS HB3 H 1 3.447 0.01 . 2 . 1163 . . 143 HIS HB3 . 18943 1 1274 . 1 1 115 115 HIS HD2 H 1 7.284 0.01 . 1 . 1165 . . 143 HIS HD2 . 18943 1 1275 . 1 1 115 115 HIS HE1 H 1 8.418 0.01 . 1 . 1167 . . 143 HIS HE1 . 18943 1 1276 . 1 1 115 115 HIS C C 13 173.536 0.1 . 1 . 1169 . . 143 HIS C . 18943 1 1277 . 1 1 115 115 HIS CA C 13 54.747 0.1 . 1 . 1160 . . 143 HIS CA . 18943 1 1278 . 1 1 115 115 HIS CB C 13 28.626 0.1 . 1 . 1162 . . 143 HIS CB . 18943 1 1279 . 1 1 115 115 HIS N N 15 114.113 0.1 . 1 . 1158 . . 143 HIS N . 18943 1 1280 . 1 1 115 115 HIS ND1 N 15 184.360 0.1 . 1 . 1168 . . 143 HIS ND1 . 18943 1 1281 . 1 1 115 115 HIS NE2 N 15 174.785 0.1 . 1 . 1166 . . 143 HIS NE2 . 18943 1 1282 . 1 1 116 116 ALA H H 1 7.534 0.01 . 1 . 1171 . . 144 ALA H . 18943 1 1283 . 1 1 116 116 ALA HA H 1 4.465 0.01 . 1 . 1173 . . 144 ALA HA . 18943 1 1284 . 1 1 116 116 ALA HB1 H 1 1.431 0.01 . 1 . 1175 . . 144 ALA HB1 . 18943 1 1285 . 1 1 116 116 ALA HB2 H 1 1.431 0.01 . 1 . 1175 . . 144 ALA HB2 . 18943 1 1286 . 1 1 116 116 ALA HB3 H 1 1.431 0.01 . 1 . 1175 . . 144 ALA HB3 . 18943 1 1287 . 1 1 116 116 ALA C C 13 177.663 0.1 . 1 . 1176 . . 144 ALA C . 18943 1 1288 . 1 1 116 116 ALA CA C 13 52.190 0.1 . 1 . 1172 . . 144 ALA CA . 18943 1 1289 . 1 1 116 116 ALA CB C 13 19.857 0.1 . 1 . 1174 . . 144 ALA CB . 18943 1 1290 . 1 1 116 116 ALA N N 15 125.108 0.1 . 1 . 1170 . . 144 ALA N . 18943 1 1291 . 1 1 117 117 ASP H H 1 8.446 0.01 . 1 . 1178 . . 145 ASP H . 18943 1 1292 . 1 1 117 117 ASP HA H 1 4.609 0.01 . 1 . 1180 . . 145 ASP HA . 18943 1 1293 . 1 1 117 117 ASP HB2 H 1 2.662 0.01 . 2 . 1183 . . 145 ASP HB2 . 18943 1 1294 . 1 1 117 117 ASP HB3 H 1 2.810 0.01 . 2 . 1182 . . 145 ASP HB3 . 18943 1 1295 . 1 1 117 117 ASP C C 13 176.888 0.1 . 1 . 1184 . . 145 ASP C . 18943 1 1296 . 1 1 117 117 ASP CA C 13 54.789 0.1 . 1 . 1179 . . 145 ASP CA . 18943 1 1297 . 1 1 117 117 ASP CB C 13 40.788 0.1 . 1 . 1181 . . 145 ASP CB . 18943 1 1298 . 1 1 117 117 ASP N N 15 120.300 0.1 . 1 . 1177 . . 145 ASP N . 18943 1 1299 . 1 1 118 118 ASN H H 1 9.057 0.01 . 1 . 1186 . . 146 ASN H . 18943 1 1300 . 1 1 118 118 ASN HA H 1 4.614 0.01 . 1 . 1188 . . 146 ASN HA . 18943 1 1301 . 1 1 118 118 ASN HB2 H 1 2.753 0.01 . 2 . 1191 . . 146 ASN HB2 . 18943 1 1302 . 1 1 118 118 ASN HB3 H 1 3.358 0.01 . 2 . 1190 . . 146 ASN HB3 . 18943 1 1303 . 1 1 118 118 ASN HD21 H 1 6.441 0.01 . 1 . 1193 . . 146 ASN HD21 . 18943 1 1304 . 1 1 118 118 ASN HD22 H 1 8.119 0.01 . 1 . 1194 . . 146 ASN HD22 . 18943 1 1305 . 1 1 118 118 ASN C C 13 172.461 0.1 . 1 . 1195 . . 146 ASN C . 18943 1 1306 . 1 1 118 118 ASN CA C 13 52.682 0.1 . 1 . 1187 . . 146 ASN CA . 18943 1 1307 . 1 1 118 118 ASN CB C 13 36.020 0.1 . 1 . 1189 . . 146 ASN CB . 18943 1 1308 . 1 1 118 118 ASN N N 15 116.128 0.1 . 1 . 1185 . . 146 ASN N . 18943 1 1309 . 1 1 118 118 ASN ND2 N 15 110.970 0.1 . 1 . 1192 . . 146 ASN ND2 . 18943 1 1310 . 1 1 119 119 ILE H H 1 7.184 0.01 . 1 . 1197 . . 147 ILE H . 18943 1 1311 . 1 1 119 119 ILE HA H 1 5.376 0.01 . 1 . 1199 . . 147 ILE HA . 18943 1 1312 . 1 1 119 119 ILE HB H 1 1.907 0.01 . 1 . 1201 . . 147 ILE HB . 18943 1 1313 . 1 1 119 119 ILE HG12 H 1 1.286 0.01 . 1 . 1204 . . 147 ILE HG12 . 18943 1 1314 . 1 1 119 119 ILE HG13 H 1 1.286 0.01 . 1 . 1203 . . 147 ILE HG13 . 18943 1 1315 . 1 1 119 119 ILE HG21 H 1 0.824 0.01 . 1 . 1208 . . 147 ILE HG21 . 18943 1 1316 . 1 1 119 119 ILE HG22 H 1 0.824 0.01 . 1 . 1208 . . 147 ILE HG22 . 18943 1 1317 . 1 1 119 119 ILE HG23 H 1 0.824 0.01 . 1 . 1208 . . 147 ILE HG23 . 18943 1 1318 . 1 1 119 119 ILE HD11 H 1 0.618 0.01 . 1 . 1206 . . 147 ILE HD11 . 18943 1 1319 . 1 1 119 119 ILE HD12 H 1 0.618 0.01 . 1 . 1206 . . 147 ILE HD12 . 18943 1 1320 . 1 1 119 119 ILE HD13 H 1 0.618 0.01 . 1 . 1206 . . 147 ILE HD13 . 18943 1 1321 . 1 1 119 119 ILE C C 13 177.656 0.1 . 1 . 1209 . . 147 ILE C . 18943 1 1322 . 1 1 119 119 ILE CA C 13 57.298 0.1 . 1 . 1198 . . 147 ILE CA . 18943 1 1323 . 1 1 119 119 ILE CB C 13 38.335 0.1 . 1 . 1200 . . 147 ILE CB . 18943 1 1324 . 1 1 119 119 ILE CG1 C 13 27.101 0.1 . 1 . 1202 . . 147 ILE CG1 . 18943 1 1325 . 1 1 119 119 ILE CG2 C 13 17.792 0.1 . 1 . 1207 . . 147 ILE CG2 . 18943 1 1326 . 1 1 119 119 ILE CD1 C 13 10.863 0.1 . 1 . 1205 . . 147 ILE CD1 . 18943 1 1327 . 1 1 119 119 ILE N N 15 117.654 0.1 . 1 . 1196 . . 147 ILE N . 18943 1 1328 . 1 1 120 120 ARG H H 1 8.438 0.01 . 1 . 1211 . . 148 ARG H . 18943 1 1329 . 1 1 120 120 ARG HA H 1 5.213 0.01 . 1 . 1213 . . 148 ARG HA . 18943 1 1330 . 1 1 120 120 ARG HB2 H 1 1.476 0.01 . 2 . 1216 . . 148 ARG HB2 . 18943 1 1331 . 1 1 120 120 ARG HB3 H 1 1.554 0.01 . 2 . 1215 . . 148 ARG HB3 . 18943 1 1332 . 1 1 120 120 ARG HG2 H 1 1.278 0.01 . 1 . 1219 . . 148 ARG HG2 . 18943 1 1333 . 1 1 120 120 ARG HG3 H 1 1.278 0.01 . 1 . 1218 . . 148 ARG HG3 . 18943 1 1334 . 1 1 120 120 ARG C C 13 175.436 0.1 . 1 . 1220 . . 148 ARG C . 18943 1 1335 . 1 1 120 120 ARG CA C 13 51.476 0.1 . 1 . 1212 . . 148 ARG CA . 18943 1 1336 . 1 1 120 120 ARG CB C 13 32.131 0.1 . 1 . 1214 . . 148 ARG CB . 18943 1 1337 . 1 1 120 120 ARG CG C 13 27.470 0.1 . 1 . 1217 . . 148 ARG CG . 18943 1 1338 . 1 1 120 120 ARG N N 15 124.835 0.1 . 1 . 1210 . . 148 ARG N . 18943 1 1339 . 1 1 121 121 THR H H 1 8.840 0.01 . 1 . 1222 . . 149 THR H . 18943 1 1340 . 1 1 121 121 THR HA H 1 4.238 0.01 . 1 . 1224 . . 149 THR HA . 18943 1 1341 . 1 1 121 121 THR HB H 1 4.772 0.01 . 1 . 1226 . . 149 THR HB . 18943 1 1342 . 1 1 121 121 THR HG21 H 1 1.350 0.01 . 1 . 1228 . . 149 THR HG21 . 18943 1 1343 . 1 1 121 121 THR HG22 H 1 1.350 0.01 . 1 . 1228 . . 149 THR HG22 . 18943 1 1344 . 1 1 121 121 THR HG23 H 1 1.350 0.01 . 1 . 1228 . . 149 THR HG23 . 18943 1 1345 . 1 1 121 121 THR C C 13 175.410 0.1 . 1 . 1229 . . 149 THR C . 18943 1 1346 . 1 1 121 121 THR CA C 13 60.528 0.1 . 1 . 1223 . . 149 THR CA . 18943 1 1347 . 1 1 121 121 THR CB C 13 71.363 0.1 . 1 . 1225 . . 149 THR CB . 18943 1 1348 . 1 1 121 121 THR CG2 C 13 21.915 0.1 . 1 . 1227 . . 149 THR CG2 . 18943 1 1349 . 1 1 121 121 THR N N 15 113.413 0.1 . 1 . 1221 . . 149 THR N . 18943 1 1350 . 1 1 122 122 LYS H H 1 9.672 0.01 . 1 . 1231 . . 150 LYS H . 18943 1 1351 . 1 1 122 122 LYS HA H 1 4.024 0.01 . 1 . 1233 . . 150 LYS HA . 18943 1 1352 . 1 1 122 122 LYS HB2 H 1 1.834 0.01 . 2 . 1236 . . 150 LYS HB2 . 18943 1 1353 . 1 1 122 122 LYS HB3 H 1 1.882 0.01 . 2 . 1235 . . 150 LYS HB3 . 18943 1 1354 . 1 1 122 122 LYS HG2 H 1 1.544 0.01 . 2 . 1239 . . 150 LYS HG2 . 18943 1 1355 . 1 1 122 122 LYS HG3 H 1 1.619 0.01 . 2 . 1238 . . 150 LYS HG3 . 18943 1 1356 . 1 1 122 122 LYS HD2 H 1 1.735 0.01 . 1 . 1242 . . 150 LYS HD2 . 18943 1 1357 . 1 1 122 122 LYS HD3 H 1 1.735 0.01 . 1 . 1241 . . 150 LYS HD3 . 18943 1 1358 . 1 1 122 122 LYS C C 13 179.395 0.1 . 1 . 1244 . . 150 LYS C . 18943 1 1359 . 1 1 122 122 LYS CA C 13 60.073 0.1 . 1 . 1232 . . 150 LYS CA . 18943 1 1360 . 1 1 122 122 LYS CB C 13 32.019 0.1 . 1 . 1234 . . 150 LYS CB . 18943 1 1361 . 1 1 122 122 LYS CG C 13 25.009 0.1 . 1 . 1237 . . 150 LYS CG . 18943 1 1362 . 1 1 122 122 LYS CD C 13 29.279 0.1 . 1 . 1240 . . 150 LYS CD . 18943 1 1363 . 1 1 122 122 LYS CE C 13 41.832 0.1 . 1 . 1243 . . 150 LYS CE . 18943 1 1364 . 1 1 122 122 LYS N N 15 120.330 0.1 . 1 . 1230 . . 150 LYS N . 18943 1 1365 . 1 1 123 123 GLU H H 1 8.400 0.01 . 1 . 1246 . . 151 GLU H . 18943 1 1366 . 1 1 123 123 GLU HA H 1 4.004 0.01 . 1 . 1248 . . 151 GLU HA . 18943 1 1367 . 1 1 123 123 GLU HB2 H 1 1.966 0.01 . 2 . 1251 . . 151 GLU HB2 . 18943 1 1368 . 1 1 123 123 GLU HB3 H 1 2.074 0.01 . 2 . 1250 . . 151 GLU HB3 . 18943 1 1369 . 1 1 123 123 GLU HG2 H 1 2.290 0.01 . 2 . 1254 . . 151 GLU HG2 . 18943 1 1370 . 1 1 123 123 GLU HG3 H 1 2.413 0.01 . 2 . 1253 . . 151 GLU HG3 . 18943 1 1371 . 1 1 123 123 GLU C C 13 178.515 0.1 . 1 . 1255 . . 151 GLU C . 18943 1 1372 . 1 1 123 123 GLU CA C 13 59.956 0.1 . 1 . 1247 . . 151 GLU CA . 18943 1 1373 . 1 1 123 123 GLU CB C 13 29.009 0.1 . 1 . 1249 . . 151 GLU CB . 18943 1 1374 . 1 1 123 123 GLU CG C 13 36.704 0.1 . 1 . 1252 . . 151 GLU CG . 18943 1 1375 . 1 1 123 123 GLU N N 15 118.839 0.1 . 1 . 1245 . . 151 GLU N . 18943 1 1376 . 1 1 124 124 GLU H H 1 7.895 0.01 . 1 . 1257 . . 152 GLU H . 18943 1 1377 . 1 1 124 124 GLU HA H 1 4.255 0.01 . 1 . 1259 . . 152 GLU HA . 18943 1 1378 . 1 1 124 124 GLU HB2 H 1 1.984 0.01 . 2 . 1262 . . 152 GLU HB2 . 18943 1 1379 . 1 1 124 124 GLU HB3 H 1 2.234 0.01 . 2 . 1261 . . 152 GLU HB3 . 18943 1 1380 . 1 1 124 124 GLU HG2 H 1 2.225 0.01 . 2 . 1265 . . 152 GLU HG2 . 18943 1 1381 . 1 1 124 124 GLU HG3 H 1 2.465 0.01 . 2 . 1264 . . 152 GLU HG3 . 18943 1 1382 . 1 1 124 124 GLU C C 13 178.613 0.1 . 1 . 1266 . . 152 GLU C . 18943 1 1383 . 1 1 124 124 GLU CA C 13 58.543 0.1 . 1 . 1258 . . 152 GLU CA . 18943 1 1384 . 1 1 124 124 GLU CB C 13 29.242 0.1 . 1 . 1260 . . 152 GLU CB . 18943 1 1385 . 1 1 124 124 GLU CG C 13 35.928 0.1 . 1 . 1263 . . 152 GLU CG . 18943 1 1386 . 1 1 124 124 GLU N N 15 123.329 0.1 . 1 . 1256 . . 152 GLU N . 18943 1 1387 . 1 1 125 125 ILE H H 1 8.239 0.01 . 1 . 1268 . . 153 ILE H . 18943 1 1388 . 1 1 125 125 ILE HA H 1 3.380 0.01 . 1 . 1270 . . 153 ILE HA . 18943 1 1389 . 1 1 125 125 ILE HB H 1 1.871 0.01 . 1 . 1272 . . 153 ILE HB . 18943 1 1390 . 1 1 125 125 ILE HG12 H 1 0.877 0.01 . 2 . 1275 . . 153 ILE HG12 . 18943 1 1391 . 1 1 125 125 ILE HG13 H 1 1.822 0.01 . 2 . 1274 . . 153 ILE HG13 . 18943 1 1392 . 1 1 125 125 ILE HG21 H 1 0.903 0.01 . 1 . 1279 . . 153 ILE HG21 . 18943 1 1393 . 1 1 125 125 ILE HG22 H 1 0.903 0.01 . 1 . 1279 . . 153 ILE HG22 . 18943 1 1394 . 1 1 125 125 ILE HG23 H 1 0.903 0.01 . 1 . 1279 . . 153 ILE HG23 . 18943 1 1395 . 1 1 125 125 ILE HD11 H 1 0.890 0.01 . 1 . 1277 . . 153 ILE HD11 . 18943 1 1396 . 1 1 125 125 ILE HD12 H 1 0.890 0.01 . 1 . 1277 . . 153 ILE HD12 . 18943 1 1397 . 1 1 125 125 ILE HD13 H 1 0.890 0.01 . 1 . 1277 . . 153 ILE HD13 . 18943 1 1398 . 1 1 125 125 ILE C C 13 178.367 0.1 . 1 . 1280 . . 153 ILE C . 18943 1 1399 . 1 1 125 125 ILE CA C 13 65.866 0.1 . 1 . 1269 . . 153 ILE CA . 18943 1 1400 . 1 1 125 125 ILE CB C 13 38.714 0.1 . 1 . 1271 . . 153 ILE CB . 18943 1 1401 . 1 1 125 125 ILE CG1 C 13 30.138 0.1 . 1 . 1273 . . 153 ILE CG1 . 18943 1 1402 . 1 1 125 125 ILE CG2 C 13 16.632 0.1 . 1 . 1278 . . 153 ILE CG2 . 18943 1 1403 . 1 1 125 125 ILE CD1 C 13 14.340 0.1 . 1 . 1276 . . 153 ILE CD1 . 18943 1 1404 . 1 1 125 125 ILE N N 15 120.527 0.1 . 1 . 1267 . . 153 ILE N . 18943 1 1405 . 1 1 126 126 LYS H H 1 7.758 0.01 . 1 . 1282 . . 154 LYS H . 18943 1 1406 . 1 1 126 126 LYS HA H 1 3.876 0.01 . 1 . 1284 . . 154 LYS HA . 18943 1 1407 . 1 1 126 126 LYS HB2 H 1 1.881 0.01 . 1 . 1287 . . 154 LYS HB2 . 18943 1 1408 . 1 1 126 126 LYS HB3 H 1 1.881 0.01 . 1 . 1286 . . 154 LYS HB3 . 18943 1 1409 . 1 1 126 126 LYS HG2 H 1 1.534 0.01 . 1 . 1290 . . 154 LYS HG2 . 18943 1 1410 . 1 1 126 126 LYS HG3 H 1 1.534 0.01 . 1 . 1289 . . 154 LYS HG3 . 18943 1 1411 . 1 1 126 126 LYS C C 13 178.925 0.1 . 1 . 1293 . . 154 LYS C . 18943 1 1412 . 1 1 126 126 LYS CA C 13 59.475 0.1 . 1 . 1283 . . 154 LYS CA . 18943 1 1413 . 1 1 126 126 LYS CB C 13 32.319 0.1 . 1 . 1285 . . 154 LYS CB . 18943 1 1414 . 1 1 126 126 LYS CG C 13 25.250 0.1 . 1 . 1288 . . 154 LYS CG . 18943 1 1415 . 1 1 126 126 LYS CD C 13 29.673 0.1 . 1 . 1291 . . 154 LYS CD . 18943 1 1416 . 1 1 126 126 LYS CE C 13 42.188 0.1 . 1 . 1292 . . 154 LYS CE . 18943 1 1417 . 1 1 126 126 LYS N N 15 118.245 0.1 . 1 . 1281 . . 154 LYS N . 18943 1 1418 . 1 1 127 127 ARG H H 1 8.091 0.01 . 1 . 1295 . . 155 ARG H . 18943 1 1419 . 1 1 127 127 ARG HA H 1 3.984 0.01 . 1 . 1297 . . 155 ARG HA . 18943 1 1420 . 1 1 127 127 ARG HB2 H 1 1.948 0.01 . 1 . 1300 . . 155 ARG HB2 . 18943 1 1421 . 1 1 127 127 ARG HB3 H 1 1.948 0.01 . 1 . 1299 . . 155 ARG HB3 . 18943 1 1422 . 1 1 127 127 ARG HG2 H 1 1.548 0.01 . 1 . 1303 . . 155 ARG HG2 . 18943 1 1423 . 1 1 127 127 ARG HG3 H 1 1.548 0.01 . 1 . 1302 . . 155 ARG HG3 . 18943 1 1424 . 1 1 127 127 ARG HD2 H 1 3.115 0.01 . 2 . 1306 . . 155 ARG HD2 . 18943 1 1425 . 1 1 127 127 ARG HD3 H 1 3.304 0.01 . 2 . 1305 . . 155 ARG HD3 . 18943 1 1426 . 1 1 127 127 ARG C C 13 179.462 0.1 . 1 . 1307 . . 155 ARG C . 18943 1 1427 . 1 1 127 127 ARG CA C 13 59.412 0.1 . 1 . 1296 . . 155 ARG CA . 18943 1 1428 . 1 1 127 127 ARG CB C 13 30.246 0.1 . 1 . 1298 . . 155 ARG CB . 18943 1 1429 . 1 1 127 127 ARG CG C 13 27.331 0.1 . 1 . 1301 . . 155 ARG CG . 18943 1 1430 . 1 1 127 127 ARG CD C 13 43.012 0.1 . 1 . 1304 . . 155 ARG CD . 18943 1 1431 . 1 1 127 127 ARG N N 15 120.512 0.1 . 1 . 1294 . . 155 ARG N . 18943 1 1432 . 1 1 128 128 GLN H H 1 7.901 0.01 . 1 . 1309 . . 156 GLN H . 18943 1 1433 . 1 1 128 128 GLN HA H 1 4.039 0.01 . 1 . 1311 . . 156 GLN HA . 18943 1 1434 . 1 1 128 128 GLN HB2 H 1 2.302 0.01 . 1 . 1314 . . 156 GLN HB2 . 18943 1 1435 . 1 1 128 128 GLN HB3 H 1 2.302 0.01 . 1 . 1313 . . 156 GLN HB3 . 18943 1 1436 . 1 1 128 128 GLN HG2 H 1 2.365 0.01 . 2 . 1317 . . 156 GLN HG2 . 18943 1 1437 . 1 1 128 128 GLN HG3 H 1 2.832 0.01 . 2 . 1316 . . 156 GLN HG3 . 18943 1 1438 . 1 1 128 128 GLN HE21 H 1 7.669 0.01 . 1 . 1319 . . 156 GLN HE21 . 18943 1 1439 . 1 1 128 128 GLN HE22 H 1 8.259 0.01 . 1 . 1320 . . 156 GLN HE22 . 18943 1 1440 . 1 1 128 128 GLN C C 13 177.487 0.1 . 1 . 1321 . . 156 GLN C . 18943 1 1441 . 1 1 128 128 GLN CA C 13 59.122 0.1 . 1 . 1310 . . 156 GLN CA . 18943 1 1442 . 1 1 128 128 GLN CB C 13 28.234 0.1 . 1 . 1312 . . 156 GLN CB . 18943 1 1443 . 1 1 128 128 GLN CG C 13 34.717 0.1 . 1 . 1315 . . 156 GLN CG . 18943 1 1444 . 1 1 128 128 GLN N N 15 116.854 0.1 . 1 . 1308 . . 156 GLN N . 18943 1 1445 . 1 1 128 128 GLN NE2 N 15 113.139 0.1 . 1 . 1318 . . 156 GLN NE2 . 18943 1 1446 . 1 1 129 129 LYS H H 1 7.666 0.01 . 1 . 1323 . . 157 LYS H . 18943 1 1447 . 1 1 129 129 LYS HA H 1 3.910 0.01 . 1 . 1325 . . 157 LYS HA . 18943 1 1448 . 1 1 129 129 LYS HB2 H 1 1.782 0.01 . 2 . 1328 . . 157 LYS HB2 . 18943 1 1449 . 1 1 129 129 LYS HB3 H 1 1.842 0.01 . 2 . 1327 . . 157 LYS HB3 . 18943 1 1450 . 1 1 129 129 LYS HG2 H 1 1.447 0.01 . 2 . 1331 . . 157 LYS HG2 . 18943 1 1451 . 1 1 129 129 LYS HG3 H 1 1.611 0.01 . 2 . 1330 . . 157 LYS HG3 . 18943 1 1452 . 1 1 129 129 LYS HD2 H 1 1.603 0.01 . 1 . 1334 . . 157 LYS HD2 . 18943 1 1453 . 1 1 129 129 LYS HD3 H 1 1.603 0.01 . 1 . 1333 . . 157 LYS HD3 . 18943 1 1454 . 1 1 129 129 LYS HE2 H 1 2.893 0.01 . 1 . 1337 . . 157 LYS HE2 . 18943 1 1455 . 1 1 129 129 LYS HE3 H 1 2.893 0.01 . 1 . 1336 . . 157 LYS HE3 . 18943 1 1456 . 1 1 129 129 LYS C C 13 177.184 0.1 . 1 . 1338 . . 157 LYS C . 18943 1 1457 . 1 1 129 129 LYS CA C 13 57.445 0.1 . 1 . 1324 . . 157 LYS CA . 18943 1 1458 . 1 1 129 129 LYS CB C 13 31.538 0.1 . 1 . 1326 . . 157 LYS CB . 18943 1 1459 . 1 1 129 129 LYS CG C 13 23.839 0.1 . 1 . 1329 . . 157 LYS CG . 18943 1 1460 . 1 1 129 129 LYS CD C 13 28.503 0.1 . 1 . 1332 . . 157 LYS CD . 18943 1 1461 . 1 1 129 129 LYS CE C 13 41.885 0.1 . 1 . 1335 . . 157 LYS CE . 18943 1 1462 . 1 1 129 129 LYS N N 15 118.051 0.1 . 1 . 1322 . . 157 LYS N . 18943 1 1463 . 1 1 130 130 GLN H H 1 7.419 0.01 . 1 . 1340 . . 158 GLN H . 18943 1 1464 . 1 1 130 130 GLN HA H 1 4.185 0.01 . 1 . 1342 . . 158 GLN HA . 18943 1 1465 . 1 1 130 130 GLN HB2 H 1 2.040 0.01 . 2 . 1345 . . 158 GLN HB2 . 18943 1 1466 . 1 1 130 130 GLN HB3 H 1 2.188 0.01 . 2 . 1344 . . 158 GLN HB3 . 18943 1 1467 . 1 1 130 130 GLN HG2 H 1 2.383 0.01 . 2 . 1348 . . 158 GLN HG2 . 18943 1 1468 . 1 1 130 130 GLN HG3 H 1 2.447 0.01 . 2 . 1347 . . 158 GLN HG3 . 18943 1 1469 . 1 1 130 130 GLN C C 13 176.362 0.1 . 1 . 1349 . . 158 GLN C . 18943 1 1470 . 1 1 130 130 GLN CA C 13 55.872 0.1 . 1 . 1341 . . 158 GLN CA . 18943 1 1471 . 1 1 130 130 GLN CB C 13 29.259 0.1 . 1 . 1343 . . 158 GLN CB . 18943 1 1472 . 1 1 130 130 GLN CG C 13 33.996 0.1 . 1 . 1346 . . 158 GLN CG . 18943 1 1473 . 1 1 130 130 GLN N N 15 114.864 0.1 . 1 . 1339 . . 158 GLN N . 18943 1 stop_ save_